data_4252 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4252 _Entry.Title ; Triple Resonance Assignment for Abl SH(32) and One in the Complex with a Consolidated Ligand ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-10-19 _Entry.Accession_date 1998-10-19 _Entry.Last_release_date 2007-07-13 _Entry.Original_release_date 2007-07-13 _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 Rong Xu . . . 4252 2 Sean Cahill . . . 4252 3 David Cowburn . . . 4252 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4252 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 407 4252 '15N chemical shifts' 151 4252 '1H chemical shifts' 882 4252 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 . . 2007-07-13 1998-10-19 original author . 4252 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4252 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99356753 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Triple resonance-based assignment for Abl SH(32) and its complex with a consolidated ligand ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 187 _Citation.Page_last 188 _Citation.Year 1999 _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 Rong Xu . . . 4252 1 2 Sean Cahill . . . 4252 1 3 David Cowburn . . . 4252 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Abl_SH(32) 4252 1 consolidated_ligand 4252 1 NMR_assignment 4252 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4252 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 4252 2 2 'C G' Bigam C. G. . 4252 2 3 J Yao J. . . 4252 2 4 F Abildgaard F. . . 4252 2 5 'H J' Dyson H. J. . 4252 2 6 E Oldfield E. . . 4252 2 7 'J L' Markley J. L. . 4252 2 8 'B D' Sykes B. D. . 4252 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_Abl_SH(32)_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode Abl_SH(32)_complex _Assembly.Entry_ID 4252 _Assembly.ID 1 _Assembly.Name 'Abl SH(32) complex' _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 'not present' _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 4252 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 'Abl SH(32)' 1 $Abl_SH(32) . . . native . . . . . 4252 1 2 'consolidated ligand fragment 1' 2 $consolidated_ligand_fragment_1 . . . native . . . . . 4252 1 3 'consolidated ligand fragment 2' 3 $consolidated_ligand_fragment_2 . . . native . . . . . 4252 1 4 'G6-Kamide linker' 4 $G6-Kamide_linker . . . native . . . . . 4252 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2ABL . 'Sh3-Sh2 Domain Fragment Of Human Bcr-Abl Tyrosine Kinase' . . . . 4252 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Abl SH(32) complex' abbreviation 4252 1 'Abl SH(32) complex' system 4252 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Abl_SH(32) _Entity.Sf_category entity _Entity.Sf_framecode Abl_SH(32) _Entity.Entry_ID 4252 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Src homology domain 3 and 2' _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 ; GSPGGSLFVALYDFVASGDN TLSITKGEKLRVLGYNHNGE WAEAQTKNGQGWVPSNYITP VNSLEKHSWYHGPVSRNAAE YLLSSGINGSFLVRESESSP GQRSISLRYEGRVYHYRINT ASDGKLYVSSESRFNTLAEL VHHHSTVADGLITTLHYPAP KRGIRD ; _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 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4251 . "Src homology domain 3 and 2" . . . . . 100.00 166 100.00 100.00 6.35e-116 . . . . 4252 1 2 no PDB 1AB2 . "Three-Dimensional Solution Structure Of The Src Homology 2 Domain Of C-Abl" . . . . . 63.86 109 99.06 99.06 2.02e-65 . . . . 4252 1 3 no PDB 1OPK . "Structural Basis For The Auto-Inhibition Of C-Abl Tyrosine Kinase" . . . . . 94.58 495 98.73 99.36 2.15e-104 . . . . 4252 1 4 no PDB 1OPL . "Structural Basis For The Auto-Inhibition Of C-Abl Tyrosine Kinase" . . . . . 94.58 537 98.73 99.36 1.09e-103 . . . . 4252 1 5 no PDB 2ABL . "Sh3-Sh2 Domain Fragment Of Human Bcr-Abl Tyrosine Kinase" . . . . . 93.37 163 98.71 99.35 5.37e-106 . . . . 4252 1 6 no PDB 2FO0 . "Organization Of The Sh3-Sh2 Unit In Active And Inactive Forms Of The C-Abl Tyrosine Kinase" . . . . . 94.58 495 98.73 99.36 2.20e-104 . . . . 4252 1 7 no PDB 3K2M . "Crystal Structure Of Monobody Ha4ABL1 SH2 DOMAIN COMPLEX" . . . . . 60.24 112 100.00 100.00 4.39e-63 . . . . 4252 1 8 no PDB 3T04 . "Crystal Structure Of Monobody 7c12ABL1 SH2 DOMAIN COMPLEX" . . . . . 65.66 123 100.00 100.00 2.76e-70 . . . . 4252 1 9 no PDB 3UYO . "Crystal Structure Of Monobody Sh13ABL1 SH2 DOMAIN COMPLEX" . . . . . 65.66 123 100.00 100.00 2.76e-70 . . . . 4252 1 10 no PDB 4XEY . "Crystal Structure Of An Sh2-kinase Domain Construct Of C-abl Tyrosine Kinase" . . . . . 63.25 408 97.14 98.10 5.38e-62 . . . . 4252 1 11 no DBJ BAC41088 . "unnamed protein product [Mus musculus]" . . . . . 93.98 1123 99.36 99.36 1.47e-101 . . . . 4252 1 12 no DBJ BAD92693 . "v-abl Abelson murine leukemia viral oncogene homolog 1 isoform b variant [Homo sapiens]" . . . . . 93.98 1167 99.36 99.36 1.58e-100 . . . . 4252 1 13 no DBJ BAG10808 . "proto-oncogene tyrosine-protein kinase ABL1 [synthetic construct]" . . . . . 93.98 1149 99.36 99.36 6.74e-101 . . . . 4252 1 14 no EMBL CAA10376 . "bcr-abl1 e14a2 chimeric protein [Homo sapiens]" . . . . . 93.98 332 99.36 99.36 4.41e-107 . . . . 4252 1 15 no EMBL CAA10377 . "bcr-abl1 e13a2 chimeric protein [Homo sapiens]" . . . . . 93.98 307 99.36 99.36 1.68e-107 . . . . 4252 1 16 no EMBL CAA24781 . "oncogene v-abl [Mus sp.]" . . . . . 63.86 918 100.00 100.00 4.80e-63 . . . . 4252 1 17 no EMBL CAA34438 . "unnamed protein product [Homo sapiens]" . . . . . 93.98 1130 99.36 99.36 4.13e-101 . . . . 4252 1 18 no EMBL CAB56204 . "unnamed protein product [Abelson murine leukemia virus]" . . . . . 63.86 818 100.00 100.00 2.65e-63 . . . . 4252 1 19 no GB AAA35593 . "bcr/c-abl oncogene protein, partial [Homo sapiens]" . . . . . 50.00 144 97.59 98.80 6.58e-50 . . . . 4252 1 20 no GB AAA35697 . "bcr/c-abl oncogene protein, partial [Homo sapiens]" . . . . . 50.00 156 97.59 98.80 2.36e-50 . . . . 4252 1 21 no GB AAA43042 . "gag-abl-pol fusion polyprotein, partial [Feline sarcoma virus]" . . . . . 94.58 697 98.09 98.73 9.25e-102 . . . . 4252 1 22 no GB AAA51561 . "abl protein [Homo sapiens]" . . . . . 93.98 1130 98.08 98.08 3.62e-99 . . . . 4252 1 23 no GB AAA51896 . "c-abl [Homo sapiens]" . . . . . 50.00 119 97.59 98.80 4.28e-50 . . . . 4252 1 24 no REF NP_001094320 . "tyrosine-protein kinase ABL1 [Rattus norvegicus]" . . . . . 93.98 1143 99.36 99.36 2.58e-101 . . . . 4252 1 25 no REF NP_001106174 . "tyrosine-protein kinase ABL1 isoform a [Mus musculus]" . . . . . 93.98 1142 99.36 99.36 3.10e-101 . . . . 4252 1 26 no REF NP_001193789 . "tyrosine-protein kinase ABL1 [Bos taurus]" . . . . . 93.98 1151 99.36 99.36 3.55e-101 . . . . 4252 1 27 no REF NP_001269974 . "tyrosine-protein kinase ABL1 isoform c [Mus musculus]" . . . . . 93.98 1118 99.36 99.36 1.64e-101 . . . . 4252 1 28 no REF NP_001269975 . "tyrosine-protein kinase ABL1 isoform d [Mus musculus]" . . . . . 93.98 1117 99.36 99.36 1.49e-101 . . . . 4252 1 29 no SP P00519 . "RecName: Full=Tyrosine-protein kinase ABL1; AltName: Full=Abelson murine leukemia viral oncogene homolog 1; AltName: Full=Abels" . . . . . 93.98 1130 99.36 99.36 4.13e-101 . . . . 4252 1 30 no SP P00520 . "RecName: Full=Tyrosine-protein kinase ABL1; AltName: Full=Abelson murine leukemia viral oncogene homolog 1; AltName: Full=Abels" . . . . . 93.98 1123 99.36 99.36 1.18e-101 . . . . 4252 1 31 no SP P00521 . "RecName: Full=Tyrosine-protein kinase transforming protein Abl; AltName: Full=V-abl" . . . . . 63.86 746 100.00 100.00 3.36e-64 . . . . 4252 1 32 no SP P10447 . "RecName: Full=Tyrosine-protein kinase transforming protein Abl; AltName: Full=V-abl" . . . . . 94.58 439 98.09 98.73 4.27e-104 . . . . 4252 1 33 no TPG DAA24240 . "TPA: arg tyrosine kinase-like [Bos taurus]" . . . . . 93.98 1151 99.36 99.36 3.55e-101 . . . . 4252 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Abl SH(32)' abbreviation 4252 1 'Abl SH(32)' variant 4252 1 'Src homology domain 3 and 2' common 4252 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 59 GLY . 4252 1 2 60 SER . 4252 1 3 61 PRO . 4252 1 4 62 GLY . 4252 1 5 63 GLY . 4252 1 6 64 SER . 4252 1 7 65 LEU . 4252 1 8 66 PHE . 4252 1 9 67 VAL . 4252 1 10 68 ALA . 4252 1 11 69 LEU . 4252 1 12 70 TYR . 4252 1 13 71 ASP . 4252 1 14 72 PHE . 4252 1 15 73 VAL . 4252 1 16 74 ALA . 4252 1 17 75 SER . 4252 1 18 76 GLY . 4252 1 19 77 ASP . 4252 1 20 78 ASN . 4252 1 21 79 THR . 4252 1 22 80 LEU . 4252 1 23 81 SER . 4252 1 24 82 ILE . 4252 1 25 83 THR . 4252 1 26 84 LYS . 4252 1 27 85 GLY . 4252 1 28 86 GLU . 4252 1 29 87 LYS . 4252 1 30 88 LEU . 4252 1 31 89 ARG . 4252 1 32 90 VAL . 4252 1 33 91 LEU . 4252 1 34 92 GLY . 4252 1 35 93 TYR . 4252 1 36 94 ASN . 4252 1 37 95 HIS . 4252 1 38 96 ASN . 4252 1 39 97 GLY . 4252 1 40 98 GLU . 4252 1 41 99 TRP . 4252 1 42 100 ALA . 4252 1 43 101 GLU . 4252 1 44 102 ALA . 4252 1 45 103 GLN . 4252 1 46 104 THR . 4252 1 47 105 LYS . 4252 1 48 106 ASN . 4252 1 49 107 GLY . 4252 1 50 108 GLN . 4252 1 51 109 GLY . 4252 1 52 110 TRP . 4252 1 53 111 VAL . 4252 1 54 112 PRO . 4252 1 55 113 SER . 4252 1 56 114 ASN . 4252 1 57 115 TYR . 4252 1 58 116 ILE . 4252 1 59 117 THR . 4252 1 60 118 PRO . 4252 1 61 119 VAL . 4252 1 62 120 ASN . 4252 1 63 121 SER . 4252 1 64 122 LEU . 4252 1 65 123 GLU . 4252 1 66 124 LYS . 4252 1 67 125 HIS . 4252 1 68 126 SER . 4252 1 69 127 TRP . 4252 1 70 128 TYR . 4252 1 71 129 HIS . 4252 1 72 130 GLY . 4252 1 73 131 PRO . 4252 1 74 132 VAL . 4252 1 75 133 SER . 4252 1 76 134 ARG . 4252 1 77 135 ASN . 4252 1 78 136 ALA . 4252 1 79 137 ALA . 4252 1 80 138 GLU . 4252 1 81 139 TYR . 4252 1 82 140 LEU . 4252 1 83 141 LEU . 4252 1 84 142 SER . 4252 1 85 143 SER . 4252 1 86 144 GLY . 4252 1 87 145 ILE . 4252 1 88 146 ASN . 4252 1 89 147 GLY . 4252 1 90 148 SER . 4252 1 91 149 PHE . 4252 1 92 150 LEU . 4252 1 93 151 VAL . 4252 1 94 152 ARG . 4252 1 95 153 GLU . 4252 1 96 154 SER . 4252 1 97 155 GLU . 4252 1 98 156 SER . 4252 1 99 157 SER . 4252 1 100 158 PRO . 4252 1 101 159 GLY . 4252 1 102 160 GLN . 4252 1 103 161 ARG . 4252 1 104 162 SER . 4252 1 105 163 ILE . 4252 1 106 164 SER . 4252 1 107 165 LEU . 4252 1 108 166 ARG . 4252 1 109 167 TYR . 4252 1 110 168 GLU . 4252 1 111 169 GLY . 4252 1 112 170 ARG . 4252 1 113 171 VAL . 4252 1 114 172 TYR . 4252 1 115 173 HIS . 4252 1 116 174 TYR . 4252 1 117 175 ARG . 4252 1 118 176 ILE . 4252 1 119 177 ASN . 4252 1 120 178 THR . 4252 1 121 179 ALA . 4252 1 122 180 SER . 4252 1 123 181 ASP . 4252 1 124 182 GLY . 4252 1 125 183 LYS . 4252 1 126 184 LEU . 4252 1 127 185 TYR . 4252 1 128 186 VAL . 4252 1 129 187 SER . 4252 1 130 188 SER . 4252 1 131 189 GLU . 4252 1 132 190 SER . 4252 1 133 191 ARG . 4252 1 134 192 PHE . 4252 1 135 193 ASN . 4252 1 136 194 THR . 4252 1 137 195 LEU . 4252 1 138 196 ALA . 4252 1 139 197 GLU . 4252 1 140 198 LEU . 4252 1 141 199 VAL . 4252 1 142 200 HIS . 4252 1 143 201 HIS . 4252 1 144 202 HIS . 4252 1 145 203 SER . 4252 1 146 204 THR . 4252 1 147 205 VAL . 4252 1 148 206 ALA . 4252 1 149 207 ASP . 4252 1 150 208 GLY . 4252 1 151 209 LEU . 4252 1 152 210 ILE . 4252 1 153 211 THR . 4252 1 154 212 THR . 4252 1 155 213 LEU . 4252 1 156 214 HIS . 4252 1 157 215 TYR . 4252 1 158 216 PRO . 4252 1 159 217 ALA . 4252 1 160 218 PRO . 4252 1 161 219 LYS . 4252 1 162 220 ARG . 4252 1 163 221 GLY . 4252 1 164 222 ILE . 4252 1 165 224 ARG . 4252 1 166 225 ASP . 4252 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 . GLY 1 1 4252 1 . SER 2 2 4252 1 . PRO 3 3 4252 1 . GLY 4 4 4252 1 . GLY 5 5 4252 1 . SER 6 6 4252 1 . LEU 7 7 4252 1 . PHE 8 8 4252 1 . VAL 9 9 4252 1 . ALA 10 10 4252 1 . LEU 11 11 4252 1 . TYR 12 12 4252 1 . ASP 13 13 4252 1 . PHE 14 14 4252 1 . VAL 15 15 4252 1 . ALA 16 16 4252 1 . SER 17 17 4252 1 . GLY 18 18 4252 1 . ASP 19 19 4252 1 . ASN 20 20 4252 1 . THR 21 21 4252 1 . LEU 22 22 4252 1 . SER 23 23 4252 1 . ILE 24 24 4252 1 . THR 25 25 4252 1 . LYS 26 26 4252 1 . GLY 27 27 4252 1 . GLU 28 28 4252 1 . LYS 29 29 4252 1 . LEU 30 30 4252 1 . ARG 31 31 4252 1 . VAL 32 32 4252 1 . LEU 33 33 4252 1 . GLY 34 34 4252 1 . TYR 35 35 4252 1 . ASN 36 36 4252 1 . HIS 37 37 4252 1 . ASN 38 38 4252 1 . GLY 39 39 4252 1 . GLU 40 40 4252 1 . TRP 41 41 4252 1 . ALA 42 42 4252 1 . GLU 43 43 4252 1 . ALA 44 44 4252 1 . GLN 45 45 4252 1 . THR 46 46 4252 1 . LYS 47 47 4252 1 . ASN 48 48 4252 1 . GLY 49 49 4252 1 . GLN 50 50 4252 1 . GLY 51 51 4252 1 . TRP 52 52 4252 1 . VAL 53 53 4252 1 . PRO 54 54 4252 1 . SER 55 55 4252 1 . ASN 56 56 4252 1 . TYR 57 57 4252 1 . ILE 58 58 4252 1 . THR 59 59 4252 1 . PRO 60 60 4252 1 . VAL 61 61 4252 1 . ASN 62 62 4252 1 . SER 63 63 4252 1 . LEU 64 64 4252 1 . GLU 65 65 4252 1 . LYS 66 66 4252 1 . HIS 67 67 4252 1 . SER 68 68 4252 1 . TRP 69 69 4252 1 . TYR 70 70 4252 1 . HIS 71 71 4252 1 . GLY 72 72 4252 1 . PRO 73 73 4252 1 . VAL 74 74 4252 1 . SER 75 75 4252 1 . ARG 76 76 4252 1 . ASN 77 77 4252 1 . ALA 78 78 4252 1 . ALA 79 79 4252 1 . GLU 80 80 4252 1 . TYR 81 81 4252 1 . LEU 82 82 4252 1 . LEU 83 83 4252 1 . SER 84 84 4252 1 . SER 85 85 4252 1 . GLY 86 86 4252 1 . ILE 87 87 4252 1 . ASN 88 88 4252 1 . GLY 89 89 4252 1 . SER 90 90 4252 1 . PHE 91 91 4252 1 . LEU 92 92 4252 1 . VAL 93 93 4252 1 . ARG 94 94 4252 1 . GLU 95 95 4252 1 . SER 96 96 4252 1 . GLU 97 97 4252 1 . SER 98 98 4252 1 . SER 99 99 4252 1 . PRO 100 100 4252 1 . GLY 101 101 4252 1 . GLN 102 102 4252 1 . ARG 103 103 4252 1 . SER 104 104 4252 1 . ILE 105 105 4252 1 . SER 106 106 4252 1 . LEU 107 107 4252 1 . ARG 108 108 4252 1 . TYR 109 109 4252 1 . GLU 110 110 4252 1 . GLY 111 111 4252 1 . ARG 112 112 4252 1 . VAL 113 113 4252 1 . TYR 114 114 4252 1 . HIS 115 115 4252 1 . TYR 116 116 4252 1 . ARG 117 117 4252 1 . ILE 118 118 4252 1 . ASN 119 119 4252 1 . THR 120 120 4252 1 . ALA 121 121 4252 1 . SER 122 122 4252 1 . ASP 123 123 4252 1 . GLY 124 124 4252 1 . LYS 125 125 4252 1 . LEU 126 126 4252 1 . TYR 127 127 4252 1 . VAL 128 128 4252 1 . SER 129 129 4252 1 . SER 130 130 4252 1 . GLU 131 131 4252 1 . SER 132 132 4252 1 . ARG 133 133 4252 1 . PHE 134 134 4252 1 . ASN 135 135 4252 1 . THR 136 136 4252 1 . LEU 137 137 4252 1 . ALA 138 138 4252 1 . GLU 139 139 4252 1 . LEU 140 140 4252 1 . VAL 141 141 4252 1 . HIS 142 142 4252 1 . HIS 143 143 4252 1 . HIS 144 144 4252 1 . SER 145 145 4252 1 . THR 146 146 4252 1 . VAL 147 147 4252 1 . ALA 148 148 4252 1 . ASP 149 149 4252 1 . GLY 150 150 4252 1 . LEU 151 151 4252 1 . ILE 152 152 4252 1 . THR 153 153 4252 1 . THR 154 154 4252 1 . LEU 155 155 4252 1 . HIS 156 156 4252 1 . TYR 157 157 4252 1 . PRO 158 158 4252 1 . ALA 159 159 4252 1 . PRO 160 160 4252 1 . LYS 161 161 4252 1 . ARG 162 162 4252 1 . GLY 163 163 4252 1 . ILE 164 164 4252 1 . ARG 165 165 4252 1 . ASP 166 166 4252 1 stop_ save_ save_consolidated_ligand_fragment_1 _Entity.Sf_category entity _Entity.Sf_framecode consolidated_ligand_fragment_1 _Entity.Entry_ID 4252 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Abl SH3 binding peptide' _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 PPAYAPPPVP _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 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3BP abbreviation 4252 2 'Abl SH3 binding peptide' common 4252 2 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 . PRO . 4252 2 2 . PRO . 4252 2 3 . ALA . 4252 2 4 . TYR . 4252 2 5 . ALA . 4252 2 6 . PRO . 4252 2 7 . PRO . 4252 2 8 . PRO . 4252 2 9 . VAL . 4252 2 10 . PRO . 4252 2 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 . PRO 1 1 4252 2 . PRO 2 2 4252 2 . ALA 3 3 4252 2 . TYR 4 4 4252 2 . ALA 5 5 4252 2 . PRO 6 6 4252 2 . PRO 7 7 4252 2 . PRO 8 8 4252 2 . VAL 9 9 4252 2 . PRO 10 10 4252 2 stop_ save_ save_consolidated_ligand_fragment_2 _Entity.Sf_category entity _Entity.Sf_framecode consolidated_ligand_fragment_2 _Entity.Entry_ID 4252 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 'Abl SH2 binding peptide' _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 PVYENV _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 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 2BP abbreviation 4252 3 'Abl SH2 binding peptide' common 4252 3 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 . PRO . 4252 3 2 . VAL . 4252 3 3 . TYR . 4252 3 4 . GLU . 4252 3 5 . ASN . 4252 3 6 . VAL . 4252 3 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 . PRO 1 1 4252 3 . VAL 2 2 4252 3 . TYR 3 3 4252 3 . GLU 4 4 4252 3 . ASN 5 5 4252 3 . VAL 6 6 4252 3 stop_ save_ save_G6-Kamide_linker _Entity.Sf_category entity _Entity.Sf_framecode G6-Kamide_linker _Entity.Entry_ID 4252 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name 'G6-Kamide linker' _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 GGGGGG _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 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID G6-Kamide abbreviation 4252 4 'G6-Kamide linker' common 4252 4 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 . GLY . 4252 4 2 . GLY . 4252 4 3 . GLY . 4252 4 4 . GLY . 4252 4 5 . GLY . 4252 4 6 . GLY . 4252 4 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 . GLY 1 1 4252 4 . GLY 2 2 4252 4 . GLY 3 3 4252 4 . GLY 4 4 4252 4 . GLY 5 5 4252 4 . GLY 6 6 4252 4 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 4252 _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 $Abl_SH(32) . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4252 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 4252 _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 $Abl_SH(32) . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4252 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4252 _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 'Src homology domain 3 and 2' . . . 1 $Abl_SH(32) . . 0.8 . . mM . . . . 4252 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4252 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 0.5 n/a 4252 1 temperature 308 0.1 K 4252 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4252 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4252 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4252 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 4252 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4252 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 2 $citation_one . . . . 4252 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct 1.0 . . . 2 $citation_one . . . . 4252 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $citation_one . . . . 4252 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4252 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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_one . 4252 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 GLY N N 15 119.7 . . 1 . . . . . . . . 4252 1 2 . 1 1 1 1 GLY H H 1 7.93 . . 1 . . . . . . . . 4252 1 3 . 1 1 1 1 GLY CA C 13 44.9 . . 1 . . . . . . . . 4252 1 4 . 1 1 1 1 GLY HA2 H 1 4.10 . . 2 . . . . . . . . 4252 1 5 . 1 1 1 1 GLY HA3 H 1 3.52 . . 2 . . . . . . . . 4252 1 6 . 1 1 2 2 SER N N 15 115.4 . . 1 . . . . . . . . 4252 1 7 . 1 1 2 2 SER H H 1 8.29 . . 1 . . . . . . . . 4252 1 8 . 1 1 2 2 SER CA C 13 58.3 . . 1 . . . . . . . . 4252 1 9 . 1 1 2 2 SER HA H 1 4.74 . . 1 . . . . . . . . 4252 1 10 . 1 1 2 2 SER CB C 13 64.6 . . 1 . . . . . . . . 4252 1 11 . 1 1 2 2 SER HB2 H 1 4.09 . . 2 . . . . . . . . 4252 1 12 . 1 1 2 2 SER HB3 H 1 4.02 . . 2 . . . . . . . . 4252 1 13 . 1 1 4 4 GLY N N 15 112.9 . . 1 . . . . . . . . 4252 1 14 . 1 1 4 4 GLY H H 1 7.42 . . 1 . . . . . . . . 4252 1 15 . 1 1 4 4 GLY CA C 13 45.2 . . 1 . . . . . . . . 4252 1 16 . 1 1 4 4 GLY HA2 H 1 4.39 . . 2 . . . . . . . . 4252 1 17 . 1 1 4 4 GLY HA3 H 1 3.72 . . 2 . . . . . . . . 4252 1 18 . 1 1 5 5 GLY N N 15 107.9 . . 1 . . . . . . . . 4252 1 19 . 1 1 5 5 GLY H H 1 8.23 . . 1 . . . . . . . . 4252 1 20 . 1 1 5 5 GLY CA C 13 44.9 . . 1 . . . . . . . . 4252 1 21 . 1 1 5 5 GLY HA2 H 1 4.02 . . 2 . . . . . . . . 4252 1 22 . 1 1 5 5 GLY HA3 H 1 3.87 . . 2 . . . . . . . . 4252 1 23 . 1 1 6 6 SER N N 15 115.6 . . 1 . . . . . . . . 4252 1 24 . 1 1 6 6 SER H H 1 8.35 . . 1 . . . . . . . . 4252 1 25 . 1 1 6 6 SER CA C 13 58.3 . . 1 . . . . . . . . 4252 1 26 . 1 1 6 6 SER CB C 13 64.6 . . 1 . . . . . . . . 4252 1 27 . 1 1 6 6 SER HB2 H 1 4.08 . . 2 . . . . . . . . 4252 1 28 . 1 1 6 6 SER HB3 H 1 3.87 . . 2 . . . . . . . . 4252 1 29 . 1 1 7 7 LEU N N 15 124.1 . . 1 . . . . . . . . 4252 1 30 . 1 1 7 7 LEU H H 1 8.40 . . 1 . . . . . . . . 4252 1 31 . 1 1 7 7 LEU CA C 13 55.2 . . 1 . . . . . . . . 4252 1 32 . 1 1 7 7 LEU HA H 1 5.02 . . 1 . . . . . . . . 4252 1 33 . 1 1 7 7 LEU CB C 13 43.4 . . 1 . . . . . . . . 4252 1 34 . 1 1 7 7 LEU HB2 H 1 1.66 . . 1 . . . . . . . . 4252 1 35 . 1 1 7 7 LEU HB3 H 1 1.66 . . 1 . . . . . . . . 4252 1 36 . 1 1 7 7 LEU CG C 13 27.0 . . 1 . . . . . . . . 4252 1 37 . 1 1 7 7 LEU HG H 1 1.70 . . 1 . . . . . . . . 4252 1 38 . 1 1 7 7 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4252 1 39 . 1 1 7 7 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4252 1 40 . 1 1 7 7 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4252 1 41 . 1 1 7 7 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 4252 1 42 . 1 1 7 7 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 4252 1 43 . 1 1 7 7 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 4252 1 44 . 1 1 7 7 LEU CD1 C 13 24.5 . . 1 . . . . . . . . 4252 1 45 . 1 1 7 7 LEU CD2 C 13 24.5 . . 1 . . . . . . . . 4252 1 46 . 1 1 8 8 PHE N N 15 127.0 . . 1 . . . . . . . . 4252 1 47 . 1 1 8 8 PHE H H 1 9.59 . . 1 . . . . . . . . 4252 1 48 . 1 1 8 8 PHE CA C 13 56.0 . . 1 . . . . . . . . 4252 1 49 . 1 1 8 8 PHE HA H 1 5.32 . . 1 . . . . . . . . 4252 1 50 . 1 1 8 8 PHE CB C 13 44.2 . . 1 . . . . . . . . 4252 1 51 . 1 1 8 8 PHE HB2 H 1 2.87 . . 2 . . . . . . . . 4252 1 52 . 1 1 8 8 PHE HB3 H 1 2.66 . . 2 . . . . . . . . 4252 1 53 . 1 1 9 9 VAL N N 15 117.2 . . 1 . . . . . . . . 4252 1 54 . 1 1 9 9 VAL H H 1 9.46 . . 1 . . . . . . . . 4252 1 55 . 1 1 9 9 VAL CA C 13 58.8 . . 1 . . . . . . . . 4252 1 56 . 1 1 9 9 VAL HA H 1 5.29 . . 1 . . . . . . . . 4252 1 57 . 1 1 9 9 VAL CB C 13 35.6 . . 1 . . . . . . . . 4252 1 58 . 1 1 9 9 VAL HB H 1 1.75 . . 1 . . . . . . . . 4252 1 59 . 1 1 9 9 VAL HG11 H 1 0.87 . . 2 . . . . . . . . 4252 1 60 . 1 1 9 9 VAL HG12 H 1 0.87 . . 2 . . . . . . . . 4252 1 61 . 1 1 9 9 VAL HG13 H 1 0.87 . . 2 . . . . . . . . 4252 1 62 . 1 1 9 9 VAL HG21 H 1 0.81 . . 2 . . . . . . . . 4252 1 63 . 1 1 9 9 VAL HG22 H 1 0.81 . . 2 . . . . . . . . 4252 1 64 . 1 1 9 9 VAL HG23 H 1 0.81 . . 2 . . . . . . . . 4252 1 65 . 1 1 9 9 VAL CG1 C 13 21.4 . . 1 . . . . . . . . 4252 1 66 . 1 1 9 9 VAL CG2 C 13 19.9 . . 1 . . . . . . . . 4252 1 67 . 1 1 10 10 ALA N N 15 127.0 . . 1 . . . . . . . . 4252 1 68 . 1 1 10 10 ALA H H 1 8.51 . . 1 . . . . . . . . 4252 1 69 . 1 1 10 10 ALA CA C 13 52.1 . . 1 . . . . . . . . 4252 1 70 . 1 1 10 10 ALA HA H 1 4.72 . . 1 . . . . . . . . 4252 1 71 . 1 1 10 10 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 4252 1 72 . 1 1 10 10 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 4252 1 73 . 1 1 10 10 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 4252 1 74 . 1 1 10 10 ALA CB C 13 19.4 . . 1 . . . . . . . . 4252 1 75 . 1 1 11 11 LEU N N 15 126.8 . . 1 . . . . . . . . 4252 1 76 . 1 1 11 11 LEU H H 1 9.58 . . 1 . . . . . . . . 4252 1 77 . 1 1 11 11 LEU CA C 13 55.7 . . 1 . . . . . . . . 4252 1 78 . 1 1 11 11 LEU HA H 1 3.96 . . 1 . . . . . . . . 4252 1 79 . 1 1 11 11 LEU CB C 13 43.9 . . 1 . . . . . . . . 4252 1 80 . 1 1 11 11 LEU HB2 H 1 1.07 . . 2 . . . . . . . . 4252 1 81 . 1 1 11 11 LEU HB3 H 1 0.45 . . 2 . . . . . . . . 4252 1 82 . 1 1 11 11 LEU CG C 13 26.5 . . 1 . . . . . . . . 4252 1 83 . 1 1 11 11 LEU HG H 1 1.24 . . 1 . . . . . . . . 4252 1 84 . 1 1 11 11 LEU HD11 H 1 0.72 . . 2 . . . . . . . . 4252 1 85 . 1 1 11 11 LEU HD12 H 1 0.72 . . 2 . . . . . . . . 4252 1 86 . 1 1 11 11 LEU HD13 H 1 0.72 . . 2 . . . . . . . . 4252 1 87 . 1 1 11 11 LEU CD1 C 13 25.5 . . 1 . . . . . . . . 4252 1 88 . 1 1 12 12 TYR N N 15 111.5 . . 1 . . . . . . . . 4252 1 89 . 1 1 12 12 TYR H H 1 7.01 . . 1 . . . . . . . . 4252 1 90 . 1 1 12 12 TYR CA C 13 54.1 . . 1 . . . . . . . . 4252 1 91 . 1 1 12 12 TYR HA H 1 4.79 . . 1 . . . . . . . . 4252 1 92 . 1 1 12 12 TYR CB C 13 42.6 . . 1 . . . . . . . . 4252 1 93 . 1 1 12 12 TYR HB2 H 1 3.13 . . 2 . . . . . . . . 4252 1 94 . 1 1 12 12 TYR HB3 H 1 2.20 . . 2 . . . . . . . . 4252 1 95 . 1 1 13 13 ASP N N 15 117.3 . . 1 . . . . . . . . 4252 1 96 . 1 1 13 13 ASP H H 1 8.21 . . 1 . . . . . . . . 4252 1 97 . 1 1 13 13 ASP CA C 13 54.3 . . 1 . . . . . . . . 4252 1 98 . 1 1 13 13 ASP HA H 1 4.90 . . 1 . . . . . . . . 4252 1 99 . 1 1 13 13 ASP CB C 13 41.8 . . 1 . . . . . . . . 4252 1 100 . 1 1 13 13 ASP HB2 H 1 2.64 . . 2 . . . . . . . . 4252 1 101 . 1 1 13 13 ASP HB3 H 1 2.78 . . 2 . . . . . . . . 4252 1 102 . 1 1 14 14 PHE N N 15 121.3 . . 1 . . . . . . . . 4252 1 103 . 1 1 14 14 PHE H H 1 8.94 . . 1 . . . . . . . . 4252 1 104 . 1 1 14 14 PHE CA C 13 57.1 . . 1 . . . . . . . . 4252 1 105 . 1 1 14 14 PHE HA H 1 5.09 . . 1 . . . . . . . . 4252 1 106 . 1 1 14 14 PHE CB C 13 42.2 . . 1 . . . . . . . . 4252 1 107 . 1 1 14 14 PHE HB2 H 1 3.45 . . 2 . . . . . . . . 4252 1 108 . 1 1 14 14 PHE HB3 H 1 3.11 . . 2 . . . . . . . . 4252 1 109 . 1 1 15 15 VAL N N 15 129.5 . . 1 . . . . . . . . 4252 1 110 . 1 1 15 15 VAL H H 1 8.00 . . 1 . . . . . . . . 4252 1 111 . 1 1 15 15 VAL CA C 13 60.4 . . 1 . . . . . . . . 4252 1 112 . 1 1 15 15 VAL HA H 1 4.03 . . 1 . . . . . . . . 4252 1 113 . 1 1 15 15 VAL CB C 13 32.4 . . 1 . . . . . . . . 4252 1 114 . 1 1 15 15 VAL HB H 1 1.75 . . 1 . . . . . . . . 4252 1 115 . 1 1 15 15 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 4252 1 116 . 1 1 15 15 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 4252 1 117 . 1 1 15 15 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 4252 1 118 . 1 1 15 15 VAL HG21 H 1 0.92 . . 2 . . . . . . . . 4252 1 119 . 1 1 15 15 VAL HG22 H 1 0.92 . . 2 . . . . . . . . 4252 1 120 . 1 1 15 15 VAL HG23 H 1 0.92 . . 2 . . . . . . . . 4252 1 121 . 1 1 15 15 VAL CG1 C 13 20.9 . . 1 . . . . . . . . 4252 1 122 . 1 1 15 15 VAL CG2 C 13 20.9 . . 1 . . . . . . . . 4252 1 123 . 1 1 16 16 ALA N N 15 128.6 . . 1 . . . . . . . . 4252 1 124 . 1 1 16 16 ALA H H 1 8.31 . . 1 . . . . . . . . 4252 1 125 . 1 1 16 16 ALA CA C 13 53.3 . . 1 . . . . . . . . 4252 1 126 . 1 1 16 16 ALA HA H 1 3.63 . . 1 . . . . . . . . 4252 1 127 . 1 1 16 16 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4252 1 128 . 1 1 16 16 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4252 1 129 . 1 1 16 16 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4252 1 130 . 1 1 16 16 ALA CB C 13 19.3 . . 1 . . . . . . . . 4252 1 131 . 1 1 17 17 SER N N 15 115.0 . . 1 . . . . . . . . 4252 1 132 . 1 1 17 17 SER H H 1 8.39 . . 1 . . . . . . . . 4252 1 133 . 1 1 17 17 SER CA C 13 56.5 . . 1 . . . . . . . . 4252 1 134 . 1 1 17 17 SER HA H 1 4.60 . . 1 . . . . . . . . 4252 1 135 . 1 1 17 17 SER CB C 13 64.2 . . 1 . . . . . . . . 4252 1 136 . 1 1 17 17 SER HB2 H 1 4.18 . . 2 . . . . . . . . 4252 1 137 . 1 1 17 17 SER HB3 H 1 3.66 . . 2 . . . . . . . . 4252 1 138 . 1 1 18 18 GLY N N 15 109.1 . . 1 . . . . . . . . 4252 1 139 . 1 1 18 18 GLY H H 1 7.57 . . 1 . . . . . . . . 4252 1 140 . 1 1 18 18 GLY CA C 13 44.0 . . 1 . . . . . . . . 4252 1 141 . 1 1 18 18 GLY HA2 H 1 4.49 . . 2 . . . . . . . . 4252 1 142 . 1 1 18 18 GLY HA3 H 1 3.98 . . 2 . . . . . . . . 4252 1 143 . 1 1 19 19 ASP N N 15 115.1 . . 1 . . . . . . . . 4252 1 144 . 1 1 19 19 ASP H H 1 8.61 . . 1 . . . . . . . . 4252 1 145 . 1 1 19 19 ASP CA C 13 56.7 . . 1 . . . . . . . . 4252 1 146 . 1 1 19 19 ASP HA H 1 4.21 . . 1 . . . . . . . . 4252 1 147 . 1 1 19 19 ASP CB C 13 39.3 . . 1 . . . . . . . . 4252 1 148 . 1 1 19 19 ASP HB2 H 1 2.68 . . 2 . . . . . . . . 4252 1 149 . 1 1 19 19 ASP HB3 H 1 2.39 . . 2 . . . . . . . . 4252 1 150 . 1 1 20 20 ASN N N 15 109.9 . . 1 . . . . . . . . 4252 1 151 . 1 1 20 20 ASN H H 1 8.78 . . 1 . . . . . . . . 4252 1 152 . 1 1 20 20 ASN CA C 13 54.4 . . 1 . . . . . . . . 4252 1 153 . 1 1 20 20 ASN HA H 1 4.50 . . 1 . . . . . . . . 4252 1 154 . 1 1 20 20 ASN CB C 13 37.7 . . 1 . . . . . . . . 4252 1 155 . 1 1 20 20 ASN HB2 H 1 3.41 . . 2 . . . . . . . . 4252 1 156 . 1 1 20 20 ASN HB3 H 1 2.94 . . 2 . . . . . . . . 4252 1 157 . 1 1 21 21 THR N N 15 108.5 . . 1 . . . . . . . . 4252 1 158 . 1 1 21 21 THR H H 1 7.55 . . 1 . . . . . . . . 4252 1 159 . 1 1 21 21 THR CA C 13 61.7 . . 1 . . . . . . . . 4252 1 160 . 1 1 21 21 THR HA H 1 5.27 . . 1 . . . . . . . . 4252 1 161 . 1 1 21 21 THR CB C 13 72.1 . . 1 . . . . . . . . 4252 1 162 . 1 1 21 21 THR HB H 1 4.71 . . 1 . . . . . . . . 4252 1 163 . 1 1 21 21 THR HG21 H 1 1.32 . . 1 . . . . . . . . 4252 1 164 . 1 1 21 21 THR HG22 H 1 1.32 . . 1 . . . . . . . . 4252 1 165 . 1 1 21 21 THR HG23 H 1 1.32 . . 1 . . . . . . . . 4252 1 166 . 1 1 21 21 THR CG2 C 13 23.5 . . 1 . . . . . . . . 4252 1 167 . 1 1 22 22 LEU N N 15 126.2 . . 1 . . . . . . . . 4252 1 168 . 1 1 22 22 LEU H H 1 8.38 . . 1 . . . . . . . . 4252 1 169 . 1 1 22 22 LEU CA C 13 53.3 . . 1 . . . . . . . . 4252 1 170 . 1 1 22 22 LEU HA H 1 4.67 . . 1 . . . . . . . . 4252 1 171 . 1 1 22 22 LEU HB2 H 1 1.57 . . 2 . . . . . . . . 4252 1 172 . 1 1 22 22 LEU HB3 H 1 0.75 . . 2 . . . . . . . . 4252 1 173 . 1 1 22 22 LEU CG C 13 26.0 . . 1 . . . . . . . . 4252 1 174 . 1 1 22 22 LEU HG H 1 1.50 . . 1 . . . . . . . . 4252 1 175 . 1 1 22 22 LEU HD11 H 1 0.69 . . 2 . . . . . . . . 4252 1 176 . 1 1 22 22 LEU HD12 H 1 0.69 . . 2 . . . . . . . . 4252 1 177 . 1 1 22 22 LEU HD13 H 1 0.69 . . 2 . . . . . . . . 4252 1 178 . 1 1 22 22 LEU HD21 H 1 0.61 . . 2 . . . . . . . . 4252 1 179 . 1 1 22 22 LEU HD22 H 1 0.61 . . 2 . . . . . . . . 4252 1 180 . 1 1 22 22 LEU HD23 H 1 0.61 . . 2 . . . . . . . . 4252 1 181 . 1 1 22 22 LEU CD1 C 13 22.9 . . 1 . . . . . . . . 4252 1 182 . 1 1 22 22 LEU CD2 C 13 22.9 . . 1 . . . . . . . . 4252 1 183 . 1 1 23 23 SER N N 15 120.2 . . 1 . . . . . . . . 4252 1 184 . 1 1 23 23 SER H H 1 8.22 . . 1 . . . . . . . . 4252 1 185 . 1 1 23 23 SER CA C 13 59.1 . . 1 . . . . . . . . 4252 1 186 . 1 1 23 23 SER HA H 1 4.99 . . 1 . . . . . . . . 4252 1 187 . 1 1 23 23 SER CB C 13 63.7 . . 1 . . . . . . . . 4252 1 188 . 1 1 23 23 SER HB2 H 1 4.08 . . 1 . . . . . . . . 4252 1 189 . 1 1 23 23 SER HB3 H 1 4.08 . . 1 . . . . . . . . 4252 1 190 . 1 1 24 24 ILE N N 15 116.7 . . 1 . . . . . . . . 4252 1 191 . 1 1 24 24 ILE H H 1 9.08 . . 1 . . . . . . . . 4252 1 192 . 1 1 24 24 ILE CA C 13 59.5 . . 1 . . . . . . . . 4252 1 193 . 1 1 24 24 ILE HA H 1 5.13 . . 1 . . . . . . . . 4252 1 194 . 1 1 24 24 ILE CB C 13 43.1 . . 1 . . . . . . . . 4252 1 195 . 1 1 24 24 ILE HB H 1 1.89 . . 1 . . . . . . . . 4252 1 196 . 1 1 24 24 ILE HG21 H 1 0.96 . . 1 . . . . . . . . 4252 1 197 . 1 1 24 24 ILE HG22 H 1 0.96 . . 1 . . . . . . . . 4252 1 198 . 1 1 24 24 ILE HG23 H 1 0.96 . . 1 . . . . . . . . 4252 1 199 . 1 1 24 24 ILE CG2 C 13 18.9 . . 1 . . . . . . . . 4252 1 200 . 1 1 24 24 ILE CG1 C 13 26.0 . . 1 . . . . . . . . 4252 1 201 . 1 1 24 24 ILE HG12 H 1 1.66 . . 1 . . . . . . . . 4252 1 202 . 1 1 24 24 ILE HG13 H 1 1.66 . . 1 . . . . . . . . 4252 1 203 . 1 1 25 25 THR N N 15 117.8 . . 1 . . . . . . . . 4252 1 204 . 1 1 25 25 THR H H 1 8.99 . . 1 . . . . . . . . 4252 1 205 . 1 1 25 25 THR CA C 13 59.7 . . 1 . . . . . . . . 4252 1 206 . 1 1 25 25 THR HA H 1 4.99 . . 1 . . . . . . . . 4252 1 207 . 1 1 25 25 THR CB C 13 71.6 . . 1 . . . . . . . . 4252 1 208 . 1 1 25 25 THR HB H 1 3.97 . . 1 . . . . . . . . 4252 1 209 . 1 1 25 25 THR HG21 H 1 1.32 . . 1 . . . . . . . . 4252 1 210 . 1 1 25 25 THR HG22 H 1 1.32 . . 1 . . . . . . . . 4252 1 211 . 1 1 25 25 THR HG23 H 1 1.32 . . 1 . . . . . . . . 4252 1 212 . 1 1 25 25 THR CG2 C 13 21.4 . . 1 . . . . . . . . 4252 1 213 . 1 1 26 26 LYS N N 15 124.3 . . 1 . . . . . . . . 4252 1 214 . 1 1 26 26 LYS H H 1 8.90 . . 1 . . . . . . . . 4252 1 215 . 1 1 26 26 LYS CA C 13 58.8 . . 1 . . . . . . . . 4252 1 216 . 1 1 26 26 LYS HA H 1 3.33 . . 1 . . . . . . . . 4252 1 217 . 1 1 26 26 LYS CB C 13 32.4 . . 1 . . . . . . . . 4252 1 218 . 1 1 26 26 LYS HB2 H 1 1.70 . . 2 . . . . . . . . 4252 1 219 . 1 1 26 26 LYS HB3 H 1 1.57 . . 2 . . . . . . . . 4252 1 220 . 1 1 26 26 LYS CG C 13 24.0 . . 1 . . . . . . . . 4252 1 221 . 1 1 26 26 LYS HG2 H 1 1.23 . . 2 . . . . . . . . 4252 1 222 . 1 1 26 26 LYS HG3 H 1 1.18 . . 2 . . . . . . . . 4252 1 223 . 1 1 26 26 LYS CD C 13 29.5 . . 1 . . . . . . . . 4252 1 224 . 1 1 26 26 LYS HD2 H 1 1.72 . . 1 . . . . . . . . 4252 1 225 . 1 1 26 26 LYS HD3 H 1 1.72 . . 1 . . . . . . . . 4252 1 226 . 1 1 26 26 LYS CE C 13 41.7 . . 1 . . . . . . . . 4252 1 227 . 1 1 26 26 LYS HE2 H 1 3.04 . . 1 . . . . . . . . 4252 1 228 . 1 1 26 26 LYS HE3 H 1 3.04 . . 1 . . . . . . . . 4252 1 229 . 1 1 27 27 GLY N N 15 115.0 . . 1 . . . . . . . . 4252 1 230 . 1 1 27 27 GLY H H 1 9.04 . . 1 . . . . . . . . 4252 1 231 . 1 1 27 27 GLY CA C 13 44.6 . . 1 . . . . . . . . 4252 1 232 . 1 1 27 27 GLY HA2 H 1 4.42 . . 2 . . . . . . . . 4252 1 233 . 1 1 27 27 GLY HA3 H 1 3.48 . . 2 . . . . . . . . 4252 1 234 . 1 1 28 28 GLU N N 15 124.1 . . 1 . . . . . . . . 4252 1 235 . 1 1 28 28 GLU H H 1 8.56 . . 1 . . . . . . . . 4252 1 236 . 1 1 28 28 GLU CA C 13 57.1 . . 1 . . . . . . . . 4252 1 237 . 1 1 28 28 GLU HA H 1 4.30 . . 1 . . . . . . . . 4252 1 238 . 1 1 28 28 GLU CB C 13 31.5 . . 1 . . . . . . . . 4252 1 239 . 1 1 28 28 GLU HB2 H 1 2.39 . . 2 . . . . . . . . 4252 1 240 . 1 1 28 28 GLU HB3 H 1 2.15 . . 2 . . . . . . . . 4252 1 241 . 1 1 28 28 GLU CG C 13 36.2 . . 1 . . . . . . . . 4252 1 242 . 1 1 28 28 GLU HG2 H 1 2.53 . . 2 . . . . . . . . 4252 1 243 . 1 1 28 28 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 4252 1 244 . 1 1 29 29 LYS N N 15 122.5 . . 1 . . . . . . . . 4252 1 245 . 1 1 29 29 LYS H H 1 8.38 . . 1 . . . . . . . . 4252 1 246 . 1 1 29 29 LYS CA C 13 55.3 . . 1 . . . . . . . . 4252 1 247 . 1 1 29 29 LYS HA H 1 5.25 . . 1 . . . . . . . . 4252 1 248 . 1 1 29 29 LYS CB C 13 33.4 . . 1 . . . . . . . . 4252 1 249 . 1 1 29 29 LYS HB2 H 1 1.94 . . 2 . . . . . . . . 4252 1 250 . 1 1 29 29 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 4252 1 251 . 1 1 29 29 LYS CG C 13 25.5 . . 1 . . . . . . . . 4252 1 252 . 1 1 29 29 LYS HG2 H 1 1.73 . . 2 . . . . . . . . 4252 1 253 . 1 1 29 29 LYS HG3 H 1 1.51 . . 2 . . . . . . . . 4252 1 254 . 1 1 29 29 LYS CD C 13 28.5 . . 1 . . . . . . . . 4252 1 255 . 1 1 29 29 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 4252 1 256 . 1 1 29 29 LYS HD3 H 1 1.75 . . 1 . . . . . . . . 4252 1 257 . 1 1 29 29 LYS CE C 13 42.2 . . 1 . . . . . . . . 4252 1 258 . 1 1 29 29 LYS HE2 H 1 3.10 . . 2 . . . . . . . . 4252 1 259 . 1 1 29 29 LYS HE3 H 1 3.03 . . 2 . . . . . . . . 4252 1 260 . 1 1 30 30 LEU N N 15 119.4 . . 1 . . . . . . . . 4252 1 261 . 1 1 30 30 LEU H H 1 9.16 . . 1 . . . . . . . . 4252 1 262 . 1 1 30 30 LEU CA C 13 54.0 . . 1 . . . . . . . . 4252 1 263 . 1 1 30 30 LEU HA H 1 4.93 . . 1 . . . . . . . . 4252 1 264 . 1 1 30 30 LEU CB C 13 45.2 . . 1 . . . . . . . . 4252 1 265 . 1 1 30 30 LEU HB2 H 1 1.64 . . 2 . . . . . . . . 4252 1 266 . 1 1 30 30 LEU HB3 H 1 1.31 . . 2 . . . . . . . . 4252 1 267 . 1 1 30 30 LEU CG C 13 26.0 . . 1 . . . . . . . . 4252 1 268 . 1 1 30 30 LEU HG H 1 1.61 . . 1 . . . . . . . . 4252 1 269 . 1 1 30 30 LEU HD11 H 1 0.75 . . 2 . . . . . . . . 4252 1 270 . 1 1 30 30 LEU HD12 H 1 0.75 . . 2 . . . . . . . . 4252 1 271 . 1 1 30 30 LEU HD13 H 1 0.75 . . 2 . . . . . . . . 4252 1 272 . 1 1 30 30 LEU HD21 H 1 0.68 . . 2 . . . . . . . . 4252 1 273 . 1 1 30 30 LEU HD22 H 1 0.68 . . 2 . . . . . . . . 4252 1 274 . 1 1 30 30 LEU HD23 H 1 0.68 . . 2 . . . . . . . . 4252 1 275 . 1 1 30 30 LEU CD1 C 13 27.5 . . 1 . . . . . . . . 4252 1 276 . 1 1 30 30 LEU CD2 C 13 28.0 . . 1 . . . . . . . . 4252 1 277 . 1 1 31 31 ARG N N 15 120.4 . . 1 . . . . . . . . 4252 1 278 . 1 1 31 31 ARG H H 1 8.34 . . 1 . . . . . . . . 4252 1 279 . 1 1 31 31 ARG CA C 13 54.2 . . 1 . . . . . . . . 4252 1 280 . 1 1 31 31 ARG HA H 1 5.14 . . 1 . . . . . . . . 4252 1 281 . 1 1 31 31 ARG CB C 13 32.2 . . 1 . . . . . . . . 4252 1 282 . 1 1 31 31 ARG HB2 H 1 1.74 . . 2 . . . . . . . . 4252 1 283 . 1 1 31 31 ARG HB3 H 1 1.68 . . 2 . . . . . . . . 4252 1 284 . 1 1 31 31 ARG CG C 13 27.5 . . 1 . . . . . . . . 4252 1 285 . 1 1 31 31 ARG HG2 H 1 1.66 . . 2 . . . . . . . . 4252 1 286 . 1 1 31 31 ARG HG3 H 1 1.46 . . 2 . . . . . . . . 4252 1 287 . 1 1 31 31 ARG CD C 13 43.3 . . 1 . . . . . . . . 4252 1 288 . 1 1 31 31 ARG HD2 H 1 3.16 . . 1 . . . . . . . . 4252 1 289 . 1 1 31 31 ARG HD3 H 1 3.16 . . 1 . . . . . . . . 4252 1 290 . 1 1 32 32 VAL N N 15 124.3 . . 1 . . . . . . . . 4252 1 291 . 1 1 32 32 VAL H H 1 8.77 . . 1 . . . . . . . . 4252 1 292 . 1 1 32 32 VAL CA C 13 62.4 . . 1 . . . . . . . . 4252 1 293 . 1 1 32 32 VAL HA H 1 4.13 . . 1 . . . . . . . . 4252 1 294 . 1 1 32 32 VAL CB C 13 32.7 . . 1 . . . . . . . . 4252 1 295 . 1 1 32 32 VAL HB H 1 1.49 . . 1 . . . . . . . . 4252 1 296 . 1 1 32 32 VAL HG11 H 1 0.28 . . 2 . . . . . . . . 4252 1 297 . 1 1 32 32 VAL HG12 H 1 0.28 . . 2 . . . . . . . . 4252 1 298 . 1 1 32 32 VAL HG13 H 1 0.28 . . 2 . . . . . . . . 4252 1 299 . 1 1 32 32 VAL HG21 H 1 -0.19 . . 2 . . . . . . . . 4252 1 300 . 1 1 32 32 VAL HG22 H 1 -0.19 . . 2 . . . . . . . . 4252 1 301 . 1 1 32 32 VAL HG23 H 1 -0.19 . . 2 . . . . . . . . 4252 1 302 . 1 1 32 32 VAL CG1 C 13 20.4 . . 1 . . . . . . . . 4252 1 303 . 1 1 32 32 VAL CG2 C 13 22.4 . . 1 . . . . . . . . 4252 1 304 . 1 1 33 33 LEU N N 15 128.4 . . 1 . . . . . . . . 4252 1 305 . 1 1 33 33 LEU H H 1 9.24 . . 1 . . . . . . . . 4252 1 306 . 1 1 33 33 LEU CA C 13 55.0 . . 1 . . . . . . . . 4252 1 307 . 1 1 33 33 LEU HA H 1 4.24 . . 1 . . . . . . . . 4252 1 308 . 1 1 33 33 LEU CB C 13 42.3 . . 1 . . . . . . . . 4252 1 309 . 1 1 33 33 LEU HB2 H 1 1.46 . . 2 . . . . . . . . 4252 1 310 . 1 1 33 33 LEU HB3 H 1 1.19 . . 2 . . . . . . . . 4252 1 311 . 1 1 33 33 LEU CG C 13 28.0 . . 1 . . . . . . . . 4252 1 312 . 1 1 33 33 LEU HG H 1 1.35 . . 1 . . . . . . . . 4252 1 313 . 1 1 33 33 LEU HD11 H 1 0.62 . . 2 . . . . . . . . 4252 1 314 . 1 1 33 33 LEU HD12 H 1 0.62 . . 2 . . . . . . . . 4252 1 315 . 1 1 33 33 LEU HD13 H 1 0.62 . . 2 . . . . . . . . 4252 1 316 . 1 1 33 33 LEU HD21 H 1 0.57 . . 2 . . . . . . . . 4252 1 317 . 1 1 33 33 LEU HD22 H 1 0.57 . . 2 . . . . . . . . 4252 1 318 . 1 1 33 33 LEU HD23 H 1 0.57 . . 2 . . . . . . . . 4252 1 319 . 1 1 33 33 LEU CD1 C 13 22.4 . . 1 . . . . . . . . 4252 1 320 . 1 1 33 33 LEU CD2 C 13 24.5 . . 1 . . . . . . . . 4252 1 321 . 1 1 34 34 GLY N N 15 105.7 . . 1 . . . . . . . . 4252 1 322 . 1 1 34 34 GLY H H 1 7.05 . . 1 . . . . . . . . 4252 1 323 . 1 1 34 34 GLY CA C 13 44.5 . . 1 . . . . . . . . 4252 1 324 . 1 1 34 34 GLY HA2 H 1 3.84 . . 2 . . . . . . . . 4252 1 325 . 1 1 34 34 GLY HA3 H 1 3.79 . . 2 . . . . . . . . 4252 1 326 . 1 1 35 35 TYR N N 15 115.7 . . 1 . . . . . . . . 4252 1 327 . 1 1 35 35 TYR H H 1 8.61 . . 1 . . . . . . . . 4252 1 328 . 1 1 35 35 TYR CA C 13 57.3 . . 1 . . . . . . . . 4252 1 329 . 1 1 35 35 TYR HA H 1 5.80 . . 1 . . . . . . . . 4252 1 330 . 1 1 35 35 TYR CB C 13 43.7 . . 1 . . . . . . . . 4252 1 331 . 1 1 35 35 TYR HB2 H 1 3.39 . . 2 . . . . . . . . 4252 1 332 . 1 1 35 35 TYR HB3 H 1 2.93 . . 2 . . . . . . . . 4252 1 333 . 1 1 36 36 ASN N N 15 120.0 . . 1 . . . . . . . . 4252 1 334 . 1 1 36 36 ASN H H 1 9.10 . . 1 . . . . . . . . 4252 1 335 . 1 1 36 36 ASN CA C 13 52.4 . . 1 . . . . . . . . 4252 1 336 . 1 1 36 36 ASN HA H 1 4.94 . . 1 . . . . . . . . 4252 1 337 . 1 1 36 36 ASN CB C 13 38.4 . . 1 . . . . . . . . 4252 1 338 . 1 1 36 36 ASN HB2 H 1 3.33 . . 2 . . . . . . . . 4252 1 339 . 1 1 36 36 ASN HB3 H 1 2.32 . . 2 . . . . . . . . 4252 1 340 . 1 1 37 37 HIS CA C 13 59.8 . . 1 . . . . . . . . 4252 1 341 . 1 1 37 37 HIS CB C 13 30.0 . . 1 . . . . . . . . 4252 1 342 . 1 1 38 38 ASN N N 15 113.3 . . 1 . . . . . . . . 4252 1 343 . 1 1 38 38 ASN H H 1 6.49 . . 1 . . . . . . . . 4252 1 344 . 1 1 38 38 ASN CA C 13 50.9 . . 1 . . . . . . . . 4252 1 345 . 1 1 38 38 ASN HA H 1 4.75 . . 1 . . . . . . . . 4252 1 346 . 1 1 38 38 ASN CB C 13 37.9 . . 1 . . . . . . . . 4252 1 347 . 1 1 38 38 ASN HB2 H 1 3.22 . . 2 . . . . . . . . 4252 1 348 . 1 1 38 38 ASN HB3 H 1 2.43 . . 2 . . . . . . . . 4252 1 349 . 1 1 39 39 GLY N N 15 106.8 . . 1 . . . . . . . . 4252 1 350 . 1 1 39 39 GLY H H 1 7.49 . . 1 . . . . . . . . 4252 1 351 . 1 1 39 39 GLY CA C 13 45.8 . . 1 . . . . . . . . 4252 1 352 . 1 1 39 39 GLY HA2 H 1 4.14 . . 2 . . . . . . . . 4252 1 353 . 1 1 39 39 GLY HA3 H 1 3.62 . . 2 . . . . . . . . 4252 1 354 . 1 1 40 40 GLU N N 15 122.3 . . 1 . . . . . . . . 4252 1 355 . 1 1 40 40 GLU H H 1 8.36 . . 1 . . . . . . . . 4252 1 356 . 1 1 40 40 GLU CA C 13 58.9 . . 1 . . . . . . . . 4252 1 357 . 1 1 40 40 GLU HA H 1 4.02 . . 1 . . . . . . . . 4252 1 358 . 1 1 40 40 GLU CB C 13 30.0 . . 1 . . . . . . . . 4252 1 359 . 1 1 40 40 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 4252 1 360 . 1 1 40 40 GLU HB3 H 1 1.60 . . 2 . . . . . . . . 4252 1 361 . 1 1 40 40 GLU CG C 13 37.2 . . 1 . . . . . . . . 4252 1 362 . 1 1 40 40 GLU HG2 H 1 2.07 . . 1 . . . . . . . . 4252 1 363 . 1 1 40 40 GLU HG3 H 1 2.07 . . 1 . . . . . . . . 4252 1 364 . 1 1 41 41 TRP N N 15 118.3 . . 1 . . . . . . . . 4252 1 365 . 1 1 41 41 TRP H H 1 8.30 . . 1 . . . . . . . . 4252 1 366 . 1 1 41 41 TRP CA C 13 55.6 . . 1 . . . . . . . . 4252 1 367 . 1 1 41 41 TRP HA H 1 5.19 . . 1 . . . . . . . . 4252 1 368 . 1 1 41 41 TRP CB C 13 33.7 . . 1 . . . . . . . . 4252 1 369 . 1 1 41 41 TRP HB2 H 1 3.49 . . 2 . . . . . . . . 4252 1 370 . 1 1 41 41 TRP HB3 H 1 2.45 . . 2 . . . . . . . . 4252 1 371 . 1 1 42 42 ALA N N 15 124.5 . . 1 . . . . . . . . 4252 1 372 . 1 1 42 42 ALA H H 1 9.82 . . 1 . . . . . . . . 4252 1 373 . 1 1 42 42 ALA CA C 13 49.6 . . 1 . . . . . . . . 4252 1 374 . 1 1 42 42 ALA HA H 1 4.98 . . 1 . . . . . . . . 4252 1 375 . 1 1 42 42 ALA HB1 H 1 0.96 . . 1 . . . . . . . . 4252 1 376 . 1 1 42 42 ALA HB2 H 1 0.96 . . 1 . . . . . . . . 4252 1 377 . 1 1 42 42 ALA HB3 H 1 0.96 . . 1 . . . . . . . . 4252 1 378 . 1 1 42 42 ALA CB C 13 21.4 . . 1 . . . . . . . . 4252 1 379 . 1 1 43 43 GLU N N 15 126.8 . . 1 . . . . . . . . 4252 1 380 . 1 1 43 43 GLU H H 1 8.47 . . 1 . . . . . . . . 4252 1 381 . 1 1 43 43 GLU CA C 13 55.1 . . 1 . . . . . . . . 4252 1 382 . 1 1 43 43 GLU HA H 1 3.36 . . 1 . . . . . . . . 4252 1 383 . 1 1 43 43 GLU CB C 13 27.3 . . 1 . . . . . . . . 4252 1 384 . 1 1 43 43 GLU HB2 H 1 1.11 . . 2 . . . . . . . . 4252 1 385 . 1 1 43 43 GLU HB3 H 1 -0.42 . . 2 . . . . . . . . 4252 1 386 . 1 1 43 43 GLU CG C 13 36.2 . . 1 . . . . . . . . 4252 1 387 . 1 1 43 43 GLU HG2 H 1 1.31 . . 2 . . . . . . . . 4252 1 388 . 1 1 43 43 GLU HG3 H 1 0.61 . . 2 . . . . . . . . 4252 1 389 . 1 1 44 44 ALA N N 15 130.7 . . 1 . . . . . . . . 4252 1 390 . 1 1 44 44 ALA H H 1 9.11 . . 1 . . . . . . . . 4252 1 391 . 1 1 44 44 ALA CA C 13 49.6 . . 1 . . . . . . . . 4252 1 392 . 1 1 44 44 ALA HA H 1 5.30 . . 1 . . . . . . . . 4252 1 393 . 1 1 44 44 ALA HB1 H 1 1.10 . . 1 . . . . . . . . 4252 1 394 . 1 1 44 44 ALA HB2 H 1 1.10 . . 1 . . . . . . . . 4252 1 395 . 1 1 44 44 ALA HB3 H 1 1.10 . . 1 . . . . . . . . 4252 1 396 . 1 1 44 44 ALA CB C 13 24.6 . . 1 . . . . . . . . 4252 1 397 . 1 1 45 45 GLN N N 15 117.2 . . 1 . . . . . . . . 4252 1 398 . 1 1 45 45 GLN H H 1 8.83 . . 1 . . . . . . . . 4252 1 399 . 1 1 45 45 GLN CA C 13 54.6 . . 1 . . . . . . . . 4252 1 400 . 1 1 45 45 GLN HA H 1 5.17 . . 1 . . . . . . . . 4252 1 401 . 1 1 45 45 GLN CB C 13 32.4 . . 1 . . . . . . . . 4252 1 402 . 1 1 45 45 GLN HB2 H 1 1.98 . . 2 . . . . . . . . 4252 1 403 . 1 1 45 45 GLN HB3 H 1 1.80 . . 2 . . . . . . . . 4252 1 404 . 1 1 45 45 GLN CG C 13 34.2 . . 1 . . . . . . . . 4252 1 405 . 1 1 45 45 GLN HG2 H 1 2.28 . . 2 . . . . . . . . 4252 1 406 . 1 1 45 45 GLN HG3 H 1 2.23 . . 2 . . . . . . . . 4252 1 407 . 1 1 46 46 THR N N 15 117.6 . . 1 . . . . . . . . 4252 1 408 . 1 1 46 46 THR H H 1 9.16 . . 1 . . . . . . . . 4252 1 409 . 1 1 46 46 THR CA C 13 59.3 . . 1 . . . . . . . . 4252 1 410 . 1 1 46 46 THR HA H 1 4.98 . . 1 . . . . . . . . 4252 1 411 . 1 1 46 46 THR CB C 13 72.5 . . 1 . . . . . . . . 4252 1 412 . 1 1 46 46 THR HB H 1 4.97 . . 1 . . . . . . . . 4252 1 413 . 1 1 46 46 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4252 1 414 . 1 1 46 46 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4252 1 415 . 1 1 46 46 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4252 1 416 . 1 1 46 46 THR CG2 C 13 21.9 . . 1 . . . . . . . . 4252 1 417 . 1 1 47 47 LYS N N 15 118.4 . . 1 . . . . . . . . 4252 1 418 . 1 1 47 47 LYS H H 1 8.91 . . 1 . . . . . . . . 4252 1 419 . 1 1 47 47 LYS CA C 13 58.5 . . 1 . . . . . . . . 4252 1 420 . 1 1 47 47 LYS HA H 1 4.25 . . 1 . . . . . . . . 4252 1 421 . 1 1 47 47 LYS CB C 13 31.8 . . 1 . . . . . . . . 4252 1 422 . 1 1 47 47 LYS HB2 H 1 1.97 . . 2 . . . . . . . . 4252 1 423 . 1 1 47 47 LYS HB3 H 1 1.90 . . 2 . . . . . . . . 4252 1 424 . 1 1 47 47 LYS CG C 13 24.3 . . 1 . . . . . . . . 4252 1 425 . 1 1 47 47 LYS HG2 H 1 1.56 . . 2 . . . . . . . . 4252 1 426 . 1 1 47 47 LYS HG3 H 1 1.49 . . 2 . . . . . . . . 4252 1 427 . 1 1 47 47 LYS CD C 13 29.0 . . 1 . . . . . . . . 4252 1 428 . 1 1 47 47 LYS HD2 H 1 1.77 . . 1 . . . . . . . . 4252 1 429 . 1 1 47 47 LYS HD3 H 1 1.77 . . 1 . . . . . . . . 4252 1 430 . 1 1 47 47 LYS CE C 13 42.2 . . 1 . . . . . . . . 4252 1 431 . 1 1 47 47 LYS HE2 H 1 3.09 . . 1 . . . . . . . . 4252 1 432 . 1 1 47 47 LYS HE3 H 1 3.09 . . 1 . . . . . . . . 4252 1 433 . 1 1 48 48 ASN N N 15 113.8 . . 1 . . . . . . . . 4252 1 434 . 1 1 48 48 ASN H H 1 8.27 . . 1 . . . . . . . . 4252 1 435 . 1 1 48 48 ASN CA C 13 53.3 . . 1 . . . . . . . . 4252 1 436 . 1 1 48 48 ASN HA H 1 4.89 . . 1 . . . . . . . . 4252 1 437 . 1 1 48 48 ASN CB C 13 40.1 . . 1 . . . . . . . . 4252 1 438 . 1 1 48 48 ASN HB2 H 1 2.94 . . 2 . . . . . . . . 4252 1 439 . 1 1 48 48 ASN HB3 H 1 2.65 . . 2 . . . . . . . . 4252 1 440 . 1 1 49 49 GLY N N 15 107.9 . . 1 . . . . . . . . 4252 1 441 . 1 1 49 49 GLY H H 1 7.50 . . 1 . . . . . . . . 4252 1 442 . 1 1 49 49 GLY CA C 13 45.0 . . 1 . . . . . . . . 4252 1 443 . 1 1 49 49 GLY HA2 H 1 4.28 . . 2 . . . . . . . . 4252 1 444 . 1 1 49 49 GLY HA3 H 1 3.82 . . 2 . . . . . . . . 4252 1 445 . 1 1 50 50 GLN N N 15 119.7 . . 1 . . . . . . . . 4252 1 446 . 1 1 50 50 GLN H H 1 8.21 . . 1 . . . . . . . . 4252 1 447 . 1 1 50 50 GLN CA C 13 53.4 . . 1 . . . . . . . . 4252 1 448 . 1 1 50 50 GLN HA H 1 5.62 . . 1 . . . . . . . . 4252 1 449 . 1 1 50 50 GLN CB C 13 31.6 . . 1 . . . . . . . . 4252 1 450 . 1 1 50 50 GLN HB2 H 1 2.08 . . 2 . . . . . . . . 4252 1 451 . 1 1 50 50 GLN HB3 H 1 1.81 . . 2 . . . . . . . . 4252 1 452 . 1 1 50 50 GLN CG C 13 33.1 . . 1 . . . . . . . . 4252 1 453 . 1 1 50 50 GLN HG2 H 1 2.10 . . 1 . . . . . . . . 4252 1 454 . 1 1 50 50 GLN HG3 H 1 2.10 . . 1 . . . . . . . . 4252 1 455 . 1 1 51 51 GLY N N 15 112.8 . . 1 . . . . . . . . 4252 1 456 . 1 1 51 51 GLY H H 1 8.80 . . 1 . . . . . . . . 4252 1 457 . 1 1 51 51 GLY CA C 13 45.1 . . 1 . . . . . . . . 4252 1 458 . 1 1 51 51 GLY HA2 H 1 4.00 . . 2 . . . . . . . . 4252 1 459 . 1 1 51 51 GLY HA3 H 1 3.98 . . 2 . . . . . . . . 4252 1 460 . 1 1 52 52 TRP N N 15 121.3 . . 1 . . . . . . . . 4252 1 461 . 1 1 52 52 TRP H H 1 8.87 . . 1 . . . . . . . . 4252 1 462 . 1 1 52 52 TRP CA C 13 57.0 . . 1 . . . . . . . . 4252 1 463 . 1 1 52 52 TRP HA H 1 5.40 . . 1 . . . . . . . . 4252 1 464 . 1 1 52 52 TRP CB C 13 30.8 . . 1 . . . . . . . . 4252 1 465 . 1 1 52 52 TRP HB2 H 1 2.99 . . 2 . . . . . . . . 4252 1 466 . 1 1 52 52 TRP HB3 H 1 2.44 . . 2 . . . . . . . . 4252 1 467 . 1 1 53 53 VAL N N 15 115.0 . . 1 . . . . . . . . 4252 1 468 . 1 1 53 53 VAL H H 1 9.95 . . 1 . . . . . . . . 4252 1 469 . 1 1 53 53 VAL CA C 13 57.2 . . 1 . . . . . . . . 4252 1 470 . 1 1 53 53 VAL HA H 1 5.04 . . 1 . . . . . . . . 4252 1 471 . 1 1 53 53 VAL CB C 13 33.1 . . 1 . . . . . . . . 4252 1 472 . 1 1 53 53 VAL HB H 1 1.90 . . 1 . . . . . . . . 4252 1 473 . 1 1 53 53 VAL HG11 H 1 1.20 . . 2 . . . . . . . . 4252 1 474 . 1 1 53 53 VAL HG12 H 1 1.20 . . 2 . . . . . . . . 4252 1 475 . 1 1 53 53 VAL HG13 H 1 1.20 . . 2 . . . . . . . . 4252 1 476 . 1 1 53 53 VAL HG21 H 1 0.68 . . 2 . . . . . . . . 4252 1 477 . 1 1 53 53 VAL HG22 H 1 0.68 . . 2 . . . . . . . . 4252 1 478 . 1 1 53 53 VAL HG23 H 1 0.68 . . 2 . . . . . . . . 4252 1 479 . 1 1 53 53 VAL CG1 C 13 22.4 . . 1 . . . . . . . . 4252 1 480 . 1 1 53 53 VAL CG2 C 13 18.9 . . 1 . . . . . . . . 4252 1 481 . 1 1 55 55 SER N N 15 123.0 . . 1 . . . . . . . . 4252 1 482 . 1 1 55 55 SER H H 1 8.52 . . 1 . . . . . . . . 4252 1 483 . 1 1 55 55 SER CA C 13 61.3 . . 1 . . . . . . . . 4252 1 484 . 1 1 55 55 SER HA H 1 4.03 . . 1 . . . . . . . . 4252 1 485 . 1 1 55 55 SER CB C 13 63.1 . . 1 . . . . . . . . 4252 1 486 . 1 1 55 55 SER HB2 H 1 3.93 . . 2 . . . . . . . . 4252 1 487 . 1 1 55 55 SER HB3 H 1 3.86 . . 2 . . . . . . . . 4252 1 488 . 1 1 56 56 ASN N N 15 113.8 . . 1 . . . . . . . . 4252 1 489 . 1 1 56 56 ASN H H 1 8.52 . . 1 . . . . . . . . 4252 1 490 . 1 1 56 56 ASN CA C 13 52.7 . . 1 . . . . . . . . 4252 1 491 . 1 1 56 56 ASN HA H 1 4.97 . . 1 . . . . . . . . 4252 1 492 . 1 1 56 56 ASN CB C 13 36.6 . . 1 . . . . . . . . 4252 1 493 . 1 1 56 56 ASN HB2 H 1 3.19 . . 2 . . . . . . . . 4252 1 494 . 1 1 56 56 ASN HB3 H 1 2.90 . . 2 . . . . . . . . 4252 1 495 . 1 1 57 57 TYR N N 15 118.0 . . 1 . . . . . . . . 4252 1 496 . 1 1 57 57 TYR H H 1 7.97 . . 1 . . . . . . . . 4252 1 497 . 1 1 57 57 TYR CA C 13 57.8 . . 1 . . . . . . . . 4252 1 498 . 1 1 57 57 TYR HA H 1 4.99 . . 1 . . . . . . . . 4252 1 499 . 1 1 57 57 TYR CB C 13 37.9 . . 1 . . . . . . . . 4252 1 500 . 1 1 57 57 TYR HB2 H 1 3.56 . . 2 . . . . . . . . 4252 1 501 . 1 1 57 57 TYR HB3 H 1 3.34 . . 2 . . . . . . . . 4252 1 502 . 1 1 58 58 ILE N N 15 111.3 . . 1 . . . . . . . . 4252 1 503 . 1 1 58 58 ILE H H 1 7.44 . . 1 . . . . . . . . 4252 1 504 . 1 1 58 58 ILE CA C 13 59.3 . . 1 . . . . . . . . 4252 1 505 . 1 1 58 58 ILE HA H 1 5.49 . . 1 . . . . . . . . 4252 1 506 . 1 1 58 58 ILE CB C 13 42.3 . . 1 . . . . . . . . 4252 1 507 . 1 1 58 58 ILE HB H 1 1.81 . . 1 . . . . . . . . 4252 1 508 . 1 1 58 58 ILE HG21 H 1 0.76 . . 1 . . . . . . . . 4252 1 509 . 1 1 58 58 ILE HG22 H 1 0.76 . . 1 . . . . . . . . 4252 1 510 . 1 1 58 58 ILE HG23 H 1 0.76 . . 1 . . . . . . . . 4252 1 511 . 1 1 58 58 ILE CG2 C 13 17.9 . . 1 . . . . . . . . 4252 1 512 . 1 1 58 58 ILE HG12 H 1 1.51 . . 2 . . . . . . . . 4252 1 513 . 1 1 58 58 ILE HG13 H 1 1.42 . . 2 . . . . . . . . 4252 1 514 . 1 1 58 58 ILE HD11 H 1 0.18 . . 1 . . . . . . . . 4252 1 515 . 1 1 58 58 ILE HD12 H 1 0.18 . . 1 . . . . . . . . 4252 1 516 . 1 1 58 58 ILE HD13 H 1 0.18 . . 1 . . . . . . . . 4252 1 517 . 1 1 58 58 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 4252 1 518 . 1 1 59 59 THR N N 15 116.1 . . 1 . . . . . . . . 4252 1 519 . 1 1 59 59 THR H H 1 8.81 . . 1 . . . . . . . . 4252 1 520 . 1 1 59 59 THR CA C 13 58.8 . . 1 . . . . . . . . 4252 1 521 . 1 1 59 59 THR HA H 1 5.33 . . 1 . . . . . . . . 4252 1 522 . 1 1 59 59 THR CB C 13 72.7 . . 1 . . . . . . . . 4252 1 523 . 1 1 59 59 THR HB H 1 3.98 . . 1 . . . . . . . . 4252 1 524 . 1 1 59 59 THR HG21 H 1 1.13 . . 1 . . . . . . . . 4252 1 525 . 1 1 59 59 THR HG22 H 1 1.13 . . 1 . . . . . . . . 4252 1 526 . 1 1 59 59 THR HG23 H 1 1.13 . . 1 . . . . . . . . 4252 1 527 . 1 1 59 59 THR CG2 C 13 19.9 . . 1 . . . . . . . . 4252 1 528 . 1 1 60 60 PRO CD C 13 49.9 . . 1 . . . . . . . . 4252 1 529 . 1 1 60 60 PRO CA C 13 63.3 . . 1 . . . . . . . . 4252 1 530 . 1 1 60 60 PRO HA H 1 4.84 . . 1 . . . . . . . . 4252 1 531 . 1 1 60 60 PRO CB C 13 34.1 . . 1 . . . . . . . . 4252 1 532 . 1 1 60 60 PRO HB2 H 1 2.40 . . 2 . . . . . . . . 4252 1 533 . 1 1 60 60 PRO HB3 H 1 2.24 . . 2 . . . . . . . . 4252 1 534 . 1 1 60 60 PRO HG2 H 1 1.99 . . 2 . . . . . . . . 4252 1 535 . 1 1 60 60 PRO HG3 H 1 1.90 . . 2 . . . . . . . . 4252 1 536 . 1 1 60 60 PRO HD2 H 1 3.62 . . 2 . . . . . . . . 4252 1 537 . 1 1 60 60 PRO HD3 H 1 3.57 . . 2 . . . . . . . . 4252 1 538 . 1 1 61 61 VAL N N 15 120.6 . . 1 . . . . . . . . 4252 1 539 . 1 1 61 61 VAL H H 1 8.06 . . 1 . . . . . . . . 4252 1 540 . 1 1 61 61 VAL CA C 13 63.5 . . 1 . . . . . . . . 4252 1 541 . 1 1 61 61 VAL HA H 1 3.96 . . 1 . . . . . . . . 4252 1 542 . 1 1 61 61 VAL CB C 13 32.7 . . 1 . . . . . . . . 4252 1 543 . 1 1 61 61 VAL HB H 1 1.92 . . 1 . . . . . . . . 4252 1 544 . 1 1 61 61 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 4252 1 545 . 1 1 61 61 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 4252 1 546 . 1 1 61 61 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 4252 1 547 . 1 1 61 61 VAL HG21 H 1 0.85 . . 2 . . . . . . . . 4252 1 548 . 1 1 61 61 VAL HG22 H 1 0.85 . . 2 . . . . . . . . 4252 1 549 . 1 1 61 61 VAL HG23 H 1 0.85 . . 2 . . . . . . . . 4252 1 550 . 1 1 61 61 VAL CG1 C 13 21.9 . . 1 . . . . . . . . 4252 1 551 . 1 1 61 61 VAL CG2 C 13 21.4 . . 1 . . . . . . . . 4252 1 552 . 1 1 62 62 ASN N N 15 126.8 . . 1 . . . . . . . . 4252 1 553 . 1 1 62 62 ASN H H 1 7.91 . . 1 . . . . . . . . 4252 1 554 . 1 1 62 62 ASN CA C 13 54.7 . . 1 . . . . . . . . 4252 1 555 . 1 1 62 62 ASN HA H 1 4.50 . . 1 . . . . . . . . 4252 1 556 . 1 1 62 62 ASN CB C 13 41.2 . . 1 . . . . . . . . 4252 1 557 . 1 1 62 62 ASN HB2 H 1 2.79 . . 2 . . . . . . . . 4252 1 558 . 1 1 62 62 ASN HB3 H 1 2.64 . . 2 . . . . . . . . 4252 1 559 . 1 1 65 65 GLU N N 15 118.6 . . 1 . . . . . . . . 4252 1 560 . 1 1 65 65 GLU H H 1 8.78 . . 1 . . . . . . . . 4252 1 561 . 1 1 65 65 GLU CA C 13 57.9 . . 1 . . . . . . . . 4252 1 562 . 1 1 65 65 GLU HA H 1 4.08 . . 1 . . . . . . . . 4252 1 563 . 1 1 65 65 GLU CB C 13 29.0 . . 1 . . . . . . . . 4252 1 564 . 1 1 65 65 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 4252 1 565 . 1 1 65 65 GLU HB3 H 1 1.93 . . 2 . . . . . . . . 4252 1 566 . 1 1 65 65 GLU CG C 13 36.7 . . 1 . . . . . . . . 4252 1 567 . 1 1 65 65 GLU HG2 H 1 2.29 . . 1 . . . . . . . . 4252 1 568 . 1 1 65 65 GLU HG3 H 1 2.29 . . 1 . . . . . . . . 4252 1 569 . 1 1 66 66 LYS N N 15 116.1 . . 1 . . . . . . . . 4252 1 570 . 1 1 66 66 LYS H H 1 7.38 . . 1 . . . . . . . . 4252 1 571 . 1 1 66 66 LYS CA C 13 56.5 . . 1 . . . . . . . . 4252 1 572 . 1 1 66 66 LYS HA H 1 4.02 . . 1 . . . . . . . . 4252 1 573 . 1 1 66 66 LYS CB C 13 31.8 . . 1 . . . . . . . . 4252 1 574 . 1 1 66 66 LYS HB2 H 1 1.60 . . 2 . . . . . . . . 4252 1 575 . 1 1 66 66 LYS HB3 H 1 1.52 . . 2 . . . . . . . . 4252 1 576 . 1 1 66 66 LYS CG C 13 24.0 . . 1 . . . . . . . . 4252 1 577 . 1 1 66 66 LYS HG2 H 1 1.16 . . 2 . . . . . . . . 4252 1 578 . 1 1 66 66 LYS HG3 H 1 0.98 . . 2 . . . . . . . . 4252 1 579 . 1 1 66 66 LYS CD C 13 28.5 . . 1 . . . . . . . . 4252 1 580 . 1 1 66 66 LYS HD2 H 1 1.53 . . 1 . . . . . . . . 4252 1 581 . 1 1 66 66 LYS HD3 H 1 1.53 . . 1 . . . . . . . . 4252 1 582 . 1 1 66 66 LYS CE C 13 42.2 . . 1 . . . . . . . . 4252 1 583 . 1 1 66 66 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 4252 1 584 . 1 1 66 66 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 4252 1 585 . 1 1 67 67 HIS N N 15 119.1 . . 1 . . . . . . . . 4252 1 586 . 1 1 67 67 HIS H H 1 7.51 . . 1 . . . . . . . . 4252 1 587 . 1 1 67 67 HIS CA C 13 55.2 . . 1 . . . . . . . . 4252 1 588 . 1 1 67 67 HIS HA H 1 4.67 . . 1 . . . . . . . . 4252 1 589 . 1 1 67 67 HIS CB C 13 30.6 . . 1 . . . . . . . . 4252 1 590 . 1 1 67 67 HIS HB2 H 1 3.17 . . 2 . . . . . . . . 4252 1 591 . 1 1 67 67 HIS HB3 H 1 3.10 . . 2 . . . . . . . . 4252 1 592 . 1 1 68 68 SER N N 15 115.1 . . 1 . . . . . . . . 4252 1 593 . 1 1 68 68 SER H H 1 8.26 . . 1 . . . . . . . . 4252 1 594 . 1 1 68 68 SER CA C 13 60.5 . . 1 . . . . . . . . 4252 1 595 . 1 1 68 68 SER HA H 1 3.49 . . 1 . . . . . . . . 4252 1 596 . 1 1 68 68 SER CB C 13 63.1 . . 1 . . . . . . . . 4252 1 597 . 1 1 68 68 SER HB2 H 1 3.80 . . 2 . . . . . . . . 4252 1 598 . 1 1 68 68 SER HB3 H 1 3.89 . . 2 . . . . . . . . 4252 1 599 . 1 1 69 69 TRP N N 15 110.6 . . 1 . . . . . . . . 4252 1 600 . 1 1 69 69 TRP H H 1 6.46 . . 1 . . . . . . . . 4252 1 601 . 1 1 69 69 TRP CA C 13 53.9 . . 1 . . . . . . . . 4252 1 602 . 1 1 69 69 TRP HA H 1 4.50 . . 1 . . . . . . . . 4252 1 603 . 1 1 69 69 TRP CB C 13 31.8 . . 1 . . . . . . . . 4252 1 604 . 1 1 69 69 TRP HB2 H 1 3.60 . . 2 . . . . . . . . 4252 1 605 . 1 1 69 69 TRP HB3 H 1 2.69 . . 2 . . . . . . . . 4252 1 606 . 1 1 70 70 TYR N N 15 123.0 . . 1 . . . . . . . . 4252 1 607 . 1 1 70 70 TYR H H 1 7.58 . . 1 . . . . . . . . 4252 1 608 . 1 1 70 70 TYR CA C 13 58.4 . . 1 . . . . . . . . 4252 1 609 . 1 1 70 70 TYR HA H 1 5.19 . . 1 . . . . . . . . 4252 1 610 . 1 1 70 70 TYR CB C 13 37.4 . . 1 . . . . . . . . 4252 1 611 . 1 1 70 70 TYR HB2 H 1 2.51 . . 2 . . . . . . . . 4252 1 612 . 1 1 70 70 TYR HB3 H 1 3.10 . . 2 . . . . . . . . 4252 1 613 . 1 1 71 71 HIS N N 15 127.4 . . 1 . . . . . . . . 4252 1 614 . 1 1 71 71 HIS H H 1 9.00 . . 1 . . . . . . . . 4252 1 615 . 1 1 71 71 HIS CA C 13 56.2 . . 1 . . . . . . . . 4252 1 616 . 1 1 71 71 HIS HA H 1 4.51 . . 1 . . . . . . . . 4252 1 617 . 1 1 71 71 HIS CB C 13 33.6 . . 1 . . . . . . . . 4252 1 618 . 1 1 71 71 HIS HB2 H 1 3.35 . . 2 . . . . . . . . 4252 1 619 . 1 1 71 71 HIS HB3 H 1 2.65 . . 2 . . . . . . . . 4252 1 620 . 1 1 72 72 GLY N N 15 104.4 . . 1 . . . . . . . . 4252 1 621 . 1 1 72 72 GLY H H 1 5.64 . . 1 . . . . . . . . 4252 1 622 . 1 1 72 72 GLY CA C 13 45.4 . . 1 . . . . . . . . 4252 1 623 . 1 1 72 72 GLY HA2 H 1 4.32 . . 2 . . . . . . . . 4252 1 624 . 1 1 72 72 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 4252 1 625 . 1 1 74 74 VAL N N 15 124.1 . . 1 . . . . . . . . 4252 1 626 . 1 1 74 74 VAL H H 1 7.68 . . 1 . . . . . . . . 4252 1 627 . 1 1 74 74 VAL CA C 13 60.9 . . 1 . . . . . . . . 4252 1 628 . 1 1 74 74 VAL HA H 1 4.34 . . 1 . . . . . . . . 4252 1 629 . 1 1 74 74 VAL CB C 13 33.8 . . 1 . . . . . . . . 4252 1 630 . 1 1 74 74 VAL HB H 1 1.92 . . 1 . . . . . . . . 4252 1 631 . 1 1 74 74 VAL HG11 H 1 1.05 . . 2 . . . . . . . . 4252 1 632 . 1 1 74 74 VAL HG12 H 1 1.05 . . 2 . . . . . . . . 4252 1 633 . 1 1 74 74 VAL HG13 H 1 1.05 . . 2 . . . . . . . . 4252 1 634 . 1 1 74 74 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4252 1 635 . 1 1 74 74 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4252 1 636 . 1 1 74 74 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4252 1 637 . 1 1 74 74 VAL CG1 C 13 21.9 . . 1 . . . . . . . . 4252 1 638 . 1 1 74 74 VAL CG2 C 13 21.9 . . 1 . . . . . . . . 4252 1 639 . 1 1 75 75 SER N N 15 122.1 . . 1 . . . . . . . . 4252 1 640 . 1 1 75 75 SER H H 1 8.56 . . 1 . . . . . . . . 4252 1 641 . 1 1 75 75 SER CA C 13 57.8 . . 1 . . . . . . . . 4252 1 642 . 1 1 75 75 SER HA H 1 4.38 . . 1 . . . . . . . . 4252 1 643 . 1 1 75 75 SER CB C 13 63.4 . . 1 . . . . . . . . 4252 1 644 . 1 1 75 75 SER HB2 H 1 3.92 . . 2 . . . . . . . . 4252 1 645 . 1 1 75 75 SER HB3 H 1 3.79 . . 2 . . . . . . . . 4252 1 646 . 1 1 76 76 ARG CA C 13 60.8 . . 1 . . . . . . . . 4252 1 647 . 1 1 76 76 ARG CB C 13 30.0 . . 1 . . . . . . . . 4252 1 648 . 1 1 77 77 ASN N N 15 116.2 . . 1 . . . . . . . . 4252 1 649 . 1 1 77 77 ASN H H 1 8.90 . . 1 . . . . . . . . 4252 1 650 . 1 1 77 77 ASN CA C 13 56.2 . . 1 . . . . . . . . 4252 1 651 . 1 1 77 77 ASN HA H 1 4.37 . . 1 . . . . . . . . 4252 1 652 . 1 1 77 77 ASN CB C 13 38.2 . . 1 . . . . . . . . 4252 1 653 . 1 1 77 77 ASN HB2 H 1 2.77 . . 2 . . . . . . . . 4252 1 654 . 1 1 77 77 ASN HB3 H 1 2.66 . . 2 . . . . . . . . 4252 1 655 . 1 1 78 78 ALA N N 15 124.3 . . 1 . . . . . . . . 4252 1 656 . 1 1 78 78 ALA H H 1 8.28 . . 1 . . . . . . . . 4252 1 657 . 1 1 78 78 ALA CA C 13 54.9 . . 1 . . . . . . . . 4252 1 658 . 1 1 78 78 ALA HA H 1 4.21 . . 1 . . . . . . . . 4252 1 659 . 1 1 78 78 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4252 1 660 . 1 1 78 78 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4252 1 661 . 1 1 78 78 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4252 1 662 . 1 1 78 78 ALA CB C 13 18.2 . . 1 . . . . . . . . 4252 1 663 . 1 1 79 79 ALA N N 15 121.5 . . 1 . . . . . . . . 4252 1 664 . 1 1 79 79 ALA H H 1 8.68 . . 1 . . . . . . . . 4252 1 665 . 1 1 79 79 ALA CA C 13 54.9 . . 1 . . . . . . . . 4252 1 666 . 1 1 79 79 ALA HA H 1 3.94 . . 1 . . . . . . . . 4252 1 667 . 1 1 79 79 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4252 1 668 . 1 1 79 79 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4252 1 669 . 1 1 79 79 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4252 1 670 . 1 1 79 79 ALA CB C 13 18.4 . . 1 . . . . . . . . 4252 1 671 . 1 1 80 80 GLU N N 15 115.3 . . 1 . . . . . . . . 4252 1 672 . 1 1 80 80 GLU H H 1 8.05 . . 1 . . . . . . . . 4252 1 673 . 1 1 80 80 GLU CA C 13 60.5 . . 1 . . . . . . . . 4252 1 674 . 1 1 80 80 GLU HA H 1 3.83 . . 1 . . . . . . . . 4252 1 675 . 1 1 80 80 GLU CB C 13 27.8 . . 1 . . . . . . . . 4252 1 676 . 1 1 80 80 GLU HB2 H 1 2.32 . . 2 . . . . . . . . 4252 1 677 . 1 1 80 80 GLU HB3 H 1 2.06 . . 2 . . . . . . . . 4252 1 678 . 1 1 80 80 GLU CG C 13 37.2 . . 1 . . . . . . . . 4252 1 679 . 1 1 80 80 GLU HG2 H 1 2.93 . . 2 . . . . . . . . 4252 1 680 . 1 1 80 80 GLU HG3 H 1 2.08 . . 2 . . . . . . . . 4252 1 681 . 1 1 81 81 TYR N N 15 120.4 . . 1 . . . . . . . . 4252 1 682 . 1 1 81 81 TYR H H 1 7.92 . . 1 . . . . . . . . 4252 1 683 . 1 1 81 81 TYR CA C 13 61.3 . . 1 . . . . . . . . 4252 1 684 . 1 1 81 81 TYR HA H 1 4.32 . . 1 . . . . . . . . 4252 1 685 . 1 1 81 81 TYR CB C 13 37.4 . . 1 . . . . . . . . 4252 1 686 . 1 1 81 81 TYR HB2 H 1 3.26 . . 2 . . . . . . . . 4252 1 687 . 1 1 81 81 TYR HB3 H 1 3.20 . . 2 . . . . . . . . 4252 1 688 . 1 1 82 82 LEU N N 15 123.4 . . 1 . . . . . . . . 4252 1 689 . 1 1 82 82 LEU H H 1 8.70 . . 1 . . . . . . . . 4252 1 690 . 1 1 82 82 LEU CA C 13 58.0 . . 1 . . . . . . . . 4252 1 691 . 1 1 82 82 LEU HA H 1 3.92 . . 1 . . . . . . . . 4252 1 692 . 1 1 82 82 LEU CB C 13 42.2 . . 1 . . . . . . . . 4252 1 693 . 1 1 82 82 LEU HB2 H 1 1.89 . . 2 . . . . . . . . 4252 1 694 . 1 1 82 82 LEU HB3 H 1 1.39 . . 2 . . . . . . . . 4252 1 695 . 1 1 82 82 LEU CG C 13 27.5 . . 1 . . . . . . . . 4252 1 696 . 1 1 82 82 LEU HG H 1 1.88 . . 1 . . . . . . . . 4252 1 697 . 1 1 82 82 LEU HD11 H 1 1.02 . . 2 . . . . . . . . 4252 1 698 . 1 1 82 82 LEU HD12 H 1 1.02 . . 2 . . . . . . . . 4252 1 699 . 1 1 82 82 LEU HD13 H 1 1.02 . . 2 . . . . . . . . 4252 1 700 . 1 1 82 82 LEU HD21 H 1 1.01 . . 2 . . . . . . . . 4252 1 701 . 1 1 82 82 LEU HD22 H 1 1.01 . . 2 . . . . . . . . 4252 1 702 . 1 1 82 82 LEU HD23 H 1 1.01 . . 2 . . . . . . . . 4252 1 703 . 1 1 82 82 LEU CD1 C 13 25.5 . . 1 . . . . . . . . 4252 1 704 . 1 1 82 82 LEU CD2 C 13 23.7 . . 1 . . . . . . . . 4252 1 705 . 1 1 83 83 LEU N N 15 116.1 . . 1 . . . . . . . . 4252 1 706 . 1 1 83 83 LEU H H 1 7.64 . . 1 . . . . . . . . 4252 1 707 . 1 1 83 83 LEU CA C 13 54.5 . . 1 . . . . . . . . 4252 1 708 . 1 1 83 83 LEU HA H 1 4.34 . . 1 . . . . . . . . 4252 1 709 . 1 1 83 83 LEU CB C 13 42.1 . . 1 . . . . . . . . 4252 1 710 . 1 1 83 83 LEU HB2 H 1 1.65 . . 1 . . . . . . . . 4252 1 711 . 1 1 83 83 LEU HB3 H 1 1.65 . . 1 . . . . . . . . 4252 1 712 . 1 1 83 83 LEU HG H 1 1.48 . . 1 . . . . . . . . 4252 1 713 . 1 1 83 83 LEU HD11 H 1 0.63 . . 2 . . . . . . . . 4252 1 714 . 1 1 83 83 LEU HD12 H 1 0.63 . . 2 . . . . . . . . 4252 1 715 . 1 1 83 83 LEU HD13 H 1 0.63 . . 2 . . . . . . . . 4252 1 716 . 1 1 83 83 LEU CD1 C 13 27.0 . . 1 . . . . . . . . 4252 1 717 . 1 1 84 84 SER N N 15 116.7 . . 1 . . . . . . . . 4252 1 718 . 1 1 84 84 SER H H 1 7.59 . . 1 . . . . . . . . 4252 1 719 . 1 1 84 84 SER CA C 13 61.4 . . 1 . . . . . . . . 4252 1 720 . 1 1 84 84 SER HA H 1 4.20 . . 1 . . . . . . . . 4252 1 721 . 1 1 84 84 SER CB C 13 63.1 . . 1 . . . . . . . . 4252 1 722 . 1 1 84 84 SER HB2 H 1 4.05 . . 2 . . . . . . . . 4252 1 723 . 1 1 84 84 SER HB3 H 1 3.99 . . 2 . . . . . . . . 4252 1 724 . 1 1 85 85 SER N N 15 113.9 . . 1 . . . . . . . . 4252 1 725 . 1 1 85 85 SER H H 1 7.43 . . 1 . . . . . . . . 4252 1 726 . 1 1 85 85 SER CA C 13 57.1 . . 1 . . . . . . . . 4252 1 727 . 1 1 85 85 SER HA H 1 4.59 . . 1 . . . . . . . . 4252 1 728 . 1 1 85 85 SER CB C 13 64.0 . . 1 . . . . . . . . 4252 1 729 . 1 1 85 85 SER HB2 H 1 3.93 . . 2 . . . . . . . . 4252 1 730 . 1 1 85 85 SER HB3 H 1 3.79 . . 2 . . . . . . . . 4252 1 731 . 1 1 86 86 GLY N N 15 108.9 . . 1 . . . . . . . . 4252 1 732 . 1 1 86 86 GLY H H 1 7.84 . . 1 . . . . . . . . 4252 1 733 . 1 1 86 86 GLY CA C 13 43.9 . . 1 . . . . . . . . 4252 1 734 . 1 1 86 86 GLY HA2 H 1 3.88 . . 2 . . . . . . . . 4252 1 735 . 1 1 86 86 GLY HA3 H 1 3.61 . . 2 . . . . . . . . 4252 1 736 . 1 1 87 87 ILE N N 15 113.7 . . 1 . . . . . . . . 4252 1 737 . 1 1 87 87 ILE H H 1 8.19 . . 1 . . . . . . . . 4252 1 738 . 1 1 87 87 ILE CA C 13 60.2 . . 1 . . . . . . . . 4252 1 739 . 1 1 87 87 ILE HA H 1 4.49 . . 1 . . . . . . . . 4252 1 740 . 1 1 87 87 ILE CB C 13 40.9 . . 1 . . . . . . . . 4252 1 741 . 1 1 87 87 ILE HB H 1 2.00 . . 1 . . . . . . . . 4252 1 742 . 1 1 87 87 ILE HG21 H 1 0.87 . . 1 . . . . . . . . 4252 1 743 . 1 1 87 87 ILE HG22 H 1 0.87 . . 1 . . . . . . . . 4252 1 744 . 1 1 87 87 ILE HG23 H 1 0.87 . . 1 . . . . . . . . 4252 1 745 . 1 1 87 87 ILE CG2 C 13 17.9 . . 1 . . . . . . . . 4252 1 746 . 1 1 87 87 ILE CG1 C 13 25.0 . . 1 . . . . . . . . 4252 1 747 . 1 1 87 87 ILE HG12 H 1 1.31 . . 2 . . . . . . . . 4252 1 748 . 1 1 87 87 ILE HG13 H 1 0.90 . . 2 . . . . . . . . 4252 1 749 . 1 1 87 87 ILE HD11 H 1 0.57 . . 1 . . . . . . . . 4252 1 750 . 1 1 87 87 ILE HD12 H 1 0.57 . . 1 . . . . . . . . 4252 1 751 . 1 1 87 87 ILE HD13 H 1 0.57 . . 1 . . . . . . . . 4252 1 752 . 1 1 87 87 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 4252 1 753 . 1 1 88 88 ASN N N 15 120.8 . . 1 . . . . . . . . 4252 1 754 . 1 1 88 88 ASN H H 1 8.70 . . 1 . . . . . . . . 4252 1 755 . 1 1 88 88 ASN CA C 13 54.2 . . 1 . . . . . . . . 4252 1 756 . 1 1 88 88 ASN HA H 1 4.66 . . 1 . . . . . . . . 4252 1 757 . 1 1 88 88 ASN CB C 13 38.0 . . 1 . . . . . . . . 4252 1 758 . 1 1 88 88 ASN HB2 H 1 2.75 . . 2 . . . . . . . . 4252 1 759 . 1 1 88 88 ASN HB3 H 1 2.64 . . 2 . . . . . . . . 4252 1 760 . 1 1 89 89 GLY N N 15 109.2 . . 1 . . . . . . . . 4252 1 761 . 1 1 89 89 GLY H H 1 9.32 . . 1 . . . . . . . . 4252 1 762 . 1 1 89 89 GLY CA C 13 45.8 . . 1 . . . . . . . . 4252 1 763 . 1 1 89 89 GLY HA2 H 1 4.25 . . 2 . . . . . . . . 4252 1 764 . 1 1 89 89 GLY HA3 H 1 3.48 . . 2 . . . . . . . . 4252 1 765 . 1 1 90 90 SER N N 15 121.9 . . 1 . . . . . . . . 4252 1 766 . 1 1 90 90 SER H H 1 8.72 . . 1 . . . . . . . . 4252 1 767 . 1 1 90 90 SER CA C 13 60.3 . . 1 . . . . . . . . 4252 1 768 . 1 1 90 90 SER HA H 1 6.15 . . 1 . . . . . . . . 4252 1 769 . 1 1 90 90 SER CB C 13 63.8 . . 1 . . . . . . . . 4252 1 770 . 1 1 90 90 SER HB2 H 1 4.04 . . 1 . . . . . . . . 4252 1 771 . 1 1 90 90 SER HB3 H 1 4.04 . . 1 . . . . . . . . 4252 1 772 . 1 1 91 91 PHE N N 15 120.7 . . 1 . . . . . . . . 4252 1 773 . 1 1 91 91 PHE H H 1 8.78 . . 1 . . . . . . . . 4252 1 774 . 1 1 91 91 PHE CA C 13 55.7 . . 1 . . . . . . . . 4252 1 775 . 1 1 91 91 PHE HA H 1 5.98 . . 1 . . . . . . . . 4252 1 776 . 1 1 91 91 PHE CB C 13 44.8 . . 1 . . . . . . . . 4252 1 777 . 1 1 91 91 PHE HB2 H 1 3.05 . . 2 . . . . . . . . 4252 1 778 . 1 1 91 91 PHE HB3 H 1 2.99 . . 2 . . . . . . . . 4252 1 779 . 1 1 92 92 LEU N N 15 113.9 . . 1 . . . . . . . . 4252 1 780 . 1 1 92 92 LEU H H 1 9.02 . . 1 . . . . . . . . 4252 1 781 . 1 1 92 92 LEU CA C 13 54.6 . . 1 . . . . . . . . 4252 1 782 . 1 1 92 92 LEU HA H 1 4.59 . . 1 . . . . . . . . 4252 1 783 . 1 1 92 92 LEU CB C 13 43.9 . . 1 . . . . . . . . 4252 1 784 . 1 1 92 92 LEU HB2 H 1 2.84 . . 2 . . . . . . . . 4252 1 785 . 1 1 92 92 LEU HB3 H 1 2.68 . . 2 . . . . . . . . 4252 1 786 . 1 1 92 92 LEU HG H 1 1.36 . . 1 . . . . . . . . 4252 1 787 . 1 1 92 92 LEU HD11 H 1 1.02 . . 2 . . . . . . . . 4252 1 788 . 1 1 92 92 LEU HD12 H 1 1.02 . . 2 . . . . . . . . 4252 1 789 . 1 1 92 92 LEU HD13 H 1 1.02 . . 2 . . . . . . . . 4252 1 790 . 1 1 93 93 VAL N N 15 120.6 . . 1 . . . . . . . . 4252 1 791 . 1 1 93 93 VAL H H 1 9.23 . . 1 . . . . . . . . 4252 1 792 . 1 1 93 93 VAL CA C 13 61.3 . . 1 . . . . . . . . 4252 1 793 . 1 1 93 93 VAL HA H 1 5.19 . . 1 . . . . . . . . 4252 1 794 . 1 1 93 93 VAL CB C 13 33.5 . . 1 . . . . . . . . 4252 1 795 . 1 1 93 93 VAL HB H 1 2.62 . . 1 . . . . . . . . 4252 1 796 . 1 1 93 93 VAL HG11 H 1 1.32 . . 2 . . . . . . . . 4252 1 797 . 1 1 93 93 VAL HG12 H 1 1.32 . . 2 . . . . . . . . 4252 1 798 . 1 1 93 93 VAL HG13 H 1 1.32 . . 2 . . . . . . . . 4252 1 799 . 1 1 93 93 VAL HG21 H 1 1.16 . . 2 . . . . . . . . 4252 1 800 . 1 1 93 93 VAL HG22 H 1 1.16 . . 2 . . . . . . . . 4252 1 801 . 1 1 93 93 VAL HG23 H 1 1.16 . . 2 . . . . . . . . 4252 1 802 . 1 1 93 93 VAL CG1 C 13 21.9 . . 1 . . . . . . . . 4252 1 803 . 1 1 93 93 VAL CG2 C 13 21.9 . . 1 . . . . . . . . 4252 1 804 . 1 1 94 94 ARG N N 15 122.9 . . 1 . . . . . . . . 4252 1 805 . 1 1 94 94 ARG H H 1 9.28 . . 1 . . . . . . . . 4252 1 806 . 1 1 94 94 ARG CA C 13 52.2 . . 1 . . . . . . . . 4252 1 807 . 1 1 94 94 ARG HA H 1 5.31 . . 1 . . . . . . . . 4252 1 808 . 1 1 94 94 ARG CB C 13 33.1 . . 1 . . . . . . . . 4252 1 809 . 1 1 94 94 ARG HB2 H 1 2.25 . . 2 . . . . . . . . 4252 1 810 . 1 1 94 94 ARG HB3 H 1 1.51 . . 2 . . . . . . . . 4252 1 811 . 1 1 94 94 ARG CG C 13 24.0 . . 1 . . . . . . . . 4252 1 812 . 1 1 94 94 ARG HG2 H 1 1.35 . . 2 . . . . . . . . 4252 1 813 . 1 1 94 94 ARG HG3 H 1 1.30 . . 2 . . . . . . . . 4252 1 814 . 1 1 94 94 ARG CD C 13 44.3 . . 1 . . . . . . . . 4252 1 815 . 1 1 94 94 ARG HD2 H 1 2.74 . . 1 . . . . . . . . 4252 1 816 . 1 1 94 94 ARG HD3 H 1 2.74 . . 1 . . . . . . . . 4252 1 817 . 1 1 95 95 GLU N N 15 120.6 . . 1 . . . . . . . . 4252 1 818 . 1 1 95 95 GLU H H 1 8.02 . . 1 . . . . . . . . 4252 1 819 . 1 1 95 95 GLU CA C 13 56.2 . . 1 . . . . . . . . 4252 1 820 . 1 1 95 95 GLU HA H 1 4.42 . . 1 . . . . . . . . 4252 1 821 . 1 1 95 95 GLU HB2 H 1 2.37 . . 2 . . . . . . . . 4252 1 822 . 1 1 95 95 GLU HB3 H 1 2.33 . . 2 . . . . . . . . 4252 1 823 . 1 1 96 96 SER N N 15 122.7 . . 1 . . . . . . . . 4252 1 824 . 1 1 96 96 SER H H 1 8.20 . . 1 . . . . . . . . 4252 1 825 . 1 1 96 96 SER CA C 13 56.5 . . 1 . . . . . . . . 4252 1 826 . 1 1 96 96 SER HA H 1 4.87 . . 1 . . . . . . . . 4252 1 827 . 1 1 96 96 SER CB C 13 63.6 . . 1 . . . . . . . . 4252 1 828 . 1 1 96 96 SER HB2 H 1 3.94 . . 2 . . . . . . . . 4252 1 829 . 1 1 96 96 SER HB3 H 1 3.85 . . 2 . . . . . . . . 4252 1 830 . 1 1 98 98 SER N N 15 114.0 . . 1 . . . . . . . . 4252 1 831 . 1 1 98 98 SER H H 1 8.91 . . 1 . . . . . . . . 4252 1 832 . 1 1 98 98 SER CA C 13 59.9 . . 1 . . . . . . . . 4252 1 833 . 1 1 98 98 SER HA H 1 4.30 . . 1 . . . . . . . . 4252 1 834 . 1 1 98 98 SER CB C 13 63.6 . . 1 . . . . . . . . 4252 1 835 . 1 1 98 98 SER HB2 H 1 3.87 . . 1 . . . . . . . . 4252 1 836 . 1 1 98 98 SER HB3 H 1 3.87 . . 1 . . . . . . . . 4252 1 837 . 1 1 99 99 SER N N 15 118.2 . . 1 . . . . . . . . 4252 1 838 . 1 1 99 99 SER H H 1 7.53 . . 1 . . . . . . . . 4252 1 839 . 1 1 99 99 SER CA C 13 54.4 . . 1 . . . . . . . . 4252 1 840 . 1 1 99 99 SER HA H 1 4.88 . . 1 . . . . . . . . 4252 1 841 . 1 1 99 99 SER CB C 13 63.1 . . 1 . . . . . . . . 4252 1 842 . 1 1 99 99 SER HB2 H 1 3.77 . . 2 . . . . . . . . 4252 1 843 . 1 1 99 99 SER HB3 H 1 3.51 . . 2 . . . . . . . . 4252 1 844 . 1 1 101 101 GLY N N 15 109.0 . . 1 . . . . . . . . 4252 1 845 . 1 1 101 101 GLY H H 1 8.45 . . 1 . . . . . . . . 4252 1 846 . 1 1 101 101 GLY CA C 13 45.2 . . 1 . . . . . . . . 4252 1 847 . 1 1 101 101 GLY HA2 H 1 3.98 . . 1 . . . . . . . . 4252 1 848 . 1 1 101 101 GLY HA3 H 1 3.98 . . 1 . . . . . . . . 4252 1 849 . 1 1 102 102 GLN N N 15 118.7 . . 1 . . . . . . . . 4252 1 850 . 1 1 102 102 GLN H H 1 8.21 . . 1 . . . . . . . . 4252 1 851 . 1 1 102 102 GLN CA C 13 53.8 . . 1 . . . . . . . . 4252 1 852 . 1 1 102 102 GLN HA H 1 4.79 . . 1 . . . . . . . . 4252 1 853 . 1 1 102 102 GLN CB C 13 30.0 . . 1 . . . . . . . . 4252 1 854 . 1 1 102 102 GLN HB2 H 1 2.34 . . 2 . . . . . . . . 4252 1 855 . 1 1 102 102 GLN HB3 H 1 2.08 . . 2 . . . . . . . . 4252 1 856 . 1 1 102 102 GLN CG C 13 34.1 . . 1 . . . . . . . . 4252 1 857 . 1 1 102 102 GLN HG2 H 1 2.35 . . 2 . . . . . . . . 4252 1 858 . 1 1 102 102 GLN HG3 H 1 2.21 . . 2 . . . . . . . . 4252 1 859 . 1 1 103 103 ARG N N 15 121.3 . . 1 . . . . . . . . 4252 1 860 . 1 1 103 103 ARG H H 1 9.12 . . 1 . . . . . . . . 4252 1 861 . 1 1 103 103 ARG CA C 13 55.7 . . 1 . . . . . . . . 4252 1 862 . 1 1 103 103 ARG HA H 1 5.21 . . 1 . . . . . . . . 4252 1 863 . 1 1 103 103 ARG CB C 13 34.5 . . 1 . . . . . . . . 4252 1 864 . 1 1 103 103 ARG HB2 H 1 2.48 . . 2 . . . . . . . . 4252 1 865 . 1 1 103 103 ARG HB3 H 1 1.94 . . 2 . . . . . . . . 4252 1 866 . 1 1 103 103 ARG HG2 H 1 1.77 . . 1 . . . . . . . . 4252 1 867 . 1 1 103 103 ARG HG3 H 1 1.77 . . 1 . . . . . . . . 4252 1 868 . 1 1 103 103 ARG HD2 H 1 3.52 . . 2 . . . . . . . . 4252 1 869 . 1 1 103 103 ARG HD3 H 1 3.44 . . 2 . . . . . . . . 4252 1 870 . 1 1 104 104 SER N N 15 116.1 . . 1 . . . . . . . . 4252 1 871 . 1 1 104 104 SER H H 1 9.28 . . 1 . . . . . . . . 4252 1 872 . 1 1 104 104 SER CA C 13 56.7 . . 1 . . . . . . . . 4252 1 873 . 1 1 104 104 SER HA H 1 5.58 . . 1 . . . . . . . . 4252 1 874 . 1 1 104 104 SER CB C 13 66.6 . . 1 . . . . . . . . 4252 1 875 . 1 1 104 104 SER HB2 H 1 4.11 . . 2 . . . . . . . . 4252 1 876 . 1 1 104 104 SER HB3 H 1 3.45 . . 2 . . . . . . . . 4252 1 877 . 1 1 105 105 ILE N N 15 122.3 . . 1 . . . . . . . . 4252 1 878 . 1 1 105 105 ILE H H 1 9.64 . . 1 . . . . . . . . 4252 1 879 . 1 1 105 105 ILE CA C 13 60.4 . . 1 . . . . . . . . 4252 1 880 . 1 1 105 105 ILE HA H 1 5.06 . . 1 . . . . . . . . 4252 1 881 . 1 1 105 105 ILE CB C 13 42.2 . . 1 . . . . . . . . 4252 1 882 . 1 1 105 105 ILE HB H 1 1.70 . . 1 . . . . . . . . 4252 1 883 . 1 1 105 105 ILE HG21 H 1 0.95 . . 1 . . . . . . . . 4252 1 884 . 1 1 105 105 ILE HG22 H 1 0.95 . . 1 . . . . . . . . 4252 1 885 . 1 1 105 105 ILE HG23 H 1 0.95 . . 1 . . . . . . . . 4252 1 886 . 1 1 105 105 ILE CG2 C 13 17.9 . . 1 . . . . . . . . 4252 1 887 . 1 1 105 105 ILE CG1 C 13 28.5 . . 1 . . . . . . . . 4252 1 888 . 1 1 105 105 ILE HG12 H 1 1.74 . . 2 . . . . . . . . 4252 1 889 . 1 1 105 105 ILE HG13 H 1 0.97 . . 2 . . . . . . . . 4252 1 890 . 1 1 105 105 ILE HD11 H 1 0.51 . . 1 . . . . . . . . 4252 1 891 . 1 1 105 105 ILE HD12 H 1 0.51 . . 1 . . . . . . . . 4252 1 892 . 1 1 105 105 ILE HD13 H 1 0.51 . . 1 . . . . . . . . 4252 1 893 . 1 1 105 105 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 4252 1 894 . 1 1 106 106 SER N N 15 123.3 . . 1 . . . . . . . . 4252 1 895 . 1 1 106 106 SER H H 1 8.97 . . 1 . . . . . . . . 4252 1 896 . 1 1 106 106 SER CA C 13 58.3 . . 1 . . . . . . . . 4252 1 897 . 1 1 106 106 SER HA H 1 5.63 . . 1 . . . . . . . . 4252 1 898 . 1 1 106 106 SER CB C 13 65.5 . . 1 . . . . . . . . 4252 1 899 . 1 1 106 106 SER HB2 H 1 3.51 . . 2 . . . . . . . . 4252 1 900 . 1 1 106 106 SER HB3 H 1 3.31 . . 2 . . . . . . . . 4252 1 901 . 1 1 107 107 LEU N N 15 127.2 . . 1 . . . . . . . . 4252 1 902 . 1 1 107 107 LEU H H 1 9.35 . . 1 . . . . . . . . 4252 1 903 . 1 1 107 107 LEU CA C 13 53.8 . . 1 . . . . . . . . 4252 1 904 . 1 1 107 107 LEU HA H 1 5.41 . . 1 . . . . . . . . 4252 1 905 . 1 1 107 107 LEU CB C 13 48.2 . . 1 . . . . . . . . 4252 1 906 . 1 1 107 107 LEU HB2 H 1 1.95 . . 2 . . . . . . . . 4252 1 907 . 1 1 107 107 LEU HB3 H 1 1.38 . . 2 . . . . . . . . 4252 1 908 . 1 1 107 107 LEU CG C 13 27.5 . . 1 . . . . . . . . 4252 1 909 . 1 1 107 107 LEU HG H 1 1.57 . . 1 . . . . . . . . 4252 1 910 . 1 1 107 107 LEU HD11 H 1 0.91 . . 2 . . . . . . . . 4252 1 911 . 1 1 107 107 LEU HD12 H 1 0.91 . . 2 . . . . . . . . 4252 1 912 . 1 1 107 107 LEU HD13 H 1 0.91 . . 2 . . . . . . . . 4252 1 913 . 1 1 107 107 LEU HD21 H 1 0.77 . . 2 . . . . . . . . 4252 1 914 . 1 1 107 107 LEU HD22 H 1 0.77 . . 2 . . . . . . . . 4252 1 915 . 1 1 107 107 LEU HD23 H 1 0.77 . . 2 . . . . . . . . 4252 1 916 . 1 1 107 107 LEU CD1 C 13 24.5 . . 1 . . . . . . . . 4252 1 917 . 1 1 107 107 LEU CD2 C 13 28.0 . . 1 . . . . . . . . 4252 1 918 . 1 1 108 108 ARG N N 15 127.6 . . 1 . . . . . . . . 4252 1 919 . 1 1 108 108 ARG H H 1 9.31 . . 1 . . . . . . . . 4252 1 920 . 1 1 108 108 ARG CA C 13 54.7 . . 1 . . . . . . . . 4252 1 921 . 1 1 108 108 ARG HA H 1 5.31 . . 1 . . . . . . . . 4252 1 922 . 1 1 108 108 ARG CB C 13 32.8 . . 1 . . . . . . . . 4252 1 923 . 1 1 108 108 ARG HB2 H 1 2.25 . . 1 . . . . . . . . 4252 1 924 . 1 1 108 108 ARG HB3 H 1 2.25 . . 1 . . . . . . . . 4252 1 925 . 1 1 108 108 ARG HG2 H 1 1.51 . . 1 . . . . . . . . 4252 1 926 . 1 1 108 108 ARG HG3 H 1 1.51 . . 1 . . . . . . . . 4252 1 927 . 1 1 108 108 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 4252 1 928 . 1 1 108 108 ARG HD3 H 1 3.17 . . 1 . . . . . . . . 4252 1 929 . 1 1 109 109 TYR N N 15 125.8 . . 1 . . . . . . . . 4252 1 930 . 1 1 109 109 TYR H H 1 9.42 . . 1 . . . . . . . . 4252 1 931 . 1 1 109 109 TYR CA C 13 59.4 . . 1 . . . . . . . . 4252 1 932 . 1 1 109 109 TYR HA H 1 4.68 . . 1 . . . . . . . . 4252 1 933 . 1 1 109 109 TYR HB2 H 1 2.91 . . 2 . . . . . . . . 4252 1 934 . 1 1 109 109 TYR HB3 H 1 2.81 . . 2 . . . . . . . . 4252 1 935 . 1 1 110 110 GLU N N 15 128.1 . . 1 . . . . . . . . 4252 1 936 . 1 1 110 110 GLU H H 1 9.29 . . 1 . . . . . . . . 4252 1 937 . 1 1 110 110 GLU CA C 13 56.1 . . 1 . . . . . . . . 4252 1 938 . 1 1 110 110 GLU HA H 1 3.64 . . 1 . . . . . . . . 4252 1 939 . 1 1 110 110 GLU CB C 13 27.5 . . 1 . . . . . . . . 4252 1 940 . 1 1 110 110 GLU HB2 H 1 2.03 . . 2 . . . . . . . . 4252 1 941 . 1 1 110 110 GLU HB3 H 1 1.51 . . 2 . . . . . . . . 4252 1 942 . 1 1 110 110 GLU CG C 13 35.6 . . 1 . . . . . . . . 4252 1 943 . 1 1 110 110 GLU HG2 H 1 1.72 . . 2 . . . . . . . . 4252 1 944 . 1 1 110 110 GLU HG3 H 1 1.02 . . 2 . . . . . . . . 4252 1 945 . 1 1 111 111 GLY N N 15 102.8 . . 1 . . . . . . . . 4252 1 946 . 1 1 111 111 GLY H H 1 8.37 . . 1 . . . . . . . . 4252 1 947 . 1 1 111 111 GLY CA C 13 45.4 . . 1 . . . . . . . . 4252 1 948 . 1 1 112 112 ARG N N 15 119.8 . . 1 . . . . . . . . 4252 1 949 . 1 1 112 112 ARG H H 1 7.82 . . 1 . . . . . . . . 4252 1 950 . 1 1 112 112 ARG CA C 13 54.1 . . 1 . . . . . . . . 4252 1 951 . 1 1 112 112 ARG HA H 1 4.65 . . 1 . . . . . . . . 4252 1 952 . 1 1 112 112 ARG CB C 13 33.5 . . 1 . . . . . . . . 4252 1 953 . 1 1 112 112 ARG HB2 H 1 1.73 . . 2 . . . . . . . . 4252 1 954 . 1 1 112 112 ARG HB3 H 1 1.66 . . 2 . . . . . . . . 4252 1 955 . 1 1 112 112 ARG CG C 13 27.0 . . 1 . . . . . . . . 4252 1 956 . 1 1 112 112 ARG HG2 H 1 1.53 . . 2 . . . . . . . . 4252 1 957 . 1 1 112 112 ARG HG3 H 1 1.32 . . 2 . . . . . . . . 4252 1 958 . 1 1 112 112 ARG CD C 13 43.3 . . 1 . . . . . . . . 4252 1 959 . 1 1 112 112 ARG HD2 H 1 3.11 . . 2 . . . . . . . . 4252 1 960 . 1 1 112 112 ARG HD3 H 1 3.06 . . 2 . . . . . . . . 4252 1 961 . 1 1 113 113 VAL N N 15 120.8 . . 1 . . . . . . . . 4252 1 962 . 1 1 113 113 VAL H H 1 8.28 . . 1 . . . . . . . . 4252 1 963 . 1 1 113 113 VAL CA C 13 61.3 . . 1 . . . . . . . . 4252 1 964 . 1 1 113 113 VAL HA H 1 4.68 . . 1 . . . . . . . . 4252 1 965 . 1 1 113 113 VAL CB C 13 32.1 . . 1 . . . . . . . . 4252 1 966 . 1 1 113 113 VAL HB H 1 1.72 . . 1 . . . . . . . . 4252 1 967 . 1 1 113 113 VAL HG11 H 1 0.82 . . 2 . . . . . . . . 4252 1 968 . 1 1 113 113 VAL HG12 H 1 0.82 . . 2 . . . . . . . . 4252 1 969 . 1 1 113 113 VAL HG13 H 1 0.82 . . 2 . . . . . . . . 4252 1 970 . 1 1 113 113 VAL HG21 H 1 0.40 . . 2 . . . . . . . . 4252 1 971 . 1 1 113 113 VAL HG22 H 1 0.40 . . 2 . . . . . . . . 4252 1 972 . 1 1 113 113 VAL HG23 H 1 0.40 . . 2 . . . . . . . . 4252 1 973 . 1 1 113 113 VAL CG1 C 13 22.9 . . 1 . . . . . . . . 4252 1 974 . 1 1 113 113 VAL CG2 C 13 22.4 . . 1 . . . . . . . . 4252 1 975 . 1 1 114 114 TYR N N 15 128.8 . . 1 . . . . . . . . 4252 1 976 . 1 1 114 114 TYR H H 1 9.47 . . 1 . . . . . . . . 4252 1 977 . 1 1 114 114 TYR CA C 13 57.0 . . 1 . . . . . . . . 4252 1 978 . 1 1 114 114 TYR HA H 1 4.35 . . 1 . . . . . . . . 4252 1 979 . 1 1 114 114 TYR CB C 13 41.7 . . 1 . . . . . . . . 4252 1 980 . 1 1 114 114 TYR HB2 H 1 2.86 . . 1 . . . . . . . . 4252 1 981 . 1 1 114 114 TYR HB3 H 1 2.86 . . 1 . . . . . . . . 4252 1 982 . 1 1 115 115 HIS N N 15 120.5 . . 1 . . . . . . . . 4252 1 983 . 1 1 115 115 HIS H H 1 8.96 . . 1 . . . . . . . . 4252 1 984 . 1 1 115 115 HIS CA C 13 54.4 . . 1 . . . . . . . . 4252 1 985 . 1 1 115 115 HIS HA H 1 5.94 . . 1 . . . . . . . . 4252 1 986 . 1 1 115 115 HIS CB C 13 34.1 . . 1 . . . . . . . . 4252 1 987 . 1 1 115 115 HIS HB2 H 1 2.78 . . 2 . . . . . . . . 4252 1 988 . 1 1 115 115 HIS HB3 H 1 2.64 . . 2 . . . . . . . . 4252 1 989 . 1 1 116 116 TYR N N 15 120.0 . . 1 . . . . . . . . 4252 1 990 . 1 1 116 116 TYR H H 1 9.96 . . 1 . . . . . . . . 4252 1 991 . 1 1 116 116 TYR CA C 13 56.9 . . 1 . . . . . . . . 4252 1 992 . 1 1 116 116 TYR HA H 1 5.01 . . 1 . . . . . . . . 4252 1 993 . 1 1 116 116 TYR HB2 H 1 2.79 . . 2 . . . . . . . . 4252 1 994 . 1 1 116 116 TYR HB3 H 1 2.61 . . 2 . . . . . . . . 4252 1 995 . 1 1 117 117 ARG N N 15 123.6 . . 1 . . . . . . . . 4252 1 996 . 1 1 117 117 ARG H H 1 8.40 . . 1 . . . . . . . . 4252 1 997 . 1 1 117 117 ARG CA C 13 55.9 . . 1 . . . . . . . . 4252 1 998 . 1 1 117 117 ARG CB C 13 30.4 . . 1 . . . . . . . . 4252 1 999 . 1 1 118 118 ILE N N 15 122.7 . . 1 . . . . . . . . 4252 1 1000 . 1 1 118 118 ILE H H 1 8.05 . . 1 . . . . . . . . 4252 1 1001 . 1 1 118 118 ILE CA C 13 61.7 . . 1 . . . . . . . . 4252 1 1002 . 1 1 118 118 ILE HA H 1 3.93 . . 1 . . . . . . . . 4252 1 1003 . 1 1 118 118 ILE CB C 13 36.7 . . 1 . . . . . . . . 4252 1 1004 . 1 1 118 118 ILE HB H 1 1.76 . . 1 . . . . . . . . 4252 1 1005 . 1 1 118 118 ILE HG21 H 1 0.79 . . 1 . . . . . . . . 4252 1 1006 . 1 1 118 118 ILE HG22 H 1 0.79 . . 1 . . . . . . . . 4252 1 1007 . 1 1 118 118 ILE HG23 H 1 0.79 . . 1 . . . . . . . . 4252 1 1008 . 1 1 118 118 ILE CG2 C 13 18.9 . . 1 . . . . . . . . 4252 1 1009 . 1 1 118 118 ILE CG1 C 13 27.5 . . 1 . . . . . . . . 4252 1 1010 . 1 1 118 118 ILE HG12 H 1 1.50 . . 2 . . . . . . . . 4252 1 1011 . 1 1 118 118 ILE HG13 H 1 0.64 . . 2 . . . . . . . . 4252 1 1012 . 1 1 118 118 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4252 1 1013 . 1 1 118 118 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4252 1 1014 . 1 1 118 118 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4252 1 1015 . 1 1 118 118 ILE CD1 C 13 14.3 . . 1 . . . . . . . . 4252 1 1016 . 1 1 119 119 ASN N N 15 128.2 . . 1 . . . . . . . . 4252 1 1017 . 1 1 119 119 ASN H H 1 8.62 . . 1 . . . . . . . . 4252 1 1018 . 1 1 119 119 ASN CA C 13 52.8 . . 1 . . . . . . . . 4252 1 1019 . 1 1 119 119 ASN HA H 1 4.57 . . 1 . . . . . . . . 4252 1 1020 . 1 1 119 119 ASN CB C 13 40.5 . . 1 . . . . . . . . 4252 1 1021 . 1 1 119 119 ASN HB2 H 1 1.99 . . 2 . . . . . . . . 4252 1 1022 . 1 1 119 119 ASN HB3 H 1 0.97 . . 2 . . . . . . . . 4252 1 1023 . 1 1 120 120 THR N N 15 113.5 . . 1 . . . . . . . . 4252 1 1024 . 1 1 120 120 THR H H 1 8.26 . . 1 . . . . . . . . 4252 1 1025 . 1 1 120 120 THR CA C 13 61.0 . . 1 . . . . . . . . 4252 1 1026 . 1 1 120 120 THR HA H 1 5.06 . . 1 . . . . . . . . 4252 1 1027 . 1 1 120 120 THR CB C 13 70.0 . . 1 . . . . . . . . 4252 1 1028 . 1 1 120 120 THR HB H 1 3.98 . . 1 . . . . . . . . 4252 1 1029 . 1 1 120 120 THR HG21 H 1 1.32 . . 1 . . . . . . . . 4252 1 1030 . 1 1 120 120 THR HG22 H 1 1.32 . . 1 . . . . . . . . 4252 1 1031 . 1 1 120 120 THR HG23 H 1 1.32 . . 1 . . . . . . . . 4252 1 1032 . 1 1 120 120 THR CG2 C 13 21.4 . . 1 . . . . . . . . 4252 1 1033 . 1 1 121 121 ALA N N 15 129.4 . . 1 . . . . . . . . 4252 1 1034 . 1 1 121 121 ALA H H 1 9.67 . . 1 . . . . . . . . 4252 1 1035 . 1 1 121 121 ALA CA C 13 51.0 . . 1 . . . . . . . . 4252 1 1036 . 1 1 121 121 ALA HA H 1 4.81 . . 1 . . . . . . . . 4252 1 1037 . 1 1 121 121 ALA HB1 H 1 1.73 . . 1 . . . . . . . . 4252 1 1038 . 1 1 121 121 ALA HB2 H 1 1.73 . . 1 . . . . . . . . 4252 1 1039 . 1 1 121 121 ALA HB3 H 1 1.73 . . 1 . . . . . . . . 4252 1 1040 . 1 1 121 121 ALA CB C 13 21.4 . . 1 . . . . . . . . 4252 1 1041 . 1 1 123 123 ASP N N 15 117.8 . . 1 . . . . . . . . 4252 1 1042 . 1 1 123 123 ASP H H 1 7.84 . . 1 . . . . . . . . 4252 1 1043 . 1 1 123 123 ASP CA C 13 52.6 . . 1 . . . . . . . . 4252 1 1044 . 1 1 123 123 ASP HA H 1 4.61 . . 1 . . . . . . . . 4252 1 1045 . 1 1 123 123 ASP CB C 13 40.1 . . 1 . . . . . . . . 4252 1 1046 . 1 1 123 123 ASP HB2 H 1 3.09 . . 2 . . . . . . . . 4252 1 1047 . 1 1 123 123 ASP HB3 H 1 2.55 . . 2 . . . . . . . . 4252 1 1048 . 1 1 124 124 GLY N N 15 107.5 . . 1 . . . . . . . . 4252 1 1049 . 1 1 124 124 GLY H H 1 8.18 . . 1 . . . . . . . . 4252 1 1050 . 1 1 124 124 GLY CA C 13 44.8 . . 1 . . . . . . . . 4252 1 1051 . 1 1 124 124 GLY HA2 H 1 4.36 . . 2 . . . . . . . . 4252 1 1052 . 1 1 124 124 GLY HA3 H 1 3.60 . . 2 . . . . . . . . 4252 1 1053 . 1 1 125 125 LYS N N 15 119.1 . . 1 . . . . . . . . 4252 1 1054 . 1 1 125 125 LYS H H 1 7.54 . . 1 . . . . . . . . 4252 1 1055 . 1 1 125 125 LYS CA C 13 57.8 . . 1 . . . . . . . . 4252 1 1056 . 1 1 125 125 LYS HA H 1 4.41 . . 1 . . . . . . . . 4252 1 1057 . 1 1 125 125 LYS CB C 13 33.5 . . 1 . . . . . . . . 4252 1 1058 . 1 1 125 125 LYS HB2 H 1 1.63 . . 1 . . . . . . . . 4252 1 1059 . 1 1 125 125 LYS HB3 H 1 1.63 . . 1 . . . . . . . . 4252 1 1060 . 1 1 125 125 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 4252 1 1061 . 1 1 125 125 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 4252 1 1062 . 1 1 126 126 LEU N N 15 119.7 . . 1 . . . . . . . . 4252 1 1063 . 1 1 126 126 LEU H H 1 9.18 . . 1 . . . . . . . . 4252 1 1064 . 1 1 126 126 LEU CA C 13 53.5 . . 1 . . . . . . . . 4252 1 1065 . 1 1 126 126 LEU HA H 1 5.57 . . 1 . . . . . . . . 4252 1 1066 . 1 1 126 126 LEU CB C 13 45.8 . . 1 . . . . . . . . 4252 1 1067 . 1 1 126 126 LEU HB2 H 1 1.61 . . 2 . . . . . . . . 4252 1 1068 . 1 1 126 126 LEU HB3 H 1 1.32 . . 2 . . . . . . . . 4252 1 1069 . 1 1 126 126 LEU CG C 13 27.0 . . 1 . . . . . . . . 4252 1 1070 . 1 1 126 126 LEU HG H 1 1.83 . . 1 . . . . . . . . 4252 1 1071 . 1 1 126 126 LEU HD11 H 1 0.86 . . 2 . . . . . . . . 4252 1 1072 . 1 1 126 126 LEU HD12 H 1 0.86 . . 2 . . . . . . . . 4252 1 1073 . 1 1 126 126 LEU HD13 H 1 0.86 . . 2 . . . . . . . . 4252 1 1074 . 1 1 126 126 LEU HD21 H 1 0.90 . . 2 . . . . . . . . 4252 1 1075 . 1 1 126 126 LEU HD22 H 1 0.90 . . 2 . . . . . . . . 4252 1 1076 . 1 1 126 126 LEU HD23 H 1 0.90 . . 2 . . . . . . . . 4252 1 1077 . 1 1 126 126 LEU CD1 C 13 26.0 . . 1 . . . . . . . . 4252 1 1078 . 1 1 126 126 LEU CD2 C 13 24.0 . . 1 . . . . . . . . 4252 1 1079 . 1 1 127 127 TYR N N 15 114.5 . . 1 . . . . . . . . 4252 1 1080 . 1 1 127 127 TYR H H 1 8.75 . . 1 . . . . . . . . 4252 1 1081 . 1 1 127 127 TYR CA C 13 57.9 . . 1 . . . . . . . . 4252 1 1082 . 1 1 128 128 VAL N N 15 121.3 . . 1 . . . . . . . . 4252 1 1083 . 1 1 128 128 VAL H H 1 10.22 . . 1 . . . . . . . . 4252 1 1084 . 1 1 128 128 VAL CA C 13 64.2 . . 1 . . . . . . . . 4252 1 1085 . 1 1 128 128 VAL HA H 1 4.27 . . 1 . . . . . . . . 4252 1 1086 . 1 1 128 128 VAL CB C 13 32.9 . . 1 . . . . . . . . 4252 1 1087 . 1 1 128 128 VAL HB H 1 1.92 . . 1 . . . . . . . . 4252 1 1088 . 1 1 128 128 VAL HG11 H 1 0.63 . . 2 . . . . . . . . 4252 1 1089 . 1 1 128 128 VAL HG12 H 1 0.63 . . 2 . . . . . . . . 4252 1 1090 . 1 1 128 128 VAL HG13 H 1 0.63 . . 2 . . . . . . . . 4252 1 1091 . 1 1 128 128 VAL HG21 H 1 0.78 . . 2 . . . . . . . . 4252 1 1092 . 1 1 128 128 VAL HG22 H 1 0.78 . . 2 . . . . . . . . 4252 1 1093 . 1 1 128 128 VAL HG23 H 1 0.78 . . 2 . . . . . . . . 4252 1 1094 . 1 1 128 128 VAL CG1 C 13 21.9 . . 1 . . . . . . . . 4252 1 1095 . 1 1 128 128 VAL CG2 C 13 21.4 . . 1 . . . . . . . . 4252 1 1096 . 1 1 129 129 SER N N 15 117.8 . . 1 . . . . . . . . 4252 1 1097 . 1 1 129 129 SER H H 1 9.27 . . 1 . . . . . . . . 4252 1 1098 . 1 1 129 129 SER CA C 13 56.7 . . 1 . . . . . . . . 4252 1 1099 . 1 1 129 129 SER HA H 1 4.97 . . 1 . . . . . . . . 4252 1 1100 . 1 1 129 129 SER CB C 13 64.9 . . 1 . . . . . . . . 4252 1 1101 . 1 1 129 129 SER HB2 H 1 4.10 . . 1 . . . . . . . . 4252 1 1102 . 1 1 129 129 SER HB3 H 1 4.10 . . 1 . . . . . . . . 4252 1 1103 . 1 1 130 130 SER N N 15 120.0 . . 1 . . . . . . . . 4252 1 1104 . 1 1 130 130 SER H H 1 8.86 . . 1 . . . . . . . . 4252 1 1105 . 1 1 130 130 SER CA C 13 60.8 . . 1 . . . . . . . . 4252 1 1106 . 1 1 130 130 SER HA H 1 4.71 . . 1 . . . . . . . . 4252 1 1107 . 1 1 130 130 SER CB C 13 63.4 . . 1 . . . . . . . . 4252 1 1108 . 1 1 130 130 SER HB2 H 1 4.70 . . 1 . . . . . . . . 4252 1 1109 . 1 1 130 130 SER HB3 H 1 4.70 . . 1 . . . . . . . . 4252 1 1110 . 1 1 131 131 GLU N N 15 116.5 . . 1 . . . . . . . . 4252 1 1111 . 1 1 131 131 GLU H H 1 8.41 . . 1 . . . . . . . . 4252 1 1112 . 1 1 131 131 GLU CA C 13 57.1 . . 1 . . . . . . . . 4252 1 1113 . 1 1 131 131 GLU HA H 1 4.15 . . 1 . . . . . . . . 4252 1 1114 . 1 1 131 131 GLU CB C 13 29.6 . . 1 . . . . . . . . 4252 1 1115 . 1 1 131 131 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 4252 1 1116 . 1 1 131 131 GLU HB3 H 1 1.90 . . 2 . . . . . . . . 4252 1 1117 . 1 1 131 131 GLU CG C 13 36.2 . . 1 . . . . . . . . 4252 1 1118 . 1 1 131 131 GLU HG2 H 1 2.24 . . 1 . . . . . . . . 4252 1 1119 . 1 1 131 131 GLU HG3 H 1 2.24 . . 1 . . . . . . . . 4252 1 1120 . 1 1 132 132 SER N N 15 118.4 . . 1 . . . . . . . . 4252 1 1121 . 1 1 132 132 SER H H 1 7.81 . . 1 . . . . . . . . 4252 1 1122 . 1 1 132 132 SER CA C 13 56.6 . . 1 . . . . . . . . 4252 1 1123 . 1 1 132 132 SER HA H 1 4.37 . . 1 . . . . . . . . 4252 1 1124 . 1 1 132 132 SER CB C 13 63.7 . . 1 . . . . . . . . 4252 1 1125 . 1 1 132 132 SER HB2 H 1 3.82 . . 2 . . . . . . . . 4252 1 1126 . 1 1 132 132 SER HB3 H 1 3.45 . . 2 . . . . . . . . 4252 1 1127 . 1 1 133 133 ARG N N 15 120.2 . . 1 . . . . . . . . 4252 1 1128 . 1 1 133 133 ARG H H 1 7.66 . . 1 . . . . . . . . 4252 1 1129 . 1 1 133 133 ARG CA C 13 53.2 . . 1 . . . . . . . . 4252 1 1130 . 1 1 133 133 ARG HA H 1 5.11 . . 1 . . . . . . . . 4252 1 1131 . 1 1 133 133 ARG CB C 13 32.7 . . 1 . . . . . . . . 4252 1 1132 . 1 1 133 133 ARG HB2 H 1 1.49 . . 2 . . . . . . . . 4252 1 1133 . 1 1 133 133 ARG HB3 H 1 1.35 . . 2 . . . . . . . . 4252 1 1134 . 1 1 133 133 ARG CD C 13 43.3 . . 1 . . . . . . . . 4252 1 1135 . 1 1 133 133 ARG HD2 H 1 2.85 . . 2 . . . . . . . . 4252 1 1136 . 1 1 133 133 ARG HD3 H 1 2.69 . . 2 . . . . . . . . 4252 1 1137 . 1 1 134 134 PHE N N 15 118.0 . . 1 . . . . . . . . 4252 1 1138 . 1 1 134 134 PHE H H 1 9.20 . . 1 . . . . . . . . 4252 1 1139 . 1 1 134 134 PHE CA C 13 57.6 . . 1 . . . . . . . . 4252 1 1140 . 1 1 134 134 PHE HA H 1 4.87 . . 1 . . . . . . . . 4252 1 1141 . 1 1 134 134 PHE CB C 13 44.9 . . 1 . . . . . . . . 4252 1 1142 . 1 1 134 134 PHE HB2 H 1 3.46 . . 2 . . . . . . . . 4252 1 1143 . 1 1 134 134 PHE HB3 H 1 2.57 . . 2 . . . . . . . . 4252 1 1144 . 1 1 135 135 ASN N N 15 118.4 . . 1 . . . . . . . . 4252 1 1145 . 1 1 135 135 ASN H H 1 9.58 . . 1 . . . . . . . . 4252 1 1146 . 1 1 135 135 ASN CA C 13 55.7 . . 1 . . . . . . . . 4252 1 1147 . 1 1 135 135 ASN HA H 1 4.74 . . 1 . . . . . . . . 4252 1 1148 . 1 1 135 135 ASN CB C 13 39.3 . . 1 . . . . . . . . 4252 1 1149 . 1 1 135 135 ASN HB2 H 1 3.24 . . 2 . . . . . . . . 4252 1 1150 . 1 1 135 135 ASN HB3 H 1 2.93 . . 2 . . . . . . . . 4252 1 1151 . 1 1 136 136 THR N N 15 104.7 . . 1 . . . . . . . . 4252 1 1152 . 1 1 136 136 THR H H 1 7.42 . . 1 . . . . . . . . 4252 1 1153 . 1 1 136 136 THR CA C 13 58.9 . . 1 . . . . . . . . 4252 1 1154 . 1 1 136 136 THR HA H 1 4.95 . . 1 . . . . . . . . 4252 1 1155 . 1 1 136 136 THR CB C 13 73.1 . . 1 . . . . . . . . 4252 1 1156 . 1 1 136 136 THR HB H 1 4.75 . . 1 . . . . . . . . 4252 1 1157 . 1 1 136 136 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4252 1 1158 . 1 1 136 136 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4252 1 1159 . 1 1 136 136 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4252 1 1160 . 1 1 136 136 THR CG2 C 13 21.9 . . 1 . . . . . . . . 4252 1 1161 . 1 1 137 137 LEU N N 15 123.8 . . 1 . . . . . . . . 4252 1 1162 . 1 1 137 137 LEU H H 1 9.12 . . 1 . . . . . . . . 4252 1 1163 . 1 1 137 137 LEU CA C 13 57.3 . . 1 . . . . . . . . 4252 1 1164 . 1 1 137 137 LEU HA H 1 4.00 . . 1 . . . . . . . . 4252 1 1165 . 1 1 137 137 LEU CB C 13 41.9 . . 1 . . . . . . . . 4252 1 1166 . 1 1 137 137 LEU HB2 H 1 1.83 . . 2 . . . . . . . . 4252 1 1167 . 1 1 137 137 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 4252 1 1168 . 1 1 137 137 LEU CG C 13 27.0 . . 1 . . . . . . . . 4252 1 1169 . 1 1 137 137 LEU HG H 1 1.82 . . 1 . . . . . . . . 4252 1 1170 . 1 1 137 137 LEU HD11 H 1 1.11 . . 2 . . . . . . . . 4252 1 1171 . 1 1 137 137 LEU HD12 H 1 1.11 . . 2 . . . . . . . . 4252 1 1172 . 1 1 137 137 LEU HD13 H 1 1.11 . . 2 . . . . . . . . 4252 1 1173 . 1 1 137 137 LEU HD21 H 1 1.04 . . 2 . . . . . . . . 4252 1 1174 . 1 1 137 137 LEU HD22 H 1 1.04 . . 2 . . . . . . . . 4252 1 1175 . 1 1 137 137 LEU HD23 H 1 1.04 . . 2 . . . . . . . . 4252 1 1176 . 1 1 137 137 LEU CD1 C 13 26.5 . . 1 . . . . . . . . 4252 1 1177 . 1 1 137 137 LEU CD2 C 13 26.5 . . 1 . . . . . . . . 4252 1 1178 . 1 1 138 138 ALA N N 15 120.0 . . 1 . . . . . . . . 4252 1 1179 . 1 1 138 138 ALA H H 1 8.97 . . 1 . . . . . . . . 4252 1 1180 . 1 1 138 138 ALA CA C 13 55.5 . . 1 . . . . . . . . 4252 1 1181 . 1 1 138 138 ALA HA H 1 3.98 . . 1 . . . . . . . . 4252 1 1182 . 1 1 138 138 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 4252 1 1183 . 1 1 138 138 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 4252 1 1184 . 1 1 138 138 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 4252 1 1185 . 1 1 138 138 ALA CB C 13 17.6 . . 1 . . . . . . . . 4252 1 1186 . 1 1 139 139 GLU N N 15 117.4 . . 1 . . . . . . . . 4252 1 1187 . 1 1 139 139 GLU H H 1 7.63 . . 1 . . . . . . . . 4252 1 1188 . 1 1 139 139 GLU CA C 13 59.1 . . 1 . . . . . . . . 4252 1 1189 . 1 1 139 139 GLU HA H 1 3.92 . . 1 . . . . . . . . 4252 1 1190 . 1 1 139 139 GLU CB C 13 30.9 . . 1 . . . . . . . . 4252 1 1191 . 1 1 139 139 GLU HB2 H 1 2.34 . . 2 . . . . . . . . 4252 1 1192 . 1 1 139 139 GLU HB3 H 1 2.24 . . 2 . . . . . . . . 4252 1 1193 . 1 1 139 139 GLU CG C 13 37.7 . . 1 . . . . . . . . 4252 1 1194 . 1 1 139 139 GLU HG2 H 1 2.37 . . 1 . . . . . . . . 4252 1 1195 . 1 1 139 139 GLU HG3 H 1 2.37 . . 1 . . . . . . . . 4252 1 1196 . 1 1 140 140 LEU N N 15 123.4 . . 1 . . . . . . . . 4252 1 1197 . 1 1 140 140 LEU H H 1 7.28 . . 1 . . . . . . . . 4252 1 1198 . 1 1 140 140 LEU CA C 13 58.9 . . 1 . . . . . . . . 4252 1 1199 . 1 1 140 140 LEU HA H 1 2.86 . . 1 . . . . . . . . 4252 1 1200 . 1 1 140 140 LEU CB C 13 42.2 . . 1 . . . . . . . . 4252 1 1201 . 1 1 140 140 LEU HB2 H 1 2.03 . . 2 . . . . . . . . 4252 1 1202 . 1 1 140 140 LEU HB3 H 1 1.50 . . 2 . . . . . . . . 4252 1 1203 . 1 1 140 140 LEU CG C 13 28.0 . . 1 . . . . . . . . 4252 1 1204 . 1 1 140 140 LEU HG H 1 1.16 . . 1 . . . . . . . . 4252 1 1205 . 1 1 140 140 LEU HD11 H 1 0.67 . . 2 . . . . . . . . 4252 1 1206 . 1 1 140 140 LEU HD12 H 1 0.67 . . 2 . . . . . . . . 4252 1 1207 . 1 1 140 140 LEU HD13 H 1 0.67 . . 2 . . . . . . . . 4252 1 1208 . 1 1 140 140 LEU HD21 H 1 1.80 . . 2 . . . . . . . . 4252 1 1209 . 1 1 140 140 LEU HD22 H 1 1.80 . . 2 . . . . . . . . 4252 1 1210 . 1 1 140 140 LEU HD23 H 1 1.80 . . 2 . . . . . . . . 4252 1 1211 . 1 1 140 140 LEU CD1 C 13 25.0 . . 1 . . . . . . . . 4252 1 1212 . 1 1 140 140 LEU CD2 C 13 27.0 . . 1 . . . . . . . . 4252 1 1213 . 1 1 141 141 VAL N N 15 119.7 . . 1 . . . . . . . . 4252 1 1214 . 1 1 141 141 VAL H H 1 8.20 . . 1 . . . . . . . . 4252 1 1215 . 1 1 141 141 VAL CA C 13 66.5 . . 1 . . . . . . . . 4252 1 1216 . 1 1 141 141 VAL HA H 1 2.89 . . 1 . . . . . . . . 4252 1 1217 . 1 1 141 141 VAL CB C 13 30.9 . . 1 . . . . . . . . 4252 1 1218 . 1 1 141 141 VAL HB H 1 1.18 . . 1 . . . . . . . . 4252 1 1219 . 1 1 141 141 VAL HG11 H 1 -0.13 . . 2 . . . . . . . . 4252 1 1220 . 1 1 141 141 VAL HG12 H 1 -0.13 . . 2 . . . . . . . . 4252 1 1221 . 1 1 141 141 VAL HG13 H 1 -0.13 . . 2 . . . . . . . . 4252 1 1222 . 1 1 141 141 VAL HG21 H 1 -0.25 . . 2 . . . . . . . . 4252 1 1223 . 1 1 141 141 VAL HG22 H 1 -0.25 . . 2 . . . . . . . . 4252 1 1224 . 1 1 141 141 VAL HG23 H 1 -0.25 . . 2 . . . . . . . . 4252 1 1225 . 1 1 141 141 VAL CG1 C 13 19.9 . . 1 . . . . . . . . 4252 1 1226 . 1 1 141 141 VAL CG2 C 13 21.9 . . 1 . . . . . . . . 4252 1 1227 . 1 1 142 142 HIS N N 15 118.0 . . 1 . . . . . . . . 4252 1 1228 . 1 1 142 142 HIS H H 1 8.01 . . 1 . . . . . . . . 4252 1 1229 . 1 1 142 142 HIS CA C 13 59.6 . . 1 . . . . . . . . 4252 1 1230 . 1 1 142 142 HIS HA H 1 4.70 . . 1 . . . . . . . . 4252 1 1231 . 1 1 142 142 HIS CB C 13 38.5 . . 1 . . . . . . . . 4252 1 1232 . 1 1 142 142 HIS HB2 H 1 2.91 . . 2 . . . . . . . . 4252 1 1233 . 1 1 142 142 HIS HB3 H 1 2.81 . . 2 . . . . . . . . 4252 1 1234 . 1 1 143 143 HIS N N 15 120.0 . . 1 . . . . . . . . 4252 1 1235 . 1 1 143 143 HIS H H 1 8.01 . . 1 . . . . . . . . 4252 1 1236 . 1 1 143 143 HIS CA C 13 60.1 . . 1 . . . . . . . . 4252 1 1237 . 1 1 143 143 HIS HA H 1 4.14 . . 1 . . . . . . . . 4252 1 1238 . 1 1 143 143 HIS CB C 13 29.8 . . 1 . . . . . . . . 4252 1 1239 . 1 1 143 143 HIS HB2 H 1 3.21 . . 2 . . . . . . . . 4252 1 1240 . 1 1 143 143 HIS HB3 H 1 3.09 . . 2 . . . . . . . . 4252 1 1241 . 1 1 144 144 HIS N N 15 115.6 . . 1 . . . . . . . . 4252 1 1242 . 1 1 144 144 HIS H H 1 7.79 . . 1 . . . . . . . . 4252 1 1243 . 1 1 144 144 HIS CA C 13 57.4 . . 1 . . . . . . . . 4252 1 1244 . 1 1 144 144 HIS HA H 1 4.98 . . 1 . . . . . . . . 4252 1 1245 . 1 1 144 144 HIS CB C 13 27.7 . . 1 . . . . . . . . 4252 1 1246 . 1 1 144 144 HIS HB2 H 1 2.57 . . 2 . . . . . . . . 4252 1 1247 . 1 1 144 144 HIS HB3 H 1 3.09 . . 2 . . . . . . . . 4252 1 1248 . 1 1 145 145 SER N N 15 115.1 . . 1 . . . . . . . . 4252 1 1249 . 1 1 145 145 SER H H 1 7.65 . . 1 . . . . . . . . 4252 1 1250 . 1 1 145 145 SER CA C 13 59.8 . . 1 . . . . . . . . 4252 1 1251 . 1 1 145 145 SER HA H 1 4.61 . . 1 . . . . . . . . 4252 1 1252 . 1 1 145 145 SER CB C 13 63.5 . . 1 . . . . . . . . 4252 1 1253 . 1 1 145 145 SER HB2 H 1 3.91 . . 2 . . . . . . . . 4252 1 1254 . 1 1 145 145 SER HB3 H 1 3.81 . . 2 . . . . . . . . 4252 1 1255 . 1 1 146 146 THR N N 15 113.9 . . 1 . . . . . . . . 4252 1 1256 . 1 1 146 146 THR H H 1 7.34 . . 1 . . . . . . . . 4252 1 1257 . 1 1 146 146 THR CA C 13 63.1 . . 1 . . . . . . . . 4252 1 1258 . 1 1 146 146 THR HA H 1 4.25 . . 1 . . . . . . . . 4252 1 1259 . 1 1 146 146 THR CB C 13 70.1 . . 1 . . . . . . . . 4252 1 1260 . 1 1 146 146 THR HB H 1 4.11 . . 1 . . . . . . . . 4252 1 1261 . 1 1 146 146 THR HG21 H 1 1.06 . . 1 . . . . . . . . 4252 1 1262 . 1 1 146 146 THR HG22 H 1 1.06 . . 1 . . . . . . . . 4252 1 1263 . 1 1 146 146 THR HG23 H 1 1.06 . . 1 . . . . . . . . 4252 1 1264 . 1 1 146 146 THR CG2 C 13 21.4 . . 1 . . . . . . . . 4252 1 1265 . 1 1 147 147 VAL N N 15 120.6 . . 1 . . . . . . . . 4252 1 1266 . 1 1 147 147 VAL H H 1 7.58 . . 1 . . . . . . . . 4252 1 1267 . 1 1 147 147 VAL CA C 13 59.8 . . 1 . . . . . . . . 4252 1 1268 . 1 1 147 147 VAL HA H 1 4.05 . . 1 . . . . . . . . 4252 1 1269 . 1 1 147 147 VAL CB C 13 33.8 . . 1 . . . . . . . . 4252 1 1270 . 1 1 147 147 VAL HB H 1 1.53 . . 1 . . . . . . . . 4252 1 1271 . 1 1 147 147 VAL HG11 H 1 0.64 . . 2 . . . . . . . . 4252 1 1272 . 1 1 147 147 VAL HG12 H 1 0.64 . . 2 . . . . . . . . 4252 1 1273 . 1 1 147 147 VAL HG13 H 1 0.64 . . 2 . . . . . . . . 4252 1 1274 . 1 1 147 147 VAL HG21 H 1 0.55 . . 2 . . . . . . . . 4252 1 1275 . 1 1 147 147 VAL HG22 H 1 0.55 . . 2 . . . . . . . . 4252 1 1276 . 1 1 147 147 VAL HG23 H 1 0.55 . . 2 . . . . . . . . 4252 1 1277 . 1 1 147 147 VAL CG1 C 13 21.4 . . 1 . . . . . . . . 4252 1 1278 . 1 1 147 147 VAL CG2 C 13 19.9 . . 1 . . . . . . . . 4252 1 1279 . 1 1 148 148 ALA N N 15 127.6 . . 1 . . . . . . . . 4252 1 1280 . 1 1 148 148 ALA H H 1 8.32 . . 1 . . . . . . . . 4252 1 1281 . 1 1 148 148 ALA CA C 13 56.2 . . 1 . . . . . . . . 4252 1 1282 . 1 1 148 148 ALA HA H 1 3.55 . . 1 . . . . . . . . 4252 1 1283 . 1 1 148 148 ALA HB1 H 1 1.09 . . 1 . . . . . . . . 4252 1 1284 . 1 1 148 148 ALA HB2 H 1 1.09 . . 1 . . . . . . . . 4252 1 1285 . 1 1 148 148 ALA HB3 H 1 1.09 . . 1 . . . . . . . . 4252 1 1286 . 1 1 148 148 ALA CB C 13 16.7 . . 1 . . . . . . . . 4252 1 1287 . 1 1 149 149 ASP N N 15 116.2 . . 1 . . . . . . . . 4252 1 1288 . 1 1 149 149 ASP H H 1 8.46 . . 1 . . . . . . . . 4252 1 1289 . 1 1 149 149 ASP CA C 13 54.1 . . 1 . . . . . . . . 4252 1 1290 . 1 1 149 149 ASP HA H 1 4.61 . . 1 . . . . . . . . 4252 1 1291 . 1 1 149 149 ASP CB C 13 41.0 . . 1 . . . . . . . . 4252 1 1292 . 1 1 149 149 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 4252 1 1293 . 1 1 149 149 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 4252 1 1294 . 1 1 150 150 GLY N N 15 105.2 . . 1 . . . . . . . . 4252 1 1295 . 1 1 150 150 GLY H H 1 8.24 . . 1 . . . . . . . . 4252 1 1296 . 1 1 150 150 GLY CA C 13 44.5 . . 1 . . . . . . . . 4252 1 1297 . 1 1 150 150 GLY HA2 H 1 4.49 . . 2 . . . . . . . . 4252 1 1298 . 1 1 150 150 GLY HA3 H 1 3.51 . . 2 . . . . . . . . 4252 1 1299 . 1 1 151 151 LEU N N 15 118.9 . . 1 . . . . . . . . 4252 1 1300 . 1 1 151 151 LEU H H 1 7.23 . . 1 . . . . . . . . 4252 1 1301 . 1 1 151 151 LEU CA C 13 54.0 . . 1 . . . . . . . . 4252 1 1302 . 1 1 151 151 LEU HA H 1 3.96 . . 1 . . . . . . . . 4252 1 1303 . 1 1 151 151 LEU CB C 13 43.2 . . 1 . . . . . . . . 4252 1 1304 . 1 1 151 151 LEU HB2 H 1 1.70 . . 2 . . . . . . . . 4252 1 1305 . 1 1 151 151 LEU HB3 H 1 0.92 . . 2 . . . . . . . . 4252 1 1306 . 1 1 151 151 LEU CG C 13 26.0 . . 1 . . . . . . . . 4252 1 1307 . 1 1 151 151 LEU HG H 1 1.08 . . 1 . . . . . . . . 4252 1 1308 . 1 1 151 151 LEU HD11 H 1 0.35 . . 2 . . . . . . . . 4252 1 1309 . 1 1 151 151 LEU HD12 H 1 0.35 . . 2 . . . . . . . . 4252 1 1310 . 1 1 151 151 LEU HD13 H 1 0.35 . . 2 . . . . . . . . 4252 1 1311 . 1 1 151 151 LEU HD21 H 1 -0.47 . . 2 . . . . . . . . 4252 1 1312 . 1 1 151 151 LEU HD22 H 1 -0.47 . . 2 . . . . . . . . 4252 1 1313 . 1 1 151 151 LEU HD23 H 1 -0.47 . . 2 . . . . . . . . 4252 1 1314 . 1 1 151 151 LEU CD1 C 13 26.5 . . 1 . . . . . . . . 4252 1 1315 . 1 1 151 151 LEU CD2 C 13 20.9 . . 1 . . . . . . . . 4252 1 1316 . 1 1 152 152 ILE N N 15 118.6 . . 1 . . . . . . . . 4252 1 1317 . 1 1 152 152 ILE H H 1 7.18 . . 1 . . . . . . . . 4252 1 1318 . 1 1 152 152 ILE CA C 13 61.8 . . 1 . . . . . . . . 4252 1 1319 . 1 1 152 152 ILE HA H 1 3.68 . . 1 . . . . . . . . 4252 1 1320 . 1 1 152 152 ILE CB C 13 38.5 . . 1 . . . . . . . . 4252 1 1321 . 1 1 152 152 ILE HB H 1 1.24 . . 1 . . . . . . . . 4252 1 1322 . 1 1 152 152 ILE HG21 H 1 0.04 . . 1 . . . . . . . . 4252 1 1323 . 1 1 152 152 ILE HG22 H 1 0.04 . . 1 . . . . . . . . 4252 1 1324 . 1 1 152 152 ILE HG23 H 1 0.04 . . 1 . . . . . . . . 4252 1 1325 . 1 1 152 152 ILE CG2 C 13 16.9 . . 1 . . . . . . . . 4252 1 1326 . 1 1 152 152 ILE CG1 C 13 29.0 . . 1 . . . . . . . . 4252 1 1327 . 1 1 152 152 ILE HG12 H 1 0.85 . . 2 . . . . . . . . 4252 1 1328 . 1 1 152 152 ILE HG13 H 1 0.43 . . 2 . . . . . . . . 4252 1 1329 . 1 1 152 152 ILE HD11 H 1 0.52 . . 1 . . . . . . . . 4252 1 1330 . 1 1 152 152 ILE HD12 H 1 0.52 . . 1 . . . . . . . . 4252 1 1331 . 1 1 152 152 ILE HD13 H 1 0.52 . . 1 . . . . . . . . 4252 1 1332 . 1 1 152 152 ILE CD1 C 13 14.3 . . 1 . . . . . . . . 4252 1 1333 . 1 1 153 153 THR N N 15 110.8 . . 1 . . . . . . . . 4252 1 1334 . 1 1 153 153 THR H H 1 6.82 . . 1 . . . . . . . . 4252 1 1335 . 1 1 153 153 THR CA C 13 59.2 . . 1 . . . . . . . . 4252 1 1336 . 1 1 153 153 THR HA H 1 3.99 . . 1 . . . . . . . . 4252 1 1337 . 1 1 153 153 THR CB C 13 68.6 . . 1 . . . . . . . . 4252 1 1338 . 1 1 153 153 THR HB H 1 3.47 . . 1 . . . . . . . . 4252 1 1339 . 1 1 153 153 THR HG21 H 1 1.09 . . 1 . . . . . . . . 4252 1 1340 . 1 1 153 153 THR HG22 H 1 1.09 . . 1 . . . . . . . . 4252 1 1341 . 1 1 153 153 THR HG23 H 1 1.09 . . 1 . . . . . . . . 4252 1 1342 . 1 1 153 153 THR CG2 C 13 18.4 . . 1 . . . . . . . . 4252 1 1343 . 1 1 154 154 THR N N 15 106.9 . . 1 . . . . . . . . 4252 1 1344 . 1 1 154 154 THR H H 1 7.26 . . 1 . . . . . . . . 4252 1 1345 . 1 1 154 154 THR CA C 13 60.6 . . 1 . . . . . . . . 4252 1 1346 . 1 1 154 154 THR HA H 1 3.95 . . 1 . . . . . . . . 4252 1 1347 . 1 1 154 154 THR CB C 13 69.8 . . 1 . . . . . . . . 4252 1 1348 . 1 1 154 154 THR HB H 1 3.77 . . 1 . . . . . . . . 4252 1 1349 . 1 1 154 154 THR HG21 H 1 0.71 . . 1 . . . . . . . . 4252 1 1350 . 1 1 154 154 THR HG22 H 1 0.71 . . 1 . . . . . . . . 4252 1 1351 . 1 1 154 154 THR HG23 H 1 0.71 . . 1 . . . . . . . . 4252 1 1352 . 1 1 154 154 THR CG2 C 13 22.4 . . 1 . . . . . . . . 4252 1 1353 . 1 1 155 155 LEU N N 15 117.5 . . 1 . . . . . . . . 4252 1 1354 . 1 1 155 155 LEU H H 1 7.53 . . 1 . . . . . . . . 4252 1 1355 . 1 1 155 155 LEU CA C 13 53.2 . . 1 . . . . . . . . 4252 1 1356 . 1 1 155 155 LEU HA H 1 3.49 . . 1 . . . . . . . . 4252 1 1357 . 1 1 155 155 LEU CB C 13 36.6 . . 1 . . . . . . . . 4252 1 1358 . 1 1 155 155 LEU HB2 H 1 0.85 . . 1 . . . . . . . . 4252 1 1359 . 1 1 155 155 LEU HB3 H 1 0.85 . . 1 . . . . . . . . 4252 1 1360 . 1 1 155 155 LEU HD11 H 1 0.13 . . 2 . . . . . . . . 4252 1 1361 . 1 1 155 155 LEU HD12 H 1 0.13 . . 2 . . . . . . . . 4252 1 1362 . 1 1 155 155 LEU HD13 H 1 0.13 . . 2 . . . . . . . . 4252 1 1363 . 1 1 155 155 LEU HD21 H 1 0.14 . . 2 . . . . . . . . 4252 1 1364 . 1 1 155 155 LEU HD22 H 1 0.14 . . 2 . . . . . . . . 4252 1 1365 . 1 1 155 155 LEU HD23 H 1 0.14 . . 2 . . . . . . . . 4252 1 1366 . 1 1 155 155 LEU CD1 C 13 25.5 . . 1 . . . . . . . . 4252 1 1367 . 1 1 155 155 LEU CD2 C 13 22.4 . . 1 . . . . . . . . 4252 1 1368 . 1 1 156 156 HIS N N 15 123.5 . . 1 . . . . . . . . 4252 1 1369 . 1 1 156 156 HIS H H 1 8.27 . . 1 . . . . . . . . 4252 1 1370 . 1 1 156 156 HIS CA C 13 56.4 . . 1 . . . . . . . . 4252 1 1371 . 1 1 156 156 HIS HA H 1 4.76 . . 1 . . . . . . . . 4252 1 1372 . 1 1 156 156 HIS CB C 13 33.0 . . 1 . . . . . . . . 4252 1 1373 . 1 1 156 156 HIS HB2 H 1 2.87 . . 2 . . . . . . . . 4252 1 1374 . 1 1 156 156 HIS HB3 H 1 2.74 . . 2 . . . . . . . . 4252 1 1375 . 1 1 157 157 TYR N N 15 118.8 . . 1 . . . . . . . . 4252 1 1376 . 1 1 157 157 TYR H H 1 8.15 . . 1 . . . . . . . . 4252 1 1377 . 1 1 157 157 TYR CA C 13 54.2 . . 1 . . . . . . . . 4252 1 1378 . 1 1 157 157 TYR HA H 1 5.27 . . 1 . . . . . . . . 4252 1 1379 . 1 1 157 157 TYR CB C 13 40.7 . . 1 . . . . . . . . 4252 1 1380 . 1 1 157 157 TYR HB2 H 1 3.11 . . 2 . . . . . . . . 4252 1 1381 . 1 1 157 157 TYR HB3 H 1 2.80 . . 2 . . . . . . . . 4252 1 1382 . 1 1 159 159 ALA N N 15 129.5 . . 1 . . . . . . . . 4252 1 1383 . 1 1 159 159 ALA H H 1 8.70 . . 1 . . . . . . . . 4252 1 1384 . 1 1 159 159 ALA CA C 13 50.4 . . 1 . . . . . . . . 4252 1 1385 . 1 1 159 159 ALA HA H 1 4.54 . . 1 . . . . . . . . 4252 1 1386 . 1 1 159 159 ALA HB1 H 1 1.13 . . 1 . . . . . . . . 4252 1 1387 . 1 1 159 159 ALA HB2 H 1 1.13 . . 1 . . . . . . . . 4252 1 1388 . 1 1 159 159 ALA HB3 H 1 1.13 . . 1 . . . . . . . . 4252 1 1389 . 1 1 159 159 ALA CB C 13 17.9 . . 1 . . . . . . . . 4252 1 1390 . 1 1 161 161 LYS N N 15 122.0 . . 1 . . . . . . . . 4252 1 1391 . 1 1 161 161 LYS H H 1 8.20 . . 1 . . . . . . . . 4252 1 1392 . 1 1 161 161 LYS CA C 13 56.4 . . 1 . . . . . . . . 4252 1 1393 . 1 1 161 161 LYS HA H 1 4.09 . . 1 . . . . . . . . 4252 1 1394 . 1 1 161 161 LYS CB C 13 32.9 . . 1 . . . . . . . . 4252 1 1395 . 1 1 161 161 LYS HB2 H 1 1.59 . . 2 . . . . . . . . 4252 1 1396 . 1 1 161 161 LYS HB3 H 1 1.47 . . 2 . . . . . . . . 4252 1 1397 . 1 1 161 161 LYS CG C 13 25.5 . . 1 . . . . . . . . 4252 1 1398 . 1 1 161 161 LYS HG2 H 1 1.14 . . 2 . . . . . . . . 4252 1 1399 . 1 1 161 161 LYS HG3 H 1 0.48 . . 2 . . . . . . . . 4252 1 1400 . 1 1 161 161 LYS CD C 13 29.3 . . 1 . . . . . . . . 4252 1 1401 . 1 1 161 161 LYS HD2 H 1 1.45 . . 1 . . . . . . . . 4252 1 1402 . 1 1 161 161 LYS HD3 H 1 1.45 . . 1 . . . . . . . . 4252 1 1403 . 1 1 161 161 LYS CE C 13 42.8 . . 1 . . . . . . . . 4252 1 1404 . 1 1 161 161 LYS HE2 H 1 2.79 . . 2 . . . . . . . . 4252 1 1405 . 1 1 161 161 LYS HE3 H 1 2.64 . . 2 . . . . . . . . 4252 1 1406 . 1 1 162 162 ARG N N 15 121.1 . . 1 . . . . . . . . 4252 1 1407 . 1 1 162 162 ARG H H 1 8.31 . . 1 . . . . . . . . 4252 1 1408 . 1 1 162 162 ARG CA C 13 55.8 . . 1 . . . . . . . . 4252 1 1409 . 1 1 162 162 ARG HA H 1 4.38 . . 1 . . . . . . . . 4252 1 1410 . 1 1 162 162 ARG CB C 13 31.3 . . 1 . . . . . . . . 4252 1 1411 . 1 1 162 162 ARG HB2 H 1 1.92 . . 2 . . . . . . . . 4252 1 1412 . 1 1 162 162 ARG HB3 H 1 1.79 . . 2 . . . . . . . . 4252 1 1413 . 1 1 162 162 ARG CG C 13 27.0 . . 1 . . . . . . . . 4252 1 1414 . 1 1 162 162 ARG HG2 H 1 1.67 . . 2 . . . . . . . . 4252 1 1415 . 1 1 162 162 ARG HG3 H 1 1.59 . . 2 . . . . . . . . 4252 1 1416 . 1 1 162 162 ARG CD C 13 43.3 . . 1 . . . . . . . . 4252 1 1417 . 1 1 162 162 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 4252 1 1418 . 1 1 162 162 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 4252 1 1419 . 1 1 163 163 GLY N N 15 109.5 . . 1 . . . . . . . . 4252 1 1420 . 1 1 163 163 GLY H H 1 8.42 . . 1 . . . . . . . . 4252 1 1421 . 1 1 163 163 GLY CA C 13 44.9 . . 1 . . . . . . . . 4252 1 1422 . 1 1 163 163 GLY HA2 H 1 3.94 . . 2 . . . . . . . . 4252 1 1423 . 1 1 163 163 GLY HA3 H 1 3.84 . . 2 . . . . . . . . 4252 1 1424 . 1 1 164 164 ILE N N 15 119.5 . . 1 . . . . . . . . 4252 1 1425 . 1 1 164 164 ILE H H 1 7.94 . . 1 . . . . . . . . 4252 1 1426 . 1 1 164 164 ILE CA C 13 61.0 . . 1 . . . . . . . . 4252 1 1427 . 1 1 164 164 ILE HA H 1 4.16 . . 1 . . . . . . . . 4252 1 1428 . 1 1 164 164 ILE CB C 13 38.6 . . 1 . . . . . . . . 4252 1 1429 . 1 1 164 164 ILE HB H 1 1.83 . . 1 . . . . . . . . 4252 1 1430 . 1 1 164 164 ILE HG21 H 1 0.83 . . 1 . . . . . . . . 4252 1 1431 . 1 1 164 164 ILE HG22 H 1 0.83 . . 1 . . . . . . . . 4252 1 1432 . 1 1 164 164 ILE HG23 H 1 0.83 . . 1 . . . . . . . . 4252 1 1433 . 1 1 164 164 ILE CG2 C 13 17.4 . . 1 . . . . . . . . 4252 1 1434 . 1 1 164 164 ILE CG1 C 13 27.0 . . 1 . . . . . . . . 4252 1 1435 . 1 1 164 164 ILE HG12 H 1 1.36 . . 2 . . . . . . . . 4252 1 1436 . 1 1 164 164 ILE HG13 H 1 1.13 . . 2 . . . . . . . . 4252 1 1437 . 1 1 164 164 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4252 1 1438 . 1 1 164 164 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4252 1 1439 . 1 1 164 164 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4252 1 1440 . 1 1 164 164 ILE CD1 C 13 12.8 . . 1 . . . . . . . . 4252 1 stop_ save_