data_4345 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Yeast Ribosomal Protein L30 in Complex with Its mRNA in Solution ; _BMRB_accession_number 4345 _BMRB_flat_file_name bmr4345.str _Entry_type original _Submission_date 1999-05-07 _Accession_date 1999-05-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'both the protein and RNA chemical shifts are provided here.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mao Hongyuan . . 2 White Susan A. . 3 Williamson james R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 861 "13C chemical shifts" 648 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-08 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4346 . stop_ _Original_release_date 2000-03-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Mao, H. N., White, S. A., and Williamson, J. R., "A Novel Loop-loop Recognition Motif in the Yeast Ribosomal Protein L30 Autoregulatory RNA Complex," Nat. Struct. Biol. 6, 1139-1147 (1999). ; _Citation_title ; A Novel Loop-loop Recognition Motif in the Yeast Ribosomal Protein L30 Autoregulatory RNA Complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20051011 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mao Hongyuan . . 2 White Susan A. . 3 Williamson james R. . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_name_full 'Nature Structural Biology' _Journal_volume 6 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1139 _Page_last 1147 _Year 1999 _Details . loop_ _Keyword 'AUTO-REGULATION OF PRE-MRNA SPLICING AND MRNA TRANSLATION' 'PROTEIN-RNA COMPLEX' 'RIBOSOMAL PROTEIN' stop_ save_ ################################## # Molecular system description # ################################## save_L30-MRNA _Saveframe_category molecular_system _Mol_system_name 'L30-MRNA COMPLEX' _Abbreviation_common L30-MRNA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'L30 PROTEIN' $RPL30 'L30 MRNA' $L30N stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'eukaryotic ribosomal protein, autoregulation of its synthesis.' stop_ _Database_query_date . _Details ; THE PROTEIN STUDIED IS IN COMPLEX WITH ITS REGULATORY MRNA HAIRPIN. THE RNA USED IN THE NMR STUDIES IS ONLY A SMALL FRACTION OF THE PRE-MRNA. DETAILED DESCRIPTION CAN BE FOUND IN THE REFERENCE PAPER. ; save_ ######################## # Monomeric polymers # ######################## save_RPL30 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'YEAST (SACCHAROMYCES CEREVISIAE) RIBOSOMAL PROTEIN L30' _Abbreviation_common RPL30 _Molecular_mass 11284 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; APVKSQESINQKLALVIKSG KYTLGYKSTVKSLRQGKSKL IIIAANTPVLRKSELEYYAM LSKTKVYYFQGGNNELGTAV GKLFRVGVVSILEAGDSDIL TTLA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 ALA 2 3 PRO 3 4 VAL 4 5 LYS 5 6 SER 6 7 GLN 7 8 GLU 8 9 SER 9 10 ILE 10 11 ASN 11 12 GLN 12 13 LYS 13 14 LEU 14 15 ALA 15 16 LEU 16 17 VAL 17 18 ILE 18 19 LYS 19 20 SER 20 21 GLY 21 22 LYS 22 23 TYR 23 24 THR 24 25 LEU 25 26 GLY 26 27 TYR 27 28 LYS 28 29 SER 29 30 THR 30 31 VAL 31 32 LYS 32 33 SER 33 34 LEU 34 35 ARG 35 36 GLN 36 37 GLY 37 38 LYS 38 39 SER 39 40 LYS 40 41 LEU 41 42 ILE 42 43 ILE 43 44 ILE 44 45 ALA 45 46 ALA 46 47 ASN 47 48 THR 48 49 PRO 49 50 VAL 50 51 LEU 51 52 ARG 52 53 LYS 53 54 SER 54 55 GLU 55 56 LEU 56 57 GLU 57 58 TYR 58 59 TYR 59 60 ALA 60 61 MET 61 62 LEU 62 63 SER 63 64 LYS 64 65 THR 65 66 LYS 66 67 VAL 67 68 TYR 68 69 TYR 69 70 PHE 70 71 GLN 71 72 GLY 72 73 GLY 73 74 ASN 74 75 ASN 75 76 GLU 76 77 LEU 77 78 GLY 78 79 THR 79 80 ALA 80 81 VAL 81 82 GLY 82 83 LYS 83 84 LEU 84 85 PHE 85 86 ARG 86 87 VAL 87 88 GLY 88 89 VAL 89 90 VAL 90 91 SER 91 92 ILE 92 93 LEU 93 94 GLU 94 95 ALA 95 96 GLY 96 97 ASP 97 98 SER 98 99 ASP 99 100 ILE 100 101 LEU 101 102 THR 102 103 THR 103 104 LEU 104 105 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 4339 "RIBOSOMAL PROTEIN L30" 100.00 104 100.00 100.00 2.26e-65 PDB 1CK2 "Yeast (Saccharomyces Cerevisiae) Ribosomal Protein L30" 100.00 104 100.00 100.00 2.26e-65 PDB 1CN7 "Yeast Ribosomal Protein L30" 100.00 104 100.00 100.00 2.26e-65 PDB 1NMU Mbp-L30 100.00 104 100.00 100.00 2.26e-65 PDB 1T0K "Joint X-ray And Nmr Refinement Of Yeast L30e-mrna Complex" 100.00 105 100.00 100.00 2.18e-65 PDB 1VW8 "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 5 Degree Rotation (class Ii). This Entry Contains The La" 100.00 105 100.00 100.00 2.18e-65 PDB 1VWU "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 2 Degree Rotation (class I). This Entry Contains The Lar" 100.00 105 100.00 100.00 2.18e-65 PDB 1VXV "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class Ii - Rotated Ribosome With " 100.00 105 100.00 100.00 2.18e-65 PDB 1VXY "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class I - Non-rotated Ribosome Wi" 100.00 105 100.00 100.00 2.18e-65 PDB 3IZS "Localization Of The Large Subunit Ribosomal Proteins Into A 6.1 A Cryo-Em Map Of Saccharomyces Cerevisiae Translating 80s Ribos" 100.00 105 100.00 100.00 2.18e-65 PDB 3J65 "Arx1 Pre-60s Particle. This Entry Contains The R-proteins And Biogenesis Factors." 100.00 105 100.00 100.00 2.18e-65 PDB 3JYW "Structure Of The 60s Proteins For Eukaryotic Ribosome Based On Cryo-Em Map Of Thermomyces Lanuginosus Ribosome At 8.9a Resoluti" 94.23 98 100.00 100.00 1.14e-60 PDB 3O58 "Yeast 80s Ribosome. This Entry Consists Of The 60s Subunit Of The First 80s In The Asymmetric Unit." 100.00 105 100.00 100.00 2.18e-65 PDB 3O5H "Yeast 80s Ribosome. This Entry Consists Of The 60s Subunit Of The Second 80s In The Asymmetric Unit." 100.00 105 100.00 100.00 2.18e-65 PDB 3U5E "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 60s Subunit, Ribosome A" 100.00 105 100.00 100.00 2.18e-65 PDB 3U5I "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 60s Subunit, Ribosome B" 100.00 105 100.00 100.00 2.18e-65 PDB 4B6A "Cryo-Em Structure Of The 60s Ribosomal Subunit In Complex With Arx1 And Rei1" 100.00 105 100.00 100.00 2.18e-65 PDB 4BYN "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" 100.00 104 100.00 100.00 2.26e-65 PDB 4BYU "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" 100.00 104 100.00 100.00 2.26e-65 PDB 4CUW "Kluyveromyces Lactis 80s Ribosome In Complex With Crpv-ires" 100.00 105 100.00 100.00 2.18e-65 PDB 4UJH "Crystal Structure Of Narciclasine Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UJJ "Crystal Structure Of Narciclasine Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UJM "Crystal Structure Of Lycorine Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UJO "Crystal Structure Of Lycorine Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UJR "Crystal Structure Of Lactimidomycin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UJT "Crystal Structure Of Lactimidomycin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UJW "Crystal Structure Of T-2 Toxin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UJY "Crystal Structure Of T-2 Toxin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UK1 "Crystal Structure Of Anisomycin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UK3 "Crystal Structure Of Anisomycin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UK6 "Crystal Structure Of Cca Trinucleotide Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UK8 "Crystal Structure Of Cca Trinucleotide Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UKB "Crystal Structure Of Cycloheximide Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UKE "Crystal Structure Of Cycloheximide Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UKH "Crystal Structure Of Blasticidin S Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UKJ "Crystal Structure Of Blasticidin S Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UKM "Crystal Structure Of Cryptopleurine Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UKO "Crystal Structure Of Cryptopleurine Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UKR "Crystal Structure Of Deoxynivalenol Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UKT "Crystal Structure Of Deoxynivalenol Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UKW "Crystal Structure Of Edeine Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UKY "Crystal Structure Of Edeine Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UL1 "Crystal Structure Of Geneticin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UL3 "Crystal Structure Of Geneticin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UL6 "Crystal Structure Of Homoharringtonine Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4UL8 "Crystal Structure Of Homoharringtonine Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4ULB "Crystal Structure Of Nagilactone C Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4ULD "Crystal Structure Of Nagilactone C Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4ULG "Crystal Structure Of Pactamycin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4ULI "Crystal Structure Of Pactamycin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4ULM "Crystal Structure Of Phyllanthoside Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4ULO "Crystal Structure Of Phyllanthoside Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4ULR "Crystal Structure Of Verrucarin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 PDB 4ULT "Crystal Structure Of Verrucarin Bound To The Yeast 80s Ribosome" 100.00 104 100.00 100.00 2.26e-65 DBJ GAA23357 "K7_Rpl30p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 105 100.00 100.00 2.18e-65 EMBL CAA96731 "RPL32 [Saccharomyces cerevisiae]" 100.00 105 100.00 100.00 2.18e-65 EMBL CAY79728 "Rpl30p [Saccharomyces cerevisiae EC1118]" 100.00 105 100.00 100.00 2.18e-65 EMBL CCD24685 "hypothetical protein NDAI_0D03710 [Naumovozyma dairenensis CBS 421]" 100.00 105 99.04 100.00 4.89e-65 EMBL CEP64155 "LALA0S10e03686g1_1 [Lachancea lanzarotensis]" 100.00 105 97.12 100.00 3.80e-64 GB AAA35005 "ribosomal protein L32 [Saccharomyces cerevisiae]" 100.00 105 100.00 100.00 2.18e-65 GB AHY79340 "Rpl30p [Saccharomyces cerevisiae YJM993]" 100.00 105 100.00 100.00 2.18e-65 GB AJP38758 "Rpl30p [Saccharomyces cerevisiae YJM1078]" 100.00 105 100.00 100.00 2.18e-65 GB AJR76078 "Rpl30p [Saccharomyces cerevisiae YJM189]" 100.00 105 100.00 100.00 2.18e-65 GB AJR76578 "Rpl30p [Saccharomyces cerevisiae YJM193]" 100.00 105 99.04 99.04 2.54e-64 REF NP_011485 "ribosomal 60S subunit protein L30 [Saccharomyces cerevisiae S288c]" 100.00 105 100.00 100.00 2.18e-65 REF XP_003669928 "ribosomal protein L30 [Naumovozyma dairenensis CBS 421]" 100.00 105 99.04 100.00 4.89e-65 SP P14120 "RecName: Full=60S ribosomal protein L30; AltName: Full=L32; AltName: Full=RP73; AltName: Full=YL38" 100.00 105 100.00 100.00 2.18e-65 TPG DAA08069 "TPA: ribosomal 60S subunit protein L30 [Saccharomyces cerevisiae S288c]" 100.00 105 100.00 100.00 2.18e-65 stop_ save_ save_L30N _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common L30N _Abbreviation_common L30N _Molecular_mass 10814 _Mol_thiol_state . _Details . _Residue_count 33 _Mol_residue_sequence ; GGACCGGAGUGUCGCAAGAC GCAGAGAUGGUCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 5 G 2 6 G 3 7 A 4 8 C 5 9 C 6 10 G 7 11 G 8 12 A 9 13 G 10 14 U 11 15 G 12 16 U 13 17 C 14 18 G 15 19 C 16 20 A 17 21 A 18 50 G 19 51 A 20 52 C 21 53 G 22 54 C 23 55 A 24 56 G 25 57 A 26 58 G 27 59 A 28 60 U 29 61 G 30 62 G 31 63 U 32 64 C 33 65 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organelle _Fraction _Gene_mnemonic _Details $RPL30 'BAKER'S YEAST' 4932 Eukaryota Fungi SACCHAROMYCES CEREVISIAE 'RIBOSOME,60S SUBUNIT' CYTOPLASM RPL30 'recombinant expression as a c-terminal maltose-binding protein fusion in Escherichia coli strain JM109 hosting plasmid pMALC-30' $L30N 'BAKER'S YEAST' 4932 Eukaryota Fungi SACCHAROMYCES CEREVISIAE . NUCLEUS 'L30 PRE-MRNA' 'IN VITRO T7 RNA POLYMERASE TRANSCRIPTION' 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 _Details $RPL30 'recombinant technology' 'E. COLI' . . JM109 PLASMID PMALC-L30 'RECOMBINANT EXPRESSION AS A C-TERMINAL MALTOSE-BINDING PROTEIN FUSION IN ESCHERICHIA COLI STRAIN JM109 HOSTING PLASMID PMALC-30' $L30N 'enzymatic semisynthesis' . . . . . . 'IN VITRO T7 RNA POLYMERASE TRANSCRIPTION' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RPL30 1.3 mM 0.5 1.8 [U-15N] $L30N 1.3 mM 0.5 1.8 . stop_ save_ save_SAMPLE_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RPL30 1.7 mM . . '[U-99% 13C; U-99% 15N]' $L30N 1.3 mM 0.5 1.8 . stop_ save_ save_SAMPLE_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RPL30 0.9 mM . . '[U-99% 13C; U-99% 15N]' $L30N 1.3 mM 0.5 1.8 . stop_ save_ save_SAMPLE_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RPL30 0.5 mM . . . $L30N 1.3 mM 0.5 1.8 '[U-99% 13C; U-99% 15N]-G' stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Saveframe_category software _Name NMRPIPE _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.10 0.02 M pH 6.5 0.2 n/a temperature 303 1 K stop_ save_ save_Ex-cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units ionic_strength 0.10 0.02 M pH 6.0 0.2 na temperature 303 1 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_citation_label _Correction_value_citation_label TSP C 13 'methyl protons' ppm 0.00 internal direct spherical internal parallel_to_Bo $entry_citation $entry_citation TSP H 1 'methyl protons' ppm 0.00 internal direct spherical internal parallel_to_Bo $entry_citation $entry_citation 'ammonium chloride NH4Cl' N 15 'ammonium nitrogen' ppm 0.00 internal direct spherical internal parallel_to_Bo $entry_citation $entry_citation 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 $SAMPLE_2 $SAMPLE_3 $SAMPLE_4 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $Chemical_shift_reference _Mol_system_component_name 'L30 MRNA' _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 G H8 H 8.16 0.02 1 2 . 1 G C8 C 139.4 0.2 1 3 . 1 G H1' H 5.83 0.02 1 4 . 1 G H2' H 4.97 0.02 1 5 . 1 G H3' H 4.81 0.02 1 6 . 1 G H4' H 4.60 0.02 1 7 . 1 G H5' H 4.42 0.02 2 8 . 1 G H5'' H 4.33 0.02 2 9 . 1 G C1' C 90.8 0.2 1 10 . 1 G C2' C 75.5 0.2 1 11 . 1 G C3' C 75.4 0.2 1 12 . 1 G C4' C 84.2 0.2 1 13 . 1 G C5' C 67.8 0.2 1 14 . 2 G H1 H 12.43 0.02 1 15 . 2 G H8 H 7.66 0.02 1 16 . 2 G C8 C 137.6 0.2 1 17 . 2 G N1 N 147.3 0.2 1 18 . 2 G H1' H 5.94 0.02 1 19 . 2 G H2' H 4.69 0.02 1 20 . 2 G H3' H 4.32 0.02 1 21 . 2 G H4' H 4.64 0.02 1 22 . 2 G H5' H 4.37 0.02 2 23 . 2 G H5'' H 4.51 0.02 2 24 . 2 G C1' C 93.1 0.2 1 25 . 2 G C2' C 75.9 0.2 1 26 . 2 G C3' C 74.0 0.2 1 27 . 2 G C4' C 83.2 0.2 1 28 . 2 G C5' C 67.4 0.2 1 29 . 3 A H2 H 7.83 0.02 1 30 . 3 A H8 H 7.94 0.02 1 31 . 3 A C2 C 154.4 0.2 1 32 . 3 A C8 C 140.5 0.2 1 33 . 3 A H1' H 6.03 0.02 1 34 . 3 A H2' H 4.65 0.02 1 35 . 3 A H3' H 4.65 0.02 1 36 . 3 A H4' H 4.52 0.02 1 37 . 3 A H5' H 4.12 0.02 2 38 . 3 A H5'' H 4.65 0.02 2 39 . 3 A C1' C 93.3 0.2 1 40 . 3 A C2' C 76.1 0.2 1 41 . 3 A C3' C 73.1 0.2 1 42 . 3 A C4' C 82.5 0.2 1 43 . 3 A C5' C 65.4 0.2 1 44 . 4 C H41 H 8.38 0.02 2 45 . 4 C H42 H 6.99 0.02 2 46 . 4 C H5 H 5.26 0.02 1 47 . 4 C H6 H 7.34 0.02 1 48 . 4 C C5 C 97.7 0.2 1 49 . 4 C C6 C 140.6 0.2 1 50 . 4 C N4 N 97.2 0.2 1 51 . 4 C H1' H 5.34 0.02 1 52 . 4 C H2' H 4.29 0.02 1 53 . 4 C H3' H 4.20 0.02 1 54 . 4 C H4' H 4.42 0.02 1 55 . 4 C H5' H 4.06 0.02 2 56 . 4 C H5'' H 4.47 0.02 2 57 . 4 C C1' C 94.2 0.2 1 58 . 4 C C2' C 76.0 0.2 1 59 . 4 C C3' C 73.0 0.2 1 60 . 4 C C4' C 82.3 0.2 1 61 . 4 C C5' C 65.6 0.2 1 62 . 5 C H41 H 8.31 0.02 2 63 . 5 C H42 H 6.42 0.02 2 64 . 5 C H5 H 5.16 0.02 1 65 . 5 C H6 H 7.50 0.02 1 66 . 5 C C5 C 98.2 0.2 1 67 . 5 C C6 C 141.1 0.2 1 68 . 5 C N4 N 97.1 0.2 1 69 . 5 C H1' H 5.35 0.02 1 70 . 5 C H2' H 4.61 0.02 1 71 . 5 C H3' H 4.29 0.02 1 72 . 5 C H4' H 4.35 0.02 1 73 . 5 C H5' H 4.07 0.02 2 74 . 5 C H5'' H 4.52 0.02 2 75 . 5 C C1' C 95.1 0.2 1 76 . 5 C C2' C 75.2 0.2 1 77 . 5 C C3' C 72.8 0.2 1 78 . 5 C C4' C 82.6 0.2 1 79 . 5 C C5' C 65.2 0.2 1 80 . 6 G H1 H 10.95 0.02 1 81 . 6 G H21 H 6.45 0.02 9 82 . 6 G H8 H 7.52 0.02 1 83 . 6 G C8 C 136.2 0.2 1 84 . 6 G N1 N 144.3 0.2 1 85 . 6 G N2 N 72.9 0.2 9 86 . 6 G H1' H 5.51 0.02 1 87 . 6 G H2' H 3.43 0.02 1 88 . 6 G H3' H 4.45 0.02 1 89 . 6 G H4' H 4.22 0.02 1 90 . 6 G H5' H 4.45 0.02 2 91 . 6 G C1' C 93.2 0.2 1 92 . 6 G C2' C 76.1 0.2 1 93 . 6 G C3' C 73.0 0.2 1 94 . 6 G C4' C 83.3 0.2 1 95 . 7 G H1 H 11.18 0.02 1 96 . 7 G H8 H 8.00 0.02 1 97 . 7 G C8 C 138.5 0.2 1 98 . 7 G N1 N 144.4 0.2 1 99 . 7 G H1' H 5.80 0.02 1 100 . 7 G H2' H 5.07 0.02 1 101 . 7 G H3' H 4.89 0.02 1 102 . 7 G H4' H 4.67 0.02 1 103 . 7 G C1' C 89.1 0.2 1 104 . 7 G C2' C 76.3 0.2 1 105 . 7 G C3' C 80.0 0.2 1 106 . 7 G C4' C 87.5 0.2 1 107 . 8 A H2 H 7.84 0.02 1 108 . 8 A H8 H 8.04 0.02 1 109 . 8 A C2 C 154.9 0.2 1 110 . 8 A C8 C 140.8 0.2 1 111 . 8 A H1' H 6.04 0.02 1 112 . 8 A H2' H 4.94 0.02 1 113 . 8 A H3' H 4.59 0.02 1 114 . 8 A H4' H 4.94 0.02 1 115 . 8 A C1' C 89.0 0.2 1 116 . 8 A C2' C 79.7 0.2 1 117 . 8 A C3' C 78.8 0.2 1 118 . 8 A C4' C 85.4 0.2 1 119 . 9 G H1 H 12.76 0.02 1 120 . 9 G H21 H 8.69 0.02 1 121 . 9 G H8 H 8.10 0.02 1 122 . 9 G C8 C 138.2 0.2 1 123 . 9 G N1 N 148.8 0.2 1 124 . 9 G N2 N 73.4 0.2 1 125 . 9 G H1' H 6.78 0.02 1 126 . 9 G H2' H 5.00 0.02 1 127 . 9 G H3' H 4.53 0.02 1 128 . 9 G H4' H 4.99 0.02 1 129 . 9 G H5' H 4.38 0.02 2 130 . 9 G C1' C 94.0 0.2 1 131 . 9 G C2' C 79.9 0.2 1 132 . 9 G C4' C 83.8 0.2 1 133 . 10 U H3 H 11.89 0.02 1 134 . 10 U H5 H 5.50 0.02 1 135 . 10 U H6 H 8.02 0.02 1 136 . 10 U C5 C 104.5 0.2 1 137 . 10 U C6 C 140.5 0.2 1 138 . 10 U N1 N 158.5 0.2 1 139 . 10 U H1' H 5.51 0.02 1 140 . 10 U H2' H 4.46 0.02 1 141 . 10 U H3' H 4.42 0.02 1 142 . 10 U H4' H 4.39 0.02 1 143 . 10 U H5' H 4.26 0.02 2 144 . 10 U H5'' H 4.32 0.02 2 145 . 10 U C1' C 94.3 0.2 1 146 . 10 U C2' C 75.9 0.2 1 147 . 10 U C3' C 72.7 0.2 1 148 . 10 U C4' C 82.3 0.2 1 149 . 10 U C5' C 67.9 0.2 1 150 . 11 G H1 H 12.95 0.02 1 151 . 11 G H8 H 7.92 0.02 1 152 . 11 G C8 C 137.7 0.2 1 153 . 11 G N1 N 147.8 0.2 1 154 . 11 G H1' H 5.88 0.02 1 155 . 11 G H2' H 4.57 0.02 1 156 . 11 G H3' H 4.59 0.02 1 157 . 11 G H4' H 4.58 0.02 1 158 . 11 G H5' H 4.36 0.02 2 159 . 11 G H5'' H 4.16 0.02 2 160 . 11 G C1' C 93.3 0.2 1 161 . 11 G C2' C 75.7 0.2 1 162 . 11 G C3' C 73.6 0.2 1 163 . 11 G C4' C 82.7 0.2 1 164 . 11 G C5' C 67.4 0.2 1 165 . 12 U H3 H 14.19 0.02 1 166 . 12 U H5 H 5.17 0.02 1 167 . 12 U H6 H 7.78 0.02 1 168 . 12 U C5 C 103.0 0.2 1 169 . 12 U C6 C 142.3 0.2 1 170 . 12 U N1 N 162.4 0.2 1 171 . 12 U H1' H 5.59 0.02 1 172 . 12 U H2' H 4.48 0.02 1 173 . 12 U H3' H 4.43 0.02 1 174 . 12 U H4' H 4.44 0.02 1 175 . 12 U H5' H 4.15 0.02 2 176 . 12 U H5'' H 4.54 0.02 2 177 . 12 U C1' C 94.5 0.2 1 178 . 12 U C2' C 76.0 0.2 1 179 . 12 U C3' C 73.1 0.2 1 180 . 12 U C4' C 82.3 0.2 1 181 . 12 U C5' C 65.3 0.2 1 182 . 13 C H41 H 8.19 0.02 2 183 . 13 C H42 H 6.73 0.02 2 184 . 13 C H5 H 5.56 0.02 1 185 . 13 C H6 H 7.67 0.02 1 186 . 13 C C5 C 98.4 0.2 1 187 . 13 C C6 C 141.2 0.2 1 188 . 13 C N4 N 97.9 0.2 1 189 . 13 C H1' H 5.60 0.02 1 190 . 13 C H2' H 4.30 0.02 1 191 . 13 C H3' H 4.50 0.02 1 192 . 13 C H4' H 4.42 0.02 1 193 . 13 C H5' H 4.11 0.02 2 194 . 13 C H5'' H 4.57 0.02 2 195 . 13 C C1' C 94.7 0.2 1 196 . 13 C C2' C 76.0 0.2 1 197 . 13 C C3' C 72.6 0.2 1 198 . 13 C C4' C 72.4 0.2 1 199 . 13 C C5' C 64.9 0.2 1 200 . 14 G H1 H 10.49 0.02 1 201 . 14 G H8 H 7.78 0.02 1 202 . 14 G C8 C 137.2 0.2 1 203 . 14 G N1 N 146.0 0.2 1 204 . 14 G H1' H 5.63 0.02 1 205 . 14 G H2' H 4.57 0.02 1 206 . 14 G H3' H 4.69 0.02 1 207 . 14 G H4' H 4.44 0.02 1 208 . 14 G H5' H 4.43 0.02 2 209 . 14 G H5'' H 4.12 0.02 2 210 . 14 G C1' C 92.4 0.2 1 211 . 14 G C2' C 76.7 0.2 1 212 . 14 G C3' C 74.9 0.2 1 213 . 14 G C4' C 83.2 0.2 1 214 . 14 G C5' C 65.9 0.2 1 215 . 15 C H41 H 7.11 0.02 2 216 . 15 C H5 H 5.72 0.02 1 217 . 15 C H6 H 7.77 0.02 1 218 . 15 C C5 C 98.6 0.2 1 219 . 15 C C6 C 144.5 0.2 1 220 . 15 C N4 N 97.1 0.2 1 221 . 15 C H1' H 5.68 0.02 1 222 . 15 C H2' H 4.38 0.02 1 223 . 15 C H3' H 4.32 0.02 1 224 . 15 C H4' H 4.15 0.02 1 225 . 15 C H5' H 4.15 0.02 2 226 . 15 C H5'' H 3.98 0.02 2 227 . 15 C C1' C 92.0 0.2 1 228 . 15 C C2' C 76.4 0.2 1 229 . 15 C C3' C 76.0 0.2 1 230 . 15 C C4' C 84.2 0.2 1 231 . 15 C C5' C 66.6 0.2 1 232 . 16 A H2 H 7.92 0.02 1 233 . 16 A H8 H 8.01 0.02 1 234 . 16 A C2 C 155.0 0.2 1 235 . 16 A C8 C 141.1 0.2 1 236 . 16 A H1' H 5.63 0.02 1 237 . 16 A H2' H 4.38 0.02 1 238 . 16 A H3' H 4.57 0.02 1 239 . 16 A H4' H 4.22 0.02 1 240 . 16 A H5' H 3.77 0.02 2 241 . 16 A H5'' H 3.88 0.02 2 242 . 16 A C1' C 91.7 0.2 1 243 . 16 A C2' C 77.5 0.2 1 244 . 16 A C3' C 76.6 0.2 1 245 . 16 A C4' C 84.4 0.2 1 246 . 16 A C5' C 66.9 0.2 1 247 . 17 A H2 H 8.03 0.02 1 248 . 17 A H8 H 8.27 0.02 1 249 . 17 A C2 C 155.3 0.2 1 250 . 17 A C8 C 142.8 0.2 1 251 . 17 A H1' H 6.10 0.02 1 252 . 17 A H2' H 4.77 0.02 1 253 . 17 A H3' H 5.43 0.02 1 254 . 17 A H4' H 4.55 0.02 1 255 . 17 A H5' H 4.44 0.02 2 256 . 17 A H5'' H 4.53 0.02 2 257 . 17 A C1' C 97.8 0.2 1 258 . 17 A C2' C 77.4 0.2 1 259 . 17 A C3' C 75.5 0.2 1 260 . 17 A C4' C 83.6 0.2 1 261 . 17 A C5' C 67.4 0.2 1 262 . 18 G H1 H 12.27 0.02 1 263 . 18 G H8 H 7.82 0.02 1 264 . 18 G C8 C 137.9 0.2 1 265 . 18 G N1 N 146.9 0.2 1 266 . 18 G H1' H 4.07 0.02 1 267 . 18 G H2' H 4.42 0.02 1 268 . 18 G H3' H 4.30 0.02 1 269 . 18 G H4' H 4.40 0.02 1 270 . 18 G H5' H 4.58 0.02 2 271 . 18 G H5'' H 4.22 0.02 2 272 . 18 G C1' C 92.9 0.2 1 273 . 18 G C2' C 75.4 0.2 1 274 . 18 G C3' C 74.8 0.2 1 275 . 18 G C4' C 83.3 0.2 1 276 . 18 G C5' C 66.9 0.2 1 277 . 19 A H2 H 7.79 0.02 1 278 . 19 A H8 H 7.79 0.02 1 279 . 19 A C2 C 154.2 0.2 1 280 . 19 A C8 C 139.9 0.2 1 281 . 19 A H1' H 6.02 0.02 1 282 . 19 A H2' H 4.50 0.02 1 283 . 19 A H3' H 4.64 0.02 1 284 . 19 A H4' H 4.50 0.02 1 285 . 19 A H5' H 4.13 0.02 2 286 . 19 A H5'' H 4.56 0.02 2 287 . 19 A C1' C 93.3 0.2 1 288 . 19 A C2' C 76.1 0.2 1 289 . 19 A C3' C 72.7 0.2 1 290 . 19 A C4' C 82.6 0.2 1 291 . 19 A C5' C 64.9 0.2 1 292 . 20 C H41 H 8.55 0.02 2 293 . 20 C H42 H 6.99 0.02 2 294 . 20 C H5 H 5.22 0.02 1 295 . 20 C H6 H 7.42 0.02 1 296 . 20 C C5 C 97.8 0.2 1 297 . 20 C C6 C 141.0 0.0 1 298 . 20 C N4 N 98.3 0.2 1 299 . 20 C H1' H 5.51 0.02 1 300 . 20 C H2' H 4.41 0.02 1 301 . 20 C H3' H 4.40 0.02 1 302 . 20 C H4' H 4.41 0.02 1 303 . 20 C H5' H 4.07 0.02 2 304 . 20 C H5'' H 4.51 0.02 2 305 . 20 C C1' C 93.6 0.2 1 306 . 20 C C2' C 76.4 0.2 1 307 . 20 C C3' C 73.1 0.2 1 308 . 20 C C4' C 82.1 0.2 1 309 . 20 C C5' C 65.3 0.2 1 310 . 21 G H1 H 11.09 0.02 1 311 . 21 G H21 H 6.35 0.02 1 312 . 21 G H8 H 7.53 0.02 1 313 . 21 G C8 C 137.6 0.2 1 314 . 21 G N1 N 143.9 0.2 1 315 . 21 G N2 N 72.9 0.2 1 316 . 21 G H1' H 5.80 0.02 1 317 . 21 G H2' H 4.65 0.02 1 318 . 21 G H3' H 4.28 0.02 1 319 . 21 G H4' H 4.52 0.02 1 320 . 21 G H5' H 4.08 0.02 2 321 . 21 G H5'' H 4.41 0.02 2 322 . 21 G C1' C 94.0 0.2 1 323 . 21 G C2' C 75.6 0.2 1 324 . 21 G C3' C 74.1 0.2 1 325 . 21 G C4' C 83.1 0.2 1 326 . 21 G C5' C 64.8 0.2 1 327 . 22 C H41 H 7.97 0.02 2 328 . 22 C H42 H 6.99 0.02 2 329 . 22 C H5 H 5.23 0.02 1 330 . 22 C H6 H 7.55 0.02 1 331 . 22 C C5 C 97.7 0.2 1 332 . 22 C C6 C 140.5 0.2 1 333 . 22 C N4 N 98.8 0.2 1 334 . 22 C H1' H 5.60 0.02 1 335 . 22 C H2' H 4.47 0.02 1 336 . 22 C H3' H 4.52 0.02 1 337 . 22 C H4' H 4.47 0.02 1 338 . 22 C H5' H 4.11 0.02 2 339 . 22 C H5'' H 4.52 0.02 2 340 . 22 C C1' C 94.2 0.2 1 341 . 22 C C2' C 75.7 0.2 1 342 . 22 C C3' C 72.0 0.2 1 343 . 22 C C4' C 82.5 0.2 1 344 . 22 C C5' C 64.8 0.2 1 345 . 23 A H2 H 7.65 0.02 1 346 . 23 A H8 H 8.18 0.02 1 347 . 23 A C2 C 154.9 0.2 1 348 . 23 A C8 C 140.2 0.2 1 349 . 23 A H1' H 6.03 0.02 1 350 . 23 A H2' H 4.03 0.02 1 351 . 23 A H3' H 4.65 0.02 1 352 . 23 A H4' H 4.20 0.02 1 353 . 23 A C1' C 91.0 0.2 1 354 . 23 A C2' C 76.3 0.2 1 355 . 23 A C5' C 87.8 0.2 1 356 . 24 G H1 H 8.98 0.02 1 357 . 24 G H8 H 7.38 0.02 1 358 . 24 G C8 C 142.3 0.2 1 359 . 24 G N1 N 146.0 0.2 1 360 . 24 G H1' H 4.63 0.02 1 361 . 24 G H2' H 5.14 0.02 1 362 . 24 G H3' H 4.45 0.02 1 363 . 24 G H4' H 3.44 0.02 1 364 . 24 G H5' H 3.81 0.02 2 365 . 24 G H5'' H 4.04 0.02 2 366 . 24 G C1' C 90.8 0.2 1 367 . 24 G C2' C 71.5 0.2 1 368 . 24 G C3' C 79.2 0.2 1 369 . 24 G C4' C 85.5 0.2 1 370 . 24 G C5' C 69.0 0.2 1 371 . 25 A H2 H 8.32 0.02 1 372 . 25 A H8 H 8.67 0.02 1 373 . 25 A C2 C 156.4 0.2 1 374 . 25 A C8 C 143.1 0.2 1 375 . 25 A H1' H 6.24 0.02 1 376 . 25 A H2' H 4.63 0.02 1 377 . 25 A H3' H 4.60 0.02 1 378 . 25 A H4' H 5.24 0.02 1 379 . 25 A H5' H 4.32 0.02 2 380 . 25 A H5'' H 4.04 0.02 2 381 . 25 A C1' C 89.7 0.2 1 382 . 25 A C2' C 80.1 0.2 1 383 . 25 A C3' C 78.3 0.2 1 384 . 25 A C4' C 85.4 0.2 1 385 . 26 G H1 H 10.92 0.02 9 386 . 26 G H8 H 8.40 0.02 1 387 . 26 G C8 C 139.0 0.2 9 388 . 26 G N1 N 147.4 0.2 1 389 . 26 G H1' H 6.17 0.02 1 390 . 26 G H2' H 5.14 0.02 1 391 . 26 G H3' H 5.08 0.02 1 392 . 26 G H4' H 4.88 0.02 1 393 . 26 G H5' H 4.48 0.02 2 394 . 26 G H5'' H 4.31 0.02 2 395 . 26 G C1' C 86.1 0.2 1 396 . 26 G C2' C 77.5 0.2 1 397 . 26 G C3' C 82.1 0.2 1 398 . 26 G C4' C 87.2 0.2 1 399 . 27 A H2 H 8.14 0.02 1 400 . 27 A H8 H 8.25 0.02 1 401 . 27 A C2 C 155.3 0.2 1 402 . 27 A C8 C 143.7 0.2 1 403 . 27 A H1' H 6.30 0.02 1 404 . 27 A H2' H 4.90 0.02 1 405 . 27 A H3' H 4.62 0.02 1 406 . 27 A H4' H 4.82 0.02 1 407 . 27 A H5' H 4.26 0.02 2 408 . 27 A C1' C 94.6 0.2 1 409 . 27 A C4' C 81.7 0.2 1 410 . 28 U H3 H 11.79 0.02 9 411 . 28 U H5 H 4.95 0.02 9 412 . 28 U H6 H 7.35 0.02 1 413 . 28 U C5 C 105.5 0.2 9 414 . 28 U C6 C 142.5 0.2 1 415 . 28 U N1 N 158.4 0.2 1 416 . 28 U H1' H 5.73 0.02 1 417 . 28 U H2' H 4.53 0.02 1 418 . 28 U H4' H 4.40 0.02 1 419 . 28 U H5' H 4.36 0.02 2 420 . 28 U C1' C 93.0 0.2 1 421 . 29 G H1 H 12.47 0.02 1 422 . 29 G H8 H 7.74 0.02 1 423 . 29 G C8 C 137.2 0.2 1 424 . 29 G N1 N 147.0 0.2 1 425 . 29 G H1' H 5.52 0.02 1 426 . 29 G H2' H 4.31 0.02 1 427 . 29 G H3' H 4.55 0.02 1 428 . 29 G H4' H 4.50 0.02 1 429 . 29 G H5' H 4.30 0.02 2 430 . 29 G C1' C 94.2 0.2 1 431 . 29 G C2' C 75.8 0.2 1 432 . 29 G C3' C 74.0 0.2 1 433 . 29 G C4' C 83.0 0.2 1 434 . 29 G C5' C 68.6 0.2 1 435 . 30 G H1 H 13.25 0.02 1 436 . 30 G H8 H 7.21 0.02 1 437 . 30 G C8 C 136.7 0.2 1 438 . 30 G N1 N 148.2 0.2 1 439 . 30 G H1' H 5.81 0.02 1 440 . 30 G H2' H 4.53 0.02 1 441 . 30 G H3' H 4.56 0.02 1 442 . 30 G H4' H 4.51 0.02 1 443 . 30 G H5' H 4.57 0.02 2 444 . 30 G H5'' H 4.11 0.02 2 445 . 30 G C1' C 93.6 0.2 1 446 . 30 G C2' C 75.8 0.2 1 447 . 30 G C3' C 72.9 0.2 1 448 . 30 G C4' C 82.6 0.2 1 449 . 30 G C5' C 65.1 0.2 1 450 . 31 U H3 H 14.20 0.02 1 451 . 31 U H5 H 5.10 0.02 1 452 . 31 U H6 H 7.66 0.02 1 453 . 31 U C5 C 102.9 0.2 1 454 . 31 U C6 C 142.3 0.2 1 455 . 31 U N1 N 162.5 0.2 1 456 . 31 U H1' H 5.58 0.02 1 457 . 31 U H2' H 4.57 0.02 1 458 . 31 U H3' H 4.51 0.02 1 459 . 31 U H4' H 4.46 0.02 1 460 . 31 U H5' H 4.13 0.02 2 461 . 31 U H5'' H 4.44 0.02 2 462 . 31 U C1' C 94.3 0.2 1 463 . 31 U C2' C 75.6 0.2 1 464 . 31 U C3' C 72.7 0.2 1 465 . 31 U C4' C 82.2 0.2 1 466 . 31 U C5' C 65.3 0.2 1 467 . 32 C H41 H 8.64 0.02 2 468 . 32 C H42 H 7.13 0.02 2 469 . 32 C H5 H 5.69 0.02 1 470 . 32 C H6 H 7.84 0.02 1 471 . 32 C C5 C 98.1 0.2 1 472 . 32 C C6 C 142.1 0.2 1 473 . 32 C N4 N 98.2 0.2 1 474 . 32 C H1' H 5.60 0.02 1 475 . 32 C H2' H 4.40 0.02 1 476 . 32 C H3' H 4.68 0.02 1 477 . 32 C H4' H 4.48 0.02 1 478 . 32 C H5' H 4.15 0.02 2 479 . 32 C H5'' H 4.52 0.02 2 480 . 32 C C1' C 94.3 0.2 1 481 . 32 C C2' C 76.8 0.2 1 482 . 32 C C3' C 74.5 0.2 1 483 . 32 C C4' C 83.0 0.2 1 484 . 32 C C5' C 64.6 0.2 1 485 . 33 C H5 H 5.52 0.02 1 486 . 33 C H6 H 7.70 0.02 1 487 . 33 C C5 C 98.7 0.2 1 488 . 33 C C6 C 143.5 0.2 1 489 . 33 C H1' H 5.77 0.02 1 490 . 33 C H2' H 4.03 0.02 1 491 . 33 C H3' H 4.20 0.02 1 492 . 33 C H4' H 4.20 0.02 1 493 . 33 C H5' H 4.06 0.02 2 494 . 33 C H5'' H 4.54 0.02 2 495 . 33 C C1' C 93.1 0.2 1 496 . 33 C C2' C 77.9 0.2 1 497 . 33 C C3' C 70.2 0.2 1 498 . 33 C C4' C 83.8 0.2 1 499 . 33 C C5' C 65.6 0.2 1 stop_ save_ save_SHIFT_SET_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $SAMPLE_1 $SAMPLE_2 $SAMPLE_3 $SAMPLE_4 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $Chemical_shift_reference _Mol_system_component_name 'L30 PROTEIN' _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 ALA HA H 4.40 0.02 1 2 . 1 ALA HB H 1.50 0.02 1 3 . 1 ALA CA C 51.1 0.2 1 4 . 1 ALA CB C 18.2 0.2 1 5 . 2 PRO HA H 4.54 0.02 1 6 . 2 PRO HB2 H 2.32 0.02 1 7 . 2 PRO HB3 H 1.87 0.02 1 8 . 2 PRO HG2 H 2.05 0.02 1 9 . 2 PRO HG3 H 2.05 0.02 1 10 . 2 PRO HD2 H 3.71 0.02 2 11 . 2 PRO HD3 H 3.61 0.02 2 12 . 2 PRO C C 177.0 0.2 1 13 . 2 PRO CA C 63.2 0.2 1 14 . 2 PRO CB C 32.3 0.2 1 15 . 2 PRO CG C 27.7 0.2 1 16 . 2 PRO CD C 50.5 0.2 1 17 . 3 VAL H H 8.37 0.02 1 18 . 3 VAL HA H 4.08 0.02 1 19 . 3 VAL HB H 2.06 0.02 1 20 . 3 VAL HG1 H 0.96 0.02 2 21 . 3 VAL HG2 H 0.98 0.02 2 22 . 3 VAL C C 176.7 0.2 1 23 . 3 VAL CA C 62.6 0.2 1 24 . 3 VAL CB C 33.0 0.2 1 25 . 3 VAL CG1 C 21.6 0.2 1 26 . 3 VAL CG2 C 21.1 0.2 1 27 . 3 VAL N N 121.3 0.2 1 28 . 4 LYS H H 8.50 0.02 1 29 . 4 LYS HA H 4.35 0.02 1 30 . 4 LYS HB2 H 1.84 0.02 1 31 . 4 LYS HB3 H 1.71 0.02 1 32 . 4 LYS HG2 H 1.45 0.02 4 33 . 4 LYS HE2 H 2.95 0.02 1 34 . 4 LYS C C 176.9 0.2 1 35 . 4 LYS CA C 56.6 0.2 1 36 . 4 LYS CB C 33.2 0.2 1 37 . 4 LYS CG C 25.9 0.2 1 38 . 4 LYS CE C 42.4 0.2 1 39 . 4 LYS N N 125.8 0.2 1 40 . 5 SER H H 8.34 0.02 1 41 . 5 SER HA H 4.41 0.02 1 42 . 5 SER HB2 H 3.91 0.02 2 43 . 5 SER HB3 H 3.85 0.02 2 44 . 5 SER C C 175.2 0.2 1 45 . 5 SER CA C 58.7 0.2 1 46 . 5 SER CB C 64.1 0.2 1 47 . 5 SER N N 117.3 0.2 1 48 . 6 GLN H H 8.60 0.02 1 49 . 6 GLN HA H 4.31 0.02 1 50 . 6 GLN HB2 H 2.10 0.02 1 51 . 6 GLN HB3 H 1.95 0.02 1 52 . 6 GLN HG2 H 2.33 0.02 1 53 . 6 GLN HG3 H 2.33 0.02 1 54 . 6 GLN HE21 H 6.59 0.02 2 55 . 6 GLN HE22 H 7.47 0.02 2 56 . 6 GLN C C 176.5 0.2 1 57 . 6 GLN CA C 56.4 0.2 1 58 . 6 GLN CB C 29.3 0.2 1 59 . 6 GLN CG C 34.3 0.2 1 60 . 6 GLN CD C 180.6 0.2 1 61 . 6 GLN N N 122.8 0.2 1 62 . 6 GLN NE2 N 111.9 0.2 1 63 . 7 GLU H H 8.34 0.02 1 64 . 7 GLU HA H 4.29 0.02 1 65 . 7 GLU HB2 H 2.00 0.02 1 66 . 7 GLU HB3 H 1.95 0.02 1 67 . 7 GLU HG2 H 2.25 0.02 1 68 . 7 GLU HG3 H 2.25 0.02 1 69 . 7 GLU C C 177.6 0.2 1 70 . 7 GLU CA C 57.7 0.2 1 71 . 7 GLU CB C 30.5 0.2 1 72 . 7 GLU CG C 36.4 0.2 1 73 . 7 GLU N N 121.7 0.2 1 74 . 8 SER H H 8.39 0.02 1 75 . 8 SER HA H 4.46 0.02 1 76 . 8 SER HB2 H 4.10 0.02 1 77 . 8 SER HB3 H 3.97 0.02 1 78 . 8 SER C C 176.8 0.2 1 79 . 8 SER CA C 59.2 0.2 1 80 . 8 SER CB C 64.5 0.2 1 81 . 8 SER N N 116.9 0.2 1 82 . 9 ILE H H 8.53 0.02 1 83 . 9 ILE HA H 3.86 0.02 1 84 . 9 ILE HB H 1.98 0.02 1 85 . 9 ILE HG12 H 1.28 0.02 2 86 . 9 ILE HG13 H 1.38 0.02 2 87 . 9 ILE HG2 H 0.98 0.02 1 88 . 9 ILE HD1 H 0.59 0.02 1 89 . 9 ILE C C 177.2 0.2 1 90 . 9 ILE CA C 63.3 0.2 1 91 . 9 ILE CB C 37.9 0.2 1 92 . 9 ILE CG1 C 29.1 0.2 1 93 . 9 ILE CG2 C 17.6 0.2 1 94 . 9 ILE CD1 C 13.6 0.2 1 95 . 9 ILE N N 122.2 0.2 1 96 . 10 ASN H H 8.30 0.02 1 97 . 10 ASN HA H 4.24 0.02 1 98 . 10 ASN HB2 H 2.85 0.02 1 99 . 10 ASN HB3 H 2.85 0.02 1 100 . 10 ASN HD21 H 6.82 0.02 2 101 . 10 ASN HD22 H 7.46 0.02 2 102 . 10 ASN C C 178.6 0.2 1 103 . 10 ASN CA C 57.2 0.2 1 104 . 10 ASN CB C 37.2 0.2 1 105 . 10 ASN CG C 175.7 0.2 1 106 . 10 ASN N N 120.9 0.2 1 107 . 10 ASN ND2 N 109.1 0.2 1 108 . 11 GLN H H 8.04 0.02 1 109 . 11 GLN HA H 4.10 0.02 1 110 . 11 GLN HB2 H 2.24 0.02 1 111 . 11 GLN HB3 H 2.16 0.02 1 112 . 11 GLN HG2 H 1.94 0.02 1 113 . 11 GLN HG3 H 2.44 0.02 1 114 . 11 GLN HE21 H 6.82 0.02 2 115 . 11 GLN HE22 H 7.45 0.02 2 116 . 11 GLN C C 179.1 0.2 1 117 . 11 GLN CA C 59.1 0.2 1 118 . 11 GLN CB C 28.6 0.2 1 119 . 11 GLN CG C 34.3 0.2 1 120 . 11 GLN CD C 180.4 0.2 1 121 . 11 GLN N N 120.4 0.2 1 122 . 11 GLN NE2 N 111.4 0.2 1 123 . 12 LYS H H 7.83 0.02 1 124 . 12 LYS HA H 4.12 0.02 1 125 . 12 LYS HB2 H 1.79 0.02 2 126 . 12 LYS HB3 H 1.83 0.02 2 127 . 12 LYS HG2 H 1.54 0.02 4 128 . 12 LYS HG3 H 1.64 0.02 4 129 . 12 LYS HD2 H 0.00 0.02 4 130 . 12 LYS HE2 H 3.06 0.02 2 131 . 12 LYS C C 180.4 0.2 1 132 . 12 LYS CA C 59.7 0.2 1 133 . 12 LYS CB C 33.7 0.2 1 134 . 12 LYS CG C 26.3 0.2 1 135 . 12 LYS N N 119.7 0.2 1 136 . 13 LEU H H 8.51 0.02 1 137 . 13 LEU HA H 3.82 0.02 1 138 . 13 LEU HB2 H 1.31 0.02 1 139 . 13 LEU HB3 H 1.63 0.02 1 140 . 13 LEU HG H 1.42 0.02 1 141 . 13 LEU HD1 H 0.51 0.02 1 142 . 13 LEU HD2 H 0.43 0.02 1 143 . 13 LEU C C 178.5 0.2 1 144 . 13 LEU CA C 57.3 0.2 1 145 . 13 LEU CB C 41.8 0.2 1 146 . 13 LEU CG C 27.4 0.2 1 147 . 13 LEU CD1 C 25.0 0.2 1 148 . 13 LEU CD2 C 23.9 0.2 1 149 . 13 LEU N N 120.0 0.2 1 150 . 14 ALA H H 8.04 0.02 1 151 . 14 ALA HA H 3.93 0.02 1 152 . 14 ALA HB H 1.48 0.02 1 153 . 14 ALA C C 180.8 0.2 1 154 . 14 ALA CA C 55.5 0.2 1 155 . 14 ALA CB C 17.9 0.2 1 156 . 14 ALA N N 121.5 0.2 1 157 . 15 LEU H H 7.36 0.02 1 158 . 15 LEU HA H 4.29 0.02 1 159 . 15 LEU HB2 H 1.79 0.02 1 160 . 15 LEU HB3 H 1.55 0.02 1 161 . 15 LEU HG H 1.64 0.02 1 162 . 15 LEU HD1 H 0.98 0.02 1 163 . 15 LEU HD2 H 0.88 0.02 1 164 . 15 LEU C C 180.9 0.2 1 165 . 15 LEU CA C 57.5 0.2 1 166 . 15 LEU CB C 42.3 0.2 1 167 . 15 LEU CG C 28.1 0.2 1 168 . 15 LEU CD1 C 25.0 0.2 1 169 . 15 LEU CD2 C 24.7 0.2 1 170 . 15 LEU N N 116.4 0.2 1 171 . 16 VAL H H 7.85 0.02 1 172 . 16 VAL HA H 3.64 0.02 1 173 . 16 VAL HB H 2.26 0.02 1 174 . 16 VAL HG1 H 1.20 0.02 1 175 . 16 VAL HG2 H 0.95 0.02 1 176 . 16 VAL C C 178.1 0.2 1 177 . 16 VAL CA C 66.5 0.2 1 178 . 16 VAL CB C 31.6 0.2 1 179 . 16 VAL CG1 C 23.6 0.2 1 180 . 16 VAL CG2 C 22.1 0.2 1 181 . 16 VAL N N 124.2 0.2 1 182 . 17 ILE H H 7.87 0.02 1 183 . 17 ILE HA H 3.70 0.02 1 184 . 17 ILE HB H 1.91 0.02 1 185 . 17 ILE HG12 H 0.93 0.02 2 186 . 17 ILE HG13 H 1.21 0.02 2 187 . 17 ILE HG2 H 0.67 0.02 1 188 . 17 ILE HD1 H 0.02 0.02 1 189 . 17 ILE C C 179.0 0.2 1 190 . 17 ILE CA C 62.9 0.2 1 191 . 17 ILE CB C 36.4 0.2 1 192 . 17 ILE CG1 C 27.4 0.2 1 193 . 17 ILE CG2 C 17.3 0.2 1 194 . 17 ILE CD1 C 9.9 0.2 1 195 . 17 ILE N N 118.9 0.2 1 196 . 18 LYS H H 7.55 0.02 1 197 . 18 LYS HA H 4.29 0.02 1 198 . 18 LYS HB2 H 1.92 0.02 1 199 . 18 LYS HB3 H 1.92 0.02 1 200 . 18 LYS HG2 H 1.52 0.02 4 201 . 18 LYS C C 178.0 0.2 1 202 . 18 LYS CA C 58.5 0.2 1 203 . 18 LYS CB C 34.0 0.2 1 204 . 18 LYS CG C 25.6 0.2 1 205 . 18 LYS N N 117.5 0.2 1 206 . 19 SER H H 7.94 0.02 1 207 . 19 SER HA H 4.95 0.02 1 208 . 19 SER HB2 H 4.12 0.02 1 209 . 19 SER HB3 H 3.83 0.02 1 210 . 19 SER C C 174.5 0.2 1 211 . 19 SER CA C 59.2 0.2 1 212 . 19 SER CB C 67.7 0.2 1 213 . 19 SER N N 110.4 0.2 1 214 . 20 GLY H H 8.99 0.02 1 215 . 20 GLY HA2 H 4.52 0.02 2 216 . 20 GLY HA3 H 3.74 0.02 2 217 . 20 GLY C C 173.6 0.2 1 218 . 20 GLY CA C 44.1 0.2 1 219 . 20 GLY N N 115.2 0.2 1 220 . 21 LYS H H 9.00 0.02 1 221 . 21 LYS HA H 4.98 0.02 1 222 . 21 LYS HB2 H 1.66 0.02 1 223 . 21 LYS HB3 H 1.72 0.02 1 224 . 21 LYS HG2 H 1.49 0.02 4 225 . 21 LYS HG3 H 1.37 0.02 4 226 . 21 LYS HE2 H 2.96 0.02 2 227 . 21 LYS C C 175.7 0.2 1 228 . 21 LYS CA C 55.5 0.2 1 229 . 21 LYS CB C 36.8 0.2 1 230 . 21 LYS CG C 25.6 0.2 1 231 . 21 LYS N N 119.4 0.2 1 232 . 22 TYR H H 8.55 0.02 1 233 . 22 TYR HA H 5.53 0.02 1 234 . 22 TYR HB2 H 2.78 0.02 1 235 . 22 TYR HB3 H 2.78 0.02 1 236 . 22 TYR HD1 H 6.55 0.02 1 237 . 22 TYR HD2 H 6.55 0.02 1 238 . 22 TYR HE1 H 6.87 0.02 1 239 . 22 TYR HE2 H 6.87 0.02 1 240 . 22 TYR C C 173.1 0.2 1 241 . 22 TYR CA C 56.3 0.2 1 242 . 22 TYR CB C 41.2 0.2 1 243 . 22 TYR CD1 C 133.4 0.2 1 244 . 22 TYR CD2 C 133.4 0.2 1 245 . 22 TYR CE1 C 118.7 0.2 1 246 . 22 TYR CE2 C 118.7 0.2 1 247 . 22 TYR N N 123.0 0.2 1 248 . 23 THR H H 9.13 0.02 1 249 . 23 THR HA H 4.64 0.02 1 250 . 23 THR HB H 3.92 0.02 1 251 . 23 THR HG2 H 1.06 0.02 1 252 . 23 THR C C 171.1 0.2 1 253 . 23 THR CA C 61.1 0.2 1 254 . 23 THR CB C 70.6 0.2 1 255 . 23 THR CG2 C 19.2 0.2 1 256 . 23 THR N N 113.3 0.2 1 257 . 24 LEU H H 8.65 0.02 1 258 . 24 LEU HA H 4.80 0.02 1 259 . 24 LEU HB2 H 1.89 0.02 1 260 . 24 LEU HB3 H 1.07 0.02 1 261 . 24 LEU HG H 1.91 0.02 1 262 . 24 LEU HD1 H 0.83 0.02 1 263 . 24 LEU HD2 H 0.78 0.02 1 264 . 24 LEU C C 176.7 0.2 1 265 . 24 LEU CA C 53.5 0.2 1 266 . 24 LEU CB C 43.6 0.2 1 267 . 24 LEU CG C 27.1 0.2 1 268 . 24 LEU CD1 C 25.7 0.2 2 269 . 24 LEU CD2 C 26.8 0.2 2 270 . 24 LEU N N 125.3 0.2 1 271 . 25 GLY H H 8.20 0.02 1 272 . 25 GLY HA2 H 4.62 0.02 2 273 . 25 GLY HA3 H 4.40 0.02 2 274 . 25 GLY C C 176.8 0.2 1 275 . 25 GLY CA C 44.4 0.2 1 276 . 25 GLY N N 107.2 0.2 1 277 . 26 TYR H H 9.57 0.02 1 278 . 26 TYR HA H 4.00 0.02 1 279 . 26 TYR HB2 H 3.04 0.02 1 280 . 26 TYR HB3 H 2.82 0.02 1 281 . 26 TYR HD1 H 7.06 0.02 1 282 . 26 TYR HD2 H 7.06 0.02 1 283 . 26 TYR HE1 H 6.93 0.02 1 284 . 26 TYR HE2 H 6.93 0.02 1 285 . 26 TYR C C 176.5 0.2 1 286 . 26 TYR CA C 63.7 0.2 1 287 . 26 TYR CB C 35.9 0.2 1 288 . 26 TYR CD1 C 133.2 0.2 1 289 . 26 TYR CD2 C 133.2 0.2 1 290 . 26 TYR CE1 C 119.3 0.2 1 291 . 26 TYR CE2 C 119.3 0.2 1 292 . 26 TYR N N 124.9 0.2 1 293 . 27 LYS H H 9.55 0.02 1 294 . 27 LYS HA H 3.65 0.02 1 295 . 27 LYS HB2 H 1.69 0.02 2 296 . 27 LYS HB3 H 1.74 0.02 2 297 . 27 LYS HG2 H 1.48 0.02 4 298 . 27 LYS HD2 H 2.02 0.02 2 299 . 27 LYS HD3 H 2.18 0.02 2 300 . 27 LYS HE2 H 3.14 0.02 1 301 . 27 LYS HE3 H 3.00 0.02 1 302 . 27 LYS C C 181.0 0.2 1 303 . 27 LYS CA C 61.5 0.2 1 304 . 27 LYS CB C 31.3 0.2 1 305 . 27 LYS CG C 26.5 0.2 1 306 . 27 LYS CE C 42.0 0.2 1 307 . 27 LYS N N 119.9 0.2 1 308 . 28 SER H H 9.73 0.02 1 309 . 28 SER HA H 3.91 0.02 1 310 . 28 SER HB2 H 4.01 0.02 2 311 . 28 SER HB3 H 3.82 0.02 2 312 . 28 SER C C 179.2 0.2 1 313 . 28 SER CA C 61.3 0.2 1 314 . 28 SER N N 117.8 0.2 1 315 . 29 THR H H 8.41 0.02 1 316 . 29 THR HA H 3.71 0.02 1 317 . 29 THR HB H 4.17 0.02 1 318 . 29 THR HG2 H 0.93 0.02 1 319 . 29 THR C C 178.4 0.2 1 320 . 29 THR CA C 68.5 0.2 1 321 . 29 THR CB C 66.8 0.2 1 322 . 29 THR CG2 C 23.0 0.2 1 323 . 29 THR N N 125.8 0.2 1 324 . 30 VAL H H 8.86 0.02 1 325 . 30 VAL HA H 3.18 0.02 1 326 . 30 VAL HB H 1.74 0.02 1 327 . 30 VAL HG1 H 0.45 0.02 1 328 . 30 VAL HG2 H 0.38 0.02 1 329 . 30 VAL C C 178.2 0.2 1 330 . 30 VAL CA C 68.6 0.2 1 331 . 30 VAL CB C 31.3 0.2 1 332 . 30 VAL CG1 C 23.9 0.2 1 333 . 30 VAL CG2 C 21.2 0.2 1 334 . 30 VAL N N 125.3 0.2 1 335 . 31 LYS H H 7.62 0.02 1 336 . 31 LYS HA H 3.81 0.02 1 337 . 31 LYS HB2 H 1.83 0.02 1 338 . 31 LYS HB3 H 1.76 0.02 1 339 . 31 LYS HG2 H 1.52 0.02 4 340 . 31 LYS HG3 H 1.71 0.02 4 341 . 31 LYS HE2 H 2.75 0.02 2 342 . 31 LYS HE3 H 2.87 0.02 2 343 . 31 LYS C C 178.6 0.2 1 344 . 31 LYS CA C 61.1 0.2 1 345 . 31 LYS CB C 32.6 0.2 1 346 . 31 LYS CG C 26.7 0.2 1 347 . 31 LYS N N 119.6 0.2 1 348 . 32 SER H H 7.96 0.02 1 349 . 32 SER HA H 4.12 0.02 1 350 . 32 SER HB2 H 4.01 0.02 1 351 . 32 SER HB3 H 3.64 0.02 1 352 . 32 SER C C 175.8 0.2 1 353 . 32 SER CA C 62.1 0.2 1 354 . 32 SER CB C 63.5 0.2 1 355 . 32 SER N N 114.7 0.2 1 356 . 33 LEU H H 7.87 0.02 1 357 . 33 LEU HA H 3.97 0.02 1 358 . 33 LEU HB2 H 1.37 0.02 1 359 . 33 LEU HB3 H 1.70 0.02 1 360 . 33 LEU HG H 1.66 0.02 1 361 . 33 LEU HD1 H 0.85 0.02 1 362 . 33 LEU HD2 H 0.75 0.02 1 363 . 33 LEU C C 181.0 0.2 1 364 . 33 LEU CA C 59.8 0.2 1 365 . 33 LEU CB C 43.1 0.2 1 366 . 33 LEU CG C 27.9 0.2 1 367 . 33 LEU CD1 C 27.8 0.2 1 368 . 33 LEU CD2 C 24.1 0.2 1 369 . 33 LEU N N 124.3 0.2 1 370 . 34 ARG H H 8.58 0.02 1 371 . 34 ARG HA H 4.00 0.02 1 372 . 34 ARG HB2 H 1.85 0.02 1 373 . 34 ARG HB3 H 1.80 0.02 1 374 . 34 ARG HG2 H 1.43 0.02 2 375 . 34 ARG HG3 H 1.55 0.02 2 376 . 34 ARG HD2 H 2.83 0.02 2 377 . 34 ARG HD3 H 2.90 0.02 2 378 . 34 ARG HE H 6.83 0.02 1 379 . 34 ARG C C 179.2 0.2 1 380 . 34 ARG CA C 59.8 0.2 1 381 . 34 ARG CB C 30.0 0.2 1 382 . 34 ARG CD C 43.9 0.2 1 383 . 34 ARG N N 121.4 0.2 1 384 . 34 ARG NE N 83.9 0.2 1 385 . 35 GLN H H 7.85 0.02 1 386 . 35 GLN HA H 4.30 0.02 1 387 . 35 GLN HB2 H 2.23 0.02 1 388 . 35 GLN HB3 H 1.83 0.02 1 389 . 35 GLN HG2 H 2.59 0.02 2 390 . 35 GLN HG3 H 2.40 0.02 2 391 . 35 GLN HE21 H 6.83 0.02 2 392 . 35 GLN HE22 H 7.28 0.02 2 393 . 35 GLN C C 177.0 0.2 1 394 . 35 GLN CA C 56.0 0.2 1 395 . 35 GLN CB C 29.5 0.2 1 396 . 35 GLN CG C 34.3 0.2 1 397 . 35 GLN CD C 180.4 0.2 1 398 . 35 GLN N N 113.9 0.2 1 399 . 35 GLN NE2 N 110.4 0.2 1 400 . 36 GLY H H 7.81 0.02 1 401 . 36 GLY HA2 H 3.96 0.02 2 402 . 36 GLY HA3 H 4.07 0.02 2 403 . 36 GLY C C 176.0 0.2 1 404 . 36 GLY CA C 46.9 0.2 1 405 . 36 GLY N N 108.9 0.2 1 406 . 37 LYS H H 8.13 0.02 1 407 . 37 LYS HA H 4.31 0.02 1 408 . 37 LYS HB2 H 1.91 0.02 2 409 . 37 LYS HB3 H 1.52 0.02 2 410 . 37 LYS HG2 H 1.64 0.02 4 411 . 37 LYS HG3 H 1.32 0.02 4 412 . 37 LYS C C 176.8 0.2 1 413 . 37 LYS CA C 56.4 0.2 1 414 . 37 LYS CB C 35.4 0.2 1 415 . 37 LYS N N 116.1 0.2 1 416 . 38 SER H H 7.27 0.02 1 417 . 38 SER HA H 4.11 0.02 1 418 . 38 SER HB2 H 3.42 0.02 2 419 . 38 SER HB3 H 3.54 0.02 2 420 . 38 SER C C 176.2 0.2 1 421 . 38 SER CA C 59.0 0.2 1 422 . 38 SER CB C 63.2 0.2 1 423 . 38 SER N N 111.8 0.2 1 424 . 39 LYS H H 9.30 0.02 1 425 . 39 LYS HA H 4.51 0.02 1 426 . 39 LYS HB2 H 2.03 0.02 1 427 . 39 LYS HB3 H 1.42 0.02 1 428 . 39 LYS HG2 H 1.28 0.02 4 429 . 39 LYS C C 176.9 0.2 1 430 . 39 LYS CA C 55.9 0.2 1 431 . 39 LYS CB C 34.8 0.2 1 432 . 39 LYS N N 124.8 0.2 1 433 . 40 LEU H H 7.69 0.02 1 434 . 40 LEU HA H 4.64 0.02 1 435 . 40 LEU HB2 H 2.10 0.02 1 436 . 40 LEU HB3 H 1.11 0.02 1 437 . 40 LEU HG H 1.21 0.02 1 438 . 40 LEU HD1 H 0.56 0.02 1 439 . 40 LEU HD2 H 0.75 0.02 1 440 . 40 LEU C C 174.8 0.2 1 441 . 40 LEU CA C 55.7 0.2 1 442 . 40 LEU CB C 45.2 0.2 1 443 . 40 LEU CG C 27.4 0.2 1 444 . 40 LEU CD1 C 27.9 0.2 1 445 . 40 LEU CD2 C 24.5 0.2 1 446 . 40 LEU N N 121.5 0.2 1 447 . 41 ILE H H 8.43 0.02 1 448 . 41 ILE HA H 5.55 0.02 1 449 . 41 ILE HB H 1.52 0.02 1 450 . 41 ILE HG12 H 0.91 0.02 2 451 . 41 ILE HG13 H 1.20 0.02 2 452 . 41 ILE HG2 H 0.82 0.02 1 453 . 41 ILE HD1 H 0.70 0.02 1 454 . 41 ILE C C 173.9 0.2 1 455 . 41 ILE CA C 58.8 0.2 1 456 . 41 ILE CB C 41.0 0.2 1 457 . 41 ILE CG2 C 19.4 0.2 1 458 . 41 ILE CD1 C 15.9 0.2 1 459 . 41 ILE N N 118.9 0.2 1 460 . 42 ILE H H 8.86 0.02 1 461 . 42 ILE HA H 5.22 0.02 1 462 . 42 ILE HB H 1.57 0.02 1 463 . 42 ILE HG12 H 1.38 0.02 2 464 . 42 ILE HG13 H 0.91 0.02 2 465 . 42 ILE HG2 H 0.70 0.02 1 466 . 42 ILE HD1 H 0.58 0.02 1 467 . 42 ILE C C 174.9 0.2 1 468 . 42 ILE CA C 59.7 0.2 1 469 . 42 ILE CB C 41.4 0.2 1 470 . 42 ILE CG2 C 19.4 0.2 1 471 . 42 ILE CD1 C 15.3 0.2 1 472 . 42 ILE N N 123.9 0.2 1 473 . 43 ILE H H 8.48 0.02 1 474 . 43 ILE HA H 4.56 0.02 1 475 . 43 ILE HB H 1.54 0.02 1 476 . 43 ILE HG12 H 1.50 0.02 2 477 . 43 ILE HG2 H 1.14 0.02 1 478 . 43 ILE HD1 H 0.77 0.02 1 479 . 43 ILE C C 176.7 0.2 1 480 . 43 ILE CA C 60.6 0.2 1 481 . 43 ILE CB C 41.2 0.2 1 482 . 43 ILE CG2 C 17.5 0.2 1 483 . 43 ILE CD1 C 14.8 0.2 1 484 . 43 ILE N N 124.8 0.2 1 485 . 44 ALA H H 8.77 0.02 1 486 . 44 ALA HA H 4.45 0.02 1 487 . 44 ALA HB H 1.69 0.02 1 488 . 44 ALA C C 179.4 0.2 1 489 . 44 ALA CA C 53.6 0.2 1 490 . 44 ALA CB C 19.1 0.2 1 491 . 44 ALA N N 129.8 0.2 1 492 . 45 ALA H H 8.85 0.02 1 493 . 45 ALA HA H 4.31 0.02 1 494 . 45 ALA HB H 1.38 0.02 1 495 . 45 ALA C C 178.6 0.2 1 496 . 45 ALA CA C 55.3 0.2 1 497 . 45 ALA CB C 19.0 0.2 1 498 . 45 ALA N N 124.4 0.2 1 499 . 46 ASN H H 8.27 0.02 1 500 . 46 ASN HA H 4.76 0.02 1 501 . 46 ASN HB2 H 3.21 0.02 1 502 . 46 ASN HB3 H 2.92 0.02 1 503 . 46 ASN HD21 H 6.86 0.02 2 504 . 46 ASN HD22 H 7.76 0.02 2 505 . 46 ASN C C 175.4 0.2 1 506 . 46 ASN CA C 52.6 0.2 1 507 . 46 ASN CB C 36.8 0.2 1 508 . 46 ASN N N 111.9 0.2 1 509 . 46 ASN ND2 N 111.4 0.2 1 510 . 47 THR H H 7.50 0.02 1 511 . 47 THR HA H 4.31 0.02 1 512 . 47 THR HB H 3.93 0.02 1 513 . 47 THR HG2 H 1.18 0.02 1 514 . 47 THR CA C 62.5 0.2 1 515 . 47 THR CB C 70.5 0.2 1 516 . 47 THR CG2 C 46.9 0.2 1 517 . 47 THR N N 120.2 0.2 1 518 . 48 PRO HA H 4.27 0.02 1 519 . 48 PRO HB2 H 2.32 0.02 2 520 . 48 PRO HB3 H 1.60 0.02 2 521 . 48 PRO HG2 H 1.75 0.02 1 522 . 48 PRO HG3 H 1.75 0.02 1 523 . 48 PRO HD2 H 3.46 0.02 2 524 . 48 PRO HD3 H 2.88 0.02 2 525 . 48 PRO C C 178.0 0.2 1 526 . 48 PRO CA C 63.3 0.2 1 527 . 48 PRO CB C 32.9 0.2 1 528 . 48 PRO CG C 28.3 0.2 1 529 . 48 PRO CD C 50.9 0.2 1 530 . 49 VAL H H 8.53 0.02 1 531 . 49 VAL HA H 3.64 0.02 1 532 . 49 VAL HB H 2.12 0.02 1 533 . 49 VAL HG1 H 1.01 0.02 1 534 . 49 VAL HG2 H 1.09 0.02 1 535 . 49 VAL C C 178.0 0.2 1 536 . 49 VAL CA C 67.1 0.2 1 537 . 49 VAL CB C 32.0 0.2 1 538 . 49 VAL CG1 C 22.0 0.2 1 539 . 49 VAL CG2 C 21.0 0.2 1 540 . 49 VAL N N 123.8 0.2 1 541 . 50 LEU H H 8.81 0.02 1 542 . 50 LEU HA H 4.20 0.02 1 543 . 50 LEU HB2 H 1.66 0.02 1 544 . 50 LEU HB3 H 1.52 0.02 1 545 . 50 LEU HG H 1.64 0.02 1 546 . 50 LEU HD1 H 0.88 0.02 1 547 . 50 LEU HD2 H 0.94 0.02 1 548 . 50 LEU C C 180.1 0.2 1 549 . 50 LEU CA C 58.8 0.2 1 550 . 50 LEU CB C 41.8 0.2 1 551 . 50 LEU CG C 27.7 0.2 1 552 . 50 LEU CD1 C 24.7 0.2 1 553 . 50 LEU CD2 C 24.9 0.2 1 554 . 50 LEU N N 121.3 0.2 1 555 . 51 ARG H H 6.84 0.02 1 556 . 51 ARG HA H 4.25 0.02 1 557 . 51 ARG HB2 H 1.60 0.02 1 558 . 51 ARG HB3 H 1.54 0.02 1 559 . 51 ARG HG2 H 1.36 0.02 1 560 . 51 ARG HG3 H 1.19 0.02 1 561 . 51 ARG HD2 H 2.30 0.02 1 562 . 51 ARG HD3 H 2.60 0.02 1 563 . 51 ARG HE H 7.14 0.02 1 564 . 51 ARG C C 178.6 0.2 1 565 . 51 ARG CA C 58.3 0.2 1 566 . 51 ARG CB C 33.0 0.2 1 567 . 51 ARG CG C 27.4 0.2 1 568 . 51 ARG CD C 42.8 0.2 1 569 . 51 ARG N N 116.9 0.2 1 570 . 51 ARG NE N 83.8 0.2 1 571 . 52 LYS H H 8.44 0.02 1 572 . 52 LYS HA H 3.86 0.02 1 573 . 52 LYS HB2 H 2.02 0.02 1 574 . 52 LYS HB3 H 1.80 0.02 1 575 . 52 LYS HG2 H 1.74 0.02 4 576 . 52 LYS HG3 H 1.46 0.02 4 577 . 52 LYS HD2 H 1.74 0.02 4 578 . 52 LYS HE2 H 3.13 0.02 1 579 . 52 LYS HE3 H 2.91 0.02 1 580 . 52 LYS C C 178.1 0.2 1 581 . 52 LYS CA C 61.4 0.2 1 582 . 52 LYS CB C 33.4 0.2 1 583 . 52 LYS CG C 31.3 0.2 1 584 . 52 LYS N N 120.3 0.2 1 585 . 53 SER H H 8.54 0.02 1 586 . 53 SER HA H 4.40 0.02 1 587 . 53 SER HB2 H 4.01 0.02 1 588 . 53 SER HB3 H 4.01 0.02 1 589 . 53 SER C C 177.8 0.2 1 590 . 53 SER CA C 61.9 0.2 1 591 . 53 SER CB C 63.1 0.2 1 592 . 53 SER N N 112.8 0.2 1 593 . 54 GLU H H 7.80 0.02 1 594 . 54 GLU HA H 4.26 0.02 1 595 . 54 GLU HB2 H 2.50 0.02 1 596 . 54 GLU HB3 H 2.50 0.02 1 597 . 54 GLU HG2 H 2.49 0.02 2 598 . 54 GLU HG3 H 2.62 0.02 2 599 . 54 GLU C C 178.7 0.2 1 600 . 54 GLU CA C 59.8 0.2 1 601 . 54 GLU CB C 29.8 0.2 1 602 . 54 GLU CG C 35.7 0.2 1 603 . 54 GLU N N 123.8 0.2 1 604 . 55 LEU H H 8.37 0.02 1 605 . 55 LEU HA H 3.96 0.02 1 606 . 55 LEU HB2 H 2.25 0.02 1 607 . 55 LEU HB3 H 1.16 0.02 1 608 . 55 LEU HG H 1.62 0.02 1 609 . 55 LEU HD1 H 0.96 0.02 1 610 . 55 LEU HD2 H 0.71 0.02 1 611 . 55 LEU C C 179.3 0.2 1 612 . 55 LEU CA C 58.9 0.2 1 613 . 55 LEU CB C 42.2 0.2 1 614 . 55 LEU CG C 28.0 0.2 1 615 . 55 LEU CD1 C 26.7 0.2 1 616 . 55 LEU CD2 C 23.9 0.2 1 617 . 55 LEU N N 119.3 0.2 1 618 . 56 GLU H H 8.60 0.02 1 619 . 56 GLU HA H 3.80 0.02 1 620 . 56 GLU HB2 H 2.02 0.02 1 621 . 56 GLU HB3 H 2.30 0.02 1 622 . 56 GLU HG2 H 2.64 0.02 2 623 . 56 GLU HG3 H 2.20 0.02 2 624 . 56 GLU C C 179.6 0.2 1 625 . 56 GLU CA C 60.2 0.2 1 626 . 56 GLU CB C 29.3 0.2 1 627 . 56 GLU CG C 37.3 0.2 1 628 . 56 GLU N N 116.7 0.2 1 629 . 57 TYR H H 8.18 0.02 1 630 . 57 TYR HA H 4.33 0.02 1 631 . 57 TYR HB2 H 3.18 0.02 1 632 . 57 TYR HB3 H 3.10 0.02 1 633 . 57 TYR HD1 H 6.57 0.02 1 634 . 57 TYR HD2 H 6.57 0.02 1 635 . 57 TYR HE1 H 6.58 0.02 1 636 . 57 TYR HE2 H 6.58 0.02 1 637 . 57 TYR C C 177.7 0.2 1 638 . 57 TYR CA C 61.5 0.2 1 639 . 57 TYR CB C 38.1 0.2 1 640 . 57 TYR CD1 C 133.6 0.2 1 641 . 57 TYR CD2 C 133.6 0.2 1 642 . 57 TYR CE1 C 118.5 0.2 1 643 . 57 TYR CE2 C 118.5 0.2 1 644 . 57 TYR N N 122.7 0.2 1 645 . 58 TYR H H 8.34 0.02 1 646 . 58 TYR HA H 4.07 0.02 1 647 . 58 TYR HB2 H 3.03 0.02 1 648 . 58 TYR HB3 H 2.78 0.02 1 649 . 58 TYR HD1 H 7.22 0.02 1 650 . 58 TYR HD2 H 7.22 0.02 1 651 . 58 TYR HE1 H 7.01 0.02 1 652 . 58 TYR HE2 H 7.01 0.02 1 653 . 58 TYR C C 180.2 0.2 1 654 . 58 TYR CA C 62.5 0.2 1 655 . 58 TYR CB C 39.1 0.2 1 656 . 58 TYR CD1 C 133.4 0.2 1 657 . 58 TYR CD2 C 133.4 0.2 1 658 . 58 TYR CE1 C 118.7 0.2 1 659 . 58 TYR CE2 C 118.7 0.2 1 660 . 58 TYR N N 117.0 0.2 1 661 . 59 ALA H H 8.94 0.02 1 662 . 59 ALA HA H 4.06 0.02 1 663 . 59 ALA HB H 1.39 0.02 1 664 . 59 ALA C C 179.1 0.2 1 665 . 59 ALA CA C 55.8 0.2 1 666 . 59 ALA CB C 17.3 0.2 1 667 . 59 ALA N N 124.3 0.2 1 668 . 60 MET H H 8.23 0.02 1 669 . 60 MET HA H 4.18 0.02 1 670 . 60 MET HB2 H 2.27 0.02 1 671 . 60 MET HB3 H 2.42 0.02 1 672 . 60 MET HG2 H 2.74 0.02 2 673 . 60 MET HG3 H 2.52 0.02 2 674 . 60 MET HE H 2.08 0.02 1 675 . 60 MET C C 181.1 0.2 1 676 . 60 MET CA C 59.1 0.2 1 677 . 60 MET CB C 31.2 0.2 1 678 . 60 MET CG C 31.9 0.2 1 679 . 60 MET CE C 17.1 0.2 1 680 . 60 MET N N 120.3 0.2 1 681 . 61 LEU H H 7.92 0.02 1 682 . 61 LEU HA H 3.96 0.02 1 683 . 61 LEU HB2 H 1.49 0.02 1 684 . 61 LEU HB3 H 1.68 0.02 1 685 . 61 LEU HG H 1.39 0.02 1 686 . 61 LEU HD1 H 0.64 0.02 1 687 . 61 LEU HD2 H 0.75 0.02 1 688 . 61 LEU C C 179.0 0.2 1 689 . 61 LEU CA C 57.9 0.2 1 690 . 61 LEU CB C 42.5 0.2 1 691 . 61 LEU CG C 26.9 0.2 1 692 . 61 LEU CD1 C 25.5 0.2 1 693 . 61 LEU CD2 C 23.5 0.2 1 694 . 61 LEU N N 120.4 0.2 1 695 . 62 SER H H 7.58 0.02 1 696 . 62 SER HA H 4.49 0.02 1 697 . 62 SER HB2 H 4.12 0.02 1 698 . 62 SER HB3 H 3.97 0.02 1 699 . 62 SER C C 174.0 0.2 1 700 . 62 SER CA C 58.0 0.2 1 701 . 62 SER CB C 63.7 0.2 1 702 . 62 SER N N 110.3 0.2 1 703 . 63 LYS H H 7.88 0.02 1 704 . 63 LYS HA H 3.94 0.02 1 705 . 63 LYS HB2 H 2.08 0.02 1 706 . 63 LYS HB3 H 1.91 0.02 1 707 . 63 LYS HG2 H 1.39 0.02 4 708 . 63 LYS C C 176.2 0.2 1 709 . 63 LYS CA C 57.6 0.2 1 710 . 63 LYS CB C 29.2 0.2 1 711 . 63 LYS N N 120.7 0.2 1 712 . 64 THR H H 8.79 0.02 1 713 . 64 THR HA H 4.19 0.02 1 714 . 64 THR HB H 3.44 0.02 1 715 . 64 THR HG2 H 1.02 0.02 1 716 . 64 THR C C 173.9 0.2 1 717 . 64 THR CA C 63.3 0.2 1 718 . 64 THR CB C 70.3 0.2 1 719 . 64 THR CG2 C 21.7 0.2 1 720 . 64 THR N N 118.8 0.2 1 721 . 65 LYS H H 7.87 0.02 1 722 . 65 LYS HA H 4.09 0.02 1 723 . 65 LYS HB2 H 1.82 0.02 1 724 . 65 LYS HB3 H 1.76 0.02 1 725 . 65 LYS HG2 H 1.57 0.02 4 726 . 65 LYS HG3 H 1.46 0.02 4 727 . 65 LYS C C 174.6 0.2 1 728 . 65 LYS CA C 57.3 0.2 1 729 . 65 LYS CB C 34.3 0.2 1 730 . 65 LYS N N 127.7 0.2 1 731 . 66 VAL H H 7.99 0.02 1 732 . 66 VAL HA H 4.41 0.02 1 733 . 66 VAL HB H 1.74 0.02 1 734 . 66 VAL HG1 H 0.75 0.02 1 735 . 66 VAL HG2 H 0.30 0.02 1 736 . 66 VAL C C 175.1 0.2 1 737 . 66 VAL CA C 61.0 0.2 1 738 . 66 VAL CB C 34.6 0.2 1 739 . 66 VAL CG1 C 21.9 0.2 1 740 . 66 VAL CG2 C 21.9 0.2 1 741 . 66 VAL N N 121.4 0.2 1 742 . 67 TYR H H 9.03 0.02 1 743 . 67 TYR HA H 4.67 0.02 1 744 . 67 TYR HB2 H 2.79 0.02 1 745 . 67 TYR HB3 H 2.73 0.02 1 746 . 67 TYR HD1 H 7.02 0.02 1 747 . 67 TYR HD2 H 7.02 0.02 1 748 . 67 TYR HE1 H 6.89 0.02 1 749 . 67 TYR HE2 H 6.89 0.02 1 750 . 67 TYR C C 173.7 0.2 1 751 . 67 TYR CA C 56.7 0.2 1 752 . 67 TYR CB C 41.1 0.2 1 753 . 67 TYR CD1 C 133.2 0.2 1 754 . 67 TYR CD2 C 133.2 0.2 1 755 . 67 TYR CE1 C 118.7 0.2 1 756 . 67 TYR CE2 C 118.7 0.2 1 757 . 67 TYR N N 128.4 0.2 1 758 . 68 TYR H H 7.95 0.02 1 759 . 68 TYR HA H 4.57 0.02 1 760 . 68 TYR HB2 H 2.52 0.02 1 761 . 68 TYR HB3 H 2.93 0.02 1 762 . 68 TYR HD1 H 7.01 0.02 1 763 . 68 TYR HD2 H 7.01 0.02 1 764 . 68 TYR HE1 H 6.64 0.02 1 765 . 68 TYR HE2 H 6.64 0.02 1 766 . 68 TYR C C 174.5 0.2 1 767 . 68 TYR CA C 58.0 0.2 1 768 . 68 TYR CB C 37.3 0.2 1 769 . 68 TYR CD1 C 133.2 0.2 1 770 . 68 TYR CD2 C 133.2 0.2 1 771 . 68 TYR CE1 C 118.5 0.2 1 772 . 68 TYR CE2 C 118.5 0.2 1 773 . 68 TYR N N 127.8 0.2 1 774 . 69 PHE H H 8.41 0.02 1 775 . 69 PHE HA H 4.44 0.02 1 776 . 69 PHE HB2 H 2.80 0.02 1 777 . 69 PHE HB3 H 2.98 0.02 1 778 . 69 PHE HD1 H 7.17 0.02 1 779 . 69 PHE HD2 H 7.17 0.02 1 780 . 69 PHE HE1 H 7.17 0.02 1 781 . 69 PHE HE2 H 7.17 0.02 1 782 . 69 PHE HZ H 7.15 0.02 3 783 . 69 PHE C C 176.6 0.2 1 784 . 69 PHE CA C 57.8 0.2 1 785 . 69 PHE CB C 41.3 0.2 1 786 . 69 PHE CD1 C 132.4 0.2 1 787 . 69 PHE CD2 C 132.4 0.2 1 788 . 69 PHE CE1 C 132.4 0.2 1 789 . 69 PHE CE2 C 132.4 0.2 1 790 . 69 PHE CZ C 132.4 0.2 3 791 . 69 PHE N N 126.9 0.2 1 792 . 70 GLN H H 8.74 0.02 1 793 . 70 GLN HA H 4.14 0.02 1 794 . 70 GLN HB2 H 1.93 0.02 2 795 . 70 GLN HB3 H 1.75 0.02 2 796 . 70 GLN HG2 H 2.25 0.02 1 797 . 70 GLN HG3 H 2.30 0.02 1 798 . 70 GLN HE21 H 6.79 0.02 1 799 . 70 GLN HE22 H 7.30 0.02 1 800 . 70 GLN C C 176.0 0.2 1 801 . 70 GLN CA C 56.2 0.2 1 802 . 70 GLN CB C 27.3 0.2 1 803 . 70 GLN CG C 34.3 0.2 1 804 . 70 GLN CD C 180.9 0.2 1 805 . 70 GLN N N 127.8 0.2 1 806 . 70 GLN NE2 N 112.3 0.2 1 807 . 71 GLY H H 6.96 0.02 1 808 . 71 GLY HA2 H 3.66 0.02 2 809 . 71 GLY HA3 H 4.14 0.02 2 810 . 71 GLY C C 172.8 0.2 1 811 . 71 GLY CA C 44.3 0.2 1 812 . 71 GLY N N 107.4 0.2 1 813 . 72 GLY H H 8.45 0.02 1 814 . 72 GLY HA2 H 4.55 0.02 2 815 . 72 GLY HA3 H 4.16 0.02 2 816 . 72 GLY C C 173.9 0.2 1 817 . 72 GLY CA C 44.7 0.2 1 818 . 72 GLY N N 106.0 0.2 1 819 . 73 ASN H H 9.12 0.02 1 820 . 73 ASN HA H 4.44 0.02 1 821 . 73 ASN HB2 H 3.10 0.02 1 822 . 73 ASN HB3 H 2.46 0.02 1 823 . 73 ASN HD21 H 7.02 0.02 2 824 . 73 ASN HD22 H 7.98 0.02 2 825 . 73 ASN C C 179.3 0.2 1 826 . 73 ASN CA C 55.2 0.2 1 827 . 73 ASN CB C 37.1 0.2 1 828 . 73 ASN N N 118.9 0.2 1 829 . 73 ASN ND2 N 113.8 0.2 1 830 . 74 ASN H H 8.86 0.02 1 831 . 74 ASN HA H 4.33 0.02 1 832 . 74 ASN HB2 H 2.70 0.02 1 833 . 74 ASN HB3 H 2.70 0.02 1 834 . 74 ASN HD21 H 7.01 0.02 2 835 . 74 ASN HD22 H 7.73 0.02 2 836 . 74 ASN C C 176.9 0.2 1 837 . 74 ASN CA C 56.9 0.2 1 838 . 74 ASN CB C 37.3 0.2 1 839 . 74 ASN N N 122.9 0.2 1 840 . 74 ASN ND2 N 114.2 0.2 1 841 . 75 GLU H H 7.84 0.02 1 842 . 75 GLU HA H 4.06 0.02 1 843 . 75 GLU HB2 H 2.26 0.02 2 844 . 75 GLU HB3 H 2.37 0.02 2 845 . 75 GLU HG2 H 2.49 0.02 2 846 . 75 GLU HG3 H 2.32 0.02 2 847 . 75 GLU C C 179.6 0.2 1 848 . 75 GLU CA C 60.0 0.2 1 849 . 75 GLU CB C 29.6 0.2 1 850 . 75 GLU CG C 38.1 0.2 1 851 . 75 GLU N N 122.3 0.2 1 852 . 76 LEU H H 9.03 0.02 1 853 . 76 LEU HA H 3.51 0.02 1 854 . 76 LEU HB2 H 0.68 0.02 1 855 . 76 LEU HB3 H 2.33 0.02 1 856 . 76 LEU HG H 0.89 0.02 1 857 . 76 LEU HD1 H -0.28 0.02 1 858 . 76 LEU HD2 H 0.42 0.02 1 859 . 76 LEU C C 178.2 0.2 1 860 . 76 LEU CA C 57.3 0.2 1 861 . 76 LEU CB C 39.0 0.2 1 862 . 76 LEU CG C 26.4 0.2 1 863 . 76 LEU CD1 C 21.3 0.2 1 864 . 76 LEU CD2 C 26.3 0.2 1 865 . 76 LEU N N 124.2 0.2 1 866 . 77 GLY H H 7.41 0.02 1 867 . 77 GLY HA2 H 3.15 0.02 2 868 . 77 GLY HA3 H 3.80 0.02 2 869 . 77 GLY C C 176.0 0.2 1 870 . 77 GLY CA C 47.5 0.2 1 871 . 77 GLY N N 104.8 0.2 1 872 . 78 THR H H 7.69 0.02 1 873 . 78 THR HA H 3.96 0.02 1 874 . 78 THR HB H 4.07 0.02 1 875 . 78 THR HG2 H 1.17 0.02 1 876 . 78 THR C C 178.5 0.2 1 877 . 78 THR CA C 66.3 0.2 1 878 . 78 THR CB C 68.9 0.2 1 879 . 78 THR CG2 C 21.9 0.2 1 880 . 78 THR N N 117.0 0.2 1 881 . 79 ALA H H 8.08 0.02 1 882 . 79 ALA HA H 4.07 0.02 1 883 . 79 ALA HB H 1.37 0.02 1 884 . 79 ALA C C 179.1 0.2 1 885 . 79 ALA CA C 55.0 0.2 1 886 . 79 ALA CB C 18.3 0.2 1 887 . 79 ALA N N 126.1 0.2 1 888 . 80 VAL H H 7.14 0.02 1 889 . 80 VAL HA H 4.12 0.02 1 890 . 80 VAL HB H 2.16 0.02 1 891 . 80 VAL HG1 H 0.47 0.02 1 892 . 80 VAL HG2 H 0.70 0.02 1 893 . 80 VAL C C 174.9 0.2 1 894 . 80 VAL CA C 60.3 0.2 1 895 . 80 VAL CB C 30.2 0.2 1 896 . 80 VAL CG1 C 22.4 0.2 1 897 . 80 VAL CG2 C 19.6 0.2 1 898 . 80 VAL N N 106.8 0.2 1 899 . 81 GLY H H 7.69 0.02 1 900 . 81 GLY HA2 H 3.67 0.02 2 901 . 81 GLY HA3 H 3.78 0.02 2 902 . 81 GLY C C 174.9 0.2 1 903 . 81 GLY CA C 46.2 0.2 1 904 . 81 GLY N N 107.8 0.2 1 905 . 82 LYS H H 7.83 0.02 1 906 . 82 LYS HA H 4.31 0.02 1 907 . 82 LYS HB2 H 0.65 0.02 2 908 . 82 LYS HB3 H -0.1 0.02 2 909 . 82 LYS HG2 H 1.35 0.02 4 910 . 82 LYS HG3 H 1.58 0.02 4 911 . 82 LYS C C 176.8 0.2 1 912 . 82 LYS CA C 51.7 0.2 1 913 . 82 LYS CB C 33.0 0.2 1 914 . 82 LYS N N 117.4 0.2 1 915 . 83 LEU H H 8.21 0.02 1 916 . 83 LEU HA H 4.16 0.02 1 917 . 83 LEU HB2 H 1.80 0.02 1 918 . 83 LEU HB3 H 1.31 0.02 1 919 . 83 LEU HG H 1.53 0.02 1 920 . 83 LEU HD1 H 0.82 0.02 1 921 . 83 LEU HD2 H 0.94 0.02 1 922 . 83 LEU C C 176.2 0.2 1 923 . 83 LEU CA C 54.0 0.2 1 924 . 83 LEU CB C 40.5 0.2 1 925 . 83 LEU CG C 27.7 0.2 1 926 . 83 LEU CD1 C 24.1 0.2 1 927 . 83 LEU CD2 C 24.4 0.2 1 928 . 83 LEU N N 119.5 0.2 1 929 . 84 PHE H H 5.98 0.02 1 930 . 84 PHE HA H 4.54 0.02 1 931 . 84 PHE HB2 H 2.67 0.02 1 932 . 84 PHE HB3 H 2.19 0.02 1 933 . 84 PHE HD1 H 6.55 0.02 1 934 . 84 PHE HD2 H 6.55 0.02 1 935 . 84 PHE HE1 H 6.25 0.02 1 936 . 84 PHE HE2 H 6.25 0.02 1 937 . 84 PHE HZ H 6.30 0.02 1 938 . 84 PHE C C 173.8 0.2 1 939 . 84 PHE CA C 53.4 0.2 1 940 . 84 PHE CB C 40.4 0.2 1 941 . 84 PHE CD1 C 128.2 0.2 1 942 . 84 PHE CD2 C 128.2 0.2 1 943 . 84 PHE CE1 C 130.1 0.2 1 944 . 84 PHE CE2 C 130.1 0.2 1 945 . 84 PHE CZ C 133.0 0.2 3 946 . 84 PHE N N 114.3 0.2 1 947 . 85 ARG H H 7.78 0.02 1 948 . 85 ARG HA H 3.73 0.02 1 949 . 85 ARG HB2 H 1.50 0.02 2 950 . 85 ARG HB3 H 1.22 0.02 2 951 . 85 ARG HG2 H 1.50 0.02 2 952 . 85 ARG HG3 H 1.03 0.02 2 953 . 85 ARG HD2 H 2.85 0.02 1 954 . 85 ARG HD3 H 3.01 0.02 1 955 . 85 ARG HE H 7.10 0.02 1 956 . 85 ARG C C 176.7 0.2 1 957 . 85 ARG CA C 56.8 0.2 1 958 . 85 ARG CB C 31.7 0.2 1 959 . 85 ARG CD C 43.5 0.2 1 960 . 85 ARG N N 117.3 0.2 1 961 . 85 ARG NE N 83.9 0.2 1 962 . 86 VAL H H 7.64 0.02 1 963 . 86 VAL HA H 3.89 0.02 1 964 . 86 VAL HB H 1.29 0.02 1 965 . 86 VAL HG1 H 0.41 0.02 1 966 . 86 VAL HG2 H 0.54 0.02 1 967 . 86 VAL C C 174.6 0.2 1 968 . 86 VAL CA C 61.5 0.2 1 969 . 86 VAL CB C 36.1 0.2 1 970 . 86 VAL CG1 C 23.9 0.2 1 971 . 86 VAL CG2 C 22.6 0.2 1 972 . 86 VAL N N 119.9 0.2 1 973 . 87 GLY H H 9.93 0.02 1 974 . 87 GLY HA2 H 3.92 0.02 2 975 . 87 GLY HA3 H 4.04 0.02 2 976 . 87 GLY C C 174.6 0.2 1 977 . 87 GLY CA C 46.4 0.2 1 978 . 87 GLY N N 114.7 0.2 1 979 . 88 VAL H H 7.08 0.02 1 980 . 88 VAL HA H 5.40 0.02 1 981 . 88 VAL HB H 2.22 0.02 1 982 . 88 VAL HG1 H 0.96 0.02 1 983 . 88 VAL HG2 H 0.89 0.02 1 984 . 88 VAL C C 171.4 0.2 1 985 . 88 VAL CA C 59.3 0.2 1 986 . 88 VAL CB C 36.1 0.2 1 987 . 88 VAL CG1 C 23.3 0.2 1 988 . 88 VAL CG2 C 18.8 0.2 1 989 . 88 VAL N N 115.8 0.2 1 990 . 89 VAL H H 8.47 0.02 1 991 . 89 VAL HA H 4.53 0.02 1 992 . 89 VAL HB H 1.64 0.02 1 993 . 89 VAL HG1 H 0.64 0.02 1 994 . 89 VAL HG2 H 0.70 0.02 1 995 . 89 VAL C C 174.0 0.2 1 996 . 89 VAL CA C 60.1 0.2 1 997 . 89 VAL CB C 36.1 0.2 1 998 . 89 VAL CG1 C 22.5 0.2 1 999 . 89 VAL CG2 C 20.9 0.2 1 1000 . 89 VAL N N 125.8 0.2 1 1001 . 90 SER H H 8.79 0.02 1 1002 . 90 SER HA H 5.25 0.02 1 1003 . 90 SER HB2 H 3.92 0.02 1 1004 . 90 SER HB3 H 3.89 0.02 1 1005 . 90 SER C C 174.7 0.2 1 1006 . 90 SER CA C 55.0 0.2 1 1007 . 90 SER CB C 65.3 0.2 1 1008 . 90 SER N N 120.3 0.2 1 1009 . 91 ILE H H 9.20 0.02 1 1010 . 91 ILE HA H 4.14 0.02 1 1011 . 91 ILE HB H 2.11 0.02 1 1012 . 91 ILE HG12 H 0.95 0.02 2 1013 . 91 ILE HG13 H 1.27 0.02 2 1014 . 91 ILE HG2 H 0.74 0.02 1 1015 . 91 ILE HD1 H 0.65 0.02 1 1016 . 91 ILE C C 174.1 0.2 1 1017 . 91 ILE CA C 60.9 0.2 1 1018 . 91 ILE CB C 37.1 0.2 1 1019 . 91 ILE CG2 C 17.5 0.2 1 1020 . 91 ILE CD1 C 12.3 0.2 1 1021 . 91 ILE N N 127.1 0.2 1 1022 . 92 LEU H H 8.70 0.02 1 1023 . 92 LEU HA H 4.77 0.02 1 1024 . 92 LEU HB2 H 1.32 0.02 1 1025 . 92 LEU HB3 H 1.71 0.02 1 1026 . 92 LEU HG H 1.52 0.02 1 1027 . 92 LEU HD1 H 0.74 0.02 1 1028 . 92 LEU HD2 H 0.66 0.02 1 1029 . 92 LEU C C 177.1 0.2 1 1030 . 92 LEU CA C 56.4 0.2 1 1031 . 92 LEU CB C 42.5 0.2 1 1032 . 92 LEU CG C 29.2 0.2 1 1033 . 92 LEU CD1 C 25.9 0.2 1 1034 . 92 LEU CD2 C 24.4 0.2 1 1035 . 92 LEU N N 129.9 0.2 1 1036 . 93 GLU H H 8.18 0.02 1 1037 . 93 GLU HA H 4.57 0.02 1 1038 . 93 GLU HB2 H 2.26 0.02 1 1039 . 93 GLU HB3 H 1.80 0.02 2 1040 . 93 GLU HG2 H 2.30 0.02 1 1041 . 93 GLU HG3 H 2.30 0.02 1 1042 . 93 GLU C C 176.3 0.2 1 1043 . 93 GLU CA C 55.9 0.2 1 1044 . 93 GLU CB C 33.6 0.2 1 1045 . 93 GLU CG C 36.0 0.2 1 1046 . 93 GLU N N 116.3 0.2 1 1047 . 94 ALA H H 9.16 0.02 1 1048 . 94 ALA HA H 4.04 0.02 1 1049 . 94 ALA HB H 1.42 0.02 1 1050 . 94 ALA C C 178.4 0.2 1 1051 . 94 ALA CA C 53.7 0.2 1 1052 . 94 ALA CB C 20.1 0.2 1 1053 . 94 ALA N N 125.0 0.2 1 1054 . 95 GLY H H 8.46 0.02 1 1055 . 95 GLY HA2 H 3.69 0.02 2 1056 . 95 GLY HA3 H 4.14 0.02 2 1057 . 95 GLY C C 175.7 0.2 1 1058 . 95 GLY CA C 46.5 0.2 1 1059 . 95 GLY N N 105.9 0.2 1 1060 . 96 ASP H H 8.76 0.02 1 1061 . 96 ASP HA H 4.65 0.02 1 1062 . 96 ASP HB2 H 2.88 0.02 1 1063 . 96 ASP HB3 H 2.43 0.02 1 1064 . 96 ASP C C 176.7 0.2 1 1065 . 96 ASP CA C 54.7 0.2 1 1066 . 96 ASP CB C 41.2 0.2 1 1067 . 96 ASP N N 124.9 0.2 1 1068 . 97 SER H H 7.73 0.02 1 1069 . 97 SER HA H 4.36 0.02 1 1070 . 97 SER HB2 H 3.92 0.02 2 1071 . 97 SER HB3 H 3.80 0.02 2 1072 . 97 SER C C 175.6 0.2 1 1073 . 97 SER CA C 58.4 0.2 1 1074 . 97 SER CB C 65.6 0.2 1 1075 . 97 SER N N 112.4 0.2 1 1076 . 98 ASP H H 8.42 0.02 1 1077 . 98 ASP HA H 4.80 0.02 1 1078 . 98 ASP HB2 H 2.61 0.02 1 1079 . 98 ASP HB3 H 3.01 0.02 1 1080 . 98 ASP C C 179.6 0.2 1 1081 . 98 ASP CA C 53.9 0.2 1 1082 . 98 ASP CB C 40.1 0.2 1 1083 . 98 ASP N N 126.0 0.2 1 1084 . 99 ILE H H 7.83 0.02 1 1085 . 99 ILE HA H 3.69 0.02 1 1086 . 99 ILE HB H 1.71 0.02 1 1087 . 99 ILE HG12 H 1.23 0.02 2 1088 . 99 ILE HG13 H 0.98 0.02 2 1089 . 99 ILE HG2 H 0.69 0.02 1 1090 . 99 ILE HD1 H 0.51 0.02 1 1091 . 99 ILE C C 174.6 0.2 1 1092 . 99 ILE CA C 64.9 0.2 1 1093 . 99 ILE CB C 38.9 0.2 1 1094 . 99 ILE CG2 C 16.2 0.2 1 1095 . 99 ILE CD1 C 14.3 0.2 1 1096 . 99 ILE N N 119.7 0.2 1 1097 . 100 LEU H H 8.44 0.02 1 1098 . 100 LEU HA H 4.12 0.02 1 1099 . 100 LEU HB2 H 1.78 0.02 1 1100 . 100 LEU HB3 H 1.59 0.02 1 1101 . 100 LEU HG H 1.53 0.02 1 1102 . 100 LEU HD1 H 0.92 0.02 1 1103 . 100 LEU HD2 H 0.75 0.02 1 1104 . 100 LEU C C 179.3 0.2 1 1105 . 100 LEU CA C 56.7 0.2 1 1106 . 100 LEU CB C 40.2 0.2 1 1107 . 100 LEU CG C 27.4 0.2 1 1108 . 100 LEU CD1 C 25.6 0.2 1 1109 . 100 LEU CD2 C 23.1 0.2 1 1110 . 100 LEU N N 117.0 0.2 1 1111 . 101 THR H H 7.64 0.02 1 1112 . 101 THR HA H 4.44 0.02 1 1113 . 101 THR HB H 4.37 0.02 1 1114 . 101 THR HG2 H 1.18 0.02 1 1115 . 101 THR C C 176.4 0.2 1 1116 . 101 THR CA C 62.8 0.2 1 1117 . 101 THR CB C 69.5 0.2 1 1118 . 101 THR CG2 C 22.0 0.2 1 1119 . 101 THR N N 108.3 0.2 1 1120 . 102 THR H H 7.47 0.02 1 1121 . 102 THR HA H 4.43 0.02 1 1122 . 102 THR HB H 4.19 0.02 1 1123 . 102 THR HG2 H 1.15 0.02 1 1124 . 102 THR C C 175.2 0.2 1 1125 . 102 THR CA C 62.7 0.2 1 1126 . 102 THR CB C 70.2 0.2 1 1127 . 102 THR CG2 C 21.9 0.2 1 1128 . 102 THR N N 111.3 0.2 1 1129 . 103 LEU H H 7.53 0.02 1 1130 . 103 LEU HA H 4.40 0.02 1 1131 . 103 LEU HB2 H 1.52 0.02 2 1132 . 103 LEU HB3 H 1.43 0.02 2 1133 . 103 LEU HG H 1.50 0.02 1 1134 . 103 LEU HD1 H 0.50 0.02 1 1135 . 103 LEU HD2 H 0.50 0.02 1 1136 . 103 LEU C C 175.9 0.2 1 1137 . 103 LEU CA C 55.3 0.2 1 1138 . 103 LEU CB C 42.4 0.2 1 1139 . 103 LEU CG C 27.0 0.2 1 1140 . 103 LEU CD1 C 25.6 0.2 2 1141 . 103 LEU CD2 C 23.9 0.2 2 1142 . 103 LEU N N 122.8 0.2 1 1143 . 104 ALA H H 7.72 0.02 1 1144 . 104 ALA HA H 4.18 0.02 1 1145 . 104 ALA HB H 1.40 0.02 1 1146 . 104 ALA CA C 53.9 0.2 1 1147 . 104 ALA CB C 20.8 0.2 1 1148 . 104 ALA N N 129.8 0.2 1 stop_ save_