data_5650 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the ribosomal protein L23 from Thermus Thermophilus ; _BMRB_accession_number 5650 _BMRB_flat_file_name bmr5650.str _Entry_type original _Submission_date 2002-12-22 _Accession_date 2002-12-23 _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 Anders Ahman . . 2 Rak Alexey . . 3 Dontsova Maria . . 4 Garber Maria B. . 5 Hard Torleif . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 589 "13C chemical shifts" 413 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-04-29 original author . stop_ _Original_release_date 2003-04-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the ribosomal protein L23 from Thermus Thermophilus' _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 Anders Ahman . . 2 Rak Alexey . . 3 Dontsova Maria . . 4 Garber Maria B. . 5 Hard Torleif . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 26 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 131 _Page_last 137 _Year 2003 _Details . loop_ _Keyword 'NMR spectroscopy' 'protein structure' L23 ribosome translation stop_ save_ ################################## # Molecular system description # ################################## save_system_L23_(L25) _Saveframe_category molecular_system _Mol_system_name L23 _Abbreviation_common 'L23 (L25)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label L23 $L23 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'A ribosomal protein.' 'A chaperone docking site on the ribosome.' 'Anchors the SRP to the ribosome.' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_L23 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common L23 _Abbreviation_common L23 _Molecular_mass 10737 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MKTAYDVILAPVLSEKAYAG FAEGKYTFWVHPKATKTEIK NAVETAFKVKVVKVNTLHVR GKKKRLGRYLGKRPDRKKAI VQVAPGQKIEALEGLI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 THR 4 ALA 5 TYR 6 ASP 7 VAL 8 ILE 9 LEU 10 ALA 11 PRO 12 VAL 13 LEU 14 SER 15 GLU 16 LYS 17 ALA 18 TYR 19 ALA 20 GLY 21 PHE 22 ALA 23 GLU 24 GLY 25 LYS 26 TYR 27 THR 28 PHE 29 TRP 30 VAL 31 HIS 32 PRO 33 LYS 34 ALA 35 THR 36 LYS 37 THR 38 GLU 39 ILE 40 LYS 41 ASN 42 ALA 43 VAL 44 GLU 45 THR 46 ALA 47 PHE 48 LYS 49 VAL 50 LYS 51 VAL 52 VAL 53 LYS 54 VAL 55 ASN 56 THR 57 LEU 58 HIS 59 VAL 60 ARG 61 GLY 62 LYS 63 LYS 64 LYS 65 ARG 66 LEU 67 GLY 68 ARG 69 TYR 70 LEU 71 GLY 72 LYS 73 ARG 74 PRO 75 ASP 76 ARG 77 LYS 78 LYS 79 ALA 80 ILE 81 VAL 82 GLN 83 VAL 84 ALA 85 PRO 86 GLY 87 GLN 88 LYS 89 ILE 90 GLU 91 ALA 92 LEU 93 GLU 94 GLY 95 LEU 96 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 PDB 1N88 "Nmr Structure Of The Ribosomal Protein L23 From Thermus Thermophilus." 100.00 96 100.00 100.00 1.33e-60 PDB 1VSA "Crystal Structure Of A 70s Ribosome-Trna Complex Reveals Functional Interactions And Rearrangements. This File, 1vsa, Contains " 100.00 96 100.00 100.00 1.33e-60 PDB 1VSP "Interactions And Dynamics Of The Shine-Dalgarno Helix In The 70s Ribosome. This File, 1vsp, Contains The 50s Ribosome Subunit. " 100.00 96 100.00 100.00 1.33e-60 PDB 1VVM "Crystal Structure Of Frameshift Suppressor Trna Sufa6 Bound To Codon Ccc-u On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VVO "Crystal Structure Of Frameshift Suppressor Trna Sufa6 Bound To Codon Ccc-u On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VVQ "Crystal Structure Of Frameshift Suppressor Trna Sufa6 Bound To Codon Ccc-a On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VVS "Crystal Structure Of Frameshift Suppressor Trna Sufa6 Bound To Codon Ccc-a On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VVU "Crystal Structure Of Frameshift Suppressor Trna Sufa6 Bound To Codon Ccg-g On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VVW "Crystal Structure Of Frameshift Suppressor Trna Sufa6 Bound To Codon Ccg-g On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VVY "Crystal Structure Of Frameshift Suppressor Trna Sufa6 Bound To Codon Ccc-u In The Absence Of Paromomycin" 100.00 96 100.00 100.00 1.33e-60 PDB 1VW0 "Crystal Structure Of Frameshift Suppressor Trna Sufa6 Bound To Codon Ccc-u In The Absence Of Paromomycin" 100.00 96 100.00 100.00 1.33e-60 PDB 1VX9 "Crystal Structure Of Trna Proline (cgg) Bound To Codon Ccc-u On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VXJ "Crystal Structure Of Trna Proline (cgg) Bound To Codon Ccc-u On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VXL "Crystal Structure Of Trna Proline (cgg) Bound To Codon Ccg-g On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VXN "Crystal Structure Of Trna Proline (cgg) Bound To Codon Ccg-g On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VXQ "Crystal Structure Of Trna Proline (cgg) Bound To Codon Ccc-g On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VXT "Crystal Structure Of Trna Proline (cgg) Bound To Codon Ccc-g On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VY1 "Crystal Structure Of Unmodified Trna Proline (cgg) Bound To Codon Ccg On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 1VY3 "Crystal Structure Of Unmodified Trna Proline (cgg) Bound To Codon Ccg On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 2HGJ "Crystal Structure Of The 70s Thermus Thermophilus Ribosome Showing How The 16s 3'-End Mimicks Mrna E And P Codons. This Entry 2" 100.00 96 100.00 100.00 1.33e-60 PDB 2HGQ "Crystal Structure Of The 70s Thermus Thermophilus Ribosome With Translocated And Rotated Shine-Dalgarno Duplex. This Entry 2hgq" 100.00 96 100.00 100.00 1.33e-60 PDB 2HGU "70s T.Th. Ribosome Functional Complex With Mrna And E- And P-Site Trnas At 4.5a. This Entry 2hgu Contains 50s Ribosomal Subunit" 100.00 96 100.00 100.00 1.33e-60 PDB 2J01 "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Mrna, Trna And Paromomycin (Part 2 Of 4). This File Contains " 100.00 96 100.00 100.00 1.33e-60 PDB 2J03 "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Mrna, Trna And Paromomycin (Part 4 Of 4). This File Contains " 100.00 96 100.00 100.00 1.33e-60 PDB 2V47 "Structure Of The Ribosome Recycling Factor Bound To The Thermus Thermophilus 70s Ribosome With Mrna, Asl-Phe And Trna-Fmet (Par" 100.00 96 100.00 100.00 1.33e-60 PDB 2V49 "Structure Of The Ribosome Recycling Factor Bound To The Thermus Thermophilus 70s Ribosome With Mrna, Asl-Phe And Trna-Fmet (Par" 100.00 96 100.00 100.00 1.33e-60 PDB 2WDI "Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Mrna, Paromomycin, Acylated A-Site Trna, Deacylated P-Site T" 100.00 96 100.00 100.00 1.33e-60 PDB 2WDJ "Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Mrna, Paromomycin, Acylated A-Site Trna, Deacylated P-Site T" 100.00 96 100.00 100.00 1.33e-60 PDB 2WDL "Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Mrna, Paromomycin, Acylated A- And P-Site Trnas, And E-Site " 100.00 96 100.00 100.00 1.33e-60 PDB 2WDN "Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Mrna, Paromomycin, Acylated A- And P-Site Trnas, And E-Site " 100.00 96 100.00 100.00 1.33e-60 PDB 2WH2 "Insights Into Translational Termination From The Structure Of Rf2 Bound To The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 2WH4 "Insights Into Translational Termination From The Structure Of Rf2 Bound To The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 2WRJ "The Structure Of The Ribosome With Elongation Factor G Trapped In The Post-Translocational State (Part 2 Of 4)." 100.00 96 100.00 100.00 1.33e-60 PDB 2WRL "The Structure Of The Ribosome With Elongation Factor G Trapped In The Post-Translocational State. (Part 4 Of 4)." 100.00 96 100.00 100.00 1.33e-60 PDB 2WRO "The Crystal Structure Of The 70s Ribosome Bound To Ef-Tu And Trna (Part 2 Of 4)." 100.00 96 100.00 100.00 1.33e-60 PDB 2WRR "The Crystal Structure Of The 70s Ribosome Bound To Ef-Tu And Trna (Part 4 Of 4)." 100.00 96 100.00 100.00 1.33e-60 PDB 2X9S "Structure Of The 70s Ribosome Bound To Release Factor 2 And A Substrate Analog Provides Insights Into Catalysis Of Peptide Rele" 100.00 96 100.00 100.00 1.33e-60 PDB 2X9U "Structure Of The 70s Ribosome Bound To Release Factor 2 And A Substrate Analog Provides Insights Into Catalysis Of Peptide Rele" 100.00 96 100.00 100.00 1.33e-60 PDB 2XG0 "Structure Of Cytotoxic Domain Of Colicin E3 Bound To The 70s Ribosome (part 2 Of 4)" 100.00 96 100.00 100.00 1.33e-60 PDB 2XG2 "Structure Of Cytotoxic Domain Of Colicin E3 Bound To The 70s Ribosome (part 4 Of 4)" 100.00 96 100.00 100.00 1.33e-60 PDB 2XQE "The Structure Of Ef-Tu And Aminoacyl-Trna Bound To The 70s Ribosome With A Gtp Analog" 100.00 96 100.00 100.00 1.33e-60 PDB 2XTG "Trna Tranlocation On The 70s Ribosome: The Pre- Translocational Translocation Intermediate Ti(Pre)" 100.00 96 100.00 100.00 1.33e-60 PDB 2XUX "Trna Translocation On The 70s Ribosome: The Post- Translocational Translocation Intermediate Ti(Post)" 100.00 96 100.00 100.00 1.33e-60 PDB 2Y0V "The Crystal Structure Of Ef-Tu And A9c-Trna-Trp Bound To A Near-Cognate Codon On The 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 2Y0X "The Crystal Structure Of Ef-Tu And A9c-Trna-Trp Bound To A Near-Cognate Codon On The 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 2Y0Z "The Crystal Structure Of Ef-Tu And G24a-Trna-Trp Bound To A Near-Cognate Codon On The 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 2Y11 "The Crystal Structure Of Ef-Tu And Trp-Trna-Trp Bound To A Cognate Codon On The 70s Ribosome." 100.00 96 100.00 100.00 1.33e-60 PDB 2Y13 "The Crystal Structure Of Ef-Tu And G24a-Trna-Trp Bound To A Near-Cognate Codon On The 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 2Y15 "The Crystal Structure Of Ef-Tu And G24a-Trna-Trp Bound To A Cognate Codon On The 70s Ribosome." 100.00 96 100.00 100.00 1.33e-60 PDB 2Y17 "Ef-Tu Complex 3" 100.00 96 100.00 100.00 1.33e-60 PDB 2Y19 "The Crystal Structure Of Ef-Tu And Trp-Trna-Trp Bound To A Cognate Codon On The 70s Ribosome." 100.00 96 100.00 100.00 1.33e-60 PDB 3D5B "Structural Basis For Translation Termination On The 70s Ribosome. This File Contains The 50s Subunit Of One 70s Ribosome. The E" 100.00 96 100.00 100.00 1.33e-60 PDB 3D5D "Structural Basis For Translation Termination On The 70s Ribosome. This File Contains The 50s Subunit Of The Second 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 3F1F "Crystal Structure Of A Translation Termination Complex Formed With Release Factor Rf2. This File Contains The 50s Subunit Of On" 100.00 96 100.00 100.00 1.33e-60 PDB 3F1H "Crystal Structure Of A Translation Termination Complex Formed With Release Factor Rf2. This File Contains The 50s Subunit Of Th" 100.00 96 100.00 100.00 1.33e-60 PDB 3FIN "T. Thermophilus 70s Ribosome In Complex With Mrna, Trnas And Ef- Tu.Gdp.Kirromycin Ternary Complex, Fitted To A 6.4 A Cryo-Em M" 96.88 93 100.00 100.00 3.03e-58 PDB 3HUX "Structure Of Ef-P Bound To The 70s Ribosome; This File Contains The 50s Subunit For Molecule I." 100.00 96 100.00 100.00 1.33e-60 PDB 3HUZ "Structure Of Ef-p Bound To The 70s Ribosome; This File Contains The 50s Subunit For Molecule Ii." 100.00 96 100.00 100.00 1.33e-60 PDB 3I8F "Elongation Complex Of The 70s Ribosome With Three Trnas And Entry 3i8f Contains 50s Ribosomal Subunit. The 30s Ribosoma Can Be " 100.00 96 100.00 100.00 1.33e-60 PDB 3I8I "Elongation Complex Of The 70s Ribosome With Three Trnas And Entry 3i8i Contains 50s Ribosomal Subnit. The 30s Ribosomal Can Be " 100.00 96 100.00 100.00 1.33e-60 PDB 3I9C "Initiation Complex Of 70s Ribosome With Two Trnas And Mrna. 3i9c Contains 50s Ribosomal Subunit Of Molecule B. The 30s Subunit " 100.00 96 100.00 100.00 1.33e-60 PDB 3I9E "Initiation Complex Of 70s Ribosome With Two Trnas And Mrna. 3i9e Contains 50s Ribosomal Subunit Of Molecule A. The 30s Subunit " 100.00 96 100.00 100.00 1.33e-60 PDB 3KIR "Structure Of Rele Nuclease Bound To The 70s Ribosome (Precleavage State; Part 2 Of 4)" 100.00 96 100.00 100.00 1.33e-60 PDB 3KIT "Structure Of Rele Nuclease Bound To The 70s Ribosome (Precleavage State; Part 4 Of 4)" 100.00 96 100.00 100.00 1.33e-60 PDB 3KIW "Structure Of Rele Nuclease Bound To The 70s Ribosome (Postcleavage State; Part 2 Of 4)" 100.00 96 100.00 100.00 1.33e-60 PDB 3KIY "Structure Of Rele Nuclease Bound To The 70s Ribosome (Postcleavage State; Part 4 Of 4)" 100.00 96 100.00 100.00 1.33e-60 PDB 3KNI "The Structures Of Viomycin Bound To The 70s Ribosome. This File Contains The 50s Subunit For Molecule I" 100.00 96 100.00 100.00 1.33e-60 PDB 3KNK "The Structures Of Viomycin Bound To The 70s Ribosome. This File Contains The 50s Subunit For Molecule Ii." 100.00 96 100.00 100.00 1.33e-60 PDB 3KNM "The Structures Of Capreomycin Bound To The 70s Ribosome. This File Contains The 50s Subunit For Molecule I." 100.00 96 100.00 100.00 1.33e-60 PDB 3KNO "The Structures Of Capreomycin Bound To The 70s Ribosome. This File Contains The 50s Subunit For Molecule Ii" 100.00 96 100.00 100.00 1.33e-60 PDB 3MRZ "Recognition Of The Amber Stop Codon By Release Factor Rf1. This Entry 3mrz Contains 50s Ribosomal Subunit. The 30s Ribosomal Su" 100.00 96 100.00 100.00 1.33e-60 PDB 3MS1 "Recognition Of The Amber Stop Codon By Release Factor Rf1. This Entry 3ms1 Contains 50s Ribosomal Subunit. The 30s Ribosomal Su" 100.00 96 100.00 100.00 1.33e-60 PDB 3OH5 "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Chloramphenicol. This File Contains The 50s Subunit Of One 70" 100.00 96 100.00 100.00 1.33e-60 PDB 3OH7 "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Chloramphenicol. This File Contains The 50s Subunit Of One 70" 100.00 96 100.00 100.00 1.33e-60 PDB 3OHJ "Structure Of The Thermus Thermophilus Ribosome Complexed With Erythromycin. This File Contains The 50s Subunit Of One 70s Ribos" 100.00 96 100.00 100.00 1.33e-60 PDB 3OHK "Structure Of The Thermus Thermophilus Ribosome Complexed With Erythromycin. This File Contains The 50s Subunit Of One 70s Ribos" 100.00 96 100.00 100.00 1.33e-60 PDB 3OHZ "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Azithromycin. This File Contains The 50s Subunit Of One 70s R" 100.00 96 100.00 100.00 1.33e-60 PDB 3OI1 "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Azithromycin. This File Contains The 50s Subunit Of One 70s R" 100.00 96 100.00 100.00 1.33e-60 PDB 3OI3 "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Telithromycin. This File Contains The 50s Subunit Of One 70s " 100.00 96 100.00 100.00 1.33e-60 PDB 3OI5 "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Telithromycin. This File Contains The 50s Subunit Of One 70s " 100.00 96 100.00 100.00 1.33e-60 PDB 3PYO "Crystal Structure Of A Complex Containing Domain 3 From The Psiv Igr Ires Rna Bound To The 70s Ribosome. This File Contains The" 95.83 92 100.00 100.00 1.43e-57 PDB 3PYR "Crystal Structure Of A Complex Containing Domain 3 From The Psiv Igr Ires Rna Bound To The 70s Ribosome. This File Contains The" 95.83 92 100.00 100.00 1.43e-57 PDB 3PYT "Crystal Structure Of A Complex Containing Domain 3 Of Crpv Igr Ires Rna Bound To The 70s Ribosome. This File Contains The 50s S" 95.83 92 100.00 100.00 1.43e-57 PDB 3PYV "Crystal Structure Of A Complex Containing Domain 3 Of Crpv Igr Ires Rna Bound To The 70s Ribosome. This File Contains The 50s S" 95.83 92 100.00 100.00 1.43e-57 PDB 3TVE "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The First 70s Molecule In Th" 95.83 92 100.00 100.00 1.43e-57 PDB 3TVH "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The Second 70s Molecule In T" 95.83 92 100.00 100.00 1.43e-57 PDB 3UXQ "The Structure Of Thermorubin In Complex With The 70s Ribosome From Thermus Thermophilus. This File Contains The 50s Subunit Of " 100.00 96 100.00 100.00 1.33e-60 PDB 3UXR "The Structure Of Thermorubin In Complex With The 70s Ribosome From Thermus Thermophilus. This File Contains The 50s Subunit Of " 100.00 96 100.00 100.00 1.33e-60 PDB 3UYE "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The First 70s Molecule In Th" 100.00 96 100.00 100.00 1.33e-60 PDB 3UYG "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The First 70s Molecule In Th" 100.00 96 100.00 100.00 1.33e-60 PDB 3UZ1 "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The First 70s Molecule In Th" 100.00 96 100.00 100.00 1.33e-60 PDB 3UZ2 "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The Second 70s Molecule In T" 100.00 96 100.00 100.00 1.33e-60 PDB 3UZ8 "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The Second 70s Molecule In T" 100.00 96 100.00 100.00 1.33e-60 PDB 3UZ9 "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The First 70s Molecule In Th" 100.00 96 100.00 100.00 1.33e-60 PDB 3UZF "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The First 70s Molecule In Th" 100.00 96 100.00 100.00 1.33e-60 PDB 3UZH "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The Second 70s Molecule In T" 100.00 96 100.00 100.00 1.33e-60 PDB 3UZK "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The First 70s Molecule In Th" 100.00 96 100.00 100.00 1.33e-60 PDB 3UZN "Crystal Structure Analysis Of Ribosomal Decoding. This Entry Contains The 50s Ribosomal Subunit Of The Second 70s Molecule In T" 100.00 96 100.00 100.00 1.33e-60 PDB 3V23 "Crystal Structure Of Rmf Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 50s Subunit Of The 1st Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 3V25 "Crystal Structure Of Rmf Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 50s Subunit Of The 2nd Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 3V27 "Crystal Structure Of Hpf Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 50s Subunit Of The 1st Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 3V29 "Crystal Structure Of Hpf Bound To The 70s Ribosome. This Entry Contains The 50s Subunit Of The 2nd Molecule In The Asu." 100.00 96 100.00 100.00 1.33e-60 PDB 3V2D "Crystal Structure Of Yfia Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 50s Subunit Of The 1st Ribosom" 100.00 96 100.00 100.00 1.33e-60 PDB 3V2F "Crystal Structure Of Yfia Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 50s Subunit Of The 2nd Ribosom" 100.00 96 100.00 100.00 1.33e-60 PDB 3V6W "Crystal Structure Of The Bacterial Ribosome Ram Mutation G347u. This Entry Contains The 50s Ribosomal Subunit Of The First 70s " 100.00 96 100.00 100.00 1.33e-60 PDB 3V6X "Crystal Structure Of The Bacterial Ribosome Ram Mutation G347u. This Entry Contains The 50s Ribosomal Subunit Of The Second 70s" 100.00 96 100.00 100.00 1.33e-60 PDB 3ZN9 "The Crystal Structure Of Agmatidine Trna-ile2 Bound To The 70s Ribosome In The A And P Site." 100.00 96 100.00 100.00 1.33e-60 PDB 3ZNE "The Crystal Structure Of Agmatidine Trna-ile2 Bound To The 70s Ribosome In The A And P Site." 100.00 96 100.00 100.00 1.33e-60 PDB 3ZVP "Crystal Structure Of The Hybrid State Of Ribosome In Complex With The Guanosine Triphosphatase Release Factor 3" 100.00 96 100.00 100.00 1.33e-60 PDB 4ABS "Complex Of Smpb, A Tmrna Fragment And Ef-Tu-Gdp-Kirromycin With The 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4B8G "Crystal Structure Of 70s Ribosome With Both Cognate Trnas In The E And P Sites Representing An Authentic Elongation Complex." 100.00 96 100.00 100.00 1.33e-60 PDB 4B8I "Crystal Structure Of 70s Ribosome With Both Cognate Trnas In The E And P Sites Representing An Authentic Elongation Complex." 100.00 96 100.00 100.00 1.33e-60 PDB 4BTD "Thermus Thermophilus Ribosome" 98.96 95 100.00 100.00 1.66e-59 PDB 4BYC "Structure Of Thermus Thermophilus 50s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4BYE "Structure Of Thermus Thermophilus 50s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4DHA "Crystal Structure Of Yaej Bound To The 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4DHC "Crystal Structure Of Yaej Bound To The 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4EJB "Crystal Structure Of The Bacterial Ribosome Ram Mutation G299a.this Entry Contains The 50s Ribosomal Subunit Of The First 70s M" 100.00 96 100.00 100.00 1.33e-60 PDB 4EJC "Crystal Structure Of The Bacterial Ribosome Ram Mutation G299a. This Entry Contains The 50s Ribosomal Subunit Of The Second 70s" 100.00 96 100.00 100.00 1.33e-60 PDB 4G5L "Crystal Structure Of The 70s Ribosome With Tetracycline. This Entry Contains The 50s Subunit Of Molecule A." 100.00 96 100.00 100.00 1.33e-60 PDB 4G5N "Crystal Structure Of The 70s Ribosome With Tetracycline. This Entry Contains The 50s Subunit Of Molecule B." 100.00 96 100.00 100.00 1.33e-60 PDB 4G5U "Crystal Structure Of The 70s Ribosome With Tigecycline. This Entry Contains The 50s Subunit Of Molecule A." 100.00 96 100.00 100.00 1.33e-60 PDB 4G5W "Crystal Structure Of The 70s Ribosome With Tigecycline. This Entry Contains The 50s Subunit Of Molecule B." 100.00 96 100.00 100.00 1.33e-60 PDB 4JUX "Crystal Structure Of The Ribosome Bound To Elongation Factor G In The Guanosine Triphosphatase State (this File Contains The 50" 100.00 96 100.00 100.00 1.33e-60 PDB 4K0M "Crystal Structure Of Thermus Thermophilus 70s Containing Trnas And Mrna Stop Codon With Pseudouridine" 95.83 92 100.00 100.00 1.43e-57 PDB 4K0Q "Crystal Structure Of Thermus Thermophilus 70s Containing Trnas And Mrna Stop Codon With Pseudouridine" 95.83 92 100.00 100.00 1.43e-57 PDB 4KBU "70s Ribosome Translocation Intermediate Gdpnp-ii Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e Stat" 96.88 93 100.00 100.00 3.03e-58 PDB 4KBW "70s Ribosome Translocation Intermediate Gdpnp-ii Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e Stat" 96.88 93 100.00 100.00 3.03e-58 PDB 4KCZ "70s Ribosome Translocation Intermediate Gdpnp-i Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e State" 96.88 93 100.00 100.00 3.03e-58 PDB 4KD2 "70s Ribosome Translocation Intermediate Gdpnp-i Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e State" 96.88 93 100.00 100.00 3.03e-58 PDB 4KD9 "70s Ribosome Translocation Intermediate Fa-3.6a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " 96.88 93 100.00 100.00 3.03e-58 PDB 4KDB "70s Ribosome Translocation Intermediate Fa-3.6a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " 96.88 93 100.00 100.00 3.03e-58 PDB 4KDH "70s Ribosome Translocation Intermediate Fa-4.2a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " 96.88 93 100.00 100.00 3.03e-58 PDB 4KDK "70s Ribosome Translocation Intermediate Fa-4.2a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " 96.88 93 100.00 100.00 3.03e-58 PDB 4KFI "Crystal Structure Of The 70s Ribosome Bound With The Q253p Mutant Of Release Factor Rf2. 50s Of The A Subunit" 95.83 92 100.00 100.00 1.43e-57 PDB 4KFL "Crystal Structure Of The 70s Ribosome Bound With The Q253p Mutant Of Release Factor Rf2. 50s Of The B Subunit" 95.83 92 100.00 100.00 1.43e-57 PDB 4KX0 "Crystal Structure Of Frameshift Suppressor Trna Sufa6 Bound To Codon Ccc-g On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4KX2 "Crystal Structure Of Frameshift Suppressor Trna Sufa6 Bound To Codon Ccc-g On The Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4L6J "Crystal Structure Of Blasticidin S Bound To Thermus Thermophilus 70s Ribosome. This File Contains The 50s Subunit And Blasticid" 95.83 92 100.00 100.00 1.43e-57 PDB 4L6L "Crystal Structure Of Blasticidin S Bound To Thermus Thermophilus 70s Ribosome. This File Contains The 50s Subunit And Blasticid" 95.83 92 100.00 100.00 1.43e-57 PDB 4NVV "Crystal Structure Of Antibiotic Dityromycin Bound To 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4NVX "Crystal Structure Of Antibiotic Dityromycin Bound To 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4NVZ "Crystal Structure Of Antibiotic Ge82832 Bound To 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4NW1 "Crystal Structure Of Antibiotic Ge82832 Bound To 70s Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4QCN "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In The Pre- Attack State Of Peptide Bond Formation Containing Acylat" 100.00 96 100.00 100.00 1.33e-60 PDB 4QCP "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In The Pre- Attack State Of Peptide Bond Formation Containing Acylat" 100.00 96 100.00 100.00 1.33e-60 PDB 4QCR "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In The Post-catalysis State Of Peptide Bond Formation Containing Dip" 100.00 96 100.00 100.00 1.33e-60 PDB 4QCT "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In The Post-catalysis State Of Peptide Bond Formation Containing Dip" 100.00 96 100.00 100.00 1.33e-60 PDB 4QCV "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In The Pre- Attack State Of Peptide Bond Formation Containing Short " 100.00 96 100.00 100.00 1.33e-60 PDB 4QCX "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In The Pre- Attack State Of Peptide Bond Formation Containing Short " 100.00 96 100.00 100.00 1.33e-60 PDB 4QCZ "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In The Pre- Attack State Of Peptide Bond Formation Containing Short " 100.00 96 100.00 100.00 1.33e-60 PDB 4QD1 "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In The Pre- Attack State Of Peptide Bond Formation Containing Short " 100.00 96 100.00 100.00 1.33e-60 PDB 4QJS "Crystal Structure Of Elongation Factor 4 (ef4/lepa) Bound To The Thermus Thermophilus 70s Ribosome, 50s Subunit Of The 70s Ribo" 100.00 96 100.00 100.00 1.33e-60 PDB 4RB6 "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Amicoumacin, Mrna And Three Deacylated Trnas In The " 100.00 96 100.00 100.00 1.33e-60 PDB 4RB8 "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Amicoumacin, Mrna And Three Deacylated Trnas In The " 100.00 96 100.00 100.00 1.33e-60 PDB 4RBA "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Pactamycin (soaked), Mrna And Three Deacylated Trnas" 100.00 96 100.00 100.00 1.33e-60 PDB 4RBC "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Pactamycin (soaked), Mrna And Three Deacylated Trnas" 100.00 96 100.00 100.00 1.33e-60 PDB 4RBE "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Pactamycin (co-crystallized), Mrna And Deacylated Tr" 100.00 96 100.00 100.00 1.33e-60 PDB 4RBG "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Pactamycin (co-crystallized), Mrna And Deacylated Tr" 100.00 96 100.00 100.00 1.33e-60 PDB 4RBI "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Negamycin, Mrna And Three Deacylated Trnas In The A," 100.00 96 100.00 100.00 1.33e-60 PDB 4RBK "Crystal Structure Of The Thermus Thermophilus 70s Ribosome In Complex With Negamycin, Mrna And Three Deacylated Trnas In The A," 100.00 96 100.00 100.00 1.33e-60 PDB 4W2B "Crystal Structure Of The Peptolide 12c Bound To Bacterial Ribosome" 100.00 96 100.00 100.00 1.33e-60 PDB 4W2D "Crystal Structure Of The Peptolide 12c Bound To Bacterial Ribosome" 100.00 96 100.00 100.00 1.33e-60 DBJ BAD71513 "50S ribosomal protein L23 [Thermus thermophilus HB8]" 100.00 96 100.00 100.00 1.33e-60 GB AAD55971 "ribosomal protein L23 [Thermus thermophilus]" 100.00 96 100.00 100.00 1.33e-60 GB AAS81668 "LSU ribosomal protein L23P [Thermus thermophilus HB27]" 100.00 96 100.00 100.00 1.33e-60 GB AEG34103 "Ribosomal protein L25/L23 [Thermus thermophilus SG0.5JP17-16]" 100.00 96 100.00 100.00 1.33e-60 GB AFH38264 "ribosomal protein L23 [Thermus thermophilus JL-18]" 100.00 96 100.00 100.00 1.33e-60 GB EIA38549 "50S ribosomal protein L23 [Thermus sp. RL]" 100.00 96 100.00 100.00 1.33e-60 REF WP_008633421 "MULTISPECIES: 50S ribosomal protein L23 [Thermus]" 100.00 96 100.00 100.00 1.33e-60 REF YP_005295 "50S ribosomal protein L23 [Thermus thermophilus HB27]" 100.00 96 100.00 100.00 1.33e-60 REF YP_005641230 "50S ribosomal protein L25 [Thermus thermophilus SG0.5JP17-16]" 100.00 96 100.00 100.00 1.33e-60 REF YP_006058050 "50S ribosomal protein L23 [Thermus thermophilus JL-18]" 100.00 96 100.00 100.00 1.33e-60 REF YP_144956 "50S ribosomal protein L23 [Thermus thermophilus HB8]" 100.00 96 100.00 100.00 1.33e-60 SP Q5SHP0 "RecName: Full=50S ribosomal protein L23 [Thermus thermophilus HB8]" 100.00 96 100.00 100.00 1.33e-60 SP Q72I06 "RecName: Full=50S ribosomal protein L23 [Thermus thermophilus HB27]" 100.00 96 100.00 100.00 1.33e-60 SP Q9RA57 "RecName: Full=50S ribosomal protein L23; Short=L*23 [Thermus thermophilus]" 100.00 96 100.00 100.00 1.33e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $L23 'Thermus thermophilus' 274 Eubacteria . Thermus thermophilus 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 $L23 'recombinant technology' 'E. coli' Echerichia coli . plasmid pET11c 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 $L23 0.8 mM '[U-13C; U-15N]' stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L23 0.8 mM [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Task 'data collection' processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details . save_ save_Ansig_for_Windows _Saveframe_category software _Name 'Ansig for Windows' _Version 1.02 loop_ _Task 'data analysis' assignment stop_ _Details . save_ save_Talos _Saveframe_category software _Name Talos _Version 1999.019.15.47 loop_ _Task 'data analysis' stop_ _Details . save_ save_Aqua _Saveframe_category software _Name Aqua _Version 3.2 loop_ _Task 'data analysis' stop_ _Details . save_ save_XPLOR _Saveframe_category software _Name XPLOR _Version 3.851 loop_ _Task 'structure calculation' 'structure analysis' stop_ _Details . save_ save_MOLMOL _Saveframe_category software _Name MOLMOL _Version 2K.1 loop_ _Task 'data and structure analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HSQC' _Sample_label . save_ save_3D_15N-DIPSI-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-DIPSI-HSQC' _Sample_label . save_ save_3D_15N-NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY-HSQC' _Sample_label . save_ save_3D_CBCANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label . save_ save_HC(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _Sample_label . save_ save_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_3D_13C-edited_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY' _Sample_label . save_ save_2D_DQF-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label . save_ save_clean-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name clean-TOCSY _Sample_label . save_ save_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-DIPSI-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name clean-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.1 0.1 na temperature 308 0.5 K 'ionic strength' 0.65 0.01 M 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088 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_CSS_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 15N-HSQC' '3D 15N-DIPSI-HSQC' '3D 15N-NOESY-HSQC' '3D CBCANH' CBCA(CO)NH HNCO HNCA HN(CO)CA '3D C(CO)NH' HC(CO)NH HCCH-COSY HCCH-TOCSY '3D 13C-edited NOESY' '2D DQF-COSY' clean-TOCSY NOESY stop_ _Sample_conditions_label $Condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name L23 _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 MET CA C 53.028 0.050 1 2 . 1 MET HA H 4.185 0.005 1 3 . 1 MET C C 180.016 0.050 1 4 . 1 MET CB C 30.926 0.050 1 5 . 1 MET CG C 28.711 0.050 1 6 . 1 MET HB2 H 2.193 0.005 1 7 . 1 MET HB3 H 2.193 0.005 1 8 . 1 MET HG2 H 2.596 0.005 1 9 . 1 MET HG3 H 2.596 0.005 1 10 . 2 LYS N N 124.455 0.050 1 11 . 2 LYS H H 8.819 0.005 1 12 . 2 LYS CA C 54.400 0.050 1 13 . 2 LYS HA H 4.520 0.005 1 14 . 2 LYS C C 175.902 0.050 1 15 . 2 LYS CB C 31.295 0.050 1 16 . 2 LYS HB2 H 1.767 0.005 2 17 . 2 LYS HB3 H 1.845 0.005 2 18 . 2 LYS CG C 22.737 0.050 1 19 . 2 LYS HG2 H 1.435 0.005 2 20 . 2 LYS HG3 H 1.505 0.005 2 21 . 2 LYS CD C 27.053 0.050 1 22 . 2 LYS CE C 39.883 0.050 1 23 . 2 LYS HD3 H 1.638 0.005 1 24 . 2 LYS HE3 H 2.937 0.005 1 25 . 2 LYS HD2 H 1.638 0.005 1 26 . 2 LYS HE2 H 2.937 0.005 1 27 . 3 THR N N 114.534 0.050 1 28 . 3 THR H H 8.467 0.005 1 29 . 3 THR CA C 58.848 0.050 1 30 . 3 THR HA H 4.447 0.005 1 31 . 3 THR C C 177.297 0.050 1 32 . 3 THR CB C 68.692 0.050 1 33 . 3 THR HB H 4.244 0.005 1 34 . 3 THR CG2 C 19.485 0.050 1 35 . 3 THR HG2 H 1.191 0.005 1 36 . 4 ALA N N 123.963 0.050 1 37 . 4 ALA H H 8.449 0.005 1 38 . 4 ALA CA C 51.700 0.050 1 39 . 4 ALA HA H 4.133 0.005 1 40 . 4 ALA C C 174.508 0.050 1 41 . 4 ALA CB C 16.851 0.050 1 42 . 4 ALA HB H 1.229 0.005 1 43 . 5 TYR N N 115.624 0.050 1 44 . 5 TYR H H 7.470 0.005 1 45 . 5 TYR CA C 55.163 0.050 1 46 . 5 TYR HA H 4.700 0.005 1 47 . 5 TYR C C 176.978 0.050 1 48 . 5 TYR CB C 35.993 0.050 1 49 . 5 TYR HB2 H 2.656 0.005 2 50 . 5 TYR HB3 H 3.059 0.005 2 51 . 5 TYR HD1 H 6.892 0.005 1 52 . 5 TYR HE1 H 6.585 0.005 1 53 . 5 TYR HD2 H 6.892 0.005 1 54 . 5 TYR HE2 H 6.585 0.005 1 55 . 6 ASP N N 118.532 0.050 1 56 . 6 ASP H H 7.919 0.005 1 57 . 6 ASP CA C 52.732 0.050 1 58 . 6 ASP HA H 4.660 0.005 1 59 . 6 ASP C C 176.566 0.050 1 60 . 6 ASP CB C 39.027 0.050 1 61 . 6 ASP HB2 H 2.713 0.005 1 62 . 6 ASP HB3 H 2.713 0.005 1 63 . 7 VAL N N 117.686 0.050 1 64 . 7 VAL H H 7.652 0.005 1 65 . 7 VAL CA C 63.165 0.050 1 66 . 7 VAL HA H 3.873 0.005 1 67 . 7 VAL C C 176.866 0.050 1 68 . 7 VAL CB C 31.308 0.050 1 69 . 7 VAL HB H 1.913 0.005 1 70 . 7 VAL CG1 C 19.855 0.050 2 71 . 7 VAL HG1 H 0.817 0.005 2 72 . 7 VAL CG2 C 20.022 0.050 2 73 . 7 VAL HG2 H 0.914 0.005 2 74 . 8 ILE N N 116.966 0.050 1 75 . 8 ILE H H 8.189 0.005 1 76 . 8 ILE CA C 58.460 0.050 1 77 . 8 ILE HA H 4.111 0.005 1 78 . 8 ILE C C 177.389 0.050 1 79 . 8 ILE CB C 35.297 0.050 1 80 . 8 ILE HB H 1.897 0.005 1 81 . 8 ILE CG1 C 24.630 0.050 1 82 . 8 ILE HG12 H 0.820 0.005 2 83 . 8 ILE HG13 H 1.354 0.005 2 84 . 8 ILE CG2 C 16.190 0.050 1 85 . 8 ILE HG2 H 0.732 0.005 1 86 . 8 ILE CD1 C 10.262 0.050 1 87 . 8 ILE HD1 H 0.375 0.005 1 88 . 9 LEU N N 126.055 0.050 1 89 . 9 LEU H H 8.842 0.005 1 90 . 9 LEU CA C 54.353 0.050 1 91 . 9 LEU HA H 4.580 0.005 1 92 . 9 LEU CB C 40.134 0.050 1 93 . 9 LEU HB2 H 1.594 0.005 2 94 . 9 LEU HB3 H 1.713 0.005 2 95 . 9 LEU CG C 25.585 0.050 1 96 . 9 LEU HG H 1.651 0.005 1 97 . 9 LEU CD1 C 20.609 0.050 1 98 . 9 LEU HD1 H 0.899 0.005 1 99 . 9 LEU CD2 C 20.609 0.050 1 100 . 9 LEU HD2 H 0.899 0.005 1 101 . 10 ALA H H 7.837 0.005 1 102 . 10 ALA CA C 49.346 0.050 1 103 . 10 ALA HA H 5.087 0.005 1 104 . 10 ALA CB C 19.121 0.050 1 105 . 10 ALA HB H 1.786 0.005 1 106 . 11 PRO CA C 60.529 0.050 1 107 . 11 PRO HA H 4.840 0.005 1 108 . 11 PRO C C 177.438 0.050 1 109 . 11 PRO CB C 29.966 0.050 1 110 . 11 PRO HB2 H 1.877 0.005 2 111 . 11 PRO HB3 H 2.181 0.005 2 112 . 11 PRO CG C 25.417 0.050 1 113 . 11 PRO HG2 H 2.252 0.005 2 114 . 11 PRO HG3 H 2.437 0.005 2 115 . 11 PRO CD C 48.503 0.050 1 116 . 11 PRO HD2 H 4.021 0.005 2 117 . 11 PRO HD3 H 4.287 0.005 2 118 . 12 VAL N N 121.817 0.050 1 119 . 12 VAL H H 7.731 0.005 1 120 . 12 VAL CA C 60.558 0.050 1 121 . 12 VAL HA H 3.979 0.005 1 122 . 12 VAL C C 177.564 0.050 1 123 . 12 VAL CB C 29.032 0.050 1 124 . 12 VAL HB H 1.411 0.005 1 125 . 12 VAL CG1 C 18.363 0.050 2 126 . 12 VAL HG1 H -0.078 0.005 2 127 . 12 VAL CG2 C 19.016 0.050 2 128 . 12 VAL HG2 H 0.755 0.005 2 129 . 13 LEU N N 127.792 0.050 1 130 . 13 LEU H H 8.465 0.005 1 131 . 13 LEU CA C 51.106 0.050 1 132 . 13 LEU HA H 4.681 0.005 1 133 . 13 LEU C C 176.690 0.050 1 134 . 13 LEU CB C 38.542 0.050 1 135 . 13 LEU HB2 H 1.696 0.005 2 136 . 13 LEU HB3 H 1.851 0.005 2 137 . 13 LEU CG C 24.623 0.050 1 138 . 13 LEU HG H 1.709 0.005 1 139 . 13 LEU CD1 C 21.197 0.050 2 140 . 13 LEU HD1 H 1.000 0.005 2 141 . 13 LEU CD2 C 23.955 0.050 2 142 . 13 LEU HD2 H 1.085 0.005 2 143 . 14 SER N N 115.050 0.050 1 144 . 14 SER H H 6.870 0.005 1 145 . 14 SER CA C 54.092 0.050 1 146 . 14 SER HA H 4.596 0.005 1 147 . 14 SER C C 178.668 0.050 1 148 . 14 SER CB C 63.436 0.050 1 149 . 14 SER HB2 H 3.869 0.005 2 150 . 14 SER HB3 H 4.211 0.005 2 151 . 15 GLU N N 121.318 0.050 1 152 . 15 GLU H H 8.941 0.005 1 153 . 15 GLU CA C 57.544 0.050 1 154 . 15 GLU HA H 3.898 0.005 1 155 . 15 GLU C C 173.629 0.050 1 156 . 15 GLU CB C 26.846 0.050 1 157 . 15 GLU CG C 33.796 0.050 1 158 . 15 GLU HG2 H 2.345 0.005 2 159 . 15 GLU HG3 H 2.406 0.005 2 160 . 15 GLU HB2 H 2.067 0.005 1 161 . 15 GLU HB3 H 2.067 0.005 1 162 . 16 LYS N N 118.370 0.050 1 163 . 16 LYS H H 8.163 0.005 1 164 . 16 LYS CA C 56.420 0.050 1 165 . 16 LYS HA H 4.015 0.005 1 166 . 16 LYS C C 173.617 0.050 1 167 . 16 LYS CB C 30.012 0.050 1 168 . 16 LYS HB2 H 1.687 0.005 2 169 . 16 LYS HB3 H 1.737 0.005 2 170 . 16 LYS CG C 22.894 0.050 1 171 . 16 LYS HG2 H 1.361 0.005 2 172 . 16 LYS HG3 H 1.453 0.005 2 173 . 16 LYS CD C 26.741 0.050 1 174 . 16 LYS CE C 39.966 0.050 1 175 . 16 LYS HD3 H 1.703 0.005 1 176 . 16 LYS HE3 H 2.988 0.005 1 177 . 16 LYS HD2 H 1.703 0.005 1 178 . 16 LYS HE2 H 2.988 0.005 1 179 . 17 ALA N N 122.035 0.050 1 180 . 17 ALA H H 7.661 0.005 1 181 . 17 ALA CA C 52.308 0.050 1 182 . 17 ALA HA H 3.974 0.005 1 183 . 17 ALA C C 171.839 0.050 1 184 . 17 ALA CB C 16.286 0.050 1 185 . 17 ALA HB H 1.288 0.005 1 186 . 18 TYR N N 118.066 0.050 1 187 . 18 TYR H H 8.160 0.005 1 188 . 18 TYR CA C 56.303 0.050 1 189 . 18 TYR HA H 3.101 0.005 1 190 . 18 TYR C C 174.108 0.050 1 191 . 18 TYR CB C 35.203 0.050 1 192 . 18 TYR HB2 H 2.841 0.005 1 193 . 18 TYR HD1 H 6.829 0.005 1 194 . 18 TYR HE1 H 7.215 0.005 1 195 . 18 TYR HB3 H 2.841 0.005 1 196 . 18 TYR HD2 H 6.829 0.005 1 197 . 18 TYR HE2 H 7.215 0.005 1 198 . 19 ALA N N 120.965 0.050 1 199 . 19 ALA H H 7.519 0.005 1 200 . 19 ALA CA C 52.215 0.050 1 201 . 19 ALA HA H 4.049 0.005 1 202 . 19 ALA C C 172.756 0.050 1 203 . 19 ALA CB C 15.881 0.050 1 204 . 19 ALA HB H 1.435 0.005 1 205 . 20 GLY N N 103.206 0.050 1 206 . 20 GLY H H 7.512 0.005 1 207 . 20 GLY CA C 44.268 0.050 1 208 . 20 GLY HA2 H 3.742 0.005 1 209 . 20 GLY HA3 H 4.023 0.005 1 210 . 20 GLY C C 175.974 0.050 1 211 . 21 PHE N N 122.045 0.050 1 212 . 21 PHE H H 7.791 0.005 1 213 . 21 PHE CA C 56.067 0.050 1 214 . 21 PHE HA H 3.855 0.005 1 215 . 21 PHE C C 172.786 0.050 1 216 . 21 PHE CB C 34.161 0.050 1 217 . 21 PHE HB2 H 3.166 0.005 2 218 . 21 PHE HB3 H 3.299 0.005 2 219 . 21 PHE HD1 H 7.109 0.005 1 220 . 21 PHE HE1 H 7.406 0.005 1 221 . 21 PHE HD2 H 7.109 0.005 1 222 . 21 PHE HE2 H 7.406 0.005 1 223 . 22 ALA N N 120.496 0.050 1 224 . 22 ALA H H 7.846 0.005 1 225 . 22 ALA CA C 52.306 0.050 1 226 . 22 ALA HA H 4.209 0.005 1 227 . 22 ALA C C 173.606 0.050 1 228 . 22 ALA CB C 16.446 0.050 1 229 . 22 ALA HB H 1.510 0.005 1 230 . 23 GLU N N 114.703 0.050 1 231 . 23 GLU H H 7.616 0.005 1 232 . 23 GLU CA C 52.715 0.050 1 233 . 23 GLU HA H 4.563 0.005 1 234 . 23 GLU C C 175.922 0.050 1 235 . 23 GLU CB C 28.259 0.050 1 236 . 23 GLU HB2 H 2.004 0.005 2 237 . 23 GLU HB3 H 2.323 0.005 2 238 . 23 GLU CG C 33.670 0.050 1 239 . 23 GLU HG2 H 2.290 0.005 2 240 . 23 GLU HG3 H 2.338 0.005 2 241 . 24 GLY N N 109.307 0.050 1 242 . 24 GLY H H 8.108 0.005 1 243 . 24 GLY CA C 44.447 0.050 1 244 . 24 GLY HA2 H 3.824 0.005 1 245 . 24 GLY HA3 H 4.252 0.005 1 246 . 24 GLY C C 179.788 0.050 1 247 . 25 LYS N N 117.804 0.050 1 248 . 25 LYS H H 7.464 0.005 1 249 . 25 LYS CA C 52.638 0.050 1 250 . 25 LYS HA H 5.077 0.005 1 251 . 25 LYS C C 177.011 0.050 1 252 . 25 LYS CB C 32.042 0.050 1 253 . 25 LYS HB2 H 1.322 0.005 2 254 . 25 LYS HB3 H 1.503 0.005 2 255 . 25 LYS CG C 23.324 0.050 1 256 . 25 LYS HG2 H 1.008 0.005 2 257 . 25 LYS HG3 H 1.274 0.005 2 258 . 25 LYS CD C 27.698 0.050 1 259 . 25 LYS HD2 H 1.538 0.005 2 260 . 25 LYS HD3 H 1.586 0.005 2 261 . 25 LYS CE C 40.132 0.050 1 262 . 25 LYS HE3 H 2.888 0.005 1 263 . 25 LYS HE2 H 2.888 0.005 1 264 . 26 TYR N N 122.352 0.050 1 265 . 26 TYR H H 9.072 0.005 1 266 . 26 TYR CA C 55.419 0.050 1 267 . 26 TYR HA H 4.527 0.005 1 268 . 26 TYR C C 178.084 0.050 1 269 . 26 TYR CB C 39.712 0.050 1 270 . 26 TYR HB2 H 2.464 0.005 1 271 . 26 TYR HD1 H 6.605 0.005 1 272 . 26 TYR HE1 H 6.219 0.005 1 273 . 26 TYR HB3 H 2.464 0.005 1 274 . 26 TYR HD2 H 6.605 0.005 1 275 . 26 TYR HE2 H 6.219 0.005 1 276 . 27 THR N N 118.730 0.050 1 277 . 27 THR H H 7.824 0.005 1 278 . 27 THR CA C 59.912 0.050 1 279 . 27 THR HA H 5.356 0.005 1 280 . 27 THR C C 178.470 0.050 1 281 . 27 THR CB C 67.505 0.050 1 282 . 27 THR HB H 3.790 0.005 1 283 . 27 THR CG2 C 18.682 0.050 1 284 . 27 THR HG2 H 0.907 0.005 1 285 . 28 PHE N N 123.604 0.050 1 286 . 28 PHE H H 9.461 0.005 1 287 . 28 PHE CA C 54.905 0.050 1 288 . 28 PHE HA H 5.155 0.005 1 289 . 28 PHE C C 176.826 0.050 1 290 . 28 PHE CB C 41.759 0.050 1 291 . 28 PHE HB2 H 2.432 0.005 2 292 . 28 PHE HB3 H 3.195 0.005 2 293 . 28 PHE HD1 H 6.998 0.005 1 294 . 28 PHE HE1 H 7.018 0.005 1 295 . 28 PHE HD2 H 6.998 0.005 1 296 . 28 PHE HE2 H 7.018 0.005 1 297 . 29 TRP N N 122.190 0.050 1 298 . 29 TRP H H 9.534 0.005 1 299 . 29 TRP CA C 54.751 0.050 1 300 . 29 TRP HA H 5.540 0.005 1 301 . 29 TRP C C 175.184 0.050 1 302 . 29 TRP CB C 29.165 0.050 1 303 . 29 TRP HD1 H 7.018 0.005 2 304 . 29 TRP NE1 N 129.383 0.050 1 305 . 29 TRP HE1 H 10.507 0.005 1 306 . 29 TRP HE3 H 7.712 0.005 1 307 . 29 TRP HZ2 H 7.581 0.005 1 308 . 29 TRP HZ3 H 6.828 0.005 1 309 . 29 TRP HH2 H 7.227 0.005 1 310 . 29 TRP HB2 H 3.372 0.005 1 311 . 29 TRP HB3 H 3.372 0.005 1 312 . 30 VAL N N 115.651 0.050 1 313 . 30 VAL H H 9.286 0.005 1 314 . 30 VAL CA C 56.046 0.050 1 315 . 30 VAL HA H 5.580 0.005 1 316 . 30 VAL C C 177.730 0.050 1 317 . 30 VAL CB C 33.807 0.050 1 318 . 30 VAL HB H 2.339 0.005 1 319 . 30 VAL CG1 C 16.426 0.050 2 320 . 30 VAL HG1 H 0.732 0.005 2 321 . 30 VAL CG2 C 20.636 0.050 2 322 . 30 VAL HG2 H 0.907 0.005 2 323 . 31 HIS N N 122.679 0.050 1 324 . 31 HIS H H 8.702 0.005 1 325 . 31 HIS CA C 54.622 0.050 1 326 . 31 HIS HA H 4.433 0.005 1 327 . 31 HIS CB C 29.231 0.050 1 328 . 31 HIS HB2 H 3.046 0.005 2 329 . 31 HIS HB3 H 3.495 0.005 2 330 . 31 HIS HD2 H 7.276 0.005 2 331 . 32 PRO CA C 63.462 0.050 1 332 . 32 PRO HA H 4.144 0.005 1 333 . 32 PRO C C 173.910 0.050 1 334 . 32 PRO CB C 30.358 0.050 1 335 . 32 PRO HB2 H 1.979 0.005 2 336 . 32 PRO HB3 H 2.269 0.005 2 337 . 32 PRO CG C 25.854 0.050 1 338 . 32 PRO HG2 H 1.847 0.005 2 339 . 32 PRO HG3 H 1.934 0.005 2 340 . 32 PRO CD C 48.528 0.050 1 341 . 32 PRO HD2 H 2.746 0.005 2 342 . 32 PRO HD3 H 3.750 0.005 2 343 . 33 LYS N N 118.566 0.050 1 344 . 33 LYS H H 10.290 0.005 1 345 . 33 LYS CA C 53.327 0.050 1 346 . 33 LYS HA H 4.508 0.005 1 347 . 33 LYS C C 174.646 0.050 1 348 . 33 LYS CB C 30.091 0.050 1 349 . 33 LYS HB2 H 1.799 0.005 2 350 . 33 LYS HB3 H 2.078 0.005 2 351 . 33 LYS CG C 23.294 0.050 1 352 . 33 LYS HG2 H 1.518 0.005 2 353 . 33 LYS HG3 H 1.639 0.005 2 354 . 33 LYS CD C 26.700 0.050 1 355 . 33 LYS CE C 40.008 0.050 1 356 . 33 LYS HZ H 7.736 0.005 1 357 . 33 LYS HD3 H 1.756 0.005 1 358 . 33 LYS HE3 H 3.078 0.005 1 359 . 33 LYS HD2 H 1.756 0.005 1 360 . 33 LYS HE2 H 3.078 0.005 1 361 . 34 ALA N N 122.791 0.050 1 362 . 34 ALA H H 8.050 0.005 1 363 . 34 ALA CA C 50.495 0.050 1 364 . 34 ALA HA H 4.624 0.005 1 365 . 34 ALA C C 173.993 0.050 1 366 . 34 ALA CB C 17.967 0.050 1 367 . 34 ALA HB H 1.523 0.005 1 368 . 35 THR N N 114.382 0.050 1 369 . 35 THR H H 8.745 0.005 1 370 . 35 THR CA C 57.785 0.050 1 371 . 35 THR HA H 4.689 0.005 1 372 . 35 THR C C 176.245 0.050 1 373 . 35 THR CB C 69.224 0.050 1 374 . 35 THR HB H 4.882 0.005 1 375 . 35 THR CG2 C 19.570 0.050 1 376 . 35 THR HG2 H 1.416 0.005 1 377 . 36 LYS N N 119.663 0.050 1 378 . 36 LYS H H 9.190 0.005 1 379 . 36 LYS CA C 59.627 0.050 1 380 . 36 LYS HA H 3.823 0.005 1 381 . 36 LYS C C 173.102 0.050 1 382 . 36 LYS CB C 30.008 0.050 1 383 . 36 LYS HB2 H 1.813 0.005 2 384 . 36 LYS HB3 H 2.026 0.005 2 385 . 36 LYS CG C 24.782 0.050 1 386 . 36 LYS HG2 H 1.244 0.005 2 387 . 36 LYS HG3 H 1.859 0.005 2 388 . 36 LYS CD C 27.477 0.050 1 389 . 36 LYS HD2 H 1.862 0.005 2 390 . 36 LYS HD3 H 1.955 0.005 2 391 . 36 LYS CE C 40.216 0.050 1 392 . 36 LYS HE3 H 3.209 0.005 1 393 . 36 LYS HE2 H 3.209 0.005 1 394 . 37 THR N N 114.693 0.050 1 395 . 37 THR H H 8.202 0.005 1 396 . 37 THR CA C 64.590 0.050 1 397 . 37 THR HA H 3.895 0.005 1 398 . 37 THR C C 176.285 0.050 1 399 . 37 THR CB C 66.441 0.050 1 400 . 37 THR HB H 4.079 0.005 1 401 . 37 THR CG2 C 19.933 0.050 1 402 . 37 THR HG2 H 1.269 0.005 1 403 . 38 GLU N N 121.755 0.050 1 404 . 38 GLU H H 7.698 0.005 1 405 . 38 GLU CA C 57.209 0.050 1 406 . 38 GLU HA H 4.021 0.005 1 407 . 38 GLU C C 172.180 0.050 1 408 . 38 GLU CB C 27.650 0.050 1 409 . 38 GLU HB2 H 1.939 0.005 2 410 . 38 GLU HB3 H 2.455 0.005 2 411 . 38 GLU CG C 35.151 0.050 1 412 . 38 GLU HG2 H 2.330 0.005 2 413 . 38 GLU HG3 H 2.439 0.005 2 414 . 39 ILE N N 120.388 0.050 1 415 . 39 ILE H H 8.492 0.005 1 416 . 39 ILE CA C 63.654 0.050 1 417 . 39 ILE HA H 3.421 0.005 1 418 . 39 ILE C C 175.826 0.050 1 419 . 39 ILE CB C 36.267 0.050 1 420 . 39 ILE HB H 1.813 0.005 1 421 . 39 ILE CG1 C 27.256 0.050 1 422 . 39 ILE HG12 H 0.538 0.005 2 423 . 39 ILE HG13 H 1.880 0.005 2 424 . 39 ILE CG2 C 15.338 0.050 1 425 . 39 ILE HG2 H 0.625 0.005 1 426 . 39 ILE CD1 C 12.967 0.050 1 427 . 39 ILE HD1 H 0.655 0.005 1 428 . 40 LYS N N 119.454 0.050 1 429 . 40 LYS H H 8.254 0.005 1 430 . 40 LYS CA C 58.575 0.050 1 431 . 40 LYS HA H 3.588 0.005 1 432 . 40 LYS C C 174.862 0.050 1 433 . 40 LYS CB C 30.575 0.050 1 434 . 40 LYS HB2 H 1.830 0.005 2 435 . 40 LYS HB3 H 2.079 0.005 2 436 . 40 LYS CG C 22.289 0.050 1 437 . 40 LYS CD C 27.801 0.050 1 438 . 40 LYS CE C 40.060 0.050 1 439 . 40 LYS HG2 H 1.254 0.005 1 440 . 40 LYS HD3 H 1.670 0.005 1 441 . 40 LYS HE3 H 3.091 0.005 1 442 . 40 LYS HG3 H 1.254 0.005 1 443 . 40 LYS HD2 H 1.670 0.005 1 444 . 40 LYS HE2 H 3.091 0.005 1 445 . 41 ASN N N 114.978 0.050 1 446 . 41 ASN H H 8.288 0.005 1 447 . 41 ASN CA C 54.088 0.050 1 448 . 41 ASN HA H 4.485 0.005 1 449 . 41 ASN C C 174.312 0.050 1 450 . 41 ASN CB C 36.238 0.050 1 451 . 41 ASN ND2 N 111.424 0.050 1 452 . 41 ASN HD21 H 6.922 0.005 1 453 . 41 ASN HD22 H 7.633 0.005 1 454 . 41 ASN HB2 H 2.828 0.005 1 455 . 41 ASN HB3 H 2.828 0.005 1 456 . 42 ALA N N 123.106 0.050 1 457 . 42 ALA H H 8.356 0.005 1 458 . 42 ALA CA C 53.152 0.050 1 459 . 42 ALA HA H 4.081 0.005 1 460 . 42 ALA C C 172.871 0.050 1 461 . 42 ALA CB C 16.660 0.050 1 462 . 42 ALA HB H 1.489 0.005 1 463 . 43 VAL N N 117.721 0.050 1 464 . 43 VAL H H 8.165 0.005 1 465 . 43 VAL CA C 64.300 0.050 1 466 . 43 VAL HA H 3.494 0.005 1 467 . 43 VAL C C 174.466 0.050 1 468 . 43 VAL CB C 29.560 0.050 1 469 . 43 VAL HB H 2.037 0.005 1 470 . 43 VAL CG1 C 21.370 0.050 2 471 . 43 VAL HG1 H 0.692 0.005 2 472 . 43 VAL CG2 C 19.520 0.050 2 473 . 43 VAL HG2 H 0.788 0.005 2 474 . 44 GLU N N 117.889 0.050 1 475 . 44 GLU H H 8.401 0.005 1 476 . 44 GLU CA C 58.714 0.050 1 477 . 44 GLU HA H 4.197 0.005 1 478 . 44 GLU C C 171.754 0.050 1 479 . 44 GLU CB C 27.262 0.050 1 480 . 44 GLU HB2 H 2.090 0.005 2 481 . 44 GLU HB3 H 2.206 0.005 2 482 . 44 GLU CG C 35.379 0.050 1 483 . 44 GLU HG2 H 2.804 0.005 2 484 . 44 GLU HG3 H 2.872 0.005 2 485 . 45 THR N N 112.743 0.050 1 486 . 45 THR H H 8.131 0.005 1 487 . 45 THR CA C 63.639 0.050 1 488 . 45 THR HA H 3.993 0.005 1 489 . 45 THR C C 176.578 0.050 1 490 . 45 THR CB C 66.955 0.050 1 491 . 45 THR HB H 4.121 0.005 1 492 . 45 THR CG2 C 19.100 0.050 1 493 . 45 THR HG2 H 1.231 0.005 1 494 . 46 ALA N N 121.222 0.050 1 495 . 46 ALA H H 7.943 0.005 1 496 . 46 ALA CA C 52.507 0.050 1 497 . 46 ALA HA H 3.799 0.005 1 498 . 46 ALA C C 172.820 0.050 1 499 . 46 ALA CB C 15.927 0.050 1 500 . 46 ALA HB H 0.541 0.005 1 501 . 47 PHE N N 110.562 0.050 1 502 . 47 PHE H H 7.922 0.005 1 503 . 47 PHE CA C 54.905 0.050 1 504 . 47 PHE HA H 4.901 0.005 1 505 . 47 PHE C C 177.412 0.050 1 506 . 47 PHE CB C 37.971 0.050 1 507 . 47 PHE HB2 H 2.740 0.005 2 508 . 47 PHE HB3 H 3.381 0.005 2 509 . 47 PHE HD1 H 7.329 0.005 1 510 . 47 PHE HE1 H 7.078 0.005 1 511 . 47 PHE HD2 H 7.329 0.005 1 512 . 47 PHE HE2 H 7.078 0.005 1 513 . 48 LYS N N 116.500 0.050 1 514 . 48 LYS H H 7.743 0.005 1 515 . 48 LYS CA C 55.128 0.050 1 516 . 48 LYS HA H 4.154 0.005 1 517 . 48 LYS C C 176.879 0.050 1 518 . 48 LYS CB C 26.186 0.050 1 519 . 48 LYS HB2 H 1.970 0.005 2 520 . 48 LYS HB3 H 2.132 0.005 2 521 . 48 LYS CG C 22.891 0.050 1 522 . 48 LYS CD C 26.862 0.050 1 523 . 48 LYS CE C 40.432 0.050 1 524 . 48 LYS HG2 H 1.390 0.005 1 525 . 48 LYS HD3 H 1.735 0.005 1 526 . 48 LYS HE3 H 3.103 0.005 1 527 . 48 LYS HG3 H 1.390 0.005 1 528 . 48 LYS HD2 H 1.735 0.005 1 529 . 48 LYS HE2 H 3.103 0.005 1 530 . 49 VAL N N 108.589 0.050 1 531 . 49 VAL H H 6.880 0.005 1 532 . 49 VAL CA C 56.086 0.050 1 533 . 49 VAL HA H 4.705 0.005 1 534 . 49 VAL C C 177.965 0.050 1 535 . 49 VAL CB C 33.301 0.050 1 536 . 49 VAL HB H 2.143 0.005 1 537 . 49 VAL CG1 C 16.366 0.050 2 538 . 49 VAL HG1 H 0.571 0.005 2 539 . 49 VAL CG2 C 19.980 0.050 2 540 . 49 VAL HG2 H 0.819 0.005 2 541 . 50 LYS N N 122.045 0.050 1 542 . 50 LYS H H 9.044 0.005 1 543 . 50 LYS CA C 52.654 0.050 1 544 . 50 LYS HA H 4.628 0.005 1 545 . 50 LYS C C 176.627 0.050 1 546 . 50 LYS CB C 31.293 0.050 1 547 . 50 LYS HB2 H 1.743 0.005 2 548 . 50 LYS HB3 H 1.781 0.005 2 549 . 50 LYS CG C 22.654 0.050 1 550 . 50 LYS HG2 H 1.268 0.005 2 551 . 50 LYS HG3 H 1.444 0.005 2 552 . 50 LYS CD C 26.706 0.050 1 553 . 50 LYS CE C 40.012 0.050 1 554 . 50 LYS HD3 H 1.682 0.005 1 555 . 50 LYS HE3 H 2.988 0.005 1 556 . 50 LYS HD2 H 1.682 0.005 1 557 . 50 LYS HE2 H 2.988 0.005 1 558 . 51 VAL N N 126.431 0.050 1 559 . 51 VAL H H 9.828 0.005 1 560 . 51 VAL CA C 60.165 0.050 1 561 . 51 VAL HA H 4.280 0.005 1 562 . 51 VAL C C 176.193 0.050 1 563 . 51 VAL CB C 30.829 0.050 1 564 . 51 VAL HB H 2.082 0.005 1 565 . 51 VAL CG1 C 20.706 0.050 2 566 . 51 VAL HG1 H 0.881 0.005 2 567 . 51 VAL CG2 C 21.215 0.050 2 568 . 51 VAL HG2 H 0.962 0.005 2 569 . 52 VAL N N 120.634 0.050 1 570 . 52 VAL H H 8.989 0.005 1 571 . 52 VAL CA C 59.767 0.050 1 572 . 52 VAL HA H 4.442 0.005 1 573 . 52 VAL C C 176.177 0.050 1 574 . 52 VAL CB C 30.741 0.050 1 575 . 52 VAL HB H 2.148 0.005 1 576 . 52 VAL CG1 C 16.988 0.050 2 577 . 52 VAL HG1 H 0.792 0.005 2 578 . 52 VAL CG2 C 19.108 0.050 2 579 . 52 VAL HG2 H 0.931 0.005 2 580 . 53 LYS N N 120.016 0.050 1 581 . 53 LYS H H 7.591 0.005 1 582 . 53 LYS CA C 54.555 0.050 1 583 . 53 LYS HA H 4.623 0.005 1 584 . 53 LYS C C 178.419 0.050 1 585 . 53 LYS CB C 34.460 0.050 1 586 . 53 LYS CG C 22.878 0.050 1 587 . 53 LYS CD C 27.072 0.050 1 588 . 53 LYS CE C 39.940 0.050 1 589 . 53 LYS HB2 H 1.847 0.005 1 590 . 53 LYS HG2 H 1.447 0.005 1 591 . 53 LYS HD3 H 1.735 0.005 1 592 . 53 LYS HE3 H 3.050 0.005 1 593 . 53 LYS HB3 H 1.847 0.005 1 594 . 53 LYS HG3 H 1.447 0.005 1 595 . 53 LYS HD2 H 1.735 0.005 1 596 . 53 LYS HE2 H 3.050 0.005 1 597 . 54 VAL N N 122.708 0.050 1 598 . 54 VAL H H 8.527 0.005 1 599 . 54 VAL CA C 59.444 0.050 1 600 . 54 VAL HA H 4.724 0.005 1 601 . 54 VAL C C 178.363 0.050 1 602 . 54 VAL CB C 33.230 0.050 1 603 . 54 VAL HB H 1.943 0.005 1 604 . 54 VAL CG1 C 19.798 0.050 2 605 . 54 VAL HG1 H 0.907 0.005 2 606 . 54 VAL CG2 C 19.615 0.050 2 607 . 54 VAL HG2 H 0.959 0.005 2 608 . 55 ASN N N 124.136 0.050 1 609 . 55 ASN H H 8.877 0.005 1 610 . 55 ASN CA C 50.131 0.050 1 611 . 55 ASN HA H 5.264 0.005 1 612 . 55 ASN C C 177.583 0.050 1 613 . 55 ASN CB C 40.001 0.050 1 614 . 55 ASN HB2 H 2.615 0.005 2 615 . 55 ASN HB3 H 2.865 0.005 2 616 . 55 ASN ND2 N 111.437 0.050 1 617 . 55 ASN HD21 H 6.938 0.005 1 618 . 55 ASN HD22 H 7.572 0.005 1 619 . 56 THR N N 112.778 0.050 1 620 . 56 THR H H 8.781 0.005 1 621 . 56 THR CA C 57.694 0.050 1 622 . 56 THR HA H 5.276 0.005 1 623 . 56 THR C C 178.558 0.050 1 624 . 56 THR CB C 68.993 0.050 1 625 . 56 THR HB H 4.079 0.005 1 626 . 56 THR CG2 C 20.199 0.050 1 627 . 56 THR HG2 H 1.045 0.005 1 628 . 57 LEU N N 121.451 0.050 1 629 . 57 LEU H H 8.729 0.005 1 630 . 57 LEU CA C 52.385 0.050 1 631 . 57 LEU HA H 4.727 0.005 1 632 . 57 LEU C C 176.290 0.050 1 633 . 57 LEU CB C 42.372 0.050 1 634 . 57 LEU HB2 H 1.530 0.005 2 635 . 57 LEU HB3 H 1.668 0.005 2 636 . 57 LEU CG C 24.984 0.050 1 637 . 57 LEU HG H 1.550 0.005 1 638 . 57 LEU CD1 C 22.868 0.050 1 639 . 57 LEU HD1 H 0.873 0.005 1 640 . 57 LEU CD2 C 22.868 0.050 1 641 . 57 LEU HD2 H 0.873 0.005 1 642 . 58 HIS N N 121.464 0.050 1 643 . 58 HIS H H 8.990 0.005 1 644 . 58 HIS CA C 53.572 0.050 1 645 . 58 HIS HA H 4.996 0.005 1 646 . 58 HIS C C 177.649 0.050 1 647 . 58 HIS CB C 27.220 0.050 1 648 . 58 HIS HB2 H 3.266 0.005 2 649 . 58 HIS HB3 H 3.343 0.005 2 650 . 58 HIS HD2 H 6.274 0.005 1 651 . 59 VAL N N 123.265 0.050 1 652 . 59 VAL H H 8.582 0.005 1 653 . 59 VAL CA C 59.746 0.050 1 654 . 59 VAL HA H 4.335 0.005 1 655 . 59 VAL C C 176.840 0.050 1 656 . 59 VAL CB C 31.507 0.050 1 657 . 59 VAL HB H 2.142 0.005 1 658 . 59 VAL CG1 C 18.777 0.050 2 659 . 59 VAL HG1 H 1.063 0.005 2 660 . 59 VAL CG2 C 19.320 0.050 2 661 . 59 VAL HG2 H 1.099 0.005 2 662 . 60 ARG N N 126.064 0.050 1 663 . 60 ARG H H 8.699 0.005 1 664 . 60 ARG CA C 53.976 0.050 1 665 . 60 ARG HA H 4.528 0.005 1 666 . 60 ARG C C 175.217 0.050 1 667 . 60 ARG CB C 28.895 0.050 1 668 . 60 ARG HB2 H 1.886 0.005 2 669 . 60 ARG HB3 H 1.935 0.005 2 670 . 60 ARG CG C 25.053 0.050 1 671 . 60 ARG CD C 41.333 0.050 1 672 . 60 ARG NE N 116.745 0.050 1 673 . 60 ARG HE H 7.390 0.005 1 674 . 60 ARG HG2 H 1.760 0.005 1 675 . 60 ARG HD2 H 3.262 0.005 1 676 . 60 ARG HG3 H 1.760 0.005 1 677 . 60 ARG HD3 H 3.262 0.005 1 678 . 61 GLY N N 110.199 0.050 1 679 . 61 GLY H H 8.669 0.005 1 680 . 61 GLY CA C 43.112 0.050 1 681 . 61 GLY HA2 H 3.908 0.005 1 682 . 61 GLY HA3 H 4.083 0.005 1 683 . 61 GLY C C 178.407 0.050 1 684 . 62 LYS N N 120.829 0.050 1 685 . 62 LYS H H 8.393 0.005 1 686 . 62 LYS CA C 54.241 0.050 1 687 . 62 LYS C C 175.427 0.050 1 688 . 62 LYS CB C 31.118 0.050 1 689 . 62 LYS CG C 22.675 0.050 1 690 . 62 LYS CD C 26.868 0.050 1 691 . 63 LYS N N 121.324 0.050 1 692 . 63 LYS H H 8.406 0.005 1 693 . 63 LYS CA C 54.306 0.050 1 694 . 63 LYS HA H 4.359 0.005 1 695 . 63 LYS C C 175.651 0.050 1 696 . 63 LYS CB C 30.975 0.050 1 697 . 63 LYS CG C 22.858 0.050 1 698 . 63 LYS CD C 27.011 0.050 1 699 . 63 LYS CE C 39.988 0.050 1 700 . 63 LYS HG2 H 1.466 0.005 1 701 . 63 LYS HE3 H 3.036 0.005 1 702 . 63 LYS HG3 H 1.466 0.005 1 703 . 63 LYS HE2 H 3.036 0.005 1 704 . 64 LYS N N 122.002 0.050 1 705 . 64 LYS H H 8.315 0.005 1 706 . 64 LYS CA C 54.519 0.050 1 707 . 64 LYS HA H 4.313 0.005 1 708 . 64 LYS C C 175.874 0.050 1 709 . 64 LYS CB C 31.001 0.050 1 710 . 64 LYS CG C 22.665 0.050 1 711 . 64 LYS CD C 26.941 0.050 1 712 . 64 LYS CE C 39.982 0.050 1 713 . 64 LYS HB2 H 1.837 0.005 1 714 . 64 LYS HB3 H 1.837 0.005 1 715 . 65 ARG N N 121.785 0.050 1 716 . 65 ARG H H 8.400 0.005 1 717 . 65 ARG CA C 54.068 0.050 1 718 . 65 ARG HA H 4.391 0.005 1 719 . 65 ARG C C 176.226 0.050 1 720 . 65 ARG CB C 28.772 0.050 1 721 . 65 ARG HB2 H 1.806 0.005 2 722 . 65 ARG HB3 H 1.889 0.005 2 723 . 65 ARG CG C 25.045 0.050 1 724 . 65 ARG HG2 H 1.621 0.005 2 725 . 65 ARG HG3 H 1.661 0.005 2 726 . 65 ARG CD C 41.265 0.050 1 727 . 65 ARG NE N 116.496 0.050 1 728 . 65 ARG HE H 7.412 0.005 1 729 . 65 ARG HD2 H 3.198 0.005 1 730 . 65 ARG HD3 H 3.198 0.005 1 731 . 66 LEU N N 122.812 0.050 1 732 . 66 LEU H H 8.377 0.005 1 733 . 66 LEU CA C 53.112 0.050 1 734 . 66 LEU HA H 4.398 0.005 1 735 . 66 LEU C C 174.698 0.050 1 736 . 66 LEU CB C 40.250 0.050 1 737 . 66 LEU HB2 H 1.641 0.005 2 738 . 66 LEU HB3 H 1.710 0.005 2 739 . 66 LEU CG C 24.832 0.050 1 740 . 66 LEU HG H 1.641 0.005 1 741 . 66 LEU CD1 C 21.480 0.050 2 742 . 66 LEU HD1 H 0.909 0.005 2 743 . 66 LEU CD2 C 22.928 0.050 2 744 . 66 LEU HD2 H 0.944 0.005 2 745 . 67 GLY N N 108.985 0.050 1 746 . 67 GLY H H 8.385 0.005 1 747 . 67 GLY CA C 43.482 0.050 1 748 . 67 GLY HA2 H 3.893 0.005 1 749 . 67 GLY HA3 H 4.036 0.005 1 750 . 67 GLY C C 177.941 0.050 1 751 . 68 ARG N N 120.571 0.050 1 752 . 68 ARG H H 8.244 0.005 1 753 . 68 ARG CA C 54.327 0.050 1 754 . 68 ARG HA H 4.289 0.005 1 755 . 68 ARG C C 176.180 0.050 1 756 . 68 ARG CB C 28.627 0.050 1 757 . 68 ARG CG C 24.763 0.050 1 758 . 68 ARG CD C 41.259 0.050 1 759 . 68 ARG NE N 116.552 0.050 1 760 . 68 ARG HE H 7.248 0.005 1 761 . 68 ARG HB2 H 1.706 0.005 1 762 . 68 ARG HG2 H 1.487 0.005 1 763 . 68 ARG HD2 H 3.158 0.005 1 764 . 68 ARG HB3 H 1.706 0.005 1 765 . 68 ARG HG3 H 1.487 0.005 1 766 . 68 ARG HD3 H 3.158 0.005 1 767 . 69 TYR N N 120.039 0.050 1 768 . 69 TYR H H 8.224 0.005 1 769 . 69 TYR CA C 55.728 0.050 1 770 . 69 TYR HA H 4.644 0.005 1 771 . 69 TYR C C 176.679 0.050 1 772 . 69 TYR CB C 36.487 0.050 1 773 . 69 TYR HB2 H 2.977 0.005 2 774 . 69 TYR HB3 H 3.115 0.005 2 775 . 69 TYR HD1 H 7.158 0.005 1 776 . 69 TYR HE1 H 6.855 0.005 1 777 . 69 TYR HD2 H 7.158 0.005 1 778 . 69 TYR HE2 H 6.855 0.005 1 779 . 70 LEU N N 123.571 0.050 1 780 . 70 LEU H H 8.186 0.005 1 781 . 70 LEU CA C 53.005 0.050 1 782 . 70 LEU HA H 4.362 0.005 1 783 . 70 LEU C C 174.936 0.050 1 784 . 70 LEU CB C 40.259 0.050 1 785 . 70 LEU HB2 H 1.603 0.005 2 786 . 70 LEU HB3 H 1.633 0.005 2 787 . 70 LEU CG C 24.720 0.050 1 788 . 70 LEU HG H 1.574 0.005 1 789 . 70 LEU CD1 C 21.410 0.050 2 790 . 70 LEU HD1 H 0.869 0.005 2 791 . 70 LEU CD2 C 22.913 0.050 2 792 . 70 LEU HD2 H 0.921 0.005 2 793 . 71 GLY N N 108.580 0.050 1 794 . 71 GLY H H 7.925 0.005 1 795 . 71 GLY CA C 42.945 0.050 1 796 . 71 GLY C C 178.689 0.050 1 797 . 71 GLY HA2 H 3.958 0.005 1 798 . 71 GLY HA3 H 3.958 0.005 1 799 . 72 LYS N N 120.051 0.050 1 800 . 72 LYS H H 8.170 0.005 1 801 . 72 LYS CA C 54.165 0.050 1 802 . 72 LYS HA H 4.374 0.005 1 803 . 72 LYS C C 175.766 0.050 1 804 . 72 LYS CB C 31.296 0.050 1 805 . 72 LYS HB2 H 1.780 0.005 2 806 . 72 LYS HB3 H 1.880 0.005 2 807 . 72 LYS CG C 22.458 0.050 1 808 . 72 LYS CD C 26.865 0.050 1 809 . 72 LYS CE C 40.005 0.050 1 810 . 72 LYS HG2 H 1.441 0.005 1 811 . 72 LYS HD3 H 1.767 0.005 1 812 . 72 LYS HE3 H 3.042 0.005 1 813 . 72 LYS HG3 H 1.441 0.005 1 814 . 72 LYS HD2 H 1.767 0.005 1 815 . 72 LYS HE2 H 3.042 0.005 1 816 . 73 ARG N N 123.310 0.050 1 817 . 73 ARG H H 8.445 0.005 1 818 . 73 ARG CA C 51.693 0.050 1 819 . 73 ARG HA H 4.581 0.005 1 820 . 73 ARG CB C 28.038 0.050 1 821 . 73 ARG HB2 H 1.746 0.005 2 822 . 73 ARG HB3 H 1.866 0.005 2 823 . 73 ARG CG C 24.944 0.050 1 824 . 73 ARG HG2 H 1.652 0.005 2 825 . 73 ARG HG3 H 1.683 0.005 2 826 . 73 ARG CD C 41.167 0.050 1 827 . 73 ARG NE N 116.565 0.050 1 828 . 73 ARG HE H 7.369 0.005 1 829 . 73 ARG HD2 H 3.181 0.005 1 830 . 73 ARG HD3 H 3.181 0.005 1 831 . 74 PRO CA C 60.851 0.050 1 832 . 74 PRO HA H 4.462 0.005 1 833 . 74 PRO C C 175.973 0.050 1 834 . 74 PRO CB C 30.024 0.050 1 835 . 74 PRO HB2 H 1.910 0.005 2 836 . 74 PRO HB3 H 2.286 0.005 2 837 . 74 PRO CG C 25.229 0.050 1 838 . 74 PRO CD C 48.464 0.050 1 839 . 74 PRO HD2 H 3.593 0.005 2 840 . 74 PRO HD3 H 3.778 0.005 2 841 . 74 PRO HG2 H 2.000 0.005 1 842 . 74 PRO HG3 H 2.000 0.005 1 843 . 75 ASP N N 120.741 0.050 1 844 . 75 ASP H H 8.422 0.005 1 845 . 75 ASP CA C 52.125 0.050 1 846 . 75 ASP HA H 4.673 0.005 1 847 . 75 ASP C C 176.898 0.050 1 848 . 75 ASP CB C 39.117 0.050 1 849 . 75 ASP HB2 H 2.679 0.005 2 850 . 75 ASP HB3 H 2.722 0.005 2 851 . 76 ARG N N 117.880 0.050 1 852 . 76 ARG H H 8.152 0.005 1 853 . 76 ARG CA C 52.877 0.050 1 854 . 76 ARG HA H 4.701 0.005 1 855 . 76 ARG C C 177.602 0.050 1 856 . 76 ARG CB C 31.887 0.050 1 857 . 76 ARG HB2 H 1.714 0.005 2 858 . 76 ARG HB3 H 2.014 0.005 2 859 . 76 ARG CG C 24.008 0.050 1 860 . 76 ARG HG2 H 1.433 0.005 2 861 . 76 ARG HG3 H 1.502 0.005 2 862 . 76 ARG CD C 41.228 0.050 1 863 . 76 ARG HD2 H 2.288 0.005 2 864 . 76 ARG HD3 H 2.596 0.005 2 865 . 76 ARG NE N 115.982 0.050 1 866 . 76 ARG HE H 6.642 0.005 1 867 . 77 LYS N N 122.640 0.050 1 868 . 77 LYS H H 9.520 0.005 1 869 . 77 LYS CA C 53.678 0.050 1 870 . 77 LYS HA H 5.111 0.005 1 871 . 77 LYS C C 178.785 0.050 1 872 . 77 LYS CB C 34.755 0.050 1 873 . 77 LYS HB2 H 1.590 0.005 2 874 . 77 LYS HB3 H 1.912 0.005 2 875 . 77 LYS CG C 22.892 0.050 1 876 . 77 LYS HG2 H 1.151 0.005 2 877 . 77 LYS HG3 H 1.247 0.005 2 878 . 77 LYS CD C 28.362 0.050 1 879 . 77 LYS HD2 H 1.627 0.005 2 880 . 77 LYS HD3 H 1.776 0.005 2 881 . 77 LYS CE C 39.937 0.050 1 882 . 77 LYS HE2 H 2.699 0.005 1 883 . 77 LYS HE3 H 3.068 0.005 1 884 . 78 LYS N N 124.748 0.050 1 885 . 78 LYS H H 8.897 0.005 1 886 . 78 LYS CA C 52.524 0.050 1 887 . 78 LYS HA H 5.227 0.005 1 888 . 78 LYS C C 177.212 0.050 1 889 . 78 LYS CB C 34.162 0.050 1 890 . 78 LYS CG C 23.307 0.050 1 891 . 78 LYS HG2 H 0.684 0.005 2 892 . 78 LYS HG3 H 0.764 0.005 2 893 . 78 LYS CD C 27.414 0.050 1 894 . 78 LYS HD2 H 1.117 0.005 2 895 . 78 LYS HD3 H 1.157 0.005 2 896 . 78 LYS CE C 39.399 0.050 1 897 . 78 LYS HE2 H 2.076 0.005 1 898 . 78 LYS HE3 H 2.303 0.005 1 899 . 78 LYS HB2 H 1.436 0.005 1 900 . 78 LYS HB3 H 1.436 0.005 1 901 . 79 ALA N N 123.021 0.050 1 902 . 79 ALA H H 9.490 0.005 1 903 . 79 ALA CA C 47.873 0.050 1 904 . 79 ALA HA H 5.363 0.005 1 905 . 79 ALA C C 177.170 0.050 1 906 . 79 ALA CB C 21.614 0.050 1 907 . 79 ALA HB H 1.295 0.005 1 908 . 80 ILE N N 122.894 0.050 1 909 . 80 ILE H H 9.173 0.005 1 910 . 80 ILE CA C 58.967 0.050 1 911 . 80 ILE HA H 4.731 0.005 1 912 . 80 ILE C C 176.134 0.050 1 913 . 80 ILE CB C 37.374 0.050 1 914 . 80 ILE HB H 1.726 0.005 1 915 . 80 ILE CG1 C 25.974 0.050 1 916 . 80 ILE HG12 H 1.192 0.005 2 917 . 80 ILE HG13 H 1.409 0.005 2 918 . 80 ILE CG2 C 16.271 0.050 1 919 . 80 ILE HG2 H 0.777 0.005 1 920 . 80 ILE CD1 C 12.075 0.050 1 921 . 80 ILE HD1 H 0.790 0.005 1 922 . 81 VAL N N 127.144 0.050 1 923 . 81 VAL H H 9.634 0.005 1 924 . 81 VAL CA C 58.236 0.050 1 925 . 81 VAL HA H 4.906 0.005 1 926 . 81 VAL C C 178.773 0.050 1 927 . 81 VAL CB C 31.868 0.050 1 928 . 81 VAL HB H 2.400 0.005 1 929 . 81 VAL CG1 C 20.548 0.050 2 930 . 81 VAL HG1 H 1.063 0.005 2 931 . 81 VAL CG2 C 18.981 0.050 2 932 . 81 VAL HG2 H 1.120 0.005 2 933 . 82 GLN N N 126.481 0.050 1 934 . 82 GLN H H 8.977 0.005 1 935 . 82 GLN CA C 51.523 0.050 1 936 . 82 GLN HA H 5.493 0.005 1 937 . 82 GLN C C 175.711 0.050 1 938 . 82 GLN CB C 29.263 0.050 1 939 . 82 GLN HB2 H 1.879 0.005 2 940 . 82 GLN HB3 H 2.118 0.005 2 941 . 82 GLN CG C 31.480 0.050 1 942 . 82 GLN HG2 H 2.271 0.005 2 943 . 82 GLN HG3 H 2.454 0.005 2 944 . 82 GLN NE2 N 112.314 0.050 1 945 . 82 GLN HE21 H 7.173 0.005 1 946 . 82 GLN HE22 H 7.719 0.005 1 947 . 83 VAL N N 122.038 0.050 1 948 . 83 VAL H H 9.069 0.005 1 949 . 83 VAL CA C 57.974 0.050 1 950 . 83 VAL HA H 5.272 0.005 1 951 . 83 VAL C C 176.892 0.050 1 952 . 83 VAL CB C 31.129 0.050 1 953 . 83 VAL HB H 2.581 0.005 1 954 . 83 VAL CG1 C 20.159 0.050 2 955 . 83 VAL HG1 H 0.944 0.005 2 956 . 83 VAL CG2 C 17.958 0.050 2 957 . 83 VAL HG2 H 1.177 0.005 2 958 . 84 ALA N N 123.975 0.050 1 959 . 84 ALA H H 8.089 0.005 1 960 . 84 ALA CA C 48.949 0.050 1 961 . 84 ALA HA H 4.258 0.005 1 962 . 84 ALA CB C 15.114 0.050 1 963 . 84 ALA HB H 1.332 0.005 1 964 . 85 PRO CA C 61.945 0.050 1 965 . 85 PRO HA H 4.422 0.005 1 966 . 85 PRO C C 174.156 0.050 1 967 . 85 PRO CB C 29.498 0.050 1 968 . 85 PRO HB2 H 1.944 0.005 2 969 . 85 PRO HB3 H 2.374 0.005 2 970 . 85 PRO CG C 25.612 0.050 1 971 . 85 PRO HG2 H 2.112 0.005 2 972 . 85 PRO HG3 H 2.193 0.005 2 973 . 85 PRO CD C 48.398 0.050 1 974 . 85 PRO HD2 H 3.656 0.005 2 975 . 85 PRO HD3 H 3.860 0.005 2 976 . 86 GLY N N 112.042 0.050 1 977 . 86 GLY H H 8.734 0.005 1 978 . 86 GLY CA C 43.224 0.050 1 979 . 86 GLY HA2 H 3.744 0.005 1 980 . 86 GLY HA3 H 4.319 0.005 1 981 . 86 GLY C C 177.756 0.050 1 982 . 87 GLN N N 119.084 0.050 1 983 . 87 GLN H H 8.003 0.005 1 984 . 87 GLN CA C 53.253 0.050 1 985 . 87 GLN HA H 4.672 0.005 1 986 . 87 GLN C C 177.457 0.050 1 987 . 87 GLN CB C 27.699 0.050 1 988 . 87 GLN HB2 H 2.039 0.005 2 989 . 87 GLN HB3 H 2.357 0.005 2 990 . 87 GLN CG C 32.532 0.050 1 991 . 87 GLN NE2 N 108.520 0.050 1 992 . 87 GLN HE21 H 6.395 0.005 1 993 . 87 GLN HE22 H 7.448 0.005 1 994 . 87 GLN HG2 H 2.360 0.005 1 995 . 87 GLN HG3 H 2.360 0.005 1 996 . 88 LYS N N 116.597 0.050 1 997 . 88 LYS H H 8.297 0.005 1 998 . 88 LYS CA C 52.594 0.050 1 999 . 88 LYS HA H 4.696 0.005 1 1000 . 88 LYS C C 177.424 0.050 1 1001 . 88 LYS CB C 33.991 0.050 1 1002 . 88 LYS HB2 H 1.661 0.005 2 1003 . 88 LYS HB3 H 1.734 0.005 2 1004 . 88 LYS CG C 21.769 0.050 1 1005 . 88 LYS HG2 H 1.299 0.005 2 1006 . 88 LYS HG3 H 1.379 0.005 2 1007 . 88 LYS CD C 27.036 0.050 1 1008 . 88 LYS CE C 40.077 0.050 1 1009 . 88 LYS HD3 H 1.684 0.005 1 1010 . 88 LYS HE3 H 2.974 0.005 1 1011 . 88 LYS HD2 H 1.684 0.005 1 1012 . 88 LYS HE2 H 2.974 0.005 1 1013 . 89 ILE N N 118.419 0.050 1 1014 . 89 ILE H H 7.343 0.005 1 1015 . 89 ILE CA C 58.371 0.050 1 1016 . 89 ILE HA H 4.066 0.005 1 1017 . 89 ILE C C 176.119 0.050 1 1018 . 89 ILE CB C 33.850 0.050 1 1019 . 89 ILE HB H 0.678 0.005 1 1020 . 89 ILE CG1 C 25.131 0.050 1 1021 . 89 ILE HG12 H 0.407 0.005 2 1022 . 89 ILE HG13 H 0.808 0.005 2 1023 . 89 ILE CG2 C 15.931 0.050 1 1024 . 89 ILE HG2 H 0.207 0.005 1 1025 . 89 ILE CD1 C 9.757 0.050 1 1026 . 89 ILE HD1 H -0.152 0.005 1 1027 . 90 GLU N N 128.594 0.050 1 1028 . 90 GLU H H 8.507 0.005 1 1029 . 90 GLU CA C 57.630 0.050 1 1030 . 90 GLU HA H 3.909 0.005 1 1031 . 90 GLU C C 173.762 0.050 1 1032 . 90 GLU CB C 27.093 0.050 1 1033 . 90 GLU CG C 33.679 0.050 1 1034 . 90 GLU HG2 H 2.337 0.005 2 1035 . 90 GLU HG3 H 2.378 0.005 2 1036 . 90 GLU HB2 H 2.075 0.005 1 1037 . 90 GLU HB3 H 2.075 0.005 1 1038 . 91 ALA N N 119.713 0.050 1 1039 . 91 ALA H H 8.830 0.005 1 1040 . 91 ALA CA C 52.275 0.050 1 1041 . 91 ALA HA H 4.181 0.005 1 1042 . 91 ALA C C 173.749 0.050 1 1043 . 91 ALA CB C 16.853 0.050 1 1044 . 91 ALA HB H 1.522 0.005 1 1045 . 92 LEU N N 113.256 0.050 1 1046 . 92 LEU H H 6.800 0.005 1 1047 . 92 LEU CA C 53.384 0.050 1 1048 . 92 LEU HA H 4.363 0.005 1 1049 . 92 LEU C C 174.657 0.050 1 1050 . 92 LEU CB C 39.691 0.050 1 1051 . 92 LEU HB2 H 1.321 0.005 2 1052 . 92 LEU HB3 H 1.558 0.005 2 1053 . 92 LEU CG C 25.840 0.050 1 1054 . 92 LEU HG H 1.359 0.005 1 1055 . 92 LEU CD1 C 23.223 0.050 2 1056 . 92 LEU HD1 H 0.586 0.005 2 1057 . 92 LEU CD2 C 21.412 0.050 2 1058 . 92 LEU HD2 H 0.814 0.005 2 1059 . 93 GLU N N 117.272 0.050 1 1060 . 93 GLU H H 7.554 0.005 1 1061 . 93 GLU CA C 56.344 0.050 1 1062 . 93 GLU HA H 4.167 0.005 1 1063 . 93 GLU C C 174.302 0.050 1 1064 . 93 GLU CB C 27.124 0.050 1 1065 . 93 GLU HB2 H 2.014 0.005 2 1066 . 93 GLU HB3 H 2.223 0.005 2 1067 . 93 GLU CG C 33.757 0.050 1 1068 . 93 GLU HG2 H 2.196 0.005 2 1069 . 93 GLU HG3 H 2.391 0.005 2 1070 . 94 GLY N N 104.531 0.050 1 1071 . 94 GLY H H 8.024 0.005 1 1072 . 94 GLY CA C 43.426 0.050 1 1073 . 94 GLY HA2 H 3.910 0.005 1 1074 . 94 GLY HA3 H 4.090 0.005 1 1075 . 94 GLY C C 177.850 0.050 1 1076 . 95 LEU N N 119.193 0.050 1 1077 . 95 LEU H H 7.561 0.005 1 1078 . 95 LEU CA C 53.169 0.050 1 1079 . 95 LEU HA H 4.162 0.005 1 1080 . 95 LEU C C 176.171 0.050 1 1081 . 95 LEU CB C 40.537 0.050 1 1082 . 95 LEU HB2 H 1.439 0.005 2 1083 . 95 LEU HB3 H 1.799 0.005 2 1084 . 95 LEU CG C 24.401 0.050 1 1085 . 95 LEU HG H 1.767 0.005 1 1086 . 95 LEU CD1 C 20.486 0.050 2 1087 . 95 LEU HD1 H 0.712 0.005 2 1088 . 95 LEU CD2 C 23.835 0.050 2 1089 . 95 LEU HD2 H 0.970 0.005 2 1090 . 96 ILE N N 121.144 0.050 1 1091 . 96 ILE H H 7.088 0.005 1 1092 . 96 ILE CA C 60.318 0.050 1 1093 . 96 ILE HA H 3.942 0.005 1 1094 . 96 ILE CB C 37.386 0.050 1 1095 . 96 ILE HB H 1.711 0.005 1 1096 . 96 ILE CG1 C 25.186 0.050 1 1097 . 96 ILE HG12 H 1.034 0.005 2 1098 . 96 ILE HG13 H 1.377 0.005 2 1099 . 96 ILE CG2 C 15.880 0.050 1 1100 . 96 ILE HG2 H 0.711 0.005 1 1101 . 96 ILE CD1 C 11.758 0.050 1 1102 . 96 ILE HD1 H 0.779 0.005 1 stop_ save_