data_4388 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone NMR Assignments of a High Molecular Weight Protein (47kD), Cyclic AMP Receptor Protein (apo-CRP) ; _BMRB_accession_number 4388 _BMRB_flat_file_name bmr4388.str _Entry_type original _Submission_date 1999-09-04 _Accession_date 1999-09-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Won Hyung-Sik . . 2 Yamazaki T. . . 3 Lee Tae-Woo . . 4 Jee Jun-Goo . . 5 Yoon Mi-Kyung . . 6 Park Sang-Ho . . 7 Otomo T. . . 8 Aiba H. . . 9 Kyogoku Y. . . 10 Lee Bong-Jin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 191 "13C chemical shifts" 579 "15N chemical shifts" 191 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-20 original author . stop_ _Original_release_date 2000-03-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Backbone NMR assignments of a high molecular weight protein (47 kDa), cyclic AMP receptor protein (apo-CRP) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Won Hyung-Sik . . 2 Yamazaki T. . . 3 Lee Tae-Woo . . 4 Jee Jun-Goo . . 5 Yoon Mi-Kyung . . 6 Park Sang-Ho . . 7 Otomo T. . . 8 Aiba H. . . 9 Kyogoku Y. . . 10 Lee Bong-Jin . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 16 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 79 _Page_last 80 _Year 2000 _Details . loop_ _Keyword apo-CRP 'backbone NMR assignments' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref-1 _Saveframe_category citation _Citation_full 'Johnson, B. A. & Blevins, R. A. (1994) NMR View: A computer program for the visualization and analysis of NMR data. J. Biomol. NMR 4, 603-614.' _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ save_ref-2 _Saveframe_category citation _Citation_full 'Delaglio, F. Grzesiek, S., Vuister, G. W., Zhu, G., Pfeifer, J. & Bax, A. (1995) NMR Pipe: A multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR 6, 277-293' _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8520220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F . . 2 Grzesiek S . . 3 Vuister 'G W' W. . 4 Zhu G . . 5 Pfeifer J . . 6 Bax A . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 293 _Year 1995 _Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; save_ ################################## # Molecular system description # ################################## save_system_CRP _Saveframe_category molecular_system _Mol_system_name 'Cyclic AMP Receptor Protein dimer' _Abbreviation_common CRP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CRP subunit 1' $CRP 'CRP subunit 2' $CRP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'CRP subunit 1' 1 'CRP subunit 2' stop_ loop_ _Biological_function 'transcription regulator' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CRP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Cyclic AMP Receptor Protein' _Name_variant 'Catabolite gene Activatior Protein (CAP)' _Abbreviation_common CRP _Molecular_mass 47000 _Mol_thiol_state . _Details 'a very high molecular mass protein to be studied by NMR' ############################## # Polymer residue sequence # ############################## _Residue_count 209 _Mol_residue_sequence ; VLGKPQTDPTLEWFLSHCHI HKYPSKSTLIHQGEKAETLY YIVKGSVAVLIKDEEGKEMI LSYLNQGDFIGELGLFEEGQ ERSAWVRAKTACEVAEISYK KFRQLIQVNPDILMRLSAQM ARRLQVTSEKVGNLAFLDVT GRIAQTLLNLAKQPDAMTHP DGMQIKITRQEIGQIVGCSR ETVGRILKMLEDQNLISAHG KTIVVYGTR ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 LEU 3 GLY 4 LYS 5 PRO 6 GLN 7 THR 8 ASP 9 PRO 10 THR 11 LEU 12 GLU 13 TRP 14 PHE 15 LEU 16 SER 17 HIS 18 CYS 19 HIS 20 ILE 21 HIS 22 LYS 23 TYR 24 PRO 25 SER 26 LYS 27 SER 28 THR 29 LEU 30 ILE 31 HIS 32 GLN 33 GLY 34 GLU 35 LYS 36 ALA 37 GLU 38 THR 39 LEU 40 TYR 41 TYR 42 ILE 43 VAL 44 LYS 45 GLY 46 SER 47 VAL 48 ALA 49 VAL 50 LEU 51 ILE 52 LYS 53 ASP 54 GLU 55 GLU 56 GLY 57 LYS 58 GLU 59 MET 60 ILE 61 LEU 62 SER 63 TYR 64 LEU 65 ASN 66 GLN 67 GLY 68 ASP 69 PHE 70 ILE 71 GLY 72 GLU 73 LEU 74 GLY 75 LEU 76 PHE 77 GLU 78 GLU 79 GLY 80 GLN 81 GLU 82 ARG 83 SER 84 ALA 85 TRP 86 VAL 87 ARG 88 ALA 89 LYS 90 THR 91 ALA 92 CYS 93 GLU 94 VAL 95 ALA 96 GLU 97 ILE 98 SER 99 TYR 100 LYS 101 LYS 102 PHE 103 ARG 104 GLN 105 LEU 106 ILE 107 GLN 108 VAL 109 ASN 110 PRO 111 ASP 112 ILE 113 LEU 114 MET 115 ARG 116 LEU 117 SER 118 ALA 119 GLN 120 MET 121 ALA 122 ARG 123 ARG 124 LEU 125 GLN 126 VAL 127 THR 128 SER 129 GLU 130 LYS 131 VAL 132 GLY 133 ASN 134 LEU 135 ALA 136 PHE 137 LEU 138 ASP 139 VAL 140 THR 141 GLY 142 ARG 143 ILE 144 ALA 145 GLN 146 THR 147 LEU 148 LEU 149 ASN 150 LEU 151 ALA 152 LYS 153 GLN 154 PRO 155 ASP 156 ALA 157 MET 158 THR 159 HIS 160 PRO 161 ASP 162 GLY 163 MET 164 GLN 165 ILE 166 LYS 167 ILE 168 THR 169 ARG 170 GLN 171 GLU 172 ILE 173 GLY 174 GLN 175 ILE 176 VAL 177 GLY 178 CYS 179 SER 180 ARG 181 GLU 182 THR 183 VAL 184 GLY 185 ARG 186 ILE 187 LEU 188 LYS 189 MET 190 LEU 191 GLU 192 ASP 193 GLN 194 ASN 195 LEU 196 ILE 197 SER 198 ALA 199 HIS 200 GLY 201 LYS 202 THR 203 ILE 204 VAL 205 VAL 206 TYR 207 GLY 208 THR 209 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19144 CAMP_RECEPTOR_PROTEIN 100.00 209 99.04 99.04 7.42e-150 BMRB 19145 CAMP_RECEPTOR_PROTEIN 100.00 209 99.04 99.04 7.42e-150 PDB 1CGP "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate" 98.09 205 100.00 100.00 1.57e-148 PDB 1G6N "2.1 Angstrom Structure Of Cap-Camp" 100.00 210 100.00 100.00 4.91e-152 PDB 1HW5 "The CapCRP VARIANT T127LS128A" 100.00 210 99.04 99.52 1.05e-150 PDB 1I5Z "Structure Of Crp-Camp At 1.9 A" 100.00 209 100.00 100.00 6.03e-152 PDB 1I6X "Structure Of A Star Mutant Crp-Camp At 2.2 A" 100.00 209 99.52 99.52 8.42e-151 PDB 1J59 "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate" 100.00 209 100.00 100.00 6.03e-152 PDB 1LB2 "Structure Of The E. Coli Alpha C-Terminal Domain Of Rna Polymerase In Complex With Cap And Dna" 100.00 209 100.00 100.00 6.03e-152 PDB 1O3Q "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes" 95.69 200 100.00 100.00 4.21e-145 PDB 1O3R "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes" 95.69 200 100.00 100.00 4.21e-145 PDB 1O3S "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes" 95.69 200 99.50 100.00 1.26e-144 PDB 1O3T "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes" 95.69 200 100.00 100.00 4.21e-145 PDB 1RUN "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate" 100.00 209 100.00 100.00 6.03e-152 PDB 1RUO "Catabolite Gene Activator Protein (Cap) MutantDNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate" 100.00 209 99.52 99.52 1.09e-150 PDB 1ZRC "4 Crystal Structures Of Cap-Dna With All Base-Pair Substitutions At Position 6, Cap-Icap38 Dna" 100.00 209 100.00 100.00 6.03e-152 PDB 1ZRD "4 Crystal Structures Of Cap-dna With All Base-pair Substitutions At Position 6, Cap-[6a;17t]icap38 Dna" 100.00 209 100.00 100.00 6.03e-152 PDB 1ZRE "4 Crystal Structures Of Cap-Dna With All Base-Pair Substitutions At Position 6, Cap-[6g;17c]icap38 Dna" 100.00 209 100.00 100.00 6.03e-152 PDB 1ZRF "4 Crystal Structures Of Cap-Dna With All Base-Pair Substitutions At Position 6, Cap-[6c;17g]icap38 Dna" 100.00 209 100.00 100.00 6.03e-152 PDB 2CGP "Catabolite Gene Activator ProteinDNA COMPLEX, ADENOSINE-3', 5'-Cyclic-Monophosphate" 100.00 210 100.00 100.00 4.91e-152 PDB 2GZW "Crystal Structure Of The E.coli Crp-camp Complex" 100.00 209 100.00 100.00 6.03e-152 PDB 2WC2 "Nmr Structure Of Catabolite Activator Protein In The Unliganded State" 100.00 209 100.00 100.00 6.03e-152 PDB 3FWE "Crystal Structure Of The Apo D138l Cap Mutant" 100.00 210 99.52 99.52 1.22e-150 PDB 3HIF "The Crystal Structure Of Apo Wild Type Cap At 3.6 A Resolution." 100.00 210 100.00 100.00 4.91e-152 PDB 3IYD "Three-Dimensional Em Structure Of An Intact Activator-Dependent Transcription Initiation Complex" 100.00 209 100.00 100.00 6.03e-152 PDB 3KCC "Crystal Structure Of D138l Mutant Of Catabolite Gene Activator Protein" 100.00 260 99.52 99.52 1.02e-149 PDB 3N4M "E. Coli Rna Polymerase Alpha Subunit C-Terminal Domain In Complex With Cap And Dna" 100.00 209 100.00 100.00 6.03e-152 PDB 3QOP "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" 100.00 210 99.52 99.52 6.08e-151 PDB 3RDI "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" 100.00 210 99.52 99.52 6.08e-151 PDB 3ROU "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" 100.00 210 99.52 99.52 6.08e-151 PDB 3RPQ "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" 100.00 210 99.52 99.52 6.08e-151 PDB 3RYP "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" 100.00 210 100.00 100.00 4.91e-152 PDB 3RYR "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" 100.00 210 100.00 100.00 4.91e-152 PDB 4BH9 "A Structural Model Of Cap Mutant (t127l And S128i) In The Apo State" 100.00 209 99.04 99.04 7.42e-150 PDB 4BHP "A Structural Model Of Cap Mutant (t127l And S128i) In Cgmp- Bound State" 99.52 209 99.04 99.04 3.18e-149 PDB 4FT8 "E. Coli Catabolite Activator Protein With Cobalt And Sulfate Ligands" 100.00 209 100.00 100.00 6.03e-152 PDB 4HZF "Structure Of The Wild Type Catabolite Gene Activator Protein" 100.00 222 100.00 100.00 1.10e-151 PDB 4I01 "Structure Of The Mutant Catabolite Gen Activator Protein V140l" 100.00 222 99.52 100.00 3.97e-151 PDB 4I02 "Structure Of The Mutant Catabolite Gene Activator Protein V140a" 100.00 222 99.52 99.52 5.22e-151 PDB 4I09 "Structure Of The Mutant Catabolite Gene Activator Protein V132l" 100.00 222 99.52 100.00 3.97e-151 PDB 4I0A "Structure Of The Mutant Catabolite Gene Activator Protein V132a" 100.00 222 99.52 99.52 5.22e-151 PDB 4I0B "Structure Of The Mutant Catabolite Gene Activator Protein H160l" 100.00 222 99.52 99.52 6.18e-150 PDB 4N9H "Crystal Structure Of Transcription Regulation Protein Crp" 100.00 210 97.13 97.13 8.57e-146 PDB 4N9I "Crystal Structure Of Transcription Regulation Protein Crp Complexed With Cgmp" 100.00 210 100.00 100.00 4.91e-152 PDB 4R8H "The Role Of Protein-ligand Contacts In Allosteric Regulation Of The Escherichia Coli Catabolite Activator Protein" 100.00 222 100.00 100.00 1.10e-151 DBJ BAB37631 "cyclic AMP receptor protein [Escherichia coli O157:H7 str. Sakai]" 100.00 210 100.00 100.00 4.91e-152 DBJ BAC10627 "CRP [Pectobacterium carotovorum subsp. carotovorum]" 100.00 210 99.52 99.52 3.52e-151 DBJ BAE75576 "cAMP-regulatory protein [Sodalis glossinidius str. 'morsitans']" 100.00 210 99.04 99.52 1.01e-150 DBJ BAE77933 "DNA-binding transcriptional dual regulator [Escherichia coli str. K12 substr. W3110]" 100.00 210 99.52 99.52 3.26e-151 DBJ BAG79143 "cyclic AMP receptor protein [Escherichia coli SE11]" 100.00 210 99.52 99.52 4.43e-151 EMBL CAA04867 "catabolite gene activator protein; cyclic AMP receptor protein [Escherichia coli]" 100.00 210 99.04 100.00 4.24e-151 EMBL CAA61609 "CRP regulatory protein [Dickeya chrysanthemi]" 100.00 210 98.09 99.52 7.69e-150 EMBL CAC07215 "cAMP receptor protein [Klebsiella pneumoniae]" 100.00 210 98.56 99.52 9.79e-150 EMBL CAD08147 "cyclic AMP receptor protein,catabolite gene activator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 210 99.04 99.52 6.42e-151 EMBL CAE12690 "Catabolite gene activator (cAMP receptor protein) (cAMP-regulatory protein) [Photorhabdus luminescens subsp. laumondii TTO1]" 100.00 210 98.09 99.04 9.16e-150 GB AAA23601 "cAMP receptor protein (crp) [Escherichia coli]" 100.00 210 100.00 100.00 4.91e-152 GB AAA25058 "catabolite activator protein [Enterobacter aerogenes]" 100.00 210 99.52 100.00 1.20e-151 GB AAA26515 "catabolite gene activator protein [Shigella flexneri]" 100.00 210 100.00 100.00 4.91e-152 GB AAA27039 "catabolite gene activator protein [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 210 99.52 100.00 1.20e-151 GB AAA58154 "cyclic AMP receptor protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 210 100.00 100.00 4.91e-152 PIR A44903 "cAMP receptor protein - Klebsiella pneumoniae" 100.00 210 99.52 100.00 1.20e-151 PIR AG1002 "cyclic AMP receptor protein,catabolite gene activator [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT" 100.00 210 99.04 99.52 6.42e-151 REF NP_312235 "cAMP-regulatory protein [Escherichia coli O157:H7 str. Sakai]" 100.00 210 100.00 100.00 4.91e-152 REF NP_417816 "cAMP-activated global transcription factor, mediator of catabolite repression [Escherichia coli str. K-12 substr. MG1655]" 100.00 210 100.00 100.00 4.91e-152 REF NP_458435 "cyclic AMP receptor protein,catabolite gene activator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 210 99.04 99.52 6.42e-151 REF NP_462369 "cAMP-activated global transcriptional regulator [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 210 99.52 100.00 1.20e-151 REF NP_709132 "DNA-binding transcriptional dual regulator Crp [Shigella flexneri 2a str. 301]" 100.00 210 100.00 100.00 4.91e-152 SP P0A2T6 "RecName: Full=cAMP-activated global transcriptional regulator CRP; AltName: Full=Catabolite activator protein; Short=CAP; AltNa" 100.00 210 99.52 100.00 1.20e-151 SP P0A2T7 "RecName: Full=cAMP-activated global transcriptional regulator CRP; AltName: Full=Catabolite activator protein; Short=CAP; AltNa" 100.00 210 99.52 100.00 1.20e-151 SP P0ACJ8 "RecName: Full=cAMP-activated global transcriptional regulator CRP; AltName: Full=Catabolite activator protein; Short=CAP; AltNa" 100.00 210 100.00 100.00 4.91e-152 SP P0ACJ9 "RecName: Full=cAMP-activated global transcriptional regulator CRP; AltName: Full=Catabolite activator protein; Short=CAP; AltNa" 100.00 210 100.00 100.00 4.91e-152 SP P0ACK0 "RecName: Full=cAMP-activated global transcriptional regulator CRP; AltName: Full=Catabolite activator protein; Short=CAP; AltNa" 100.00 210 100.00 100.00 4.91e-152 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CRP 'E. coli' 562 Eubacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $CRP 'recombinant technology' E.coli Escherichia coli pp47 plasmid pLCRP1 $CRP 'recombinant technology' E.coli Escherichia coli BL21 plasmid pT7-CRP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CRP 0.6 mM '[U-90% 2H; U-95% 13C; U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version . _Details . _Citation_label $ref-2 save_ save_nmrDraw _Saveframe_category software _Name NMRDraw _Version . _Details . _Citation_label $ref-2 save_ save_NMR_View _Saveframe_category software _Name NMRView _Version . _Details . _Citation_label $ref-1 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_1H-15N_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label $sample_1 save_ save_CT-HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name CT-HNCA _Sample_label $sample_1 save_ save_CT-HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name CT-HN(CO)CA _Sample_label $sample_1 save_ save_CT-HN(CA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name CT-HN(CA)CB _Sample_label $sample_1 save_ save_CT-HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name CT-HN(COCA)CB _Sample_label $sample_1 save_ save_CT-HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name CT-HNCO _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.0 0.2 n/a temperature 313 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'CRP subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 VAL C C 176.72 . 1 2 . 1 VAL CA C 62.37 . 1 3 . 1 VAL CB C 32.29 . 1 4 . 2 LEU H H 8.23 . 1 5 . 2 LEU C C 177.81 . 1 6 . 2 LEU CA C 55.02 . 1 7 . 2 LEU CB C 41.79 . 1 8 . 2 LEU N N 125.41 . 1 9 . 3 GLY H H 8.27 . 1 10 . 3 GLY C C 173.16 . 1 11 . 3 GLY CA C 45.04 . 1 12 . 3 GLY N N 110.02 . 1 13 . 4 LYS H H 8.00 . 1 14 . 4 LYS CA C 53.88 . 1 15 . 4 LYS CB C 32.35 . 1 16 . 4 LYS N N 122.18 . 1 17 . 5 PRO C C 176.95 . 1 18 . 5 PRO CA C 63.07 . 1 19 . 5 PRO CB C 31.70 . 1 20 . 6 GLN H H 8.47 . 1 21 . 6 GLN C C 176.13 . 1 22 . 6 GLN CA C 55.78 . 1 23 . 6 GLN CB C 29.15 . 1 24 . 6 GLN N N 120.77 . 1 25 . 7 THR H H 8.05 . 1 26 . 7 THR C C 173.59 . 1 27 . 7 THR CA C 61.56 . 1 28 . 7 THR CB C 69.90 . 1 29 . 7 THR N N 115.99 . 1 30 . 8 ASP H H 8.43 . 1 31 . 8 ASP CA C 51.32 . 1 32 . 8 ASP CB C 41.64 . 1 33 . 8 ASP N N 123.73 . 1 34 . 9 PRO C C 179.93 . 1 35 . 9 PRO CA C 64.86 . 1 36 . 9 PRO CB C 31.82 . 1 37 . 10 THR H H 8.28 . 1 38 . 10 THR C C 176.26 . 1 39 . 10 THR CA C 66.64 . 1 40 . 10 THR CB C 67.93 . 1 41 . 10 THR N N 117.30 . 1 42 . 11 LEU H H 7.82 . 1 43 . 11 LEU C C 178.64 . 1 44 . 11 LEU CA C 57.44 . 1 45 . 11 LEU CB C 41.14 . 1 46 . 11 LEU N N 124.13 . 1 47 . 12 GLU H H 8.38 . 1 48 . 12 GLU C C 179.44 . 1 49 . 12 GLU CA C 59.67 . 1 50 . 12 GLU CB C 29.13 . 1 51 . 12 GLU N N 118.96 . 1 52 . 13 TRP H H 8.18 . 1 53 . 13 TRP C C 179.27 . 1 54 . 13 TRP CA C 59.64 . 1 55 . 13 TRP CB C 29.89 . 1 56 . 13 TRP N N 121.14 . 1 57 . 14 PHE H H 8.73 . 1 58 . 14 PHE C C 177.55 . 1 59 . 14 PHE CA C 60.10 . 1 60 . 14 PHE CB C 38.86 . 1 61 . 14 PHE N N 123.34 . 1 62 . 15 LEU H H 8.90 . 1 63 . 15 LEU C C 179.82 . 1 64 . 15 LEU CA C 57.78 . 1 65 . 15 LEU CB C 40.32 . 1 66 . 15 LEU N N 119.69 . 1 67 . 16 SER H H 7.55 . 1 68 . 16 SER C C 174.59 . 1 69 . 16 SER CA C 60.78 . 1 70 . 16 SER CB C 62.80 . 1 71 . 16 SER N N 114.80 . 1 72 . 17 HIS H H 7.47 . 1 73 . 17 HIS C C 174.38 . 1 74 . 17 HIS CA C 56.85 . 1 75 . 17 HIS CB C 30.87 . 1 76 . 17 HIS N N 118.96 . 1 77 . 18 CYS H H 7.13 . 1 78 . 18 CYS C C 173.94 . 1 79 . 18 CYS CA C 58.66 . 1 80 . 18 CYS CB C 30.74 . 1 81 . 18 CYS N N 116.97 . 1 82 . 19 HIS H H 8.50 . 1 83 . 19 HIS C C 174.74 . 1 84 . 19 HIS CA C 54.53 . 1 85 . 19 HIS CB C 30.61 . 1 86 . 19 HIS N N 119.15 . 1 87 . 20 ILE H H 8.70 . 1 88 . 20 ILE C C 175.30 . 1 89 . 20 ILE CA C 60.13 . 1 90 . 20 ILE CB C 36.85 . 1 91 . 20 ILE N N 126.97 . 1 92 . 21 HIS H H 9.14 . 1 93 . 21 HIS C C 173.23 . 1 94 . 21 HIS CA C 53.95 . 1 95 . 21 HIS CB C 32.85 . 1 96 . 21 HIS N N 127.39 . 1 97 . 22 LYS H H 8.33 . 1 98 . 22 LYS C C 175.68 . 1 99 . 22 LYS CA C 55.35 . 1 100 . 22 LYS CB C 33.04 . 1 101 . 22 LYS N N 123.44 . 1 102 . 23 TYR H H 8.85 . 1 103 . 23 TYR CA C 55.20 . 1 104 . 23 TYR CB C 40.49 . 1 105 . 23 TYR N N 122.91 . 1 106 . 24 PRO C C 176.81 . 1 107 . 24 PRO CA C 61.40 . 1 108 . 24 PRO CB C 32.37 . 1 109 . 25 SER H H 8.66 . 1 110 . 25 SER C C 174.75 . 1 111 . 25 SER CA C 60.17 . 1 112 . 25 SER CB C 63.16 . 1 113 . 25 SER N N 115.96 . 1 114 . 26 LYS H H 8.04 . 1 115 . 26 LYS C C 175.78 . 1 116 . 26 LYS CA C 59.14 . 1 117 . 26 LYS CB C 29.63 . 1 118 . 26 LYS N N 116.97 . 1 119 . 27 SER H H 7.79 . 1 120 . 27 SER C C 173.81 . 1 121 . 27 SER CA C 59.31 . 1 122 . 27 SER CB C 64.61 . 1 123 . 27 SER N N 115.55 . 1 124 . 28 THR H H 8.94 . 1 125 . 28 THR C C 173.61 . 1 126 . 28 THR CA C 63.57 . 1 127 . 28 THR CB C 68.69 . 1 128 . 28 THR N N 121.03 . 1 129 . 29 LEU H H 8.54 . 1 130 . 29 LEU C C 176.00 . 1 131 . 29 LEU CA C 57.69 . 1 132 . 29 LEU CB C 42.79 . 1 133 . 29 LEU N N 128.37 . 1 134 . 30 ILE H H 7.10 . 1 135 . 30 ILE C C 174.35 . 1 136 . 30 ILE CA C 60.21 . 1 137 . 30 ILE CB C 42.48 . 1 138 . 30 ILE N N 117.23 . 1 139 . 31 HIS H H 8.69 . 1 140 . 31 HIS C C 173.35 . 1 141 . 31 HIS CA C 54.36 . 1 142 . 31 HIS CB C 30.35 . 1 143 . 31 HIS N N 124.91 . 1 144 . 32 GLN H H 8.02 . 1 145 . 32 GLN C C 176.40 . 1 146 . 32 GLN CA C 56.84 . 1 147 . 32 GLN CB C 27.03 . 1 148 . 32 GLN N N 119.99 . 1 149 . 33 GLY H H 8.77 . 1 150 . 33 GLY C C 173.92 . 1 151 . 33 GLY CA C 44.79 . 1 152 . 33 GLY N N 114.41 . 1 153 . 34 GLU H H 7.20 . 1 154 . 34 GLU C C 176.00 . 1 155 . 34 GLU CA C 55.47 . 1 156 . 34 GLU CB C 30.50 . 1 157 . 34 GLU N N 119.42 . 1 158 . 35 LYS H H 8.57 . 1 159 . 35 LYS C C 176.65 . 1 160 . 35 LYS CA C 56.78 . 1 161 . 35 LYS CB C 31.98 . 1 162 . 35 LYS N N 122.48 . 1 163 . 36 ALA H H 8.58 . 1 164 . 36 ALA CA C 52.47 . 1 165 . 36 ALA CB C 19.13 . 1 166 . 36 ALA N N 128.33 . 1 167 . 37 GLU C C 176.04 . 1 168 . 37 GLU CA C 56.32 . 1 169 . 37 GLU CB C 29.25 . 1 170 . 38 THR H H 8.16 . 1 171 . 38 THR C C 175.68 . 1 172 . 38 THR CA C 61.51 . 1 173 . 38 THR CB C 69.90 . 1 174 . 38 THR N N 116.35 . 1 175 . 39 LEU H H 9.50 . 1 176 . 39 LEU CA C 54.54 . 1 177 . 39 LEU CB C 45.79 . 1 178 . 39 LEU N N 126.97 . 1 179 . 43 VAL C C 176.84 . 1 180 . 43 VAL CA C 64.41 . 1 181 . 43 VAL CB C 32.07 . 1 182 . 44 LYS H H 8.03 . 1 183 . 44 LYS C C 174.67 . 1 184 . 44 LYS CA C 56.11 . 1 185 . 44 LYS CB C 36.91 . 1 186 . 44 LYS N N 117.84 . 1 187 . 45 GLY H H 8.61 . 1 188 . 45 GLY C C 171.36 . 1 189 . 45 GLY CA C 44.07 . 1 190 . 45 GLY N N 112.58 . 1 191 . 46 SER H H 7.09 . 1 192 . 46 SER C C 174.11 . 1 193 . 46 SER CA C 56.83 . 1 194 . 46 SER CB C 66.37 . 1 195 . 46 SER N N 110.01 . 1 196 . 47 VAL H H 8.91 . 1 197 . 47 VAL C C 172.90 . 1 198 . 47 VAL CA C 58.65 . 1 199 . 47 VAL CB C 34.51 . 1 200 . 47 VAL N N 116.26 . 1 201 . 48 ALA H H 9.18 . 1 202 . 48 ALA C C 174.89 . 1 203 . 48 ALA CA C 50.14 . 1 204 . 48 ALA CB C 21.93 . 1 205 . 48 ALA N N 123.73 . 1 206 . 49 VAL H H 8.53 . 1 207 . 49 VAL C C 175.68 . 1 208 . 49 VAL CA C 61.52 . 1 209 . 49 VAL CB C 31.68 . 1 210 . 49 VAL N N 123.75 . 1 211 . 50 LEU H H 8.87 . 1 212 . 50 LEU C C 173.56 . 1 213 . 50 LEU CA C 52.94 . 1 214 . 50 LEU CB C 44.76 . 1 215 . 50 LEU N N 126.42 . 1 216 . 51 ILE H H 8.48 . 1 217 . 51 ILE C C 174.74 . 1 218 . 51 ILE CA C 59.56 . 1 219 . 51 ILE CB C 41.11 . 1 220 . 51 ILE N N 121.33 . 1 221 . 52 LYS H H 8.21 . 1 222 . 52 LYS C C 176.71 . 1 223 . 52 LYS CA C 54.61 . 1 224 . 52 LYS CB C 35.14 . 1 225 . 52 LYS N N 120.52 . 1 226 . 53 ASP H H 8.56 . 1 227 . 53 ASP C C 178.22 . 1 228 . 53 ASP CA C 52.19 . 1 229 . 53 ASP CB C 41.50 . 1 230 . 53 ASP N N 123.53 . 1 231 . 54 GLU H H 8.89 . 1 232 . 54 GLU C C 177.67 . 1 233 . 54 GLU CA C 58.69 . 1 234 . 54 GLU CB C 28.72 . 1 235 . 54 GLU N N 118.04 . 1 236 . 55 GLU H H 8.18 . 1 237 . 55 GLU C C 176.71 . 1 238 . 55 GLU CA C 55.62 . 1 239 . 55 GLU CB C 29.78 . 1 240 . 55 GLU N N 118.82 . 1 241 . 56 GLY H H 8.16 . 1 242 . 56 GLY C C 174.16 . 1 243 . 56 GLY CA C 45.20 . 1 244 . 56 GLY N N 109.05 . 1 245 . 57 LYS H H 8.48 . 1 246 . 57 LYS C C 176.47 . 1 247 . 57 LYS CA C 55.63 . 1 248 . 57 LYS CB C 31.83 . 1 249 . 57 LYS N N 123.42 . 1 250 . 58 GLU H H 8.42 . 1 251 . 58 GLU C C 176.30 . 1 252 . 58 GLU CA C 55.95 . 1 253 . 58 GLU CB C 30.94 . 1 254 . 58 GLU N N 122.01 . 1 255 . 59 MET H H 8.97 . 1 256 . 59 MET C C 174.11 . 1 257 . 59 MET CA C 54.38 . 1 258 . 59 MET CB C 34.83 . 1 259 . 59 MET N N 124.09 . 1 260 . 60 ILE H H 8.39 . 1 261 . 60 ILE C C 176.07 . 1 262 . 60 ILE CA C 61.05 . 1 263 . 60 ILE CB C 37.33 . 1 264 . 60 ILE N N 125.09 . 1 265 . 61 LEU H H 9.35 . 1 266 . 61 LEU C C 172.69 . 1 267 . 61 LEU CA C 55.88 . 1 268 . 61 LEU CB C 42.61 . 1 269 . 61 LEU N N 128.60 . 1 270 . 62 SER H H 7.40 . 1 271 . 62 SER C C 171.49 . 1 272 . 62 SER CA C 57.32 . 1 273 . 62 SER CB C 65.56 . 1 274 . 62 SER N N 110.07 . 1 275 . 63 TYR H H 8.24 . 1 276 . 63 TYR C C 175.53 . 1 277 . 63 TYR CA C 56.89 . 1 278 . 63 TYR CB C 40.45 . 1 279 . 63 TYR N N 119.13 . 1 280 . 64 LEU H H 8.55 . 1 281 . 64 LEU C C 175.42 . 1 282 . 64 LEU CA C 53.47 . 1 283 . 64 LEU CB C 43.80 . 1 284 . 64 LEU N N 121.96 . 1 285 . 65 ASN H H 9.64 . 1 286 . 65 ASN C C 173.35 . 1 287 . 65 ASN CA C 51.84 . 1 288 . 65 ASN CB C 43.71 . 1 289 . 65 ASN N N 121.72 . 1 290 . 66 GLN H H 7.63 . 1 291 . 66 GLN C C 176.15 . 1 292 . 66 GLN CA C 56.75 . 1 293 . 66 GLN CB C 28.02 . 1 294 . 66 GLN N N 117.93 . 1 295 . 67 GLY H H 8.78 . 1 296 . 67 GLY C C 173.35 . 1 297 . 67 GLY CA C 43.80 . 1 298 . 67 GLY N N 114.88 . 1 299 . 68 ASP H H 8.02 . 1 300 . 68 ASP C C 180.00 . 1 301 . 68 ASP CA C 53.78 . 1 302 . 68 ASP CB C 42.29 . 1 303 . 68 ASP N N 120.06 . 1 304 . 69 PHE H H 8.01 . 1 305 . 69 PHE C C 175.80 . 1 306 . 69 PHE CA C 56.83 . 1 307 . 69 PHE CB C 40.98 . 1 308 . 69 PHE N N 120.45 . 1 309 . 70 ILE H H 8.98 . 1 310 . 70 ILE C C 176.40 . 1 311 . 70 ILE CA C 60.60 . 1 312 . 70 ILE CB C 40.71 . 1 313 . 70 ILE N N 117.18 . 1 314 . 71 GLY H H 8.80 . 1 315 . 71 GLY C C 176.82 . 1 316 . 71 GLY CA C 45.69 . 1 317 . 71 GLY N N 112.31 . 1 318 . 72 GLU H H 11.03 . 1 319 . 72 GLU C C 176.73 . 1 320 . 72 GLU CA C 59.32 . 1 321 . 72 GLU CB C 28.96 . 1 322 . 72 GLU N N 125.01 . 1 323 . 73 LEU H H 8.22 . 1 324 . 73 LEU C C 179.69 . 1 325 . 73 LEU CA C 58.14 . 1 326 . 73 LEU CB C 39.68 . 1 327 . 73 LEU N N 118.55 . 1 328 . 74 GLY H H 7.54 . 1 329 . 74 GLY C C 173.79 . 1 330 . 74 GLY CA C 46.05 . 1 331 . 74 GLY N N 105.14 . 1 332 . 75 LEU H H 6.58 . 1 333 . 75 LEU C C 176.54 . 1 334 . 75 LEU CA C 55.82 . 1 335 . 75 LEU CB C 41.18 . 1 336 . 75 LEU N N 119.94 . 1 337 . 76 PHE H H 6.82 . 1 338 . 76 PHE C C 175.01 . 1 339 . 76 PHE CA C 57.91 . 1 340 . 76 PHE CB C 40.01 . 1 341 . 76 PHE N N 113.72 . 1 342 . 77 GLU H H 7.45 . 1 343 . 77 GLU C C 174.44 . 1 344 . 77 GLU CA C 55.03 . 1 345 . 77 GLU CB C 30.46 . 1 346 . 77 GLU N N 120.38 . 1 347 . 78 GLU H H 8.28 . 1 348 . 78 GLU C C 177.96 . 1 349 . 78 GLU CA C 56.94 . 1 350 . 78 GLU CB C 29.92 . 1 351 . 78 GLU N N 123.06 . 1 352 . 79 GLY H H 8.74 . 1 353 . 79 GLY C C 174.74 . 1 354 . 79 GLY CA C 45.84 . 1 355 . 79 GLY N N 111.67 . 1 356 . 80 GLN H H 8.22 . 1 357 . 80 GLN C C 175.65 . 1 358 . 80 GLN CA C 55.58 . 1 359 . 80 GLN CB C 29.41 . 1 360 . 80 GLN N N 120.08 . 1 361 . 81 GLU H H 8.45 . 1 362 . 81 GLU C C 177.22 . 1 363 . 81 GLU CA C 55.15 . 1 364 . 81 GLU CB C 30.94 . 1 365 . 81 GLU N N 122.16 . 1 366 . 82 ARG H H 8.86 . 1 367 . 82 ARG C C 178.29 . 1 368 . 82 ARG CA C 54.95 . 1 369 . 82 ARG CB C 29.67 . 1 370 . 82 ARG N N 120.61 . 1 371 . 83 SER H H 8.94 . 1 372 . 83 SER C C 173.30 . 1 373 . 83 SER CA C 59.15 . 1 374 . 83 SER CB C 64.30 . 1 375 . 83 SER N N 120.68 . 1 376 . 84 ALA H H 7.51 . 1 377 . 84 ALA C C 175.97 . 1 378 . 84 ALA CA C 51.29 . 1 379 . 84 ALA CB C 21.78 . 1 380 . 84 ALA N N 123.65 . 1 381 . 85 TRP H H 8.77 . 1 382 . 85 TRP C C 175.71 . 1 383 . 85 TRP CA C 56.98 . 1 384 . 85 TRP CB C 31.15 . 1 385 . 85 TRP N N 118.96 . 1 386 . 86 VAL H H 8.45 . 1 387 . 86 VAL C C 175.05 . 1 388 . 86 VAL CA C 61.00 . 1 389 . 86 VAL CB C 33.62 . 1 390 . 86 VAL N N 119.51 . 1 391 . 87 ARG H H 9.11 . 1 392 . 87 ARG C C 174.70 . 1 393 . 87 ARG CA C 53.57 . 1 394 . 87 ARG CB C 34.63 . 1 395 . 87 ARG N N 128.93 . 1 396 . 88 ALA H H 8.89 . 1 397 . 88 ALA C C 177.84 . 1 398 . 88 ALA CA C 53.43 . 1 399 . 88 ALA CB C 18.67 . 1 400 . 88 ALA N N 128.69 . 1 401 . 89 LYS H H 9.19 . 1 402 . 89 LYS C C 176.76 . 1 403 . 89 LYS CA C 57.21 . 1 404 . 89 LYS CB C 32.76 . 1 405 . 89 LYS N N 129.50 . 1 406 . 90 THR H H 7.45 . 1 407 . 90 THR C C 173.78 . 1 408 . 90 THR CA C 59.19 . 1 409 . 90 THR CB C 72.18 . 1 410 . 90 THR N N 110.12 . 1 411 . 91 ALA H H 8.31 . 1 412 . 91 ALA C C 180.10 . 1 413 . 91 ALA CA C 53.74 . 1 414 . 91 ALA CB C 17.41 . 1 415 . 91 ALA N N 122.01 . 1 416 . 92 CYS H H 9.21 . 1 417 . 92 CYS C C 173.87 . 1 418 . 92 CYS CA C 57.18 . 1 419 . 92 CYS CB C 32.09 . 1 420 . 92 CYS N N 121.05 . 1 421 . 93 GLU H H 8.98 . 1 422 . 93 GLU C C 175.34 . 1 423 . 93 GLU CA C 55.49 . 1 424 . 93 GLU CB C 31.89 . 1 425 . 93 GLU N N 124.88 . 1 426 . 94 VAL H H 9.29 . 1 427 . 94 VAL C C 173.43 . 1 428 . 94 VAL CA C 60.24 . 1 429 . 94 VAL CB C 35.56 . 1 430 . 94 VAL N N 123.83 . 1 431 . 95 ALA H H 9.86 . 1 432 . 95 ALA C C 175.89 . 1 433 . 95 ALA CA C 50.36 . 1 434 . 95 ALA CB C 21.14 . 1 435 . 95 ALA N N 131.31 . 1 436 . 96 GLU H H 8.96 . 1 437 . 96 GLU C C 174.99 . 1 438 . 96 GLU CA C 54.47 . 1 439 . 96 GLU CB C 33.11 . 1 440 . 96 GLU N N 121.81 . 1 441 . 97 ILE H H 8.66 . 1 442 . 97 ILE C C 172.20 . 1 443 . 97 ILE CA C 59.34 . 1 444 . 97 ILE CB C 40.26 . 1 445 . 97 ILE N N 123.25 . 1 446 . 98 SER H H 8.72 . 1 447 . 98 SER C C 175.79 . 1 448 . 98 SER CA C 57.86 . 1 449 . 98 SER CB C 64.04 . 1 450 . 98 SER N N 124.11 . 1 451 . 99 TYR H H 8.19 . 1 452 . 99 TYR C C 178.54 . 1 453 . 99 TYR CA C 58.07 . 1 454 . 99 TYR CB C 36.27 . 1 455 . 99 TYR N N 122.19 . 1 456 . 100 LYS H H 8.16 . 1 457 . 100 LYS C C 178.92 . 1 458 . 100 LYS CA C 59.78 . 1 459 . 100 LYS CB C 32.33 . 1 460 . 100 LYS N N 117.04 . 1 461 . 101 LYS H H 8.02 . 1 462 . 101 LYS C C 179.31 . 1 463 . 101 LYS CA C 58.14 . 1 464 . 101 LYS CB C 31.54 . 1 465 . 101 LYS N N 120.56 . 1 466 . 102 PHE H H 8.95 . 1 467 . 102 PHE C C 176.91 . 1 468 . 102 PHE CA C 62.68 . 1 469 . 102 PHE CB C 39.35 . 1 470 . 102 PHE N N 121.81 . 1 471 . 103 ARG H H 8.43 . 1 472 . 103 ARG C C 178.70 . 1 473 . 103 ARG CA C 59.69 . 1 474 . 103 ARG CB C 29.63 . 1 475 . 103 ARG N N 115.41 . 1 476 . 104 GLN H H 7.23 . 1 477 . 104 GLN C C 179.08 . 1 478 . 104 GLN CA C 58.24 . 1 479 . 104 GLN CB C 27.91 . 1 480 . 104 GLN N N 117.83 . 1 481 . 105 LEU H H 7.92 . 1 482 . 105 LEU C C 179.56 . 1 483 . 105 LEU CA C 57.68 . 1 484 . 105 LEU CB C 40.05 . 1 485 . 105 LEU N N 120.12 . 1 486 . 106 ILE H H 7.61 . 1 487 . 106 ILE C C 175.20 . 1 488 . 106 ILE CA C 64.34 . 1 489 . 106 ILE CB C 37.62 . 1 490 . 106 ILE N N 116.34 . 1 491 . 107 GLN H H 6.70 . 1 492 . 107 GLN C C 177.66 . 1 493 . 107 GLN CA C 56.95 . 1 494 . 107 GLN CB C 28.02 . 1 495 . 107 GLN N N 112.16 . 1 496 . 108 VAL H H 7.21 . 1 497 . 108 VAL C C 176.61 . 1 498 . 108 VAL CA C 63.77 . 1 499 . 108 VAL CB C 32.17 . 1 500 . 108 VAL N N 117.13 . 1 501 . 109 ASN H H 7.79 . 1 502 . 109 ASN CA C 50.13 . 1 503 . 109 ASN CB C 38.42 . 1 504 . 109 ASN N N 114.14 . 1 505 . 110 PRO C C 177.69 . 1 506 . 110 PRO CA C 63.85 . 1 507 . 110 PRO CB C 32.69 . 1 508 . 111 ASP H H 8.06 . 1 509 . 111 ASP C C 179.25 . 1 510 . 111 ASP CA C 57.17 . 1 511 . 111 ASP CB C 40.73 . 1 512 . 111 ASP N N 120.12 . 1 513 . 112 ILE H H 7.69 . 1 514 . 112 ILE C C 176.28 . 1 515 . 112 ILE CA C 60.86 . 1 516 . 112 ILE CB C 37.83 . 1 517 . 112 ILE N N 115.73 . 1 518 . 113 LEU H H 7.06 . 1 519 . 113 LEU C C 179.07 . 1 520 . 113 LEU CA C 56.28 . 1 521 . 113 LEU CB C 44.58 . 1 522 . 113 LEU N N 123.49 . 1 523 . 114 MET H H 7.90 . 1 524 . 114 MET C C 178.23 . 1 525 . 114 MET CA C 58.24 . 1 526 . 114 MET CB C 30.49 . 1 527 . 114 MET N N 121.99 . 1 528 . 115 ARG H H 7.81 . 1 529 . 115 ARG C C 179.04 . 1 530 . 115 ARG CA C 58.09 . 1 531 . 115 ARG CB C 28.98 . 1 532 . 115 ARG N N 118.01 . 1 533 . 116 LEU H H 7.29 . 1 534 . 116 LEU C C 178.79 . 1 535 . 116 LEU CA C 58.20 . 1 536 . 116 LEU CB C 41.53 . 1 537 . 116 LEU N N 121.53 . 1 538 . 117 SER H H 8.74 . 1 539 . 117 SER C C 176.64 . 1 540 . 117 SER CA C 62.44 . 1 541 . 117 SER N N 116.82 . 1 542 . 118 ALA H H 8.17 . 1 543 . 118 ALA C C 179.95 . 1 544 . 118 ALA CA C 54.91 . 1 545 . 118 ALA CB C 17.95 . 1 546 . 118 ALA N N 124.39 . 1 547 . 119 GLN H H 7.30 . 1 548 . 119 GLN C C 178.86 . 1 549 . 119 GLN CA C 58.75 . 1 550 . 119 GLN CB C 27.18 . 1 551 . 119 GLN N N 117.51 . 1 552 . 120 MET H H 7.43 . 1 553 . 120 MET C C 177.40 . 1 554 . 120 MET CA C 60.00 . 1 555 . 120 MET CB C 33.73 . 1 556 . 120 MET N N 119.37 . 1 557 . 121 ALA H H 8.19 . 1 558 . 121 ALA C C 179.67 . 1 559 . 121 ALA CA C 54.86 . 1 560 . 121 ALA CB C 18.25 . 1 561 . 121 ALA N N 121.13 . 1 562 . 122 ARG H H 7.76 . 1 563 . 122 ARG C C 179.09 . 1 564 . 122 ARG CA C 59.05 . 1 565 . 122 ARG CB C 29.45 . 1 566 . 122 ARG N N 117.84 . 1 567 . 123 ARG H H 7.65 . 1 568 . 123 ARG C C 179.29 . 1 569 . 123 ARG CA C 58.62 . 1 570 . 123 ARG CB C 30.03 . 1 571 . 123 ARG N N 119.09 . 1 572 . 124 LEU H H 8.26 . 1 573 . 124 LEU C C 178.92 . 1 574 . 124 LEU CA C 56.66 . 1 575 . 124 LEU CB C 41.92 . 1 576 . 124 LEU N N 121.58 . 1 577 . 125 GLN H H 8.03 . 1 578 . 125 GLN C C 177.84 . 1 579 . 125 GLN CA C 58.14 . 1 580 . 125 GLN CB C 28.34 . 1 581 . 125 GLN N N 120.36 . 1 582 . 126 VAL H H 7.67 . 1 583 . 126 VAL C C 176.69 . 1 584 . 126 VAL CA C 63.98 . 1 585 . 126 VAL CB C 31.71 . 1 586 . 126 VAL N N 117.07 . 1 587 . 127 THR H H 7.81 . 1 588 . 127 THR C C 175.70 . 1 589 . 127 THR CA C 63.54 . 1 590 . 127 THR CB C 69.44 . 1 591 . 127 THR N N 114.12 . 1 592 . 128 SER H H 7.97 . 1 593 . 128 SER C C 174.80 . 1 594 . 128 SER CA C 59.66 . 1 595 . 128 SER CB C 63.77 . 1 596 . 128 SER N N 117.49 . 1 597 . 129 GLU H H 7.96 . 1 598 . 129 GLU C C 176.20 . 1 599 . 129 GLU CA C 56.78 . 1 600 . 129 GLU CB C 29.42 . 1 601 . 129 GLU N N 121.47 . 1 602 . 130 LYS H H 7.77 . 1 603 . 130 LYS C C 176.03 . 1 604 . 130 LYS CA C 55.75 . 1 605 . 130 LYS CB C 32.59 . 1 606 . 130 LYS N N 119.52 . 1 607 . 131 VAL H H 7.59 . 1 608 . 131 VAL C C 175.58 . 1 609 . 131 VAL CA C 62.28 . 1 610 . 131 VAL CB C 32.29 . 1 611 . 131 VAL N N 120.39 . 1 612 . 132 GLY H H 7.93 . 1 613 . 132 GLY C C 179.56 . 1 614 . 132 GLY CA C 45.27 . 1 615 . 132 GLY N N 110.30 . 1 616 . 133 ASN H H 7.63 . 1 617 . 133 ASN C C 175.19 . 1 618 . 133 ASN CA C 51.91 . 1 619 . 133 ASN CB C 38.93 . 1 620 . 133 ASN N N 116.43 . 1 621 . 134 LEU H H 9.05 . 1 622 . 134 LEU C C 178.57 . 1 623 . 134 LEU CA C 58.60 . 1 624 . 134 LEU CB C 41.00 . 1 625 . 134 LEU N N 119.15 . 1 626 . 135 ALA H H 8.19 . 1 627 . 135 ALA C C 180.11 . 1 628 . 135 ALA CA C 54.86 . 1 629 . 135 ALA CB C 17.58 . 1 630 . 135 ALA N N 121.30 . 1 631 . 136 PHE H H 8.16 . 1 632 . 136 PHE C C 175.82 . 1 633 . 136 PHE CA C 60.71 . 1 634 . 136 PHE CB C 41.24 . 1 635 . 136 PHE N N 121.21 . 1 636 . 137 LEU H H 8.21 . 1 637 . 137 LEU CA C 55.20 . 1 638 . 137 LEU CB C 40.59 . 1 639 . 137 LEU N N 122.32 . 1 640 . 138 ASP C C 177.41 . 1 641 . 138 ASP CA C 56.84 . 1 642 . 138 ASP CB C 40.72 . 1 643 . 139 VAL H H 7.72 . 1 644 . 139 VAL C C 177.57 . 1 645 . 139 VAL CA C 67.02 . 1 646 . 139 VAL CB C 30.88 . 1 647 . 139 VAL N N 118.88 . 1 648 . 140 THR H H 8.15 . 1 649 . 140 THR C C 176.14 . 1 650 . 140 THR CA C 68.01 . 1 651 . 140 THR CB C 64.35 . 1 652 . 140 THR N N 117.81 . 1 653 . 141 GLY H H 8.17 . 1 654 . 141 GLY C C 179.30 . 1 655 . 141 GLY CA C 48.27 . 1 656 . 141 GLY N N 109.59 . 1 657 . 142 ARG H H 8.31 . 1 658 . 142 ARG C C 177.66 . 1 659 . 142 ARG CA C 59.54 . 1 660 . 142 ARG CB C 29.93 . 1 661 . 142 ARG N N 121.16 . 1 662 . 143 ILE H H 8.42 . 1 663 . 143 ILE C C 177.40 . 1 664 . 143 ILE CA C 66.56 . 1 665 . 143 ILE CB C 36.46 . 1 666 . 143 ILE N N 123.94 . 1 667 . 144 ALA H H 8.62 . 1 668 . 144 ALA C C 178.48 . 1 669 . 144 ALA CA C 56.19 . 1 670 . 144 ALA CB C 18.55 . 1 671 . 144 ALA N N 124.11 . 1 672 . 145 GLN H H 8.82 . 1 673 . 145 GLN C C 178.25 . 1 674 . 145 GLN CA C 58.99 . 1 675 . 145 GLN CB C 28.96 . 1 676 . 145 GLN N N 116.18 . 1 677 . 146 THR H H 7.85 . 1 678 . 146 THR C C 179.96 . 1 679 . 146 THR CA C 67.17 . 1 680 . 146 THR CB C 68.28 . 1 681 . 146 THR N N 117.33 . 1 682 . 147 LEU H H 8.28 . 1 683 . 147 LEU C C 178.25 . 1 684 . 147 LEU CA C 58.23 . 1 685 . 147 LEU CB C 40.62 . 1 686 . 147 LEU N N 120.76 . 1 687 . 148 LEU H H 7.90 . 1 688 . 148 LEU C C 179.56 . 1 689 . 148 LEU CA C 57.79 . 1 690 . 148 LEU CB C 41.45 . 1 691 . 148 LEU N N 117.31 . 1 692 . 149 ASN H H 8.28 . 1 693 . 149 ASN C C 178.39 . 1 694 . 149 ASN CA C 55.93 . 1 695 . 149 ASN CB C 38.30 . 1 696 . 149 ASN N N 117.40 . 1 697 . 150 LEU H H 8.59 . 1 698 . 150 LEU C C 178.39 . 1 699 . 150 LEU CA C 57.83 . 1 700 . 150 LEU CB C 41.34 . 1 701 . 150 LEU N N 121.63 . 1 702 . 151 ALA H H 7.87 . 1 703 . 151 ALA C C 176.22 . 1 704 . 151 ALA CA C 53.79 . 1 705 . 151 ALA CB C 17.44 . 1 706 . 151 ALA N N 120.77 . 1 707 . 152 LYS H H 7.12 . 1 708 . 152 LYS C C 177.21 . 1 709 . 152 LYS CA C 55.36 . 1 710 . 152 LYS CB C 32.75 . 1 711 . 152 LYS N N 113.99 . 1 712 . 153 GLN H H 7.25 . 1 713 . 153 GLN CA C 54.13 . 1 714 . 153 GLN CB C 27.95 . 1 715 . 153 GLN N N 120.07 . 1 716 . 154 PRO C C 176.34 . 1 717 . 154 PRO CA C 64.69 . 1 718 . 154 PRO CB C 31.49 . 1 719 . 155 ASP H H 7.88 . 1 720 . 155 ASP C C 176.74 . 1 721 . 155 ASP CA C 53.46 . 1 722 . 155 ASP CB C 39.94 . 1 723 . 155 ASP N N 113.00 . 1 724 . 156 ALA H H 7.59 . 1 725 . 156 ALA C C 176.94 . 1 726 . 156 ALA CA C 52.79 . 1 727 . 156 ALA CB C 19.33 . 1 728 . 156 ALA N N 125.18 . 1 729 . 157 MET H H 8.72 . 1 730 . 157 MET C C 176.14 . 1 731 . 157 MET CA C 54.01 . 1 732 . 157 MET CB C 35.21 . 1 733 . 157 MET N N 120.70 . 1 734 . 158 THR H H 8.55 . 1 735 . 158 THR C C 173.17 . 1 736 . 158 THR CA C 63.92 . 1 737 . 158 THR CB C 69.35 . 1 738 . 158 THR N N 118.98 . 1 739 . 159 HIS H H 8.26 . 1 740 . 159 HIS CA C 54.51 . 1 741 . 159 HIS CB C 34.54 . 1 742 . 159 HIS N N 127.99 . 1 743 . 160 PRO C C 177.60 . 1 744 . 160 PRO CA C 65.74 . 1 745 . 160 PRO CB C 31.72 . 1 746 . 161 ASP H H 11.10 . 1 747 . 161 ASP C C 177.07 . 1 748 . 161 ASP CA C 54.01 . 1 749 . 161 ASP CB C 42.38 . 1 750 . 161 ASP N N 117.75 . 1 751 . 162 GLY H H 7.91 . 1 752 . 162 GLY C C 181.34 . 1 753 . 162 GLY CA C 46.89 . 1 754 . 162 GLY N N 109.33 . 1 755 . 163 MET H H 7.92 . 1 756 . 163 MET C C 174.57 . 1 757 . 163 MET CA C 52.55 . 1 758 . 163 MET CB C 33.44 . 1 759 . 163 MET N N 122.06 . 1 760 . 164 GLN H H 9.80 . 1 761 . 164 GLN C C 174.64 . 1 762 . 164 GLN CA C 54.08 . 1 763 . 164 GLN CB C 31.80 . 1 764 . 164 GLN N N 123.66 . 1 765 . 165 ILE H H 9.21 . 1 766 . 165 ILE C C 174.35 . 1 767 . 165 ILE CA C 58.97 . 1 768 . 165 ILE CB C 40.98 . 1 769 . 165 ILE N N 122.03 . 1 770 . 166 LYS H H 8.55 . 1 771 . 166 LYS C C 174.72 . 1 772 . 166 LYS CA C 54.95 . 1 773 . 166 LYS CB C 32.56 . 1 774 . 166 LYS N N 124.32 . 1 775 . 167 ILE H H 8.05 . 1 776 . 167 ILE C C 172.02 . 1 777 . 167 ILE CA C 59.77 . 1 778 . 167 ILE CB C 39.01 . 1 779 . 167 ILE N N 124.61 . 1 780 . 168 THR H H 7.89 . 1 781 . 168 THR C C 176.24 . 1 782 . 168 THR CA C 59.92 . 1 783 . 168 THR CB C 72.02 . 1 784 . 168 THR N N 114.40 . 1 785 . 169 ARG H H 8.91 . 1 786 . 169 ARG C C 178.76 . 1 787 . 169 ARG CA C 59.77 . 1 788 . 169 ARG CB C 29.58 . 1 789 . 169 ARG N N 120.63 . 1 790 . 170 GLN H H 8.64 . 1 791 . 170 GLN C C 178.42 . 1 792 . 170 GLN CA C 58.65 . 1 793 . 170 GLN CB C 27.85 . 1 794 . 170 GLN N N 118.79 . 1 795 . 171 GLU H H 7.74 . 1 796 . 171 GLU C C 179.59 . 1 797 . 171 GLU CA C 59.16 . 1 798 . 171 GLU CB C 29.69 . 1 799 . 171 GLU N N 120.58 . 1 800 . 172 ILE H H 7.98 . 1 801 . 172 ILE C C 177.70 . 1 802 . 172 ILE CA C 65.88 . 1 803 . 172 ILE CB C 37.06 . 1 804 . 172 ILE N N 118.49 . 1 805 . 173 GLY H H 8.24 . 1 806 . 173 GLY C C 176.34 . 1 807 . 173 GLY CA C 47.79 . 1 808 . 173 GLY N N 107.08 . 1 809 . 174 GLN H H 7.87 . 1 810 . 174 GLN C C 180.13 . 1 811 . 174 GLN CA C 58.11 . 1 812 . 174 GLN CB C 28.19 . 1 813 . 174 GLN N N 121.01 . 1 814 . 175 ILE H H 7.87 . 1 815 . 175 ILE C C 178.52 . 1 816 . 175 ILE CA C 64.89 . 1 817 . 175 ILE CB C 38.66 . 1 818 . 175 ILE N N 120.77 . 1 819 . 176 VAL H H 8.12 . 1 820 . 176 VAL C C 176.32 . 1 821 . 176 VAL CA C 62.12 . 1 822 . 176 VAL CB C 32.05 . 1 823 . 176 VAL N N 112.05 . 1 824 . 177 GLY H H 8.11 . 1 825 . 177 GLY C C 176.25 . 1 826 . 177 GLY CA C 46.46 . 1 827 . 177 GLY N N 111.77 . 1 828 . 178 CYS H H 8.43 . 1 829 . 178 CYS C C 172.46 . 1 830 . 178 CYS CA C 55.85 . 1 831 . 178 CYS CB C 31.84 . 1 832 . 178 CYS N N 116.87 . 1 833 . 179 SER H H 8.72 . 1 834 . 179 SER CA C 57.40 . 1 835 . 179 SER CB C 65.31 . 1 836 . 179 SER N N 116.21 . 1 837 . 182 THR C C 175.97 . 1 838 . 183 VAL H H 7.95 . 1 839 . 183 VAL C C 178.10 . 1 840 . 183 VAL CA C 66.80 . 1 841 . 183 VAL CB C 30.95 . 1 842 . 183 VAL N N 120.00 . 1 843 . 184 GLY H H 8.24 . 1 844 . 184 GLY C C 176.08 . 1 845 . 184 GLY CA C 47.35 . 1 846 . 184 GLY N N 105.04 . 1 847 . 185 ARG H H 7.85 . 1 848 . 185 ARG C C 179.29 . 1 849 . 185 ARG CA C 59.45 . 1 850 . 185 ARG CB C 30.07 . 1 851 . 185 ARG N N 122.37 . 1 852 . 186 ILE H H 8.10 . 1 853 . 186 ILE C C 178.00 . 1 854 . 186 ILE CA C 65.19 . 1 855 . 186 ILE CB C 37.19 . 1 856 . 186 ILE N N 121.64 . 1 857 . 187 LEU H H 9.12 . 1 858 . 187 LEU C C 179.53 . 1 859 . 187 LEU CA C 58.23 . 1 860 . 187 LEU CB C 39.88 . 1 861 . 187 LEU N N 119.54 . 1 862 . 188 LYS H H 7.72 . 1 863 . 188 LYS C C 178.05 . 1 864 . 188 LYS CA C 58.86 . 1 865 . 188 LYS CB C 31.31 . 1 866 . 188 LYS N N 119.21 . 1 867 . 189 MET H H 7.58 . 1 868 . 189 MET C C 178.70 . 1 869 . 189 MET CA C 59.18 . 1 870 . 189 MET CB C 32.29 . 1 871 . 189 MET N N 120.34 . 1 872 . 190 LEU H H 8.50 . 1 873 . 190 LEU C C 179.40 . 1 874 . 190 LEU CA C 57.68 . 1 875 . 190 LEU CB C 40.84 . 1 876 . 190 LEU N N 118.37 . 1 877 . 191 GLU H H 8.40 . 1 878 . 191 GLU C C 181.34 . 1 879 . 191 GLU CA C 58.84 . 1 880 . 191 GLU CB C 29.68 . 1 881 . 191 GLU N N 123.04 . 1 882 . 192 ASP H H 8.99 . 1 883 . 192 ASP C C 178.12 . 1 884 . 192 ASP CA C 57.09 . 1 885 . 192 ASP CB C 39.81 . 1 886 . 192 ASP N N 124.90 . 1 887 . 193 GLN H H 7.64 . 1 888 . 193 GLN C C 174.97 . 1 889 . 193 GLN CA C 55.42 . 1 890 . 193 GLN CB C 28.76 . 1 891 . 193 GLN N N 116.57 . 1 892 . 194 ASN H H 8.47 . 1 893 . 194 ASN C C 174.29 . 1 894 . 194 ASN CA C 54.42 . 1 895 . 194 ASN CB C 37.31 . 1 896 . 194 ASN N N 115.45 . 1 897 . 195 LEU H H 8.15 . 1 898 . 195 LEU C C 177.85 . 1 899 . 195 LEU CA C 55.81 . 1 900 . 195 LEU CB C 43.48 . 1 901 . 195 LEU N N 113.28 . 1 902 . 196 ILE H H 7.05 . 1 903 . 196 ILE C C 174.59 . 1 904 . 196 ILE CA C 57.67 . 1 905 . 196 ILE CB C 42.72 . 1 906 . 196 ILE N N 108.88 . 1 907 . 197 SER H H 8.27 . 1 908 . 197 SER C C 173.45 . 1 909 . 197 SER CA C 57.64 . 1 910 . 197 SER CB C 65.04 . 1 911 . 197 SER N N 113.18 . 1 912 . 198 ALA H H 9.08 . 1 913 . 198 ALA C C 175.80 . 1 914 . 198 ALA CA C 51.19 . 1 915 . 198 ALA CB C 20.31 . 1 916 . 198 ALA N N 131.08 . 1 917 . 199 HIS H H 8.36 . 1 918 . 199 HIS CA C 54.76 . 1 919 . 199 HIS CB C 29.87 . 1 920 . 199 HIS N N 121.64 . 1 921 . 201 LYS C C 175.09 . 1 922 . 201 LYS CA C 56.29 . 1 923 . 201 LYS CB C 32.52 . 1 924 . 202 THR H H 7.69 . 1 925 . 202 THR C C 173.81 . 1 926 . 202 THR CA C 60.45 . 1 927 . 202 THR CB C 71.39 . 1 928 . 202 THR N N 110.93 . 1 929 . 203 ILE H H 8.83 . 1 930 . 203 ILE C C 174.71 . 1 931 . 203 ILE CA C 60.08 . 1 932 . 203 ILE CB C 41.10 . 1 933 . 203 ILE N N 124.19 . 1 934 . 204 VAL H H 8.90 . 1 935 . 204 VAL C C 175.08 . 1 936 . 204 VAL CA C 60.98 . 1 937 . 204 VAL CB C 31.83 . 1 938 . 204 VAL N N 127.40 . 1 939 . 205 VAL H H 9.03 . 1 940 . 205 VAL C C 176.58 . 1 941 . 205 VAL CA C 61.08 . 1 942 . 205 VAL CB C 31.68 . 1 943 . 205 VAL N N 127.81 . 1 944 . 206 TYR H H 7.17 . 1 945 . 206 TYR C C 177.96 . 1 946 . 206 TYR CA C 56.77 . 1 947 . 206 TYR CB C 37.12 . 1 948 . 206 TYR N N 127.48 . 1 949 . 207 GLY H H 8.67 . 1 950 . 207 GLY C C 174.33 . 1 951 . 207 GLY CA C 46.01 . 1 952 . 207 GLY N N 109.01 . 1 953 . 208 THR H H 7.81 . 1 954 . 208 THR C C 173.17 . 1 955 . 208 THR CA C 61.37 . 1 956 . 208 THR CB C 69.90 . 1 957 . 208 THR N N 111.95 . 1 958 . 209 ARG H H 7.86 . 1 959 . 209 ARG CA C 57.26 . 1 960 . 209 ARG CB C 31.32 . 1 961 . 209 ARG N N 127.62 . 1 stop_ save_