data_5093 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments for Ribosome-binding Factor A (RbfA) ; _BMRB_accession_number 5093 _BMRB_flat_file_name bmr5093.str _Entry_type original _Submission_date 2001-08-02 _Accession_date 2001-08-02 _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 Swapna G. V.T. . 2 Shukla Kamal . . 3 Huang YJ . . 4 Ke H. . . 5 Xia B. . . 6 Inouye Masayori . . 7 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 599 "13C chemical shifts" 442 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-03-04 original author . stop_ _Original_release_date 2002-03-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignments for cold-shock protein ribosome-binding factor A (RbfA) from Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11824762 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Swapna G. V.T. . 2 Shukla Kamal . . 3 Huang YJ . . 4 Ke H. . . 5 Xia B. . . 6 Inouye Masayori . . 7 Montelione Gaetano T. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 21 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 389 _Page_last 390 _Year 2001 _Details . loop_ _Keyword 'Ribosome-binding Factor A' RbfA stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref-1 _Saveframe_category citation _Citation_full ; Zimmerman, D. E., Kulikowski, C. A., Huang, Y., Feng, W., Tashiro, M., Shimotakahara, S., Chien, C. Y., Powers, R., and Montelione, G. T. J. Mol. Biol. 269, 592-610, (1997) ; _Citation_title 'Automated analysis of protein NMR assignments using methods from artificial intelligence.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9217263 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zimmerman 'D E' E. . 2 Kulikowski 'C A' A. . 3 Huang Y . . 4 Feng W . . 5 Tashiro M . . 6 Shimotakahara S . . 7 Chien C . . 8 Powers R . . 9 Montelione 'G T' T. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 269 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 592 _Page_last 610 _Year 1997 _Details ; An expert system for determining resonance assignments from NMR spectra of proteins is described. Given the amino acid sequence, a two-dimensional 15N-1H heteronuclear correlation spectrum and seven to eight three-dimensional triple-resonance NMR spectra for seven proteins, AUTOASSIGN obtained an average of 98% of sequence-specific spin-system assignments with an error rate of less than 0.5%. Execution times on a Sparc 10 workstation varied from 16 seconds for smaller proteins with simple spectra to one to nine minutes for medium size proteins exhibiting numerous extra spin systems attributed to conformational isomerization. AUTOASSIGN combines symbolic constraint satisfaction methods with a domain-specific knowledge base to exploit the logical structure of the sequential assignment problem, the specific features of the various NMR experiments, and the expected chemical shift frequencies of different amino acids. The current implementation specializes in the analysis of data derived from the most sensitive of the currently available triple-resonance experiments. Potential extensions of the system for analysis of additional types of protein NMR data are also discussed. ; save_ ################################## # Molecular system description # ################################## save_system_RbfA _Saveframe_category molecular_system _Mol_system_name RbfADelta25 _Abbreviation_common RbfA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ribosome-binding Factor A' $RbfA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'cold-shock adaptation protein from the bacterium Escherichia Coli' 'RbfA is probably involved in ribosome maturation and/or translation initiation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RbfA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RbfA _Abbreviation_common RbfA _Molecular_mass 12300 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MAKEFGRPQRVAQEMQKEIA LILQREIKDPRLGMMTTVSG VEMSRDLAYAKVYVTFLNDK DEDAVKAGIKALQEASGFIR SLLGKAMRLRIVPELTFFYD NSLVEGMR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LYS 4 GLU 5 PHE 6 GLY 7 ARG 8 PRO 9 GLN 10 ARG 11 VAL 12 ALA 13 GLN 14 GLU 15 MET 16 GLN 17 LYS 18 GLU 19 ILE 20 ALA 21 LEU 22 ILE 23 LEU 24 GLN 25 ARG 26 GLU 27 ILE 28 LYS 29 ASP 30 PRO 31 ARG 32 LEU 33 GLY 34 MET 35 MET 36 THR 37 THR 38 VAL 39 SER 40 GLY 41 VAL 42 GLU 43 MET 44 SER 45 ARG 46 ASP 47 LEU 48 ALA 49 TYR 50 ALA 51 LYS 52 VAL 53 TYR 54 VAL 55 THR 56 PHE 57 LEU 58 ASN 59 ASP 60 LYS 61 ASP 62 GLU 63 ASP 64 ALA 65 VAL 66 LYS 67 ALA 68 GLY 69 ILE 70 LYS 71 ALA 72 LEU 73 GLN 74 GLU 75 ALA 76 SER 77 GLY 78 PHE 79 ILE 80 ARG 81 SER 82 LEU 83 LEU 84 GLY 85 LYS 86 ALA 87 MET 88 ARG 89 LEU 90 ARG 91 ILE 92 VAL 93 PRO 94 GLU 95 LEU 96 THR 97 PHE 98 PHE 99 TYR 100 ASP 101 ASN 102 SER 103 LEU 104 VAL 105 GLU 106 GLY 107 MET 108 ARG 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 BMRB 18147 RbfA 100.00 147 100.00 100.00 9.40e-71 PDB 1KKG "Nmr Structure Of Ribosome-Binding Factor A (Rbfa)" 99.07 108 100.00 100.00 4.75e-70 DBJ BAB37471 "ribosome-binding factor A [Escherichia coli O157:H7 str. Sakai]" 100.00 133 100.00 100.00 7.98e-71 DBJ BAE77213 "30s ribosome binding factor [Escherichia coli str. K-12 substr. W3110]" 100.00 133 100.00 100.00 7.98e-71 DBJ BAG78977 "ribosome-binding factor A [Escherichia coli SE11]" 100.00 133 100.00 100.00 7.98e-71 DBJ BAH65352 "ribosome-binding factor A [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 100.00 133 98.15 99.07 4.00e-69 DBJ BAI27447 "30S ribosome binding factor RbfA [Escherichia coli O26:H11 str. 11368]" 100.00 133 100.00 100.00 7.98e-71 EMBL CAA31634 "unnamed protein product [Escherichia coli]" 100.00 133 100.00 100.00 7.98e-71 EMBL CAA32020 "P15B gene product (AA 1 - 133) [Escherichia coli]" 100.00 133 100.00 100.00 7.98e-71 EMBL CAP77629 "ribosome-binding factor A [Escherichia coli LF82]" 100.00 133 100.00 100.00 7.98e-71 EMBL CAQ33502 "30S ribosome binding factor [Escherichia coli BL21(DE3)]" 100.00 133 100.00 100.00 7.98e-71 EMBL CAQ90639 "30s ribosome binding factor [Escherichia fergusonii ATCC 35469]" 100.00 133 100.00 100.00 7.98e-71 GB AAA57970 "P15B [Escherichia coli str. K-12 substr. MG1655]" 100.00 133 100.00 100.00 7.98e-71 GB AAC76201 "30s ribosome binding factor [Escherichia coli str. K-12 substr. MG1655]" 100.00 133 100.00 100.00 7.98e-71 GB AAG58303 "ribosome-binding factor A [Escherichia coli O157:H7 str. EDL933]" 100.00 133 100.00 100.00 7.98e-71 GB AAL22157 "ribosome-binding factor [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 133 98.15 100.00 8.60e-70 GB AAN44675 "ribosome-binding factor A [Shigella flexneri 2a str. 301]" 100.00 133 100.00 100.00 7.98e-71 REF NP_289743 "ribosome-binding factor A [Escherichia coli O157:H7 str. EDL933]" 100.00 133 100.00 100.00 7.98e-71 REF NP_312075 "ribosome-binding factor A [Escherichia coli O157:H7 str. Sakai]" 100.00 133 100.00 100.00 7.98e-71 REF NP_417636 "30s ribosome binding factor [Escherichia coli str. K-12 substr. MG1655]" 100.00 133 100.00 100.00 7.98e-71 REF NP_462198 "ribosome-binding factor A [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 133 98.15 100.00 8.60e-70 REF NP_708968 "ribosome-binding factor A [Shigella flexneri 2a str. 301]" 100.00 133 100.00 100.00 7.98e-71 SP A1AG72 "RecName: Full=Ribosome-binding factor A [Escherichia coli APEC O1]" 100.00 133 100.00 100.00 7.98e-71 SP A6TEI6 "RecName: Full=Ribosome-binding factor A [Klebsiella pneumoniae subsp. pneumoniae MGH 78578]" 100.00 133 98.15 99.07 4.00e-69 SP A7ZS64 "RecName: Full=Ribosome-binding factor A [Escherichia coli E24377A]" 100.00 133 100.00 100.00 7.98e-71 SP A8A4Y3 "RecName: Full=Ribosome-binding factor A [Escherichia coli HS]" 100.00 133 100.00 100.00 7.98e-71 SP A8AQ56 "RecName: Full=Ribosome-binding factor A [Citrobacter koseri ATCC BAA-895]" 100.00 133 98.15 100.00 4.88e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction $RbfA 'E. coli.' 562 Eubacteria . Escherichia coli ribosome stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $RbfA 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pET11a ; Rbfa gene was cloned into expression plasmid pET11a, generating plasmid pETrbfA E.coli strain BL21(DE3) cell cultures transformed with pETrbfA were grown at 37 C in M9 minimal media containing U15N-(NH4)2SO4 and 13C-glucose as sole nitrogen and carbon sources. ; 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 $RbfA 1.6 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.3b loop_ _Task 'data processing' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.91 loop_ _Task 'peak picking' stop_ _Details . save_ save_AUTOASSIGN _Saveframe_category software _Name AUTOASSIGN _Version 1.7.8 loop_ _Task 'automated backbone 1H, 13C and 15N assignments' stop_ _Details 'In-house developed software for automating the peak assignment process.' _Citation_label $ref-1 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_(HA)CA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name (HA)CA(CO)NH _Sample_label . save_ save_HA(CA)(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HA(CA)(CO)NH _Sample_label . save_ save_(HA)CANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name (HA)CANH _Sample_label . save_ save_HA(CA)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HA(CA)NH _Sample_label . save_ save_H(CCCO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH-TOCSY _Sample_label . save_ save_(H)CC(CO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label . save_ save_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_13C-edited_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label . save_ save_15N-edited_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name (HA)CA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HA(CA)(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name (HA)CANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HA(CA)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _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 '13C-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details ; The sample stability was tested by recording a 1H-15N HSQC spectrum every 3 days. Mass spectra were also recorded on the 3rd and 7th day and every two weeks subsequently. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.05 0.05 n/a temperature 293 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Ribosome-binding Factor A' _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 . 2 ALA HA H 4.04 0.02 1 2 . 2 ALA HB H 1.46 0.02 1 3 . 2 ALA C C 173.7 0.20 1 4 . 2 ALA CA C 51.5 0.20 1 5 . 2 ALA CB C 19.4 0.20 1 6 . 3 LYS H H 8.58 0.02 1 7 . 3 LYS HA H 4.19 0.02 1 8 . 3 LYS HB2 H 1.60 0.02 1 9 . 3 LYS HB3 H 1.60 0.02 1 10 . 3 LYS HG2 H 1.25 0.02 1 11 . 3 LYS HG3 H 1.25 0.02 1 12 . 3 LYS HE2 H 2.87 0.02 1 13 . 3 LYS C C 174.0 0.20 1 14 . 3 LYS CA C 56.3 0.20 1 15 . 3 LYS CB C 32.8 0.20 1 16 . 3 LYS CG C 24.4 0.20 1 17 . 3 LYS CE C 41.9 0.20 1 18 . 3 LYS N N 120.2 0.25 1 19 . 4 GLU H H 8.42 0.02 1 20 . 4 GLU HA H 4.25 0.02 1 21 . 4 GLU HB2 H 2.18 0.02 1 22 . 4 GLU HB3 H 2.18 0.02 1 23 . 4 GLU HG2 H 1.87 0.02 1 24 . 4 GLU HG3 H 1.87 0.02 1 25 . 4 GLU C C 176.0 0.20 1 26 . 4 GLU CA C 55.7 0.20 1 27 . 4 GLU CB C 30.3 0.20 1 28 . 4 GLU CG C 35.5 0.20 1 29 . 4 GLU N N 122.2 0.25 1 30 . 5 PHE H H 8.48 0.02 1 31 . 5 PHE HA H 4.58 0.02 1 32 . 5 PHE HB2 H 3.12 0.02 2 33 . 5 PHE HB3 H 2.93 0.02 2 34 . 5 PHE C C 176.1 0.20 1 35 . 5 PHE CA C 57.5 0.20 1 36 . 5 PHE CB C 39.7 0.20 1 37 . 5 PHE N N 122.2 0.25 1 38 . 6 GLY H H 8.40 0.02 1 39 . 6 GLY HA2 H 3.86 0.02 2 40 . 6 GLY HA3 H 4.01 0.02 2 41 . 6 GLY C C 173.8 0.20 1 42 . 6 GLY CA C 44.8 0.20 1 43 . 6 GLY N N 110.2 0.25 1 44 . 7 ARG H H 8.495 0.02 1 45 . 7 ARG HA H 4.44 0.02 1 46 . 7 ARG HB2 H 2.51 0.02 1 47 . 7 ARG HB3 H 2.51 0.02 1 48 . 7 ARG CA C 56.8 0.20 1 49 . 7 ARG CB C 28.9 0.20 1 50 . 7 ARG CG C 31.8 0.20 1 51 . 7 ARG N N 120.8 0.25 1 52 . 8 PRO HA H 4.40 0.02 1 53 . 8 PRO HB2 H 2.23 0.02 1 54 . 8 PRO HB3 H 2.23 0.02 1 55 . 8 PRO HG2 H 1.98 0.02 2 56 . 8 PRO HG3 H 2.08 0.02 2 57 . 8 PRO HD2 H 3.66 0.02 2 58 . 8 PRO HD3 H 3.84 0.02 2 59 . 8 PRO C C 177.7 0.20 1 60 . 8 PRO CA C 64.8 0.20 1 61 . 8 PRO CB C 31.3 0.20 1 62 . 8 PRO CG C 28.2 0.20 1 63 . 8 PRO CD C 50.0 0.20 1 64 . 9 GLN H H 8.05 0.02 1 65 . 9 GLN HA H 4.18 0.02 1 66 . 9 GLN HB2 H 2.04 0.02 1 67 . 9 GLN HB3 H 2.04 0.02 1 68 . 9 GLN HG2 H 2.40 0.02 2 69 . 9 GLN HG3 H 2.48 0.02 2 70 . 9 GLN CA C 57.6 0.20 1 71 . 9 GLN CB C 28.4 0.20 1 72 . 9 GLN CG C 34.2 0.20 1 73 . 9 GLN N N 117.5 0.25 1 74 . 9 GLN NE2 N 111.4 0.25 1 75 . 9 GLN HE21 H 6.88 0.02 2 76 . 9 GLN HE22 H 7.60 0.02 2 77 . 10 ARG H H 8.24 0.02 1 78 . 10 ARG HA H 4.17 0.02 1 79 . 10 ARG HB2 H 1.91 0.02 1 80 . 10 ARG HB3 H 1.91 0.02 1 81 . 10 ARG HG2 H 1.67 0.02 1 82 . 10 ARG HG3 H 1.67 0.02 1 83 . 10 ARG HD2 H 3.20 0.02 1 84 . 10 ARG HD3 H 3.20 0.02 1 85 . 10 ARG C C 178.8 0.20 1 86 . 10 ARG CA C 58.6 0.20 1 87 . 10 ARG CB C 29.6 0.20 1 88 . 10 ARG CG C 29.6 0.20 1 89 . 10 ARG CD C 44.9 0.20 1 90 . 10 ARG N N 121.5 0.25 1 91 . 11 VAL H H 8.30 0.02 1 92 . 11 VAL CA C 65.6 0.20 1 93 . 11 VAL CB C 31.4 0.20 1 94 . 11 VAL CG1 C 20.9 0.20 1 95 . 11 VAL CG2 C 20.9 0.20 1 96 . 11 VAL HA H 3.76 0.02 1 97 . 11 VAL HB H 2.03 0.02 1 98 . 11 VAL HG1 H 0.92 0.02 1 99 . 11 VAL HG2 H 0.92 0.02 1 100 . 11 VAL N N 119.6 0.25 1 101 . 12 ALA H H 8.02 0.02 1 102 . 12 ALA HA H 3.84 0.02 1 103 . 12 ALA HB H 1.50 0.02 1 104 . 12 ALA C C 179.6 0.20 1 105 . 12 ALA CA C 55.4 0.20 1 106 . 12 ALA CB C 18.2 0.20 1 107 . 12 ALA N N 121.9 0.25 1 108 . 13 GLN H H 7.81 0.02 1 109 . 13 GLN HA H 4.09 0.02 1 110 . 13 GLN HB2 H 2.16 0.02 2 111 . 13 GLN HB3 H 2.23 0.02 2 112 . 13 GLN HG2 H 2.42 0.02 2 113 . 13 GLN HG3 H 2.55 0.02 2 114 . 13 GLN HE21 H 6.76 0.02 2 115 . 13 GLN HE22 H 7.54 0.02 2 116 . 13 GLN C C 179.3 0.20 1 117 . 13 GLN CA C 59.0 0.20 1 118 . 13 GLN CB C 28.5 0.20 1 119 . 13 GLN CG C 34.3 0.20 1 120 . 13 GLN N N 116.5 0.25 1 121 . 13 GLN NE2 N 111.1 0.25 1 122 . 14 GLU H H 8.00 0.02 1 123 . 14 GLU HA H 4.11 0.02 1 124 . 14 GLU HG2 H 2.37 0.02 2 125 . 14 GLU HG3 H 2.47 0.02 2 126 . 14 GLU HB2 H 2.12 0.02 1 127 . 14 GLU HB3 H 2.12 0.02 1 128 . 14 GLU C C 179.1 0.20 1 129 . 14 GLU CA C 59.1 0.20 1 130 . 14 GLU CB C 29.1 0.20 1 131 . 14 GLU CG C 35.6 0.20 1 132 . 14 GLU N N 120.4 0.25 1 133 . 15 MET H H 8.80 0.02 1 134 . 15 MET HA H 4.01 0.02 1 135 . 15 MET HB2 H 2.36 0.02 2 136 . 15 MET HB3 H 2.22 0.02 2 137 . 15 MET HG2 H 2.67 0.02 1 138 . 15 MET HG3 H 2.67 0.02 1 139 . 15 MET C C 177.8 0.20 1 140 . 15 MET CA C 59.4 0.20 1 141 . 15 MET CB C 32.5 0.20 1 142 . 15 MET N N 118.5 0.25 1 143 . 16 GLN H H 8.39 0.02 1 144 . 16 GLN HA H 3.57 0.02 1 145 . 16 GLN HB2 H 2.35 0.02 2 146 . 16 GLN HB3 H 2.05 0.02 2 147 . 16 GLN HG2 H 2.09 0.02 2 148 . 16 GLN HG3 H 2.27 0.02 2 149 . 16 GLN C C 176.9 0.20 1 150 . 16 GLN CA C 59.9 0.20 1 151 . 16 GLN CB C 27.6 0.20 1 152 . 16 GLN CG C 32.4 0.20 1 153 . 16 GLN N N 119.1 0.25 1 154 . 16 GLN NE2 N 109.1 0.25 1 155 . 16 GLN HE21 H 6.63 0.02 2 156 . 16 GLN HE22 H 7.12 0.02 2 157 . 17 LYS H H 7.29 0.02 1 158 . 17 LYS HA H 4.02 0.02 1 159 . 17 LYS HB2 H 1.95 0.02 1 160 . 17 LYS HB3 H 1.95 0.02 1 161 . 17 LYS HG2 H 1.36 0.02 2 162 . 17 LYS HG3 H 1.58 0.02 2 163 . 17 LYS HD2 H 1.63 0.02 1 164 . 17 LYS HD3 H 1.63 0.02 1 165 . 17 LYS HE2 H 2.94 0.02 1 166 . 17 LYS HE3 H 2.94 0.02 1 167 . 17 LYS C C 179.5 0.20 1 168 . 17 LYS CA C 58.99 0.20 1 169 . 17 LYS CB C 32.3 0.20 1 170 . 17 LYS CG C 24.6 0.20 1 171 . 17 LYS CE C 41.8 0.20 1 172 . 17 LYS N N 116.7 0.25 1 173 . 18 GLU H H 8.17 0.02 1 174 . 18 GLU HA H 4.20 0.02 1 175 . 18 GLU HB2 H 1.93 0.02 1 176 . 18 GLU HB3 H 1.93 0.02 1 177 . 18 GLU HG2 H 2.43 0.02 1 178 . 18 GLU HG3 H 2.43 0.02 1 179 . 18 GLU C C 179.6 0.20 1 180 . 18 GLU CA C 57.9 0.20 1 181 . 18 GLU CB C 28.6 0.20 1 182 . 18 GLU CG C 33.7 0.20 1 183 . 18 GLU N N 117.0 0.25 1 184 . 19 ILE H H 9.08 0.02 1 185 . 19 ILE HA H 3.58 0.02 1 186 . 19 ILE HB H 1.81 0.02 1 187 . 19 ILE HG12 H 1.81 0.02 1 188 . 19 ILE HG13 H 1.81 0.02 1 189 . 19 ILE HG2 H 0.91 0.02 1 190 . 19 ILE HD1 H 0.71 0.02 1 191 . 19 ILE C C 178.0 0.20 1 192 . 19 ILE CA C 66.0 0.20 1 193 . 19 ILE CB C 37.4 0.20 1 194 . 19 ILE CG1 C 24.7 0.20 1 195 . 19 ILE CG2 C 17.5 0.20 1 196 . 19 ILE CD1 C 14.5 0.20 1 197 . 19 ILE N N 118.8 0.25 1 198 . 20 ALA H H 7.90 0.02 1 199 . 20 ALA HA H 3.98 0.02 1 200 . 20 ALA HB H 1.55 0.02 1 201 . 20 ALA C C 180.1 0.20 1 202 . 20 ALA CA C 55.8 0.20 1 203 . 20 ALA CB C 18.0 0.20 1 204 . 20 ALA N N 120.7 0.25 1 205 . 21 LEU H H 7.46 0.02 1 206 . 21 LEU HA H 4.09 0.02 1 207 . 21 LEU HB2 H 1.65 0.02 2 208 . 21 LEU HB3 H 1.84 0.02 2 209 . 21 LEU HG H 1.73 0.02 1 210 . 21 LEU HD1 H 0.88 0.02 1 211 . 21 LEU HD2 H 0.88 0.02 1 212 . 21 LEU C C 179.3 0.20 1 213 . 21 LEU CA C 58.1 0.20 1 214 . 21 LEU CB C 41.9 0.20 1 215 . 21 LEU CG C 26.9 0.20 1 216 . 21 LEU CD1 C 24.1 0.20 1 217 . 21 LEU N N 117.6 0.25 1 218 . 22 ILE H H 7.96 0.02 1 219 . 22 ILE HA H 3.57 0.02 1 220 . 22 ILE HB H 1.93 0.02 1 221 . 22 ILE HG12 H 1.40 0.02 1 222 . 22 ILE HG13 H 1.40 0.02 1 223 . 22 ILE HG2 H 0.80 0.02 1 224 . 22 ILE HD1 H 0.73 0.02 1 225 . 22 ILE C C 178.8 0.20 1 226 . 22 ILE CA C 65.2 0.20 1 227 . 22 ILE CB C 38.4 0.20 1 228 . 22 ILE CG2 C 18.3 0.20 1 229 . 22 ILE CD1 C 14.8 0.20 1 230 . 22 ILE N N 120.4 0.25 1 231 . 23 LEU H H 8.52 0.02 1 232 . 23 LEU HA H 3.899 0.02 1 233 . 23 LEU HB2 H 1.90 0.02 2 234 . 23 LEU HB3 H 1.46 0.02 2 235 . 23 LEU HG H 1.90 0.02 1 236 . 23 LEU HD1 H 0.70 0.02 1 237 . 23 LEU HD2 H 0.70 0.02 1 238 . 23 LEU C C 178.4 0.20 1 239 . 23 LEU CA C 57.6 0.20 1 240 . 23 LEU CB C 40.8 0.20 1 241 . 23 LEU CG C 25.2 0.20 1 242 . 23 LEU CD1 C 23.0 0.20 1 243 . 23 LEU CD2 C 23.0 0.20 1 244 . 23 LEU N N 118.0 0.25 1 245 . 24 GLN H H 7.72 0.02 1 246 . 24 GLN HA H 4.17 0.02 1 247 . 24 GLN HG2 H 2.59 0.02 1 248 . 24 GLN HG3 H 2.59 0.02 1 249 . 24 GLN HB2 H 2.19 0.02 1 250 . 24 GLN HB3 H 2.19 0.02 1 251 . 24 GLN HE21 H 7.46 0.02 2 252 . 24 GLN HE22 H 6.77 0.02 2 253 . 24 GLN C C 178.2 0.20 1 254 . 24 GLN CA C 57.9 0.20 1 255 . 24 GLN CB C 29.2 0.20 1 256 . 24 GLN CG C 33.8 0.20 1 257 . 24 GLN N N 114.5 0.25 1 258 . 24 GLN NE2 N 110.2 0.25 1 259 . 25 ARG H H 8.10 0.02 1 260 . 25 ARG HA H 4.46 0.02 1 261 . 25 ARG HB2 H 1.86 0.02 1 262 . 25 ARG HB3 H 1.86 0.02 1 263 . 25 ARG HG2 H 1.63 0.02 1 264 . 25 ARG HG3 H 1.63 0.02 1 265 . 25 ARG HD2 H 3.14 0.02 1 266 . 25 ARG HD3 H 3.14 0.02 1 267 . 25 ARG C C 177.9 0.20 1 268 . 25 ARG CA C 57.4 0.20 1 269 . 25 ARG CB C 32.8 0.20 1 270 . 25 ARG CD C 43.2 0.20 1 271 . 25 ARG CG C 27.3 0.20 1 272 . 25 ARG N N 114.4 0.25 1 273 . 26 GLU H H 8.42 0.02 1 274 . 26 GLU HA H 4.68 0.02 1 275 . 26 GLU HG2 H 2.28 0.02 1 276 . 26 GLU HG3 H 2.28 0.02 1 277 . 26 GLU HB2 H 1.92 0.02 1 278 . 26 GLU HB3 H 1.92 0.02 1 279 . 26 GLU C C 176.4 0.20 1 280 . 26 GLU CA C 56.1 0.20 1 281 . 26 GLU CB C 30.4 0.20 1 282 . 26 GLU CG C 34.4 0.20 1 283 . 26 GLU N N 114.0 0.25 1 284 . 27 ILE H H 7.23 0.02 1 285 . 27 ILE HA H 4.26 0.02 1 286 . 27 ILE HB H 2.13 0.02 1 287 . 27 ILE HG12 H 1.24 0.02 2 288 . 27 ILE HG13 H 1.49 0.02 2 289 . 27 ILE HD1 H 0.75 0.02 1 290 . 27 ILE HG2 H 0.81 0.02 1 291 . 27 ILE C C 175.3 0.20 1 292 . 27 ILE CA C 59.3 0.20 1 293 . 27 ILE CB C 36.7 0.20 1 294 . 27 ILE CG1 C 26.9 0.20 2 295 . 27 ILE CG2 C 17.0 0.20 2 296 . 27 ILE CD1 C 10.9 0.20 2 297 . 27 ILE N N 117.8 0.25 1 298 . 28 LYS H H 8.48 0.02 1 299 . 28 LYS HA H 4.36 0.02 1 300 . 28 LYS HE2 H 2.88 0.02 1 301 . 28 LYS HE3 H 2.88 0.02 1 302 . 28 LYS HG2 H 1.31 0.02 2 303 . 28 LYS HG3 H 1.25 0.02 2 304 . 28 LYS HB2 H 1.76 0.02 2 305 . 28 LYS HB3 H 1.65 0.02 2 306 . 28 LYS HD2 H 1.61 0.02 1 307 . 28 LYS HD3 H 1.61 0.02 1 308 . 28 LYS C C 175.5 0.20 1 309 . 28 LYS CA C 54.9 0.20 1 310 . 28 LYS CB C 32.2 0.20 1 311 . 28 LYS CG C 24.3 0.20 1 312 . 28 LYS CD C 28.2 0.20 1 313 . 28 LYS CE C 42.0 0.20 1 314 . 28 LYS N N 126.0 0.25 1 315 . 29 ASP H H 7.81 0.02 1 316 . 29 ASP HA H 4.86 0.02 1 317 . 29 ASP HB2 H 2.46 0.02 1 318 . 29 ASP HB3 H 2.46 0.02 1 319 . 29 ASP CA C 51.5 0.20 1 320 . 29 ASP CB C 43.5 0.20 1 321 . 29 ASP N N 122.1 0.25 1 322 . 30 PRO HA H 4.35 0.02 1 323 . 30 PRO HB2 H 1.94 0.02 2 324 . 30 PRO HB3 H 1.99 0.02 2 325 . 30 PRO HD2 H 3.81 0.02 1 326 . 30 PRO HD3 H 3.81 0.02 1 327 . 30 PRO HG2 H 1.94 0.02 1 328 . 30 PRO HG3 H 1.94 0.02 1 329 . 30 PRO C C 178.2 0.20 1 330 . 30 PRO CA C 64.0 0.20 1 331 . 30 PRO CB C 32.0 0.20 1 332 . 30 PRO CG C 26.8 0.20 1 333 . 30 PRO CD C 51.2 0.20 1 334 . 31 ARG H H 8.83 0.02 1 335 . 31 ARG HA H 3.988 0.02 1 336 . 31 ARG HB2 H 1.58 0.02 2 337 . 31 ARG HB3 H 1.64 0.02 2 338 . 31 ARG HD2 H 3.04 0.02 1 339 . 31 ARG HD3 H 3.04 0.02 1 340 . 31 ARG C C 177.0 0.20 1 341 . 31 ARG CA C 57.3 0.20 1 342 . 31 ARG CB C 30.0 0.20 1 343 . 31 ARG CG C 32.5 0.20 1 344 . 31 ARG CD C 42.6 0.20 1 345 . 31 ARG N N 117.1 0.25 1 346 . 32 LEU H H 7.69 0.02 1 347 . 32 LEU HA H 4.33 0.02 1 348 . 32 LEU HB2 H 1.60 0.02 1 349 . 32 LEU HB3 H 1.60 0.02 1 350 . 32 LEU HG H 1.30 0.02 1 351 . 32 LEU HD1 H 0.69 0.02 1 352 . 32 LEU HD2 H 0.69 0.02 1 353 . 32 LEU C C 177.9 0.20 1 354 . 32 LEU CA C 54.4 0.20 1 355 . 32 LEU CB C 42.1 0.20 1 356 . 32 LEU CG C 23.3 0.20 1 357 . 32 LEU CD1 C 25.0 0.20 1 358 . 32 LEU CD2 C 25.0 0.20 1 359 . 32 LEU N N 117.6 0.25 1 360 . 33 GLY H H 7.91 0.02 1 361 . 33 GLY HA2 H 3.92 0.02 1 362 . 33 GLY HA3 H 3.92 0.02 1 363 . 33 GLY C C 174.9 0.20 1 364 . 33 GLY CA C 45.8 0.20 1 365 . 33 GLY N N 106.7 0.25 1 366 . 34 MET H H 8.22 0.02 1 367 . 34 MET HA H 4.46 0.02 1 368 . 34 MET HB2 H 2.52 0.02 2 369 . 34 MET HB3 H 2.57 0.02 2 370 . 34 MET CA C 55.7 0.20 1 371 . 34 MET CB C 32.0 0.20 1 372 . 34 MET N N 117.3 0.25 1 373 . 35 MET HA H 4.51 0.02 1 374 . 35 MET HG2 H 2.52 0.02 1 375 . 35 MET HG3 H 2.52 0.02 1 376 . 35 MET HB2 H 2.04 0.02 2 377 . 35 MET HB3 H 2.14 0.02 2 378 . 35 MET CA C 55.9 0.20 1 379 . 35 MET CB C 32.99 0.20 1 380 . 36 THR HB H 3.92 0.02 1 381 . 36 THR HG2 H 1.04 0.02 1 382 . 36 THR CB C 69.7 0.20 1 383 . 37 THR H H 8.62 0.02 1 384 . 37 THR HA H 4.56 0.02 1 385 . 37 THR HB H 3.97 0.02 1 386 . 37 THR HG2 H 0.98 0.02 1 387 . 37 THR C C 173.0 0.20 1 388 . 37 THR CA C 60.8 0.20 1 389 . 37 THR CB C 70.5 0.20 1 390 . 37 THR CG2 C 20.7 0.20 1 391 . 37 THR N N 111.7 0.25 1 392 . 38 VAL H H 8.75 0.02 1 393 . 38 VAL HA H 4.57 0.02 1 394 . 38 VAL HB H 2.11 0.02 1 395 . 38 VAL HG1 H 0.90 0.02 1 396 . 38 VAL HG2 H 0.90 0.02 1 397 . 38 VAL C C 175.7 0.20 1 398 . 38 VAL CA C 61.1 0.20 1 399 . 38 VAL CB C 31.7 0.20 1 400 . 38 VAL CG1 C 21.8 0.20 1 401 . 38 VAL CG2 C 21.8 0.20 1 402 . 38 VAL N N 123.6 0.25 1 403 . 39 SER H H 9.25 0.02 1 404 . 39 SER HA H 4.33 0.02 1 405 . 39 SER HB2 H 3.75 0.02 2 406 . 39 SER HB3 H 3.53 0.02 2 407 . 39 SER C C 175.8 0.20 1 408 . 39 SER CA C 58.8 0.20 1 409 . 39 SER CB C 63.5 0.20 1 410 . 39 SER N N 125.1 0.25 1 411 . 40 GLY H H 7.59 0.02 1 412 . 40 GLY HA2 H 4.00 0.02 1 413 . 40 GLY HA3 H 4.00 0.02 1 414 . 40 GLY C C 170.5 0.20 1 415 . 40 GLY CA C 45.8 0.20 1 416 . 40 GLY N N 107.7 0.25 1 417 . 41 VAL H H 8.26 0.02 1 418 . 41 VAL HA H 5.06 0.02 1 419 . 41 VAL HB H 1.95 0.02 1 420 . 41 VAL HG1 H 0.74 0.02 1 421 . 41 VAL HG2 H 0.74 0.02 1 422 . 41 VAL C C 174.3 0.20 1 423 . 41 VAL CA C 60.6 0.20 1 424 . 41 VAL CB C 36.0 0.20 1 425 . 41 VAL CG1 C 22.0 0.20 1 426 . 41 VAL CG2 C 22.0 0.20 1 427 . 41 VAL N N 119.8 0.25 1 428 . 42 GLU H H 9.23 0.02 1 429 . 42 GLU HA H 4.67 0.02 1 430 . 42 GLU HB2 H 2.00 0.02 1 431 . 42 GLU HB3 H 2.00 0.02 1 432 . 42 GLU C C 175.6 0.20 1 433 . 42 GLU CA C 54.2 0.20 1 434 . 42 GLU CB C 32.6 0.20 1 435 . 42 GLU CG C 35.4 0.20 1 436 . 42 GLU N N 125.7 0.25 1 437 . 43 MET H H 9.10 0.02 1 438 . 43 MET HA H 5.20 0.02 1 439 . 43 MET HB2 H 2.14 0.02 2 440 . 43 MET HB3 H 1.89 0.02 2 441 . 43 MET HG2 H 2.61 0.02 1 442 . 43 MET HG3 H 2.61 0.02 1 443 . 43 MET C C 176.9 0.20 1 444 . 43 MET CA C 53.1 0.20 1 445 . 43 MET CB C 33.7 0.20 1 446 . 43 MET CG C 31.7 0.20 1 447 . 43 MET N N 124.8 0.25 1 448 . 44 SER H H 8.74 0.02 1 449 . 44 SER HA H 4.37 0.02 1 450 . 44 SER HB2 H 3.88 0.02 1 451 . 44 SER HB3 H 3.88 0.02 1 452 . 44 SER C C 176.7 0.20 1 453 . 44 SER CA C 58.2 0.20 1 454 . 44 SER CB C 63.5 0.20 1 455 . 44 SER N N 117.9 0.25 1 456 . 45 ARG H H 8.94 0.02 1 457 . 45 ARG HA H 3.988 0.02 1 458 . 45 ARG HB2 H 1.84 0.02 2 459 . 45 ARG HB3 H 1.65 0.02 2 460 . 45 ARG HG2 H 1.7 0.02 1 461 . 45 ARG HG3 H 1.7 0.02 1 462 . 45 ARG HD2 H 3.17 0.02 1 463 . 45 ARG HD3 H 3.17 0.02 1 464 . 45 ARG C C 176.9 0.20 1 465 . 45 ARG CA C 59.0 0.20 1 466 . 45 ARG CB C 29.4 0.20 1 467 . 45 ARG CG C 27.0 0.20 1 468 . 45 ARG CD C 42.9 0.20 1 469 . 45 ARG N N 121.8 0.25 1 470 . 46 ASP H H 7.92 0.02 1 471 . 46 ASP HA H 4.39 0.02 1 472 . 46 ASP HB2 H 3.03 0.02 2 473 . 46 ASP HB3 H 2.54 0.02 2 474 . 46 ASP C C 176.3 0.20 1 475 . 46 ASP CA C 52.6 0.20 1 476 . 46 ASP CB C 39.9 0.20 1 477 . 46 ASP N N 113.9 0.25 1 478 . 47 LEU H H 7.97 0.02 1 479 . 47 LEU HA H 3.66 0.02 1 480 . 47 LEU HB2 H 2.08 0.02 2 481 . 47 LEU HB3 H 1.53 0.02 2 482 . 47 LEU HD1 H 0.84 0.02 1 483 . 47 LEU HD2 H 0.84 0.02 1 484 . 47 LEU C C 174.8 0.20 1 485 . 47 LEU CA C 56.8 0.20 1 486 . 47 LEU CB C 38.5 0.20 1 487 . 47 LEU CG C 27.4 0.20 1 488 . 47 LEU CD1 C 25.6 0.20 2 489 . 47 LEU CD2 C 23.3 0.20 2 490 . 47 LEU N N 113.6 0.25 1 491 . 48 ALA H H 7.54 0.02 1 492 . 48 ALA HA H 3.94 0.02 1 493 . 48 ALA HB H 1.08 0.02 1 494 . 48 ALA C C 177.4 0.20 1 495 . 48 ALA CA C 53.1 0.20 1 496 . 48 ALA CB C 19.5 0.20 1 497 . 48 ALA N N 118.1 0.25 1 498 . 49 TYR H H 7.95 0.02 1 499 . 49 TYR HA H 4.97 0.02 1 500 . 49 TYR HB2 H 2.70 0.02 2 501 . 49 TYR HB3 H 3.00 0.02 2 502 . 49 TYR C C 173.5 0.20 1 503 . 49 TYR CA C 56.6 0.20 1 504 . 49 TYR CB C 41.5 0.20 1 505 . 49 TYR CD1 C 133.5 0.20 1 506 . 49 TYR CD2 C 133.5 0.20 1 507 . 49 TYR CE1 C 117.8 0.20 1 508 . 49 TYR CE2 C 117.8 0.20 1 509 . 49 TYR HD1 H 7.09 0.02 1 510 . 49 TYR HD2 H 7.09 0.02 1 511 . 49 TYR HE1 H 6.80 0.02 1 512 . 49 TYR HE2 H 6.80 0.02 1 513 . 49 TYR N N 115.8 0.25 1 514 . 50 ALA H H 8.88 0.02 1 515 . 50 ALA HA H 5.15 0.02 1 516 . 50 ALA HB H 0.98 0.02 1 517 . 50 ALA C C 175.5 0.20 1 518 . 50 ALA CA C 50.6 0.20 1 519 . 50 ALA CB C 21.9 0.20 1 520 . 50 ALA N N 123.0 0.25 1 521 . 51 LYS H H 8.79 0.02 1 522 . 51 LYS HA H 4.75 0.02 1 523 . 51 LYS HB2 H 1.66 0.02 2 524 . 51 LYS HB3 H 1.32 0.02 2 525 . 51 LYS HE2 H 2.62 0.02 1 526 . 51 LYS HE3 H 2.62 0.02 1 527 . 51 LYS HG2 H 1.19 0.02 2 528 . 51 LYS HG3 H 1.51 0.02 2 529 . 51 LYS C C 174.6 0.20 1 530 . 51 LYS CA C 54.6 0.20 1 531 . 51 LYS CB C 34.0 0.20 1 532 . 51 LYS CG C 25.0 0.20 1 533 . 51 LYS CE C 41.7 0.20 1 534 . 51 LYS N N 122.9 0.25 1 535 . 52 VAL H H 8.82 0.02 1 536 . 52 VAL HA H 4.28 0.02 1 537 . 52 VAL HB H 1.41 0.02 1 538 . 52 VAL HG1 H 0.86 0.02 2 539 . 52 VAL HG2 H 0.37 0.02 2 540 . 52 VAL C C 173.8 0.20 1 541 . 52 VAL CA C 61.1 0.20 1 542 . 52 VAL CB C 32.3 0.20 1 543 . 52 VAL CG1 C 22.4 0.20 2 544 . 52 VAL CG2 C 20.6 0.20 2 545 . 52 VAL N N 123.9 0.25 1 546 . 53 TYR H H 8.81 0.02 1 547 . 53 TYR HA H 5.27 0.02 1 548 . 53 TYR HB2 H 2.66 0.02 1 549 . 53 TYR HB3 H 2.66 0.02 1 550 . 53 TYR C C 176.2 0.20 1 551 . 53 TYR CA C 57.2 0.20 1 552 . 53 TYR CB C 39.5 0.20 1 553 . 53 TYR N N 126.9 0.25 1 554 . 53 TYR CD1 C 132.7 0.20 1 555 . 53 TYR CD2 C 132.7 0.20 1 556 . 53 TYR CE1 C 117.8 0.20 1 557 . 53 TYR CE2 C 117.8 0.20 1 558 . 53 TYR HD1 H 6.70 0.02 1 559 . 53 TYR HD2 H 6.70 0.02 1 560 . 53 TYR HE1 H 6.39 0.02 1 561 . 53 TYR HE2 H 6.39 0.02 1 562 . 54 VAL H H 8.71 0.02 1 563 . 54 VAL HA H 5.48 0.02 1 564 . 54 VAL HB H 2.04 0.02 1 565 . 54 VAL HG1 H 0.67 0.02 1 566 . 54 VAL HG2 H 0.67 0.02 1 567 . 54 VAL C C 174.7 0.20 1 568 . 54 VAL CA C 58.5 0.20 1 569 . 54 VAL CB C 35.6 0.20 1 570 . 54 VAL CG2 C 19.1 0.20 1 571 . 54 VAL CG1 C 19.1 0.20 1 572 . 54 VAL N N 115.0 0.25 1 573 . 55 THR HA H 4.39 0.02 1 574 . 55 THR HB H 4.12 0.02 1 575 . 55 THR HG2 H 1.06 0.02 1 576 . 55 THR H H 8.60 0.02 1 577 . 55 THR C C 172.6 0.20 1 578 . 55 THR CA C 60.0 0.20 1 579 . 55 THR CB C 71.0 0.20 1 580 . 55 THR CG2 C 21.8 0.20 1 581 . 55 THR N N 111.9 0.25 1 582 . 56 PHE H H 8.14 0.02 1 583 . 56 PHE HA H 5.44 0.02 1 584 . 56 PHE HB2 H 3.40 0.02 2 585 . 56 PHE HB3 H 2.99 0.02 2 586 . 56 PHE HE1 H 7.15 0.02 1 587 . 56 PHE HE2 H 7.15 0.02 1 588 . 56 PHE HD1 H 6.93 0.02 1 589 . 56 PHE HD2 H 6.93 0.02 1 590 . 56 PHE HZ H 7.28 0.02 1 591 . 56 PHE C C 176.2 0.20 1 592 . 56 PHE CA C 55.2 0.20 1 593 . 56 PHE CB C 41.2 0.20 1 594 . 56 PHE CE1 C 131.7 0.20 1 595 . 56 PHE CE2 C 131.7 0.20 1 596 . 56 PHE CD1 C 131.7 0.20 1 597 . 56 PHE CD2 C 131.7 0.20 1 598 . 56 PHE CZ C 132.1 0.20 1 599 . 56 PHE N N 118.5 0.25 1 600 . 57 LEU H H 8.35 0.02 1 601 . 57 LEU HA H 4.21 0.02 1 602 . 57 LEU HB2 H 1.67 0.02 1 603 . 57 LEU HB3 H 1.67 0.02 1 604 . 57 LEU HG H 1.67 0.02 1 605 . 57 LEU HD1 H 0.93 0.02 1 606 . 57 LEU HD2 H 0.93 0.02 1 607 . 57 LEU C C 177.6 0.20 1 608 . 57 LEU CA C 56.6 0.20 1 609 . 57 LEU CB C 42.4 0.20 1 610 . 57 LEU CG C 27.0 0.20 1 611 . 57 LEU CD1 C 24.5 0.20 1 612 . 57 LEU CD2 C 24.5 0.20 1 613 . 57 LEU N N 120.4 0.25 1 614 . 58 ASN H H 8.30 0.02 1 615 . 58 ASN HA H 4.82 0.02 1 616 . 58 ASN HB2 H 2.95 0.02 2 617 . 58 ASN HB3 H 2.69 0.02 2 618 . 58 ASN HD21 H 7.52 0.02 2 619 . 58 ASN HD22 H 6.83 0.02 2 620 . 58 ASN C C 174.5 0.20 1 621 . 58 ASN CA C 52.3 0.20 1 622 . 58 ASN CB C 37.9 0.20 1 623 . 58 ASN N N 115.5 0.25 1 624 . 58 ASN ND2 N 111.1 0.25 1 625 . 59 ASP H H 8.05 0.02 1 626 . 59 ASP HA H 4.47 0.02 1 627 . 59 ASP HB2 H 2.74 0.02 1 628 . 59 ASP HB3 H 2.74 0.02 1 629 . 59 ASP C C 176.2 0.20 1 630 . 59 ASP CA C 53.3 0.20 1 631 . 59 ASP CB C 39.8 0.20 1 632 . 59 ASP N N 118.5 0.25 1 633 . 60 LYS H H 8.14 0.02 1 634 . 60 LYS HA H 4.18 0.02 1 635 . 60 LYS HB2 H 1.82 0.02 2 636 . 60 LYS HB3 H 1.41 0.02 2 637 . 60 LYS HG2 H 1.44 0.02 1 638 . 60 LYS HG3 H 1.44 0.02 1 639 . 60 LYS HE2 H 2.97 0.02 1 640 . 60 LYS HE3 H 2.97 0.02 1 641 . 60 LYS C C 176.2 0.20 1 642 . 60 LYS CA C 56.5 0.20 1 643 . 60 LYS CB C 32.4 0.20 1 644 . 60 LYS CG C 24.6 0.20 1 645 . 60 LYS CD C 32.4 0.20 1 646 . 60 LYS CE C 41.9 0.20 1 647 . 60 LYS N N 118.0 0.25 1 648 . 61 ASP H H 7.63 0.02 1 649 . 61 ASP HA H 4.65 0.02 1 650 . 61 ASP HB2 H 2.87 0.02 2 651 . 61 ASP HB3 H 2.67 0.02 2 652 . 61 ASP C C 175.7 0.20 1 653 . 61 ASP CA C 52.3 0.20 1 654 . 61 ASP CB C 41.0 0.20 1 655 . 61 ASP N N 118.0 0.25 1 656 . 62 GLU H H 8.62 0.02 1 657 . 62 GLU HA H 3.84 0.02 1 658 . 62 GLU HB2 H 2.03 0.02 2 659 . 62 GLU HB3 H 1.98 0.02 2 660 . 62 GLU HG2 H 2.34 0.02 1 661 . 62 GLU HG3 H 2.34 0.02 1 662 . 62 GLU C C 178.5 0.20 1 663 . 62 GLU CA C 59.1 0.20 1 664 . 62 GLU CB C 29.2 0.20 1 665 . 62 GLU CG C 34.8 0.20 1 666 . 62 GLU N N 122.5 0.25 1 667 . 63 ASP H H 8.28 0.02 1 668 . 63 ASP HA H 4.34 0.02 1 669 . 63 ASP HB2 H 2.70 0.02 2 670 . 63 ASP HB3 H 2.58 0.02 2 671 . 63 ASP C C 178.8 0.20 1 672 . 63 ASP CA C 57.1 0.20 1 673 . 63 ASP CB C 39.7 0.20 1 674 . 63 ASP N N 118.4 0.25 1 675 . 64 ALA H H 7.83 0.02 1 676 . 64 ALA N N 124.2 0.25 1 677 . 64 ALA HA H 4.07 0.02 1 678 . 64 ALA HB H 1.39 0.02 1 679 . 64 ALA C C 175.6 0.20 1 680 . 64 ALA CA C 54.4 0.20 1 681 . 64 ALA CB C 18.0 0.20 1 682 . 65 VAL H H 7.85 0.02 1 683 . 65 VAL HA H 3.19 0.02 1 684 . 65 VAL HB H 1.83 0.02 1 685 . 65 VAL HG1 H 0.57 0.02 2 686 . 65 VAL HG2 H 0.30 0.02 2 687 . 65 VAL C C 177.7 0.20 1 688 . 65 VAL CA C 66.1 0.20 1 689 . 65 VAL CB C 31.0 0.20 1 690 . 65 VAL CG1 C 22.0 0.20 2 691 . 65 VAL CG2 C 20.6 0.20 2 692 . 65 VAL N N 119.8 0.25 1 693 . 66 LYS H H 7.94 0.02 1 694 . 66 LYS HA H 3.77 0.02 1 695 . 66 LYS HB2 H 1.82 0.02 1 696 . 66 LYS HB3 H 1.82 0.02 1 697 . 66 LYS HG2 H 1.39 0.02 2 698 . 66 LYS HG3 H 1.52 0.02 2 699 . 66 LYS C C 179.9 0.20 1 700 . 66 LYS CA C 59.6 0.20 1 701 . 66 LYS CB C 32.2 0.20 1 702 . 66 LYS CG C 23.5 0.20 1 703 . 66 LYS N N 117.5 0.25 1 704 . 67 ALA H H 7.90 0.02 1 705 . 67 ALA HA H 4.07 0.02 1 706 . 67 ALA HB H 1.41 0.02 1 707 . 67 ALA C C 179.9 0.20 1 708 . 67 ALA CA C 54.4 0.20 1 709 . 67 ALA CB C 17.7 0.20 1 710 . 67 ALA N N 120.7 0.25 1 711 . 68 GLY H H 8.05 0.02 1 712 . 68 GLY HA2 H 3.46 0.02 2 713 . 68 GLY HA3 H 3.34 0.02 2 714 . 68 GLY C C 175.3 0.20 1 715 . 68 GLY CA C 46.9 0.20 1 716 . 68 GLY N N 107.5 0.25 1 717 . 69 ILE H H 8.25 0.02 1 718 . 69 ILE HA H 3.80 0.02 1 719 . 69 ILE HB H 2.14 0.02 1 720 . 69 ILE HG2 H 0.83 0.02 1 721 . 69 ILE HG12 H 1.60 0.02 1 722 . 69 ILE HG13 H 1.60 0.02 1 723 . 69 ILE HD1 H 0.72 0.02 1 724 . 69 ILE C C 181.2 0.20 1 725 . 69 ILE CA C 62.2 0.20 1 726 . 69 ILE CB C 35.2 0.20 1 727 . 69 ILE CG2 C 17.1 0.20 1 728 . 69 ILE CD1 C 10.1 0.20 1 729 . 69 ILE N N 120.8 0.25 1 730 . 70 LYS H H 7.82 0.02 1 731 . 70 LYS CA C 59.2 0.20 1 732 . 70 LYS CB C 27.2 0.20 1 733 . 70 LYS N N 119.7 0.25 1 734 . 71 ALA H H 7.93 0.02 1 735 . 71 ALA HA H 3.92 0.02 1 736 . 71 ALA HB H 1.30 0.02 1 737 . 71 ALA C C 181.0 0.20 1 738 . 71 ALA CA C 54.9 0.20 1 739 . 71 ALA CB C 18.2 0.20 1 740 . 71 ALA N N 120.2 0.25 1 741 . 72 LEU H H 7.69 0.02 1 742 . 72 LEU HA H 3.47 0.02 1 743 . 72 LEU HB2 H 1.39 0.02 1 744 . 72 LEU HB3 H 1.39 0.02 1 745 . 72 LEU HD1 H 0.68 0.02 1 746 . 72 LEU HD2 H 0.68 0.02 1 747 . 72 LEU C C 177.9 0.20 1 748 . 72 LEU CA C 57.5 0.20 1 749 . 72 LEU CB C 39.9 0.20 1 750 . 72 LEU CG C 26.2 0.20 1 751 . 72 LEU CD1 C 23.4 0.20 1 752 . 72 LEU CD2 C 23.4 0.20 1 753 . 72 LEU N N 118.8 0.25 1 754 . 73 GLN H H 8.42 0.02 1 755 . 73 GLN HA H 4.00 0.02 1 756 . 73 GLN HB2 H 2.40 0.02 2 757 . 73 GLN HB3 H 2.26 0.02 2 758 . 73 GLN HG2 H 2.56 0.02 1 759 . 73 GLN HG3 H 2.56 0.02 1 760 . 73 GLN HE21 H 6.88 0.02 2 761 . 73 GLN HE22 H 7.61 0.02 2 762 . 73 GLN C C 181.6 0.20 1 763 . 73 GLN CA C 58.6 0.20 1 764 . 73 GLN CB C 28.4 0.20 1 765 . 73 GLN CG C 33.9 0.20 1 766 . 73 GLN N N 117.7 0.25 1 767 . 73 GLN NE2 N 114.0 0.25 1 768 . 74 GLU H H 8.74 0.02 1 769 . 74 GLU HA H 4.09 0.02 1 770 . 74 GLU HB2 H 2.12 0.02 1 771 . 74 GLU HB3 H 2.12 0.02 1 772 . 74 GLU HG2 H 2.60 0.02 2 773 . 74 GLU HG3 H 2.34 0.02 2 774 . 74 GLU C C 178.4 0.20 1 775 . 74 GLU CA C 58.7 0.20 1 776 . 74 GLU CB C 29.1 0.20 1 777 . 74 GLU CG C 36.2 0.20 1 778 . 74 GLU N N 119.5 0.25 1 779 . 75 ALA H H 7.53 0.02 1 780 . 75 ALA HA H 4.70 0.02 1 781 . 75 ALA HB H 1.51 0.02 1 782 . 75 ALA C C 178.3 0.20 1 783 . 75 ALA CA C 51.7 0.20 1 784 . 75 ALA CB C 18.2 0.20 1 785 . 75 ALA N N 119.8 0.25 1 786 . 76 SER H H 7.79 0.02 1 787 . 76 SER HA H 3.98 0.02 1 788 . 76 SER HB2 H 4.38 0.02 2 789 . 76 SER HB3 H 4.22 0.02 2 790 . 76 SER C C 176.4 0.20 1 791 . 76 SER CA C 63.3 0.20 1 792 . 76 SER CB C 62.9 0.20 1 793 . 76 SER N N 115.8 0.25 1 794 . 77 GLY H H 8.83 0.02 1 795 . 77 GLY HA2 H 3.88 0.02 2 796 . 77 GLY HA3 H 4.02 0.02 2 797 . 77 GLY C C 176.5 0.20 1 798 . 77 GLY CA C 47.2 0.20 1 799 . 77 GLY N N 110.7 0.25 1 800 . 78 PHE H H 8.09 0.02 1 801 . 78 PHE HA H 4.56 0.02 1 802 . 78 PHE HB2 H 3.33 0.02 2 803 . 78 PHE HB3 H 3.24 0.02 2 804 . 78 PHE C C 178.2 0.20 1 805 . 78 PHE CA C 59.6 0.20 1 806 . 78 PHE CB C 38.7 0.20 1 807 . 78 PHE N N 125.4 0.25 1 808 . 79 ILE H H 8.81 0.02 1 809 . 79 ILE HA H 3.31 0.02 1 810 . 79 ILE HB H 1.92 0.02 1 811 . 79 ILE HG2 H 0.85 0.02 1 812 . 79 ILE HD1 H 0.77 0.02 1 813 . 79 ILE C C 177.8 0.20 1 814 . 79 ILE CA C 66.1 0.20 1 815 . 79 ILE CB C 38.1 0.20 1 816 . 79 ILE CG1 C 28.7 0.20 1 817 . 79 ILE CG2 C 17.0 0.20 1 818 . 79 ILE CD1 C 14.2 0.20 1 819 . 79 ILE N N 119.2 0.25 1 820 . 80 ARG H H 8.85 0.02 1 821 . 80 ARG C C 178.2 0.20 1 822 . 80 ARG CA C 60.5 0.20 1 823 . 80 ARG CB C 30.3 0.20 1 824 . 80 ARG CD C 44.0 0.20 1 825 . 80 ARG HA H 3.72 0.02 1 826 . 80 ARG HB2 H 1.95 0.02 1 827 . 80 ARG HB3 H 1.95 0.02 1 828 . 80 ARG HG2 H 1.38 0.02 1 829 . 80 ARG HG3 H 1.38 0.02 1 830 . 80 ARG HD2 H 3.37 0.02 2 831 . 80 ARG HD3 H 3.20 0.02 2 832 . 80 ARG N N 118.2 0.25 1 833 . 81 SER H H 7.84 0.02 1 834 . 81 SER HA H 4.18 0.02 1 835 . 81 SER HB2 H 4.04 0.02 1 836 . 81 SER HB3 H 4.04 0.02 1 837 . 81 SER C C 177.7 0.20 1 838 . 81 SER CA C 61.2 0.20 1 839 . 81 SER CB C 62.4 0.20 1 840 . 81 SER N N 114.5 0.25 1 841 . 82 LEU H H 7.66 0.02 1 842 . 82 LEU HA H 3.98 0.02 1 843 . 82 LEU HB2 H 1.24 0.02 2 844 . 82 LEU HB3 H 1.74 0.02 2 845 . 82 LEU HG H 1.26 0.02 1 846 . 82 LEU HD1 H 0.33 0.02 2 847 . 82 LEU HD2 H 0.66 0.02 2 848 . 82 LEU C C 180.5 0.20 1 849 . 82 LEU CA C 57.4 0.20 1 850 . 82 LEU CB C 41.3 0.20 1 851 . 82 LEU CG C 26.8 0.20 1 852 . 82 LEU CD2 C 22.1 0.20 1 853 . 82 LEU CD1 C 22.1 0.20 1 854 . 82 LEU N N 122.0 0.25 1 855 . 83 LEU H H 8.78 0.02 1 856 . 83 LEU HA H 3.87 0.02 1 857 . 83 LEU HB2 H 1.66 0.02 1 858 . 83 LEU HB3 H 1.66 0.02 1 859 . 83 LEU HD1 H 0.72 0.02 2 860 . 83 LEU HD2 H 0.80 0.02 2 861 . 83 LEU C C 178.8 0.20 1 862 . 83 LEU CA C 57.7 0.20 1 863 . 83 LEU CB C 42.5 0.20 1 864 . 83 LEU CD1 C 21.6 0.20 2 865 . 83 LEU CD2 C 25.5 0.20 2 866 . 83 LEU N N 122.6 0.25 1 867 . 84 GLY H H 8.34 0.02 1 868 . 84 GLY HA2 H 3.66 0.02 2 869 . 84 GLY HA3 H 3.93 0.02 2 870 . 84 GLY C C 175.8 0.20 1 871 . 84 GLY CA C 47.5 0.20 1 872 . 84 GLY N N 104.0 0.25 1 873 . 85 LYS H H 7.16 0.02 1 874 . 85 LYS HA H 4.16 0.02 1 875 . 85 LYS HB2 H 1.86 0.02 1 876 . 85 LYS HB3 H 1.86 0.02 1 877 . 85 LYS HE2 H 2.95 0.02 1 878 . 85 LYS HE3 H 2.95 0.02 1 879 . 85 LYS HG2 H 1.42 0.02 1 880 . 85 LYS HG3 H 1.42 0.02 1 881 . 85 LYS HD2 H 1.71 0.02 1 882 . 85 LYS HD3 H 1.71 0.02 1 883 . 85 LYS CA C 57.9 0.20 1 884 . 85 LYS CB C 32.5 0.20 1 885 . 85 LYS CG C 24.8 0.20 1 886 . 85 LYS CE C 41.8 0.20 1 887 . 85 LYS N N 118.0 0.25 1 888 . 86 ALA H H 7.94 0.02 1 889 . 86 ALA HA H 4.13 0.02 1 890 . 86 ALA HB H 1.41 0.02 1 891 . 86 ALA C C 179.2 0.20 1 892 . 86 ALA CA C 54.2 0.20 1 893 . 86 ALA CB C 19.1 0.20 1 894 . 86 ALA N N 120.4 0.25 1 895 . 87 MET H H 8.10 0.02 1 896 . 87 MET HA H 4.35 0.02 1 897 . 87 MET HB2 H 1.77 0.02 2 898 . 87 MET HB3 H 2.22 0.02 2 899 . 87 MET HG2 H 2.48 0.02 1 900 . 87 MET HG3 H 2.48 0.02 1 901 . 87 MET C C 174.7 0.20 1 902 . 87 MET CA C 55.3 0.20 1 903 . 87 MET CB C 34.2 0.20 1 904 . 87 MET CG C 32.5 0.20 1 905 . 87 MET N N 112.3 0.25 1 906 . 88 ARG H H 7.82 0.02 1 907 . 88 ARG HA H 4.02 0.02 1 908 . 88 ARG HB2 H 1.79 0.02 1 909 . 88 ARG HB3 H 1.79 0.02 1 910 . 88 ARG HG2 H 1.51 0.02 1 911 . 88 ARG HG3 H 1.51 0.02 1 912 . 88 ARG HD2 H 3.14 0.02 1 913 . 88 ARG HD3 H 3.14 0.02 1 914 . 88 ARG C C 175.7 0.20 1 915 . 88 ARG CA C 56.0 0.20 1 916 . 88 ARG CB C 27.0 0.20 1 917 . 88 ARG CD C 43.2 0.20 1 918 . 88 ARG N N 117.6 0.25 1 919 . 89 LEU H H 7.76 0.02 1 920 . 89 LEU HA H 4.43 0.02 1 921 . 89 LEU HB2 H 1.44 0.02 2 922 . 89 LEU HB3 H 1.36 0.02 2 923 . 89 LEU HD1 H 0.86 0.02 1 924 . 89 LEU HD2 H 0.86 0.02 1 925 . 89 LEU C C 176.9 0.20 1 926 . 89 LEU CA C 53.3 0.20 1 927 . 89 LEU CB C 44.2 0.20 1 928 . 89 LEU CD1 C 25.6 0.20 2 929 . 89 LEU CD2 C 22.6 0.20 2 930 . 89 LEU N N 119.1 0.25 1 931 . 90 ARG H H 8.52 0.02 1 932 . 90 ARG HA H 4.03 0.02 1 933 . 90 ARG HG2 H 1.55 0.02 1 934 . 90 ARG HG3 H 1.55 0.02 1 935 . 90 ARG HB2 H 1.74 0.02 1 936 . 90 ARG HB3 H 1.74 0.02 1 937 . 90 ARG HD2 H 3.14 0.02 1 938 . 90 ARG HD3 H 3.14 0.02 1 939 . 90 ARG C C 176.6 0.20 1 940 . 90 ARG CA C 57.9 0.20 1 941 . 90 ARG CB C 30.3 0.20 1 942 . 90 ARG CD C 43.1 0.20 1 943 . 90 ARG N N 122.2 0.25 1 944 . 91 ILE H H 7.57 0.02 1 945 . 91 ILE HA H 4.12 0.02 1 946 . 91 ILE HB H 1.62 0.02 1 947 . 91 ILE HG12 H 1.30 0.02 2 948 . 91 ILE HG13 H 0.98 0.02 2 949 . 91 ILE HG2 H 0.63 0.02 1 950 . 91 ILE HD1 H 0.74 0.02 1 951 . 91 ILE C C 174.5 0.20 1 952 . 91 ILE CA C 59.1 0.20 1 953 . 91 ILE CB C 39.3 0.20 1 954 . 91 ILE CG2 C 16.7 0.20 2 955 . 91 ILE CG1 C 26.7 0.20 2 956 . 91 ILE CD1 C 12.7 0.20 1 957 . 91 ILE N N 117.0 0.25 1 958 . 92 VAL H H 8.71 0.02 1 959 . 92 VAL HA H 4.23 0.02 1 960 . 92 VAL HB H 1.88 0.02 1 961 . 92 VAL HG1 H 0.86 0.02 1 962 . 92 VAL HG2 H 0.86 0.02 1 963 . 92 VAL CA C 59.0 0.20 1 964 . 92 VAL CB C 32.4 0.20 1 965 . 92 VAL CG1 C 21.7 0.20 1 966 . 92 VAL CG2 C 21.7 0.20 1 967 . 92 VAL N N 127.7 0.25 1 968 . 93 PRO HA H 4.09 0.02 1 969 . 93 PRO HB2 H 1.86 0.02 2 970 . 93 PRO HB3 H 1.41 0.02 2 971 . 93 PRO HG2 H 1.80 0.02 2 972 . 93 PRO HG3 H 1.59 0.02 2 973 . 93 PRO HD2 H 3.37 0.02 2 974 . 93 PRO HD3 H 3.86 0.02 2 975 . 93 PRO C C 176.2 0.20 1 976 . 93 PRO CA C 62.6 0.20 1 977 . 93 PRO CB C 31.3 0.20 1 978 . 93 PRO CG C 26.6 0.20 1 979 . 93 PRO CD C 50.6 0.20 1 980 . 94 GLU H H 7.63 0.02 1 981 . 94 GLU HA H 4.02 0.02 1 982 . 94 GLU HG3 H 2.33 0.02 2 983 . 94 GLU HG2 H 2.19 0.02 2 984 . 94 GLU HB2 H 2.05 0.02 1 985 . 94 GLU HB3 H 2.05 0.02 1 986 . 94 GLU C C 176.0 0.20 1 987 . 94 GLU CA C 56.7 0.20 1 988 . 94 GLU CB C 30.0 0.20 1 989 . 94 GLU CG C 35.5 0.20 1 990 . 94 GLU N N 119.3 0.25 1 991 . 95 LEU H H 8.54 0.02 1 992 . 95 LEU HA H 4.97 0.02 1 993 . 95 LEU HB2 H 1.68 0.02 1 994 . 95 LEU HB3 H 1.68 0.02 1 995 . 95 LEU HG H 1.63 0.02 1 996 . 95 LEU HD1 H 0.43 0.02 1 997 . 95 LEU HD2 H 0.43 0.02 1 998 . 95 LEU C C 177.7 0.20 1 999 . 95 LEU CA C 53.6 0.20 1 1000 . 95 LEU CB C 44.2 0.20 1 1001 . 95 LEU CG C 26.6 0.20 1 1002 . 95 LEU CD1 C 23.3 0.20 1 1003 . 95 LEU CD2 C 23.3 0.20 1 1004 . 95 LEU N N 122.5 0.25 1 1005 . 96 THR H H 8.06 0.02 1 1006 . 96 THR HA H 4.68 0.02 1 1007 . 96 THR HB H 3.83 0.02 1 1008 . 96 THR HG2 H 0.91 0.02 1 1009 . 96 THR C C 172.6 0.20 1 1010 . 96 THR CA C 61.2 0.20 1 1011 . 96 THR CB C 70.6 0.20 1 1012 . 96 THR CG2 C 22.5 0.20 1 1013 . 96 THR N N 117.3 0.25 1 1014 . 97 PHE H H 8.46 0.02 1 1015 . 97 PHE HA H 5.15 0.02 1 1016 . 97 PHE HB2 H 2.69 0.02 1 1017 . 97 PHE HB3 H 2.69 0.02 1 1018 . 97 PHE HD1 H 6.84 0.02 1 1019 . 97 PHE HD2 H 6.84 0.02 1 1020 . 97 PHE HE1 H 7.09 0.02 1 1021 . 97 PHE HE2 H 7.09 0.02 1 1022 . 97 PHE C C 174.4 0.20 1 1023 . 97 PHE CA C 57.7 0.20 1 1024 . 97 PHE CB C 41.2 0.20 1 1025 . 97 PHE CD1 C 131.8 0.20 1 1026 . 97 PHE CD2 C 131.8 0.20 1 1027 . 97 PHE CE1 C 133.5 0.20 1 1028 . 97 PHE CE2 C 133.5 0.20 1 1029 . 97 PHE N N 123.4 0.25 1 1030 . 98 PHE H H 9.09 0.02 1 1031 . 98 PHE HA H 4.60 0.02 1 1032 . 98 PHE HB2 H 2.94 0.02 2 1033 . 98 PHE HB3 H 2.14 0.02 2 1034 . 98 PHE HD1 H 6.91 0.02 1 1035 . 98 PHE HD2 H 6.91 0.02 1 1036 . 98 PHE HE1 H 7.16 0.02 1 1037 . 98 PHE HE2 H 7.16 0.02 1 1038 . 98 PHE CD2 C 131.6 0.20 1 1039 . 98 PHE CD1 C 131.6 0.20 1 1040 . 98 PHE CE1 C 131.6 0.20 1 1041 . 98 PHE CE2 C 131.6 0.20 1 1042 . 98 PHE C C 174.3 0.20 1 1043 . 98 PHE CA C 56.3 0.20 1 1044 . 98 PHE CB C 43.9 0.20 1 1045 . 98 PHE N N 118.8 0.25 1 1046 . 99 TYR H H 9.05 0.02 1 1047 . 99 TYR HA H 4.83 0.02 1 1048 . 99 TYR HB2 H 2.92 0.02 1 1049 . 99 TYR HB3 H 2.92 0.02 1 1050 . 99 TYR C C 175.5 0.20 1 1051 . 99 TYR CA C 57.5 0.20 1 1052 . 99 TYR CB C 38.9 0.20 1 1053 . 99 TYR N N 122.1 0.25 1 1054 . 99 TYR CD1 C 133.0 0.20 1 1055 . 99 TYR CD2 C 133.0 0.20 1 1056 . 99 TYR CE1 C 117.9 0.20 1 1057 . 99 TYR CE2 C 117.9 0.20 1 1058 . 99 TYR HD1 H 7.00 0.02 1 1059 . 99 TYR HD2 H 7.00 0.02 1 1060 . 99 TYR HE1 H 6.75 0.02 1 1061 . 99 TYR HE2 H 6.75 0.02 1 1062 . 100 ASP H H 8.55 0.02 1 1063 . 100 ASP HA H 4.51 0.02 1 1064 . 100 ASP HB2 H 2.63 0.02 2 1065 . 100 ASP HB3 H 2.25 0.02 2 1066 . 100 ASP CA C 53.0 0.20 1 1067 . 100 ASP CB C 40.4 0.20 1 1068 . 100 ASP N N 127.4 0.25 1 1069 . 101 ASN H H 8.03 0.02 1 1070 . 101 ASN HA H 4.59 0.02 1 1071 . 101 ASN HB2 H 2.74 0.02 2 1072 . 101 ASN HB3 H 2.85 0.02 2 1073 . 101 ASN HD21 H 7.63 0.02 2 1074 . 101 ASN HD22 H 6.93 0.02 2 1075 . 101 ASN C C 176.0 0.20 1 1076 . 101 ASN CA C 52.5 0.20 1 1077 . 101 ASN CB C 38.4 0.20 1 1078 . 101 ASN N N 122.1 0.25 1 1079 . 101 ASN ND2 N 111.3 0.25 1 1080 . 102 SER H H 8.29 0.02 1 1081 . 102 SER HA H 4.15 0.02 1 1082 . 102 SER HB2 H 3.78 0.02 1 1083 . 102 SER HB3 H 3.78 0.02 1 1084 . 102 SER C C 174.9 0.20 1 1085 . 102 SER CA C 59.8 0.20 1 1086 . 102 SER CB C 63.2 0.20 1 1087 . 102 SER N N 115.4 0.25 1 1088 . 103 LEU H H 8.00 0.02 1 1089 . 103 LEU HA H 4.26 0.02 1 1090 . 103 LEU HB2 H 1.57 0.02 2 1091 . 103 LEU HB3 H 1.53 0.02 2 1092 . 103 LEU HD1 H 0.79 0.02 1 1093 . 103 LEU HD2 H 0.79 0.02 1 1094 . 103 LEU C C 177.7 0.20 1 1095 . 103 LEU CA C 55.2 0.20 1 1096 . 103 LEU CB C 41.7 0.20 1 1097 . 103 LEU CG C 27.0 0.20 1 1098 . 103 LEU CD1 C 23.5 0.20 1 1099 . 103 LEU CD2 C 23.5 0.20 1 1100 . 103 LEU N N 122.3 0.25 1 1101 . 104 VAL H H 7.84 0.02 1 1102 . 104 VAL HA H 4.00 0.02 1 1103 . 104 VAL HB H 2.02 0.02 1 1104 . 104 VAL HG1 H 0.88 0.02 1 1105 . 104 VAL HG2 H 0.88 0.02 1 1106 . 104 VAL C C 176.5 0.20 1 1107 . 104 VAL CA C 62.3 0.20 1 1108 . 104 VAL CB C 32.5 0.20 1 1109 . 104 VAL CG1 C 20.8 0.20 1 1110 . 104 VAL CG2 C 20.8 0.20 1 1111 . 104 VAL N N 119.5 0.25 1 1112 . 105 GLU H H 8.35 0.02 1 1113 . 105 GLU HA H 4.19 0.02 1 1114 . 105 GLU HG2 H 2.28 0.02 1 1115 . 105 GLU HG3 H 2.28 0.02 1 1116 . 105 GLU HB2 H 1.94 0.02 1 1117 . 105 GLU HB3 H 1.94 0.02 1 1118 . 105 GLU C C 176.9 0.20 1 1119 . 105 GLU CA C 56.4 0.20 1 1120 . 105 GLU CB C 29.7 0.20 1 1121 . 105 GLU CG C 34.9 0.20 1 1122 . 105 GLU N N 123.2 0.25 1 1123 . 106 GLY H H 8.32 0.02 1 1124 . 106 GLY HA2 H 3.91 0.02 1 1125 . 106 GLY HA3 H 3.91 0.02 1 1126 . 106 GLY C C 173.9 0.20 1 1127 . 106 GLY CA C 45.03 0.20 1 1128 . 106 GLY N N 109.0 0.25 1 1129 . 107 MET H H 8.05 0.02 1 1130 . 107 MET HA H 4.43 0.02 1 1131 . 107 MET HB2 H 2.47 0.02 2 1132 . 107 MET HB3 H 2.54 0.02 2 1133 . 107 MET C C 175.4 0.20 1 1134 . 107 MET CA C 55.4 0.20 1 1135 . 107 MET CB C 32.7 0.20 1 1136 . 107 MET N N 119.2 0.25 1 1137 . 108 ARG H H 7.91 0.02 1 1138 . 108 ARG HA H 4.13 0.02 1 1139 . 108 ARG HB2 H 1.65 0.02 2 1140 . 108 ARG HB3 H 1.78 0.02 2 1141 . 108 ARG HG2 H 1.52 0.02 1 1142 . 108 ARG HG3 H 1.52 0.02 1 1143 . 108 ARG HD2 H 3.07 0.02 1 1144 . 108 ARG HD3 H 3.07 0.02 1 1145 . 108 ARG CA C 57.2 0.20 1 1146 . 108 ARG CB C 31.3 0.20 1 1147 . 108 ARG CG C 26.8 0.20 1 1148 . 108 ARG CD C 43.1 0.20 1 1149 . 108 ARG N N 126.5 0.25 1 stop_ save_