data_4417 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments of the Birch Pollen Allergen Bet v 1 ; _BMRB_accession_number 4417 _BMRB_flat_file_name bmr4417.str _Entry_type original _Submission_date 1999-09-21 _Accession_date 1999-09-21 _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 Schweimer Kristian . . 2 Sticht Heinrich . . 3 Boehm Markus . . 4 Roesch Paul . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 766 "13C chemical shifts" 565 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-01-11 original author . stop_ _Original_release_date 2000-01-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Spectroscopy Reveals Common Structural Features of the Birch Pollen Allergen Bet v 1 and the Cherry Allergen Pru a 1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schweimer K. . . 2 Sticht H. . . 3 Nerkamp J. . . 4 Boehm M. . . 5 Breitenbach M. . . 6 Vieths S. . . 7 Roesch P. . . stop_ _Journal_abbreviation 'Appl. Magn. Reson.' _Journal_name_full 'Applied Magnetic Resonance' _Journal_volume 17 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 449 _Page_last 646 _Year 1999 _Details . loop_ _Keyword 'major birch pollen allergen' 'NMR Structure' 'pathogenesis-related protein' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation_title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8589602 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wishart 'D. S.' S. . 2 Bigam 'C. G.' G. . 3 Yao J. . . 4 Abildgaard F. . . 5 Dyson 'H. J.' J. . 6 Oldfield E. . . 7 Markley 'J. L.' L. . 8 Sykes 'B. D.' D. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 2 _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 135 _Page_last 140 _Year 1995 _Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; save_ ################################## # Molecular system description # ################################## save_system_Bet_v_1-L _Saveframe_category molecular_system _Mol_system_name 'Major Pollen Allergen Bet v 1-L' _Abbreviation_common 'Bet v 1-L' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Bet v 1-L' $Bet_v_1-L stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Bet_v_1-L _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Major Pollen Allergen Bet v 1-L' _Name_variant M139L _Abbreviation_common 'Bet v 1-L' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; GVFNYETETTSVIPAARLFK AFILDGDNLFPKVAPQAISS VENIEGNGGPGTIKKISFPE GFPFKYVKDRVDEVDHTNFK YNYSVIEGGPIGDTLEKISN EIKIVATPDGGSILKISNKY HTKGDHEVKAEQVKASKELG ETLLRAVESYLLAHSDAYN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 VAL 3 PHE 4 ASN 5 TYR 6 GLU 7 THR 8 GLU 9 THR 10 THR 11 SER 12 VAL 13 ILE 14 PRO 15 ALA 16 ALA 17 ARG 18 LEU 19 PHE 20 LYS 21 ALA 22 PHE 23 ILE 24 LEU 25 ASP 26 GLY 27 ASP 28 ASN 29 LEU 30 PHE 31 PRO 32 LYS 33 VAL 34 ALA 35 PRO 36 GLN 37 ALA 38 ILE 39 SER 40 SER 41 VAL 42 GLU 43 ASN 44 ILE 45 GLU 46 GLY 47 ASN 48 GLY 49 GLY 50 PRO 51 GLY 52 THR 53 ILE 54 LYS 55 LYS 56 ILE 57 SER 58 PHE 59 PRO 60 GLU 61 GLY 62 PHE 63 PRO 64 PHE 65 LYS 66 TYR 67 VAL 68 LYS 69 ASP 70 ARG 71 VAL 72 ASP 73 GLU 74 VAL 75 ASP 76 HIS 77 THR 78 ASN 79 PHE 80 LYS 81 TYR 82 ASN 83 TYR 84 SER 85 VAL 86 ILE 87 GLU 88 GLY 89 GLY 90 PRO 91 ILE 92 GLY 93 ASP 94 THR 95 LEU 96 GLU 97 LYS 98 ILE 99 SER 100 ASN 101 GLU 102 ILE 103 LYS 104 ILE 105 VAL 106 ALA 107 THR 108 PRO 109 ASP 110 GLY 111 GLY 112 SER 113 ILE 114 LEU 115 LYS 116 ILE 117 SER 118 ASN 119 LYS 120 TYR 121 HIS 122 THR 123 LYS 124 GLY 125 ASP 126 HIS 127 GLU 128 VAL 129 LYS 130 ALA 131 GLU 132 GLN 133 VAL 134 LYS 135 ALA 136 SER 137 LYS 138 GLU 139 LEU 140 GLY 141 GLU 142 THR 143 LEU 144 LEU 145 ARG 146 ALA 147 VAL 148 GLU 149 SER 150 TYR 151 LEU 152 LEU 153 ALA 154 HIS 155 SER 156 ASP 157 ALA 158 TYR 159 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-06 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1B6F "Birch Pollen Allergen Bet V 1" 100.00 159 100.00 100.00 3.98e-109 PDB 1BTV "Structure Of Bet V 1, Nmr, 20 Structures" 100.00 159 98.74 99.37 2.39e-108 PDB 1BV1 "Birch Pollen Allergen Bet V 1" 100.00 159 98.74 99.37 2.39e-108 PDB 1FSK "Complex Formation Between A Fab Fragment Of A Monoclonal Igg Antibody And The Major Allergen From Birch Pollen Bet V 1" 100.00 159 98.74 99.37 2.39e-108 PDB 1LLT "Birch Pollen Allergen Bet V 1 Mutant E45s" 100.00 159 98.11 98.74 1.40e-107 PDB 4A80 "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Complex With 8-Anilinonaphthalene-1-Sulfonate (Ans)" 100.00 159 99.37 100.00 5.71e-109 PDB 4A81 "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Ternary Complex With 8-Anilinonaphthalene-1-Sulfonate ( Ans) And " 100.00 159 99.37 100.00 5.71e-109 PDB 4A83 "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Complex With Deoxycholate." 100.00 159 99.37 100.00 5.71e-109 PDB 4A84 "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A F30v Mutant In Complex With Deoxycholate" 100.00 159 98.74 99.37 4.97e-108 PDB 4A85 "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Complex With Kinetin." 100.00 159 99.37 100.00 5.71e-109 PDB 4A86 "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Ternary Complex With Kinetin And 8-Anilinonaphthalene-1- Sulfonat" 100.00 159 99.37 100.00 5.71e-109 PDB 4A87 "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Complex With Naringenin." 100.00 159 99.37 100.00 5.71e-109 PDB 4A88 "Crystal Structure Of Native Major Birch Pollen Allergen Bet V 1 Isoform A" 100.00 159 99.37 100.00 5.71e-109 PDB 4A8G "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Complex With Dimethylbenzylammonium Propane Sulfonate" 100.00 159 99.37 100.00 5.71e-109 PDB 4BK6 "Crystal Structure Of A Dimeric Variant Of Bet V 1" 100.00 159 98.74 99.37 4.76e-108 PDB 4BK7 "Crystal Structure Of A Variant Of The Major Birch Pollen Allergen Bet V 1" 100.00 159 98.74 100.00 1.92e-108 PDB 4BKC "Crystal Structure Of A Unusually Linked Dimeric Variant Of Bet V 1" 100.63 160 98.13 98.75 3.27e-106 PDB 4BKD "Crystal Structure Of An Unusually Linked Dimeric Variant Of Bet V 1 (b)" 100.00 159 98.74 99.37 1.00e-107 PDB 4MNS "Crystal Structure Of The Major Pollen Allergen Bet V 1-a In Complex With P303" 100.00 159 99.37 100.00 5.71e-109 PDB 4QIP "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 Isoform A In Complex With Sodium Dodecyl Sulfate" 100.00 159 99.37 100.00 5.71e-109 EMBL CAA04825 "pollen allergen, Betv1 [Betula pendula]" 100.00 159 99.37 100.00 5.71e-109 EMBL CAA05187 "pollen allergen Betv1 [Betula pendula]" 100.00 160 98.74 100.00 6.67e-109 EMBL CAA05188 "pollen allergen Betv1 [Betula pendula]" 100.00 160 98.74 99.37 3.67e-108 EMBL CAA05189 "pollen allergen Betv1 [Betula pendula]" 100.00 160 98.74 100.00 6.67e-109 EMBL CAA07319 "pollen allergen Betv1, isoform at10 [Betula pendula]" 100.00 160 97.48 98.74 1.05e-106 GB AAD26561 "isoallergen Bet v 1 b2 [Betula pendula]" 100.00 160 98.11 98.74 6.01e-107 GB ABC41579 "major allergen Bet v 1.01A, partial [Betula pendula]" 94.34 150 99.33 100.00 1.14e-101 GB ABC41580 "major allergen Bet v 1.01A, partial [Betula pendula]" 94.34 150 98.67 100.00 2.01e-101 GB ABC41581 "major allergen Bet v 1.01A, partial [Betula pendula]" 94.34 150 98.00 100.00 9.99e-101 GB ABC41611 "major allergen Bet v 1.01A, partial [Betula pendula]" 94.34 150 98.67 100.00 2.01e-101 SP P15494 "RecName: Full=Major pollen allergen Bet v 1-A; AltName: Full=Allergen Bet v I-A; AltName: Allergen=Bet v 1-A" 100.00 160 99.37 100.00 3.69e-109 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Cell_type $Bet_v_1-L 'White Birch' 3505 Eukaryota Metazoa Betula verrucosa Pollen 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 $Bet_v_1-L 'recombinant technology' 'Escherichia coli' Escherichia coli BL21/DE3 . 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 $Bet_v_1-L . mM 0.7 1.1 '[U-95% 13C; U-95% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Bet_v_1-L 1.0 mM '[U-98% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Bet_v_1-L 0.8 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D-HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _Sample_label . save_ save_3D-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCA _Sample_label . save_ save_3D-CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-CBCA(CO)NH _Sample_label . save_ save_3D-HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCACB _Sample_label . save_ save_3D-HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-COSY _Sample_label . save_ save_3D-HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-TOCSY _Sample_label . save_ save_3D-13C-NOESYHSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-13C-NOESYHSQC _Sample_label . save_ save_3D-15N-NOESYHSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-15N-NOESYHSQC _Sample_label . save_ save_3D-15N-TOCSYHSQC,_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-15N-TOCSYHSQC, _Sample_label . save_ save_3D-HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNHA _Sample_label . save_ save_2D-NOESY(D2O)_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NOESY(D2O) _Sample_label . save_ save_2D-TOCSY(D2O)_12 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-TOCSY(D2O) _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-13C-NOESYHSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-15N-NOESYHSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-15N-TOCSYHSQC, _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NOESY(D2O) _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-TOCSY(D2O) _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 7.0 0.1 n/a pressure 1 . atm temperature 298 0.1 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 _Indirect_shift_ratio_citation_label DSS C 13 protons ppm 0.00 . indirect . . . 0.251449530 $citation_one DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical external_to_the_sample parallel_to_Bo 1.0 $citation_one DSS N 15 protons ppm 0.00 . indirect . . . 0.101329118 $citation_one 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_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Bet v 1-L' _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 VAL H H 8.07 0.02 1 2 . 2 VAL HA H 4.98 0.02 1 3 . 2 VAL HB H 1.66 0.02 1 4 . 2 VAL HG1 H 0.63 0.02 2 5 . 2 VAL HG2 H 0.45 0.02 2 6 . 2 VAL C C 174.7 0.2 1 7 . 2 VAL CA C 61.4 0.2 1 8 . 2 VAL CB C 33.8 0.2 1 9 . 2 VAL CG1 C 21.0 0.2 2 10 . 2 VAL CG2 C 20.8 0.2 2 11 . 2 VAL N N 120.9 0.1 1 12 . 3 PHE H H 8.72 0.02 1 13 . 3 PHE HA H 4.67 0.02 1 14 . 3 PHE HB2 H 3.13 0.02 2 15 . 3 PHE HB3 H 2.90 0.02 2 16 . 3 PHE C C 173.8 0.2 1 17 . 3 PHE CA C 56.8 0.2 1 18 . 3 PHE CB C 42.5 0.2 1 19 . 3 PHE N N 127.0 0.1 1 20 . 4 ASN H H 8.69 0.02 1 21 . 4 ASN HA H 5.41 0.02 1 22 . 4 ASN HB2 H 2.70 0.02 2 23 . 4 ASN HB3 H 2.47 0.02 2 24 . 4 ASN HD21 H 7.35 0.02 2 25 . 4 ASN HD22 H 6.72 0.02 2 26 . 4 ASN C C 173.9 0.2 1 27 . 4 ASN CA C 52.6 0.2 1 28 . 4 ASN CB C 41.6 0.2 1 29 . 4 ASN N N 124.0 0.1 1 30 . 4 ASN ND2 N 112.3 0.1 1 31 . 5 TYR H H 9.01 0.02 1 32 . 5 TYR HA H 4.72 0.02 1 33 . 5 TYR HB2 H 3.17 0.02 2 34 . 5 TYR HB3 H 3.08 0.02 2 35 . 5 TYR HD1 H 7.25 0.02 1 36 . 5 TYR HD2 H 7.25 0.02 1 37 . 5 TYR HE1 H 6.63 0.02 1 38 . 5 TYR HE2 H 6.63 0.02 1 39 . 5 TYR C C 174.7 0.2 1 40 . 5 TYR CA C 57.9 0.2 1 41 . 5 TYR CB C 41.1 0.2 1 42 . 5 TYR N N 125.2 0.1 1 43 . 6 GLU H H 8.65 0.02 1 44 . 6 GLU HA H 5.48 0.02 1 45 . 6 GLU HB2 H 1.92 0.02 1 46 . 6 GLU HB3 H 1.92 0.02 1 47 . 6 GLU HG2 H 2.17 0.02 1 48 . 6 GLU HG3 H 2.17 0.02 1 49 . 6 GLU C C 175.5 0.2 1 50 . 6 GLU CA C 55.2 0.2 1 51 . 6 GLU CB C 33.1 0.2 1 52 . 6 GLU CG C 33.0 0.2 1 53 . 6 GLU N N 124.5 0.1 1 54 . 7 THR H H 9.09 0.02 1 55 . 7 THR HA H 4.66 0.02 1 56 . 7 THR HB H 4.09 0.02 1 57 . 7 THR HG2 H 1.18 0.02 1 58 . 7 THR C C 172.6 0.2 1 59 . 7 THR CA C 61.0 0.2 1 60 . 7 THR CB C 71.9 0.2 1 61 . 7 THR CG2 C 21.3 0.2 1 62 . 7 THR N N 117.5 0.1 1 63 . 8 GLU H H 8.46 0.02 1 64 . 8 GLU HA H 5.51 0.02 1 65 . 8 GLU HB2 H 1.93 0.02 1 66 . 8 GLU HB3 H 1.93 0.02 1 67 . 8 GLU HG2 H 2.08 0.02 1 68 . 8 GLU HG3 H 2.08 0.02 1 69 . 8 GLU C C 175.5 0.2 1 70 . 8 GLU CA C 55.0 0.2 1 71 . 8 GLU CB C 33.3 0.2 1 72 . 8 GLU CG C 33.2 0.2 1 73 . 9 THR H H 8.62 0.02 1 74 . 9 THR HA H 4.73 0.02 1 75 . 9 THR HB H 3.92 0.02 1 76 . 9 THR HG2 H 1.15 0.02 1 77 . 9 THR C C 172.6 0.2 1 78 . 9 THR CA C 61.6 0.2 1 79 . 9 THR CB C 70.5 0.2 1 80 . 9 THR CG2 C 21.7 0.2 1 81 . 9 THR N N 120.0 0.1 1 82 . 10 THR H H 8.48 0.02 1 83 . 10 THR HA H 4.92 0.02 1 84 . 10 THR HB H 4.27 0.02 1 85 . 10 THR HG2 H 1.21 0.02 1 86 . 10 THR C C 173.6 0.2 1 87 . 10 THR CA C 61.2 0.2 1 88 . 10 THR CB C 71.1 0.2 1 89 . 10 THR CG2 C 21.8 0.2 1 90 . 10 THR N N 117.3 0.1 1 91 . 11 SER H H 8.87 0.02 1 92 . 11 SER HA H 4.99 0.02 1 93 . 11 SER HB2 H 3.46 0.02 2 94 . 11 SER HB3 H 3.36 0.02 2 95 . 11 SER C C 174.8 0.2 1 96 . 11 SER CA C 56.0 0.2 1 97 . 11 SER CB C 65.5 0.2 1 98 . 11 SER N N 115.3 0.1 1 99 . 12 VAL H H 7.72 0.02 1 100 . 12 VAL HA H 4.37 0.02 1 101 . 12 VAL HB H 2.40 0.02 1 102 . 12 VAL HG1 H 0.99 0.02 2 103 . 12 VAL HG2 H 0.87 0.02 2 104 . 12 VAL C C 176.0 0.2 1 105 . 12 VAL CA C 61.8 0.2 1 106 . 12 VAL CB C 31.8 0.2 1 107 . 12 VAL CG1 C 21.3 0.2 2 108 . 12 VAL CG2 C 18.3 0.2 2 109 . 12 VAL N N 119.9 0.1 1 110 . 13 ILE H H 8.51 0.02 1 111 . 13 ILE HA H 4.41 0.02 1 112 . 13 ILE HB H 2.12 0.02 1 113 . 13 ILE HG12 H 1.79 0.02 2 114 . 13 ILE HG13 H 1.16 0.02 2 115 . 13 ILE HG2 H 1.08 0.02 1 116 . 13 ILE HD1 H 0.76 0.02 1 117 . 13 ILE CA C 55.2 0.2 1 118 . 13 ILE CB C 36.3 0.2 1 119 . 13 ILE CG1 C 27.0 0.2 1 120 . 13 ILE CG2 C 16.8 0.2 1 121 . 13 ILE CD1 C 8.2 0.2 1 122 . 13 ILE N N 125.5 0.1 1 123 . 14 PRO HA H 4.42 0.02 1 124 . 14 PRO HB2 H 2.50 0.02 2 125 . 14 PRO HB3 H 1.93 0.02 2 126 . 14 PRO HG2 H 2.22 0.02 2 127 . 14 PRO HG3 H 2.09 0.02 2 128 . 14 PRO HD2 H 4.02 0.02 2 129 . 14 PRO HD3 H 3.75 0.02 2 130 . 14 PRO C C 177.3 0.2 1 131 . 14 PRO CA C 63.1 0.2 1 132 . 14 PRO CB C 32.7 0.2 1 133 . 14 PRO CG C 27.8 0.2 1 134 . 14 PRO CD C 51.7 0.2 1 135 . 15 ALA H H 8.18 0.02 1 136 . 15 ALA HA H 3.73 0.02 1 137 . 15 ALA HB H 1.15 0.02 1 138 . 15 ALA C C 178.1 0.2 1 139 . 15 ALA CA C 55.8 0.2 1 140 . 15 ALA CB C 19.1 0.2 1 141 . 15 ALA N N 126.0 0.1 1 142 . 16 ALA H H 8.53 0.02 1 143 . 16 ALA HA H 3.41 0.02 1 144 . 16 ALA HB H 1.48 0.02 1 145 . 16 ALA C C 179.9 0.2 1 146 . 16 ALA CA C 55.2 0.2 1 147 . 16 ALA CB C 18.3 0.2 1 148 . 16 ALA N N 117.6 0.1 1 149 . 17 ARG H H 6.78 0.02 1 150 . 17 ARG HA H 4.13 0.02 1 151 . 17 ARG HB2 H 1.88 0.02 2 152 . 17 ARG HB3 H 1.67 0.02 2 153 . 17 ARG HG2 H 1.44 0.02 1 154 . 17 ARG HG3 H 1.44 0.02 1 155 . 17 ARG C C 177.3 0.2 1 156 . 17 ARG CA C 59.0 0.2 1 157 . 17 ARG CB C 30.7 0.2 1 158 . 17 ARG CG C 24.1 0.2 1 159 . 17 ARG N N 118.3 0.1 1 160 . 18 LEU H H 8.26 0.02 1 161 . 18 LEU HA H 3.78 0.02 1 162 . 18 LEU HB2 H 1.68 0.02 2 163 . 18 LEU HB3 H 1.15 0.02 2 164 . 18 LEU HG H 1.38 0.02 1 165 . 18 LEU HD1 H 0.65 0.02 2 166 . 18 LEU HD2 H 0.73 0.02 2 167 . 18 LEU C C 178.9 0.2 1 168 . 18 LEU CA C 57.5 0.2 1 169 . 18 LEU CB C 41.3 0.2 1 170 . 18 LEU CG C 26.7 0.2 1 171 . 18 LEU CD1 C 22.2 0.2 2 172 . 18 LEU CD2 C 25.8 0.2 2 173 . 18 LEU N N 119.4 0.1 1 174 . 19 PHE H H 8.84 0.02 1 175 . 19 PHE HA H 3.77 0.02 1 176 . 19 PHE HB2 H 2.72 0.02 2 177 . 19 PHE HB3 H 2.67 0.02 2 178 . 19 PHE C C 177.4 0.2 1 179 . 19 PHE CA C 62.4 0.2 1 180 . 19 PHE CB C 39.5 0.2 1 181 . 19 PHE N N 119.4 0.1 1 182 . 20 LYS H H 7.57 0.02 1 183 . 20 LYS HA H 3.61 0.02 1 184 . 20 LYS HB2 H 2.09 0.02 2 185 . 20 LYS HB3 H 1.96 0.02 2 186 . 20 LYS HG2 H 1.56 0.02 1 187 . 20 LYS HG3 H 1.56 0.02 1 188 . 20 LYS HD2 H 1.67 0.02 1 189 . 20 LYS HD3 H 1.67 0.02 1 190 . 20 LYS HE2 H 2.98 0.02 1 191 . 20 LYS HE3 H 2.98 0.02 1 192 . 20 LYS C C 176.6 0.2 1 193 . 20 LYS CA C 60.1 0.2 1 194 . 20 LYS CB C 33.3 0.2 1 195 . 20 LYS CG C 26.3 0.2 1 196 . 20 LYS CD C 29.1 0.2 1 197 . 20 LYS CE C 42.1 0.2 1 198 . 20 LYS N N 118.6 0.1 1 199 . 21 ALA H H 7.31 0.02 1 200 . 21 ALA HA H 3.13 0.02 1 201 . 21 ALA HB H 0.64 0.02 1 202 . 21 ALA C C 175.0 0.2 1 203 . 21 ALA CA C 54.2 0.2 1 204 . 21 ALA CB C 21.5 0.2 1 205 . 21 ALA N N 119.5 0.1 1 206 . 22 PHE H H 8.49 0.02 1 207 . 22 PHE HA H 3.76 0.02 1 208 . 22 PHE HB2 H 2.87 0.02 1 209 . 22 PHE HB3 H 2.87 0.02 1 210 . 22 PHE HD1 H 6.59 0.02 1 211 . 22 PHE HD2 H 6.59 0.02 1 212 . 22 PHE HE1 H 7.22 0.02 1 213 . 22 PHE HE2 H 7.22 0.02 1 214 . 22 PHE C C 174.3 0.2 1 215 . 22 PHE CA C 59.9 0.2 1 216 . 22 PHE CB C 41.5 0.2 1 217 . 22 PHE N N 112.9 0.1 1 218 . 23 ILE H H 6.70 0.02 1 219 . 23 ILE HA H 3.63 0.02 1 220 . 23 ILE HB H 1.40 0.02 1 221 . 23 ILE HG12 H 1.30 0.02 1 222 . 23 ILE HG13 H 1.30 0.02 1 223 . 23 ILE HG2 H -0.20 0.02 1 224 . 23 ILE HD1 H 0.63 0.02 1 225 . 23 ILE C C 178.1 0.2 1 226 . 23 ILE CA C 59.6 0.2 1 227 . 23 ILE CB C 34.3 0.2 1 228 . 23 ILE CG1 C 26.9 0.2 1 229 . 23 ILE CG2 C 16.2 0.2 1 230 . 23 ILE CD1 C 10.5 0.2 1 231 . 23 ILE N N 110.8 0.1 1 232 . 24 LEU H H 7.44 0.02 1 233 . 24 LEU HA H 3.71 0.02 1 234 . 24 LEU HB2 H 2.12 0.02 2 235 . 24 LEU HB3 H 1.37 0.02 2 236 . 24 LEU HG H 0.99 0.02 1 237 . 24 LEU HD1 H 0.82 0.02 2 238 . 24 LEU HD2 H 0.52 0.02 2 239 . 24 LEU C C 178.6 0.2 1 240 . 24 LEU CA C 57.4 0.2 1 241 . 24 LEU CB C 39.6 0.2 1 242 . 24 LEU CG C 25.8 0.2 1 243 . 24 LEU CD1 C 25.7 0.2 2 244 . 24 LEU CD2 C 21.6 0.2 2 245 . 24 LEU N N 116.5 0.1 1 246 . 25 ASP H H 6.99 0.02 1 247 . 25 ASP HA H 5.40 0.02 1 248 . 25 ASP HB2 H 2.72 0.02 2 249 . 25 ASP HB3 H 2.43 0.02 2 250 . 25 ASP C C 177.6 0.2 1 251 . 25 ASP CA C 52.6 0.2 1 252 . 25 ASP CB C 43.5 0.2 1 253 . 25 ASP N N 117.2 0.1 1 254 . 26 GLY H H 6.16 0.02 1 255 . 26 GLY HA2 H 2.33 0.02 2 256 . 26 GLY HA3 H 2.17 0.02 2 257 . 26 GLY C C 173.9 0.2 1 258 . 26 GLY CA C 47.3 0.2 1 259 . 26 GLY N N 108.4 0.1 1 260 . 27 ASP H H 7.89 0.02 1 261 . 27 ASP HA H 3.70 0.02 1 262 . 27 ASP HB2 H 2.29 0.02 1 263 . 27 ASP HB3 H 2.29 0.02 1 264 . 27 ASP C C 176.7 0.2 1 265 . 27 ASP CA C 57.0 0.2 1 266 . 27 ASP CB C 39.8 0.2 1 267 . 27 ASP N N 118.3 0.1 1 268 . 28 ASN H H 6.79 0.02 1 269 . 28 ASN HA H 4.45 0.02 1 270 . 28 ASN HB2 H 2.56 0.02 1 271 . 28 ASN HB3 H 2.56 0.02 1 272 . 28 ASN HD21 H 8.16 0.02 2 273 . 28 ASN HD22 H 6.88 0.02 2 274 . 28 ASN C C 176.7 0.2 1 275 . 28 ASN CA C 54.0 0.2 1 276 . 28 ASN CB C 40.0 0.2 1 277 . 28 ASN N N 112.5 0.1 1 278 . 28 ASN ND2 N 116.5 0.1 1 279 . 29 LEU H H 8.01 0.02 1 280 . 29 LEU HA H 3.96 0.02 1 281 . 29 LEU HB2 H 1.29 0.02 2 282 . 29 LEU HB3 H 1.03 0.02 2 283 . 29 LEU HG H 1.39 0.02 1 284 . 29 LEU HD1 H 0.44 0.02 1 285 . 29 LEU HD2 H 0.44 0.02 1 286 . 29 LEU C C 179.3 0.2 1 287 . 29 LEU CA C 57.0 0.2 1 288 . 29 LEU CB C 43.5 0.2 1 289 . 29 LEU CG C 26.6 0.2 1 290 . 29 LEU CD1 C 24.1 0.2 1 291 . 29 LEU CD2 C 24.1 0.2 1 292 . 29 LEU N N 119.6 0.1 1 293 . 30 PHE H H 9.09 0.02 1 294 . 30 PHE HA H 4.50 0.02 1 295 . 30 PHE HB2 H 2.88 0.02 1 296 . 30 PHE HB3 H 2.88 0.02 1 297 . 30 PHE CA C 60.0 0.2 1 298 . 30 PHE CB C 35.3 0.2 1 299 . 30 PHE N N 118.8 0.1 1 300 . 31 PRO HA H 4.42 0.02 1 301 . 31 PRO HB2 H 2.08 0.02 2 302 . 31 PRO HB3 H 1.72 0.02 2 303 . 31 PRO C C 177.3 0.2 1 304 . 31 PRO CA C 64.6 0.2 1 305 . 31 PRO CB C 31.0 0.2 1 306 . 32 LYS H H 6.83 0.02 1 307 . 32 LYS HA H 4.20 0.02 1 308 . 32 LYS HB2 H 1.83 0.02 1 309 . 32 LYS HB3 H 1.83 0.02 1 310 . 32 LYS HG2 H 1.27 0.02 1 311 . 32 LYS HG3 H 1.27 0.02 1 312 . 32 LYS HD2 H 1.25 0.02 1 313 . 32 LYS HD3 H 1.25 0.02 1 314 . 32 LYS HE2 H 2.80 0.02 1 315 . 32 LYS HE3 H 2.80 0.02 1 316 . 32 LYS C C 178.7 0.2 1 317 . 32 LYS CA C 58.1 0.2 1 318 . 32 LYS CB C 33.6 0.2 1 319 . 32 LYS CG C 25.0 0.2 1 320 . 32 LYS CD C 29.4 0.2 1 321 . 32 LYS CE C 41.9 0.2 1 322 . 32 LYS N N 113.7 0.1 1 323 . 33 VAL H H 8.15 0.02 1 324 . 33 VAL HA H 4.48 0.02 1 325 . 33 VAL HB H 2.38 0.02 1 326 . 33 VAL HG1 H 0.83 0.02 2 327 . 33 VAL HG2 H 0.68 0.02 2 328 . 33 VAL C C 176.7 0.2 1 329 . 33 VAL CA C 61.1 0.2 1 330 . 33 VAL CB C 32.2 0.2 1 331 . 33 VAL CG1 C 19.1 0.2 2 332 . 33 VAL CG2 C 22.4 0.2 2 333 . 33 VAL N N 110.1 0.1 1 334 . 34 ALA H H 8.29 0.02 1 335 . 34 ALA HA H 5.11 0.02 1 336 . 34 ALA HB H 1.10 0.02 1 337 . 34 ALA CA C 50.3 0.2 1 338 . 34 ALA CB C 18.7 0.2 1 339 . 34 ALA N N 125.4 0.1 1 340 . 35 PRO HA H 4.81 0.02 1 341 . 35 PRO HB2 H 2.43 0.02 2 342 . 35 PRO HB3 H 1.99 0.02 2 343 . 35 PRO HD2 H 3.54 0.02 2 344 . 35 PRO HD3 H 3.21 0.02 2 345 . 35 PRO C C 177.4 0.2 1 346 . 35 PRO CA C 64.4 0.2 1 347 . 35 PRO CB C 31.4 0.2 1 348 . 36 GLN H H 9.11 0.02 1 349 . 36 GLN HA H 4.29 0.02 1 350 . 36 GLN HB2 H 2.08 0.02 1 351 . 36 GLN HB3 H 2.08 0.02 1 352 . 36 GLN HG2 H 2.58 0.02 2 353 . 36 GLN HG3 H 2.22 0.02 2 354 . 36 GLN C C 174.9 0.2 1 355 . 36 GLN CA C 56.2 0.2 1 356 . 36 GLN CB C 26.7 0.2 1 357 . 36 GLN CG C 33.1 0.2 1 358 . 36 GLN N N 118.5 0.1 1 359 . 37 ALA H H 8.19 0.02 1 360 . 37 ALA HA H 4.55 0.02 1 361 . 37 ALA HB H 1.27 0.02 1 362 . 37 ALA C C 174.3 0.2 1 363 . 37 ALA CA C 52.5 0.2 1 364 . 37 ALA CB C 21.6 0.2 1 365 . 37 ALA N N 125.0 0.1 1 366 . 38 ILE H H 7.70 0.02 1 367 . 38 ILE HA H 4.12 0.02 1 368 . 38 ILE HB H 1.45 0.02 1 369 . 38 ILE HG12 H 1.08 0.02 1 370 . 38 ILE HG13 H 1.08 0.02 1 371 . 38 ILE HG2 H 0.55 0.02 1 372 . 38 ILE HD1 H 0.59 0.02 1 373 . 38 ILE C C 174.0 0.2 1 374 . 38 ILE CA C 58.9 0.2 1 375 . 38 ILE CB C 40.7 0.2 1 376 . 38 ILE CG1 C 27.4 0.2 1 377 . 38 ILE CG2 C 18.0 0.2 1 378 . 38 ILE CD1 C 11.8 0.2 1 379 . 38 ILE N N 115.4 0.1 1 380 . 39 SER H H 8.43 0.02 1 381 . 39 SER HA H 4.59 0.02 1 382 . 39 SER HB2 H 3.35 0.02 2 383 . 39 SER HB3 H 3.54 0.02 2 384 . 39 SER C C 175.3 0.2 1 385 . 39 SER CA C 57.9 0.2 1 386 . 39 SER CB C 63.9 0.2 1 387 . 39 SER N N 119.7 0.1 1 388 . 40 SER H H 7.36 0.02 1 389 . 40 SER HA H 4.40 0.02 1 390 . 40 SER HB2 H 3.78 0.02 2 391 . 40 SER HB3 H 3.83 0.02 2 392 . 40 SER C C 171.8 0.2 1 393 . 40 SER CA C 58.0 0.2 1 394 . 40 SER CB C 65.0 0.2 1 395 . 40 SER N N 111.6 0.1 1 396 . 41 VAL H H 8.51 0.02 1 397 . 41 VAL HA H 4.63 0.02 1 398 . 41 VAL HB H 1.95 0.02 1 399 . 41 VAL HG1 H 0.88 0.02 2 400 . 41 VAL HG2 H 0.72 0.02 2 401 . 41 VAL C C 174.5 0.2 1 402 . 41 VAL CA C 62.5 0.2 1 403 . 41 VAL CB C 34.5 0.2 1 404 . 41 VAL CG1 C 21.3 0.2 2 405 . 41 VAL CG2 C 21.1 0.2 2 406 . 41 VAL N N 121.5 0.1 1 407 . 42 GLU H H 8.61 0.02 1 408 . 42 GLU HA H 4.63 0.02 1 409 . 42 GLU HB2 H 1.81 0.02 2 410 . 42 GLU HB3 H 1.89 0.02 2 411 . 42 GLU HG2 H 2.05 0.02 1 412 . 42 GLU HG3 H 2.05 0.02 1 413 . 42 GLU CA C 54.1 0.2 1 414 . 42 GLU CB C 34.1 0.2 1 415 . 42 GLU CG C 36.1 0.2 1 416 . 42 GLU N N 125.9 0.1 1 417 . 43 ASN H H 9.10 0.02 1 418 . 43 ASN HA H 4.82 0.02 1 419 . 43 ASN HB2 H 2.69 0.02 2 420 . 43 ASN HB3 H 2.46 0.02 2 421 . 43 ASN HD21 H 7.26 0.02 2 422 . 43 ASN HD22 H 6.67 0.02 2 423 . 43 ASN C C 175.1 0.2 1 424 . 43 ASN CA C 53.6 0.2 1 425 . 43 ASN CB C 38.2 0.2 1 426 . 43 ASN N N 125.1 0.1 1 427 . 43 ASN ND2 N 110.5 0.1 1 428 . 44 ILE H H 9.01 0.02 1 429 . 44 ILE HA H 4.15 0.02 1 430 . 44 ILE HB H 1.82 0.02 1 431 . 44 ILE HG12 H 1.26 0.02 2 432 . 44 ILE HG13 H 1.22 0.02 2 433 . 44 ILE HG2 H 0.89 0.02 1 434 . 44 ILE HD1 H 0.73 0.02 1 435 . 44 ILE C C 176.2 0.2 1 436 . 44 ILE CA C 61.9 0.2 1 437 . 44 ILE CB C 37.8 0.2 1 438 . 44 ILE CG1 C 27.2 0.2 1 439 . 44 ILE CG2 C 17.5 0.2 1 440 . 44 ILE CD1 C 12.1 0.2 1 441 . 44 ILE N N 126.0 0.1 1 442 . 45 GLU H H 7.73 0.02 1 443 . 45 GLU HA H 4.54 0.02 1 444 . 45 GLU HB2 H 2.07 0.02 2 445 . 45 GLU HB3 H 1.94 0.02 2 446 . 45 GLU HG2 H 2.20 0.02 1 447 . 45 GLU HG3 H 2.20 0.02 1 448 . 45 GLU C C 175.3 0.2 1 449 . 45 GLU CA C 56.2 0.2 1 450 . 45 GLU CB C 33.2 0.2 1 451 . 45 GLU CG C 36.6 0.2 1 452 . 45 GLU N N 118.9 0.1 1 453 . 46 GLY H H 8.50 0.02 1 454 . 46 GLY HA2 H 3.76 0.02 2 455 . 46 GLY HA3 H 4.63 0.02 2 456 . 46 GLY C C 173.7 0.2 1 457 . 46 GLY CA C 44.7 0.2 1 458 . 46 GLY N N 110.7 0.1 1 459 . 47 ASN H H 8.32 0.02 1 460 . 47 ASN HA H 4.93 0.02 1 461 . 47 ASN HB2 H 2.97 0.02 2 462 . 47 ASN HB3 H 2.81 0.02 2 463 . 47 ASN C C 175.9 0.2 1 464 . 47 ASN CA C 52.5 0.2 1 465 . 47 ASN CB C 39.6 0.2 1 466 . 47 ASN N N 115.3 0.1 1 467 . 48 GLY H H 8.80 0.02 1 468 . 48 GLY HA2 H 4.73 0.02 2 469 . 48 GLY HA3 H 3.50 0.02 2 470 . 48 GLY C C 175.1 0.2 1 471 . 48 GLY CA C 45.2 0.2 1 472 . 48 GLY N N 111.0 0.1 1 473 . 49 GLY H H 8.18 0.02 1 474 . 49 GLY HA2 H 4.04 0.02 2 475 . 49 GLY HA3 H 4.44 0.02 2 476 . 49 GLY CA C 44.0 0.2 1 477 . 49 GLY N N 107.5 0.1 1 478 . 50 PRO HA H 3.95 0.02 1 479 . 50 PRO HB2 H 2.34 0.02 2 480 . 50 PRO HB3 H 1.96 0.02 2 481 . 50 PRO C C 176.7 0.2 1 482 . 50 PRO CA C 64.6 0.2 1 483 . 50 PRO CB C 31.4 0.2 1 484 . 51 GLY H H 9.48 0.02 1 485 . 51 GLY HA2 H 4.48 0.02 2 486 . 51 GLY HA3 H 3.50 0.02 2 487 . 51 GLY C C 174.4 0.2 1 488 . 51 GLY CA C 44.6 0.2 1 489 . 51 GLY N N 115.3 0.1 1 490 . 52 THR H H 8.02 0.02 1 491 . 52 THR HA H 4.55 0.02 1 492 . 52 THR HB H 3.93 0.02 1 493 . 52 THR HG2 H 1.13 0.02 1 494 . 52 THR C C 173.1 0.2 1 495 . 52 THR CA C 64.5 0.2 1 496 . 52 THR CB C 69.7 0.2 1 497 . 52 THR CG2 C 20.0 0.2 1 498 . 52 THR N N 120.2 0.1 1 499 . 53 ILE H H 8.64 0.02 1 500 . 53 ILE HA H 5.16 0.02 1 501 . 53 ILE HB H 1.70 0.02 1 502 . 53 ILE HG12 H 1.71 0.02 2 503 . 53 ILE HG13 H 1.11 0.02 2 504 . 53 ILE HG2 H 0.84 0.02 1 505 . 53 ILE HD1 H 0.80 0.02 1 506 . 53 ILE C C 174.7 0.2 1 507 . 53 ILE CA C 59.2 0.2 1 508 . 53 ILE CB C 39.5 0.2 1 509 . 53 ILE CG1 C 27.0 0.2 1 510 . 53 ILE CG2 C 17.4 0.2 1 511 . 53 ILE CD1 C 12.0 0.2 1 512 . 53 ILE N N 126.8 0.1 1 513 . 54 LYS H H 9.44 0.02 1 514 . 54 LYS HA H 5.25 0.02 1 515 . 54 LYS HB2 H 1.55 0.02 1 516 . 54 LYS HB3 H 1.55 0.02 1 517 . 54 LYS HG2 H 1.40 0.02 2 518 . 54 LYS HG3 H 1.23 0.02 2 519 . 54 LYS HD2 H 1.81 0.02 2 520 . 54 LYS HD3 H 1.75 0.02 2 521 . 54 LYS HE2 H 4.32 0.02 1 522 . 54 LYS HE3 H 4.32 0.02 1 523 . 54 LYS C C 174.2 0.2 1 524 . 54 LYS CA C 53.9 0.2 1 525 . 54 LYS CB C 35.8 0.2 1 526 . 54 LYS CG C 24.8 0.2 1 527 . 54 LYS CD C 32.0 0.2 1 528 . 54 LYS N N 127.7 0.1 1 529 . 55 LYS H H 9.43 0.02 1 530 . 55 LYS HA H 5.13 0.02 1 531 . 55 LYS HB2 H 1.83 0.02 2 532 . 55 LYS HB3 H 1.35 0.02 2 533 . 55 LYS C C 175.3 0.2 1 534 . 55 LYS CA C 54.9 0.2 1 535 . 55 LYS CB C 35.9 0.2 1 536 . 55 LYS N N 132.5 0.1 1 537 . 56 ILE H H 9.48 0.02 1 538 . 56 ILE HA H 4.49 0.02 1 539 . 56 ILE HB H 1.73 0.02 1 540 . 56 ILE HG12 H 1.35 0.02 2 541 . 56 ILE HG13 H 1.07 0.02 2 542 . 56 ILE HG2 H 0.37 0.02 1 543 . 56 ILE HD1 H 0.75 0.02 1 544 . 56 ILE C C 174.8 0.2 1 545 . 56 ILE CA C 61.0 0.2 1 546 . 56 ILE CB C 38.8 0.2 1 547 . 56 ILE CG1 C 29.2 0.2 1 548 . 56 ILE CG2 C 19.1 0.2 1 549 . 56 ILE CD1 C 14.5 0.2 1 550 . 56 ILE N N 135.0 0.1 1 551 . 57 SER H H 8.44 0.02 1 552 . 57 SER HA H 5.01 0.02 1 553 . 57 SER HB2 H 3.80 0.02 2 554 . 57 SER HB3 H 3.85 0.02 2 555 . 57 SER C C 172.9 0.2 1 556 . 57 SER CA C 58.1 0.2 1 557 . 57 SER CB C 64.5 0.2 1 558 . 57 SER N N 121.0 0.1 1 559 . 58 PHE H H 7.94 0.02 1 560 . 58 PHE HA H 4.85 0.02 1 561 . 58 PHE HB2 H 2.87 0.02 1 562 . 58 PHE HB3 H 2.87 0.02 1 563 . 58 PHE CA C 56.0 0.2 1 564 . 58 PHE CB C 39.7 0.2 1 565 . 58 PHE N N 124.22 0.1 1 566 . 59 PRO HA H 4.50 0.02 1 567 . 59 PRO HB2 H 2.30 0.02 2 568 . 59 PRO HB3 H 1.96 0.02 2 569 . 59 PRO HG2 H 1.73 0.02 1 570 . 59 PRO HG3 H 1.73 0.02 1 571 . 59 PRO HD2 H 3.37 0.02 2 572 . 59 PRO HD3 H 3.14 0.02 2 573 . 59 PRO C C 176.0 0.2 1 574 . 59 PRO CA C 62.1 0.2 1 575 . 59 PRO CB C 32.6 0.2 1 576 . 59 PRO CG C 27.0 0.2 1 577 . 59 PRO CD C 50.7 0.2 1 578 . 60 GLU H H 8.44 0.02 1 579 . 60 GLU HA H 4.13 0.02 1 580 . 60 GLU HB2 H 2.01 0.02 1 581 . 60 GLU HB3 H 2.01 0.02 1 582 . 60 GLU HG2 H 2.33 0.02 1 583 . 60 GLU HG3 H 2.33 0.02 1 584 . 60 GLU C C 177.3 0.2 1 585 . 60 GLU CA C 58.1 0.2 1 586 . 60 GLU CB C 29.7 0.2 1 587 . 60 GLU CG C 36.1 0.2 1 588 . 60 GLU N N 120.7 0.1 1 589 . 61 GLY H H 8.79 0.02 1 590 . 61 GLY HA2 H 4.31 0.02 2 591 . 61 GLY HA3 H 3.60 0.02 2 592 . 61 GLY C C 174.3 0.2 1 593 . 61 GLY CA C 44.9 0.2 1 594 . 61 GLY N N 112.9 0.1 1 595 . 62 PHE H H 7.76 0.02 1 596 . 62 PHE HA H 4.60 0.02 1 597 . 62 PHE HB2 H 3.20 0.02 2 598 . 62 PHE HB3 H 2.97 0.02 2 599 . 62 PHE CA C 57.2 0.2 1 600 . 62 PHE CB C 39.6 0.2 1 601 . 62 PHE N N 124.1 0.1 1 602 . 63 PRO HA H 4.02 0.02 1 603 . 63 PRO HB2 H 1.89 0.02 2 604 . 63 PRO HB3 H 0.97 0.02 2 605 . 63 PRO HG2 H 1.51 0.02 2 606 . 63 PRO HG3 H 1.15 0.02 2 607 . 63 PRO C C 175.4 0.2 1 608 . 63 PRO CA C 64.6 0.2 1 609 . 63 PRO CB C 31.4 0.2 1 610 . 64 PHE H H 6.55 0.02 1 611 . 64 PHE HA H 5.09 0.02 1 612 . 64 PHE HB2 H 3.19 0.02 2 613 . 64 PHE HB3 H 2.80 0.02 2 614 . 64 PHE C C 175.1 0.2 1 615 . 64 PHE CA C 52.9 0.2 1 616 . 64 PHE CB C 40.7 0.2 1 617 . 64 PHE N N 113.3 0.1 1 618 . 65 LYS H H 9.05 0.02 1 619 . 65 LYS HA H 4.76 0.02 1 620 . 65 LYS HB2 H 2.20 0.02 2 621 . 65 LYS HB3 H 2.04 0.02 2 622 . 65 LYS HG2 H 1.74 0.02 2 623 . 65 LYS HG3 H 1.68 0.02 2 624 . 65 LYS HD2 H 1.86 0.02 1 625 . 65 LYS HD3 H 1.86 0.02 1 626 . 65 LYS HE2 H 3.11 0.02 1 627 . 65 LYS HE3 H 3.11 0.02 1 628 . 65 LYS C C 177.9 0.2 1 629 . 65 LYS CA C 58.2 0.2 1 630 . 65 LYS CB C 33.6 0.2 1 631 . 65 LYS CG C 25.3 0.2 1 632 . 65 LYS CD C 28.7 0.2 1 633 . 65 LYS CE C 42.3 0.2 1 634 . 65 LYS N N 120.4 0.1 1 635 . 66 TYR H H 7.79 0.02 1 636 . 66 TYR HA H 5.86 0.02 1 637 . 66 TYR HB2 H 3.19 0.02 2 638 . 66 TYR HB3 H 2.90 0.02 2 639 . 66 TYR CA C 56.7 0.2 1 640 . 66 TYR CB C 40.5 0.2 1 641 . 66 TYR N N 114.9 0.1 1 642 . 67 VAL H H 9.02 0.02 1 643 . 67 VAL HA H 4.65 0.02 1 644 . 67 VAL HB H 2.11 0.02 1 645 . 67 VAL HG1 H 1.04 0.02 2 646 . 67 VAL HG2 H 0.88 0.02 2 647 . 67 VAL CA C 61.0 0.2 1 648 . 67 VAL CB C 36.6 0.2 1 649 . 67 VAL CG1 C 21.0 0.2 2 650 . 67 VAL CG2 C 21.3 0.2 2 651 . 67 VAL N N 115.1 0.1 1 652 . 68 LYS H H 8.57 0.02 1 653 . 68 LYS HA H 5.98 0.02 1 654 . 68 LYS HB2 H 1.76 0.02 2 655 . 68 LYS HB3 H 1.63 0.02 2 656 . 68 LYS HG2 H 1.40 0.02 1 657 . 68 LYS HG3 H 1.40 0.02 1 658 . 68 LYS HD2 H 1.47 0.02 1 659 . 68 LYS HD3 H 1.47 0.02 1 660 . 68 LYS HE2 H 2.91 0.02 1 661 . 68 LYS HE3 H 2.91 0.02 1 662 . 68 LYS CA C 55.2 0.2 1 663 . 68 LYS CB C 35.8 0.2 1 664 . 68 LYS CG C 25.0 0.2 1 665 . 68 LYS CE C 41.6 0.2 1 666 . 68 LYS N N 122.3 0.1 1 667 . 70 ARG H H 9.76 0.02 1 668 . 70 ARG HA H 5.53 0.02 1 669 . 70 ARG HB2 H 1.85 0.02 1 670 . 70 ARG HB3 H 1.85 0.02 1 671 . 70 ARG C C 176.2 0.2 1 672 . 70 ARG CA C 53.1 0.2 1 673 . 70 ARG CB C 33.8 0.2 1 674 . 70 ARG N N 122.5 0.1 1 675 . 71 VAL H H 9.19 0.02 1 676 . 71 VAL HA H 3.66 0.02 1 677 . 71 VAL HB H 2.14 0.02 1 678 . 71 VAL HG1 H 1.05 0.02 2 679 . 71 VAL HG2 H 0.87 0.02 2 680 . 71 VAL C C 174.9 0.2 1 681 . 71 VAL CA C 64.5 0.2 1 682 . 71 VAL CB C 32.2 0.2 . 683 . 71 VAL CG2 C 21.2 0.2 1 684 . 71 VAL N N 128.1 0.1 1 685 . 72 ASP H H 9.13 0.02 1 686 . 72 ASP HA H 5.06 0.02 1 687 . 72 ASP HB2 H 2.71 0.02 2 688 . 72 ASP HB3 H 2.19 0.02 2 689 . 72 ASP C C 176.1 0.2 1 690 . 72 ASP CA C 56.2 0.2 1 691 . 72 ASP CB C 42.9 0.2 1 692 . 72 ASP N N 130.6 0.1 1 693 . 73 GLU H H 8.27 0.02 1 694 . 73 GLU HA H 4.56 0.02 1 695 . 73 GLU HB2 H 2.12 0.02 2 696 . 73 GLU HB3 H 2.00 0.02 2 697 . 73 GLU C C 174.0 0.2 1 698 . 73 GLU CA C 57.1 0.2 1 699 . 73 GLU CB C 34.1 0.2 1 700 . 73 GLU N N 118.6 0.1 1 701 . 74 VAL H H 8.89 0.02 1 702 . 74 VAL HA H 4.71 0.02 1 703 . 74 VAL HB H 2.22 0.02 1 704 . 74 VAL HG1 H 1.05 0.02 2 705 . 74 VAL HG2 H 0.88 0.02 2 706 . 74 VAL C C 173.8 0.2 1 707 . 74 VAL CA C 62.6 0.2 1 708 . 74 VAL CB C 34.2 0.2 1 709 . 74 VAL CG1 C 21.0 0.2 2 710 . 74 VAL CG2 C 21.1 0.2 2 711 . 74 VAL N N 124.5 0.1 1 712 . 75 ASP H H 9.24 0.02 1 713 . 75 ASP HA H 5.17 0.02 1 714 . 75 ASP HB2 H 3.01 0.02 2 715 . 75 ASP HB3 H 2.63 0.02 2 716 . 75 ASP CA C 52.3 0.2 1 717 . 75 ASP CB C 42.4 0.2 1 718 . 75 ASP N N 127.8 0.1 1 719 . 76 HIS H H 8.98 0.02 1 720 . 76 HIS HA H 4.29 0.02 1 721 . 76 HIS HB2 H 3.32 0.02 2 722 . 76 HIS HB3 H 3.15 0.02 2 723 . 76 HIS HD2 H 7.22 0.02 1 724 . 76 HIS HE1 H 7.79 0.02 1 725 . 76 HIS C C 176.5 0.2 1 726 . 76 HIS CA C 60.0 0.2 1 727 . 76 HIS CB C 31.4 0.2 1 728 . 76 HIS N N 123.7 0.1 1 729 . 77 THR H H 8.23 0.02 1 730 . 77 THR HA H 3.86 0.02 1 731 . 77 THR HB H 4.04 0.02 1 732 . 77 THR HG2 H 1.05 0.02 1 733 . 77 THR C C 174.4 0.2 1 734 . 77 THR CA C 64.9 0.2 1 735 . 77 THR CB C 68.8 0.2 1 736 . 77 THR CG2 C 21.5 0.2 1 737 . 77 THR N N 115.1 0.1 1 738 . 78 ASN H H 7.58 0.02 1 739 . 78 ASN HA H 4.34 0.02 1 740 . 78 ASN HB2 H 2.64 0.02 2 741 . 78 ASN HB3 H 2.21 0.02 2 742 . 78 ASN HD21 H 8.73 0.02 2 743 . 78 ASN HD22 H 6.98 0.02 2 744 . 78 ASN C C 172.8 0.2 1 745 . 78 ASN CA C 52.4 0.2 1 746 . 78 ASN CB C 39.3 0.2 1 747 . 78 ASN N N 116.9 0.1 1 748 . 78 ASN ND2 N 119.2 0.1 1 749 . 79 PHE H H 6.85 0.02 1 750 . 79 PHE HA H 3.10 0.02 1 751 . 79 PHE HB2 H 3.94 0.02 2 752 . 79 PHE HB3 H 2.62 0.02 2 753 . 79 PHE HD1 H 6.51 0.02 1 754 . 79 PHE HD2 H 6.51 0.02 1 755 . 79 PHE HE1 H 7.20 0.02 1 756 . 79 PHE HE2 H 7.20 0.02 1 757 . 79 PHE HZ H 7.03 0.02 1 758 . 79 PHE C C 173.1 0.2 1 759 . 79 PHE CA C 55.2 0.2 1 760 . 79 PHE CB C 35.1 0.2 1 761 . 79 PHE N N 117.0 0.1 1 762 . 80 LYS H H 7.97 0.02 1 763 . 80 LYS HA H 5.66 0.02 1 764 . 80 LYS HB2 H 1.90 0.02 2 765 . 80 LYS HB3 H 1.55 0.02 2 766 . 80 LYS C C 174.4 0.2 1 767 . 80 LYS CA C 55.7 0.2 1 768 . 80 LYS CB C 37.8 0.2 1 769 . 80 LYS N N 118.6 0.1 1 770 . 81 TYR H H 9.41 0.02 1 771 . 81 TYR HA H 5.51 0.02 1 772 . 81 TYR HB2 H 3.05 0.02 1 773 . 81 TYR HB3 H 3.05 0.02 1 774 . 81 TYR HD1 H 7.10 0.02 1 775 . 81 TYR HD2 H 7.10 0.02 1 776 . 81 TYR C C 172.4 0.2 1 777 . 81 TYR CA C 55.5 0.2 1 778 . 81 TYR CB C 43.7 0.2 1 779 . 81 TYR N N 128.2 0.1 1 780 . 82 ASN H H 9.14 0.02 1 781 . 82 ASN HA H 5.88 0.02 1 782 . 82 ASN HB2 H 2.98 0.02 2 783 . 82 ASN HB3 H 2.55 0.02 2 784 . 82 ASN C C 173.8 0.2 1 785 . 82 ASN CA C 52.1 0.2 1 786 . 82 ASN CB C 40.9 0.2 1 787 . 82 ASN N N 126.2 0.1 1 788 . 83 TYR H H 8.70 0.02 1 789 . 83 TYR HA H 5.29 0.02 1 790 . 83 TYR HB2 H 2.55 0.02 1 791 . 83 TYR HB3 H 2.55 0.02 1 792 . 83 TYR HD1 H 6.42 0.02 1 793 . 83 TYR HD2 H 6.42 0.02 1 794 . 83 TYR HE1 H 6.64 0.02 1 795 . 83 TYR HE2 H 6.64 0.02 1 796 . 83 TYR C C 173.0 0.2 1 797 . 83 TYR CA C 56.5 0.2 1 798 . 83 TYR CB C 40.6 0.2 1 799 . 83 TYR N N 121.8 0.1 1 800 . 84 SER H H 9.53 0.02 1 801 . 84 SER HA H 5.55 0.02 1 802 . 84 SER HB2 H 3.46 0.02 2 803 . 84 SER HB3 H 3.64 0.02 2 804 . 84 SER C C 172.9 0.2 1 805 . 84 SER CA C 57.3 0.2 1 806 . 84 SER CB C 66.2 0.2 1 807 . 84 SER N N 118.3 0.1 1 808 . 85 VAL H H 9.51 0.02 1 809 . 85 VAL HA H 4.76 0.02 1 810 . 85 VAL HB H 1.93 0.02 1 811 . 85 VAL HG1 H 1.04 0.02 2 812 . 85 VAL HG2 H 0.91 0.02 2 813 . 85 VAL C C 177.4 0.2 1 814 . 85 VAL CA C 62.5 0.2 1 815 . 85 VAL CB C 32.2 0.2 1 816 . 85 VAL CG1 C 20.6 0.2 2 817 . 85 VAL CG2 C 20.9 0.2 2 818 . 85 VAL N N 128.2 0.1 1 819 . 86 ILE H H 8.35 0.02 1 820 . 86 ILE HA H 4.89 0.02 1 821 . 86 ILE HB H 2.17 0.02 1 822 . 86 ILE HG12 H 1.28 0.02 2 823 . 86 ILE HG13 H 0.96 0.02 2 824 . 86 ILE HG2 H 0.81 0.02 1 825 . 86 ILE HD1 H 0.86 0.02 1 826 . 86 ILE C C 176.1 0.2 1 827 . 86 ILE CA C 60.9 0.2 1 828 . 86 ILE CB C 40.9 0.2 1 829 . 86 ILE CG1 C 26.0 0.2 1 830 . 86 ILE CG2 C 18.7 0.2 1 831 . 86 ILE CD1 C 14.5 0.2 1 832 . 86 ILE N N 116.3 0.1 1 833 . 87 GLU H H 7.76 0.02 1 834 . 87 GLU HA H 4.25 0.02 1 835 . 87 GLU HB2 H 2.30 0.02 2 836 . 87 GLU HB3 H 1.75 0.02 2 837 . 87 GLU HG2 H 2.52 0.02 2 838 . 87 GLU HG3 H 2.37 0.02 2 839 . 87 GLU C C 173.9 0.2 1 840 . 87 GLU CA C 56.7 0.2 1 841 . 87 GLU CB C 34.7 0.2 1 842 . 87 GLU CG C 37.3 0.2 1 843 . 87 GLU N N 122.8 0.1 1 844 . 88 GLY H H 8.80 0.02 1 845 . 88 GLY HA2 H 3.83 0.02 2 846 . 88 GLY HA3 H 3.48 0.02 2 847 . 88 GLY C C 172.9 0.2 1 848 . 88 GLY CA C 43.7 0.2 1 849 . 88 GLY N N 112.9 0.1 1 850 . 89 GLY H H 8.06 0.02 1 851 . 89 GLY HA2 H 2.42 0.02 2 852 . 89 GLY HA3 H 3.19 0.02 2 853 . 89 GLY CA C 44.6 0.2 1 854 . 89 GLY N N 106.4 0.1 1 855 . 90 PRO C C 175.7 0.2 1 856 . 90 PRO CA C 62.9 0.2 1 857 . 90 PRO CB C 32.0 0.2 1 858 . 91 ILE H H 7.83 0.02 1 859 . 91 ILE HA H 3.72 0.02 1 860 . 91 ILE HB H 2.18 0.02 1 861 . 91 ILE HG12 H 1.42 0.02 2 862 . 91 ILE HG13 H 0.95 0.02 2 863 . 91 ILE HG2 H 0.87 0.02 1 864 . 91 ILE HD1 H 0.45 0.02 1 865 . 91 ILE C C 176.8 0.2 1 866 . 91 ILE CA C 60.8 0.2 1 867 . 91 ILE CB C 34.4 0.2 1 868 . 91 ILE CG1 C 28.1 0.2 1 869 . 91 ILE CG2 C 17.6 0.2 1 870 . 91 ILE CD1 C 9.7 0.2 1 871 . 91 ILE N N 123.3 0.1 1 872 . 92 GLY H H 8.52 0.02 1 873 . 92 GLY HA2 H 3.93 0.02 2 874 . 92 GLY HA3 H 4.20 0.02 2 875 . 92 GLY C C 173.8 0.2 1 876 . 92 GLY CA C 46.1 0.2 1 877 . 92 GLY N N 117.8 0.1 1 878 . 93 ASP H H 8.73 0.02 1 879 . 93 ASP HA H 4.40 0.02 1 880 . 93 ASP HB2 H 2.73 0.02 2 881 . 93 ASP HB3 H 2.66 0.02 2 882 . 93 ASP C C 176.3 0.2 1 883 . 93 ASP CA C 56.5 0.2 1 884 . 93 ASP CB C 40.7 0.2 1 885 . 93 ASP N N 122.3 0.1 1 886 . 94 THR H H 7.83 0.02 1 887 . 94 THR HA H 4.26 0.02 1 888 . 94 THR HB H 4.06 0.02 1 889 . 94 THR HG2 H 0.59 0.02 1 890 . 94 THR C C 174.3 0.2 1 891 . 94 THR CA C 62.0 0.2 1 892 . 94 THR CB C 70.1 0.2 1 893 . 94 THR CG2 C 21.2 0.2 1 894 . 94 THR N N 106.7 0.1 1 895 . 95 LEU H H 7.61 0.02 1 896 . 95 LEU HA H 4.80 0.02 1 897 . 95 LEU HB2 H 1.86 0.02 2 898 . 95 LEU HB3 H 1.46 0.02 2 899 . 95 LEU HG H 1.45 0.02 1 900 . 95 LEU HD1 H 1.08 0.02 2 901 . 95 LEU HD2 H 0.91 0.02 2 902 . 95 LEU CA C 54.7 0.2 1 903 . 95 LEU CB C 44.2 0.2 1 904 . 95 LEU CG C 27.2 0.2 1 905 . 95 LEU CD1 C 25.1 0.2 2 906 . 95 LEU CD2 C 26.0 0.2 2 907 . 95 LEU N N 124.9 0.1 1 908 . 96 GLU H H 9.07 0.02 1 909 . 96 GLU HA H 4.34 0.02 1 910 . 96 GLU HB2 H 1.98 0.02 1 911 . 96 GLU HB3 H 1.98 0.02 1 912 . 96 GLU C C 176.0 0.2 1 913 . 96 GLU CA C 58.0 0.2 1 914 . 96 GLU CB C 31.9 0.2 1 915 . 96 GLU N N 125.1 0.1 1 916 . 97 LYS H H 7.62 0.02 1 917 . 97 LYS HA H 4.68 0.02 1 918 . 97 LYS HB2 H 1.82 0.02 2 919 . 97 LYS HB3 H 1.73 0.02 2 920 . 97 LYS HG2 H 1.15 0.02 2 921 . 97 LYS HG3 H 1.02 0.02 2 922 . 97 LYS HD2 H 1.36 0.02 2 923 . 97 LYS HD3 H 1.27 0.02 2 924 . 97 LYS HE2 H 2.23 0.02 2 925 . 97 LYS HE3 H 2.01 0.02 2 926 . 97 LYS C C 173.8 0.2 1 927 . 97 LYS CA C 56.2 0.2 1 928 . 97 LYS CB C 34.7 0.2 1 929 . 97 LYS CG C 24.0 0.2 1 930 . 97 LYS CD C 29.5 0.2 1 931 . 97 LYS CE C 41.2 0.2 1 932 . 97 LYS N N 113.5 0.1 1 933 . 98 ILE H H 7.72 0.02 1 934 . 98 ILE HA H 4.98 0.02 1 935 . 98 ILE HB H 1.39 0.02 1 936 . 98 ILE HG12 H 0.51 0.02 2 937 . 98 ILE HG13 H 1.35 0.02 2 938 . 98 ILE HG2 H 0.29 0.02 1 939 . 98 ILE HD1 H 0.68 0.02 1 940 . 98 ILE C C 176.1 0.2 1 941 . 98 ILE CA C 60.4 0.2 1 942 . 98 ILE CB C 41.4 0.2 1 943 . 98 ILE CG1 C 27.3 0.2 1 944 . 98 ILE CG2 C 17.1 0.2 1 945 . 98 ILE CD1 C 14.5 0.2 1 946 . 98 ILE N N 121.2 0.1 1 947 . 99 SER H H 9.79 0.02 1 948 . 99 SER HA H 4.92 0.02 1 949 . 99 SER HB2 H 3.83 0.02 1 950 . 99 SER HB3 H 3.83 0.02 1 951 . 99 SER C C 174.2 0.2 1 952 . 99 SER CA C 58.1 0.2 1 953 . 99 SER CB C 64.2 0.2 1 954 . 99 SER N N 124.8 0.1 1 955 . 100 ASN H H 9.06 0.02 1 956 . 100 ASN HA H 5.82 0.02 1 957 . 100 ASN HB2 H 1.96 0.02 2 958 . 100 ASN HB3 H 1.42 0.02 2 959 . 100 ASN C C 174.9 0.2 1 960 . 100 ASN CA C 52.4 0.2 1 961 . 100 ASN CB C 42.6 0.2 1 962 . 100 ASN N N 124.7 0.1 1 963 . 101 GLU H H 9.00 0.02 1 964 . 101 GLU HA H 5.28 0.02 1 965 . 101 GLU HB2 H 2.05 0.02 2 966 . 101 GLU HB3 H 1.93 0.02 2 967 . 101 GLU C C 174.6 0.2 1 968 . 101 GLU CA C 55.6 0.2 1 969 . 101 GLU CB C 34.4 0.2 1 970 . 101 GLU N N 124.1 0.1 1 971 . 102 ILE H H 9.49 0.02 1 972 . 102 ILE HA H 5.05 0.02 1 973 . 102 ILE HB H 2.24 0.02 1 974 . 102 ILE HG12 H 1.43 0.02 2 975 . 102 ILE HG13 H 1.95 0.02 2 976 . 102 ILE HG2 H 1.05 0.02 1 977 . 102 ILE HD1 H 1.25 0.02 1 978 . 102 ILE C C 174.7 0.2 1 979 . 102 ILE CA C 60.8 0.2 1 980 . 102 ILE CB C 41.0 0.2 1 981 . 102 ILE CG1 C 28.0 0.2 1 982 . 102 ILE CG2 C 17.7 0.2 1 983 . 102 ILE CD1 C 14.4 0.2 1 984 . 102 ILE N N 127.1 0.1 1 985 . 103 LYS H H 9.10 0.02 1 986 . 103 LYS HA H 5.51 0.02 1 987 . 103 LYS HB2 H 1.94 0.02 2 988 . 103 LYS HB3 H 1.25 0.02 2 989 . 103 LYS C C 174.5 0.2 1 990 . 103 LYS CA C 55.0 0.2 1 991 . 103 LYS CB C 36.4 0.2 1 992 . 103 LYS N N 129.3 0.1 1 993 . 104 ILE H H 8.62 0.02 1 994 . 104 ILE HA H 5.06 0.02 1 995 . 104 ILE HB H 1.95 0.02 1 996 . 104 ILE HG2 H 0.98 0.02 1 997 . 104 ILE C C 174.9 0.2 1 998 . 104 ILE CA C 61.2 0.2 1 999 . 104 ILE CB C 38.8 0.2 1 1000 . 104 ILE CG2 C 17.4 0.2 1 1001 . 104 ILE N N 125.8 0.1 1 1002 . 105 VAL H H 9.27 0.02 1 1003 . 105 VAL HA H 4.40 0.02 1 1004 . 105 VAL HB H 2.08 0.02 1 1005 . 105 VAL HG1 H 1.02 0.02 2 1006 . 105 VAL HG2 H 0.91 0.02 2 1007 . 105 VAL C C 175.0 0.2 1 1008 . 105 VAL CA C 60.4 0.2 1 1009 . 105 VAL CB C 34.8 0.2 1 1010 . 105 VAL CG1 C 21.0 0.2 2 1011 . 105 VAL CG2 C 20.9 0.2 2 1012 . 105 VAL N N 127.2 0.1 1 1013 . 106 ALA H H 8.77 0.02 1 1014 . 106 ALA HA H 4.76 0.02 1 1015 . 106 ALA HB H 1.51 0.02 1 1016 . 106 ALA C C 178.5 0.2 1 1017 . 106 ALA CA C 52.6 0.2 1 1018 . 106 ALA CB C 20.4 0.2 1 1019 . 106 ALA N N 128.7 0.1 1 1020 . 107 THR H H 8.05 0.02 1 1021 . 107 THR HA H 4.88 0.02 1 1022 . 107 THR HB H 4.54 0.02 1 1023 . 107 THR HG2 H 1.13 0.02 1 1024 . 107 THR CA C 58.9 0.2 1 1025 . 107 THR CB C 68.3 0.2 1 1026 . 107 THR CG2 C 22.7 0.2 1 1027 . 107 THR N N 113.8 0.1 1 1028 . 108 PRO HA H 4.38 0.02 1 1029 . 108 PRO HB2 H 2.40 0.02 2 1030 . 108 PRO HB3 H 1.98 0.02 2 1031 . 108 PRO C C 176.9 0.2 1 1032 . 108 PRO CA C 65.1 0.2 1 1033 . 108 PRO CB C 31.7 0.2 1 1034 . 109 ASP H H 7.79 0.02 1 1035 . 109 ASP HA H 4.58 0.02 1 1036 . 109 ASP HB2 H 2.78 0.02 2 1037 . 109 ASP HB3 H 2.66 0.02 2 1038 . 109 ASP C C 176.5 0.2 1 1039 . 109 ASP CA C 53.8 0.2 1 1040 . 109 ASP CB C 40.4 0.2 1 1041 . 109 ASP N N 114.6 0.1 1 1042 . 110 GLY H H 7.96 0.02 1 1043 . 110 GLY HA2 H 4.36 0.02 2 1044 . 110 GLY HA3 H 3.79 0.02 2 1045 . 110 GLY C C 174.2 0.2 1 1046 . 110 GLY CA C 45.5 0.2 1 1047 . 110 GLY N N 108.4 0.1 1 1048 . 111 GLY H H 7.30 0.02 1 1049 . 111 GLY HA2 H 4.12 0.02 2 1050 . 111 GLY HA3 H 3.64 0.02 2 1051 . 111 GLY C C 174.1 0.2 1 1052 . 111 GLY CA C 43.5 0.2 1 1053 . 111 GLY N N 108.7 0.1 1 1054 . 112 SER H H 8.77 0.02 1 1055 . 112 SER HA H 5.57 0.02 1 1056 . 112 SER HB2 H 3.42 0.02 2 1057 . 112 SER HB3 H 3.63 0.02 2 1058 . 112 SER C C 174.0 0.2 1 1059 . 112 SER CA C 58.8 0.2 1 1060 . 112 SER CB C 67.5 0.2 1 1061 . 112 SER N N 116.6 0.1 1 1062 . 113 ILE H H 9.30 0.02 1 1063 . 113 ILE HA H 4.57 0.02 1 1064 . 113 ILE HB H 1.52 0.02 1 1065 . 113 ILE HG12 H 1.47 0.02 2 1066 . 113 ILE HG13 H 0.92 0.02 2 1067 . 113 ILE HG2 H 0.81 0.02 1 1068 . 113 ILE HD1 H 0.77 0.02 1 1069 . 113 ILE C C 174.3 0.2 1 1070 . 113 ILE CA C 60.4 0.2 1 1071 . 113 ILE CB C 42.0 0.2 1 1072 . 113 ILE CG1 C 28.2 0.2 1 1073 . 113 ILE CG2 C 17.8 0.2 1 1074 . 113 ILE CD1 C 14.9 0.2 1 1075 . 113 ILE N N 122.5 0.1 1 1076 . 114 LEU H H 9.10 0.02 1 1077 . 114 LEU HA H 5.03 0.02 1 1078 . 114 LEU HB2 H 1.52 0.02 2 1079 . 114 LEU HB3 H 1.35 0.02 2 1080 . 114 LEU HG H 1.46 0.02 1 1081 . 114 LEU HD1 H 0.62 0.02 2 1082 . 114 LEU HD2 H 0.60 0.02 2 1083 . 114 LEU C C 175.1 0.2 1 1084 . 114 LEU CA C 55.2 0.2 1 1085 . 114 LEU CB C 42.9 0.2 1 1086 . 114 LEU CG C 29.5 0.2 1 1087 . 114 LEU CD1 C 25.3 0.2 2 1088 . 114 LEU CD2 C 27.3 0.2 2 1089 . 114 LEU N N 127.7 0.1 1 1090 . 115 LYS H H 9.30 0.02 1 1091 . 115 LYS HA H 4.91 0.02 1 1092 . 115 LYS HB2 H 1.96 0.02 2 1093 . 115 LYS HB3 H 1.87 0.02 2 1094 . 115 LYS C C 175.7 0.2 1 1095 . 115 LYS CA C 55.4 0.2 1 1096 . 115 LYS CB C 33.1 0.2 1 1097 . 116 ILE H H 8.81 0.02 1 1098 . 116 ILE HA H 5.05 0.02 1 1099 . 116 ILE HB H 1.78 0.02 1 1100 . 116 ILE C C 175.3 0.2 1 1101 . 116 ILE CA C 60.8 0.2 1 1102 . 116 ILE CB C 40.8 0.2 1 1103 . 116 ILE N N 127.1 0.1 1 1104 . 117 SER H H 9.14 0.02 1 1105 . 117 SER HA H 5.38 0.02 1 1106 . 117 SER HB2 H 3.87 0.02 2 1107 . 117 SER HB3 H 3.93 0.02 2 1108 . 117 SER C C 173.9 0.2 1 1109 . 117 SER CA C 56.5 0.2 1 1110 . 117 SER CB C 64.5 0.2 1 1111 . 117 SER N N 123.3 0.1 1 1112 . 118 ASN H H 9.28 0.02 1 1113 . 118 ASN HA H 5.50 0.02 1 1114 . 118 ASN HB2 H 2.87 0.02 2 1115 . 118 ASN HB3 H 2.61 0.02 2 1116 . 118 ASN HD21 H 7.92 0.02 2 1117 . 118 ASN HD22 H 6.52 0.02 2 1118 . 118 ASN C C 173.0 0.2 1 1119 . 118 ASN CA C 52.4 0.2 1 1120 . 118 ASN CB C 42.6 0.2 1 1121 . 118 ASN N N 125.5 0.1 1 1122 . 118 ASN ND2 N 112.0 0.1 1 1123 . 119 LYS H H 9.03 0.02 1 1124 . 119 LYS HA H 5.29 0.02 1 1125 . 119 LYS HB2 H 1.86 0.02 2 1126 . 119 LYS HB3 H 1.56 0.02 2 1127 . 119 LYS C C 174.7 0.2 1 1128 . 119 LYS CA C 55.3 0.2 1 1129 . 119 LYS CB C 33.6 0.2 1 1130 . 119 LYS N N 124.8 0.1 . 1131 . 120 TYR H H 9.64 0.02 1 1132 . 120 TYR HA H 4.51 0.02 1 1133 . 120 TYR HB2 H 3.34 0.02 2 1134 . 120 TYR HB3 H 2.74 0.02 2 1135 . 120 TYR HD1 H 7.24 0.02 1 1136 . 120 TYR HD2 H 7.24 0.02 1 1137 . 120 TYR HE1 H 6.63 0.02 1 1138 . 120 TYR HE2 H 6.63 0.02 1 1139 . 120 TYR C C 174.7 0.2 1 1140 . 120 TYR CA C 58.4 0.2 1 1141 . 120 TYR CB C 40.3 0.2 1 1142 . 120 TYR N N 127.1 0.1 1 1143 . 121 HIS H H 8.57 0.02 1 1144 . 121 HIS HA H 5.28 0.02 1 1145 . 121 HIS HB2 H 3.26 0.02 1 1146 . 121 HIS HB3 H 3.26 0.02 1 1147 . 121 HIS HD2 H 6.81 0.02 1 1148 . 121 HIS HE1 H 7.58 0.02 1 1149 . 121 HIS C C 175.5 0.2 1 1150 . 121 HIS CA C 55.0 0.2 1 1151 . 121 HIS CB C 29.5 0.2 1 1152 . 121 HIS N N 124.7 0.1 1 1153 . 122 THR H H 9.24 0.02 1 1154 . 122 THR HA H 5.11 0.02 1 1155 . 122 THR HB H 4.46 0.02 1 1156 . 122 THR HG2 H 1.22 0.02 1 1157 . 122 THR C C 175.2 0.2 1 1158 . 122 THR CA C 60.1 0.2 1 1159 . 122 THR CB C 71.0 0.2 1 1160 . 122 THR CG2 C 22.9 0.2 1 1161 . 122 THR N N 116.6 0.1 1 1162 . 123 LYS H H 8.22 0.02 1 1163 . 123 LYS HA H 4.50 0.02 1 1164 . 123 LYS HB2 H 1.88 0.02 2 1165 . 123 LYS HB3 H 1.65 0.02 2 1166 . 123 LYS C C 176.7 0.2 1 1167 . 123 LYS CA C 55.8 0.2 1 1168 . 123 LYS CB C 33.6 0.2 1 1169 . 123 LYS N N 122.1 0.1 1 1170 . 124 GLY H H 8.76 0.02 1 1171 . 124 GLY HA2 H 3.89 0.02 2 1172 . 124 GLY HA3 H 3.79 0.02 2 1173 . 124 GLY C C 174.5 0.2 1 1174 . 124 GLY CA C 47.0 0.2 1 1175 . 124 GLY N N 112.7 0.1 1 1176 . 125 ASP H H 8.64 0.02 1 1177 . 125 ASP C C 176.5 0.2 1 1178 . 125 ASP CA C 53.5 0.2 1 1179 . 125 ASP CB C 40.6 0.2 1 1180 . 125 ASP N N 125.5 0.1 1 1181 . 126 HIS H H 8.00 0.02 1 1182 . 126 HIS HA H 4.40 0.02 1 1183 . 126 HIS HB2 H 3.38 0.02 2 1184 . 126 HIS HB3 H 3.13 0.02 2 1185 . 126 HIS C C 175.9 0.2 1 1186 . 126 HIS CA C 58.5 0.2 1 1187 . 126 HIS CB C 31.4 0.2 1 1188 . 126 HIS N N 119.9 0.1 1 1189 . 127 GLU H H 8.62 0.02 1 1190 . 127 GLU HA H 4.26 0.02 1 1191 . 127 GLU HB2 H 1.88 0.02 2 1192 . 127 GLU HB3 H 1.73 0.02 2 1193 . 127 GLU HG2 H 2.16 0.02 2 1194 . 127 GLU HG3 H 2.61 0.02 2 1195 . 127 GLU C C 176.2 0.2 1 1196 . 127 GLU CA C 54.8 0.2 1 1197 . 127 GLU CB C 31.6 0.2 1 1198 . 127 GLU CG C 36.2 0.2 1 1199 . 127 GLU N N 122.3 0.1 1 1200 . 128 VAL H H 7.41 0.02 1 1201 . 128 VAL HA H 3.75 0.02 1 1202 . 128 VAL HB H 1.40 0.02 1 1203 . 128 VAL HG1 H 0.53 0.02 2 1204 . 128 VAL HG2 H 0.24 0.02 2 1205 . 128 VAL C C 175.8 0.2 1 1206 . 128 VAL CA C 61.5 0.2 1 1207 . 128 VAL CB C 32.3 0.2 1 1208 . 128 VAL CG1 C 22.5 0.2 2 1209 . 128 VAL CG2 C 21.0 0.2 2 1210 . 128 VAL N N 121.4 0.1 1 1211 . 129 LYS H H 8.57 0.02 1 1212 . 129 LYS HA H 4.25 0.02 1 1213 . 129 LYS HB2 H 1.66 0.02 1 1214 . 129 LYS HB3 H 1.66 0.02 1 1215 . 129 LYS C C 177.7 0.2 1 1216 . 129 LYS CA C 55.8 0.2 1 1217 . 129 LYS CB C 32.3 0.2 1 1218 . 129 LYS N N 127.8 0.1 1 1219 . 130 ALA H H 8.86 0.02 1 1220 . 130 ALA HA H 3.78 0.02 1 1221 . 130 ALA HB H 1.38 0.02 1 1222 . 130 ALA C C 180.4 0.2 1 1223 . 130 ALA CA C 55.4 0.2 1 1224 . 130 ALA CB C 18.2 0.2 1 1225 . 130 ALA N N 129.7 0.1 1 1226 . 131 GLU H H 9.54 0.02 1 1227 . 131 GLU C C 179.1 0.2 1 1228 . 131 GLU CA C 59.6 0.2 1 1229 . 131 GLU CB C 28.7 0.2 1 1230 . 131 GLU N N 117.2 0.1 1 1231 . 132 GLN H H 7.45 0.02 1 1232 . 132 GLN HA H 4.13 0.02 1 1233 . 132 GLN HB2 H 2.26 0.02 2 1234 . 132 GLN HB3 H 2.00 0.02 2 1235 . 132 GLN HG2 H 2.36 0.02 1 1236 . 132 GLN HG3 H 2.36 0.02 1 1237 . 132 GLN HE21 H 7.65 0.02 2 1238 . 132 GLN HE22 H 6.70 0.02 2 1239 . 132 GLN C C 178.2 0.2 1 1240 . 132 GLN CA C 58.2 0.2 1 1241 . 132 GLN CB C 27.9 0.2 1 1242 . 132 GLN CG C 34.2 0.2 1 1243 . 132 GLN N N 120.2 0.1 1 1244 . 132 GLN NE2 N 111.3 0.1 1 1245 . 133 VAL H H 6.94 0.02 1 1246 . 133 VAL HA H 3.52 0.02 1 1247 . 133 VAL HB H 1.73 0.02 1 1248 . 133 VAL HG1 H 0.36 0.02 2 1249 . 133 VAL HG2 H 0.08 0.02 2 1250 . 133 VAL C C 178.8 0.2 1 1251 . 133 VAL CA C 65.4 0.2 1 1252 . 133 VAL CB C 31.7 0.2 1 1253 . 133 VAL CG1 C 20.4 0.2 2 1254 . 133 VAL CG2 C 21.1 0.2 2 1255 . 133 VAL N N 122.0 0.1 1 1256 . 134 LYS H H 7.86 0.02 1 1257 . 134 LYS HA H 4.15 0.02 1 1258 . 134 LYS HB2 H 2.03 0.02 1 1259 . 134 LYS HB3 H 2.03 0.02 1 1260 . 134 LYS C C 178.0 0.2 1 1261 . 134 LYS CA C 59.5 0.2 1 1262 . 134 LYS CB C 32.8 0.2 1 1263 . 134 LYS N N 120.9 0.1 1 1264 . 135 ALA H H 7.71 0.02 1 1265 . 135 ALA HA H 4.15 0.02 1 1266 . 135 ALA HB H 1.38 0.02 1 1267 . 135 ALA C C 181.0 0.2 1 1268 . 135 ALA CA C 55.1 0.2 1 1269 . 135 ALA CB C 18.0 0.2 1 1270 . 135 ALA N N 120.6 0.1 1 1271 . 136 SER H H 7.66 0.02 1 1272 . 136 SER HA H 4.29 0.02 1 1273 . 136 SER HB2 H 4.03 0.02 1 1274 . 136 SER HB3 H 4.03 0.02 1 1275 . 136 SER C C 177.3 0.2 1 1276 . 136 SER CA C 61.7 0.2 1 1277 . 136 SER CB C 63.0 0.2 1 1278 . 136 SER N N 114.0 0.1 1 1279 . 137 LYS H H 8.00 0.02 1 1280 . 137 LYS HA H 4.17 0.02 1 1281 . 137 LYS HB2 H 1.99 0.02 1 1282 . 137 LYS HB3 H 1.99 0.02 1 1283 . 137 LYS HG2 H 1.42 0.02 2 1284 . 137 LYS HG3 H 1.56 0.02 2 1285 . 137 LYS C C 179.7 0.2 1 1286 . 137 LYS CA C 59.4 0.2 1 1287 . 137 LYS CB C 32.6 0.2 1 1288 . 137 LYS CG C 24.8 0.2 1 1289 . 137 LYS N N 125.0 0.1 1 1290 . 138 GLU H H 8.52 0.02 1 1291 . 138 GLU HA H 4.09 0.02 1 1292 . 138 GLU HB2 H 2.06 0.02 1 1293 . 138 GLU HB3 H 2.06 0.02 1 1294 . 138 GLU HG2 H 2.48 0.02 2 1295 . 138 GLU HG3 H 2.25 0.02 2 1296 . 138 GLU C C 179.3 0.2 1 1297 . 138 GLU CA C 59.4 0.2 1 1298 . 138 GLU CB C 29.3 0.2 1 1299 . 138 GLU CG C 36.9 0.2 1 1300 . 138 GLU N N 120.1 0.1 1 1301 . 139 LEU H H 7.96 0.02 1 1302 . 139 LEU HA H 4.21 0.02 1 1303 . 139 LEU HB2 H 1.95 0.02 2 1304 . 139 LEU HB3 H 1.73 0.02 2 1305 . 139 LEU C C 178.4 0.2 1 1306 . 139 LEU CA C 58.2 0.2 1 1307 . 139 LEU CB C 41.4 0.2 1 1308 . 139 LEU N N 122.5 0.1 1 1309 . 140 GLY H H 7.80 0.02 1 1310 . 140 GLY HA2 H 3.73 0.02 2 1311 . 140 GLY HA3 H 4.00 0.02 2 1312 . 140 GLY C C 176.3 0.2 1 1313 . 140 GLY CA C 47.9 0.2 1 1314 . 140 GLY N N 105.1 0.1 1 1315 . 141 GLU H H 7.83 0.02 1 1316 . 141 GLU HA H 4.16 0.02 1 1317 . 141 GLU C C 178.1 0.2 1 1318 . 141 GLU CA C 59.7 0.2 1 1319 . 141 GLU CB C 29.4 0.2 1 1320 . 141 GLU N N 122.7 0.1 1 1321 . 142 THR H H 8.43 0.02 1 1322 . 142 THR HA H 3.84 0.02 1 1323 . 142 THR HB H 4.43 0.02 1 1324 . 142 THR HG2 H 1.15 0.02 1 1325 . 142 THR C C 177.6 0.2 1 1326 . 142 THR CA C 66.9 0.2 1 1327 . 142 THR CB C 68.7 0.2 1 1328 . 142 THR CG2 C 20.8 0.2 1 1329 . 142 THR N N 118.6 0.1 1 1330 . 143 LEU H H 8.32 0.02 1 1331 . 143 LEU HA H 3.80 0.02 1 1332 . 143 LEU HB2 H 1.76 0.02 1 1333 . 143 LEU HB3 H 1.76 0.02 1 1334 . 143 LEU HG H 1.67 0.02 1 1335 . 143 LEU HD1 H 0.20 0.02 2 1336 . 143 LEU HD2 H 0.01 0.02 2 1337 . 143 LEU C C 178.4 0.2 1 1338 . 143 LEU CA C 58.1 0.2 1 1339 . 143 LEU CB C 40.8 0.2 1 1340 . 143 LEU CG C 25.5 0.2 1 1341 . 143 LEU CD1 C 21.3 0.2 2 1342 . 143 LEU CD2 C 24.1 0.2 2 1343 . 143 LEU N N 121.1 0.1 . 1344 . 144 LEU H H 8.26 0.02 1 1345 . 144 LEU HA H 3.86 0.02 1 1346 . 144 LEU HB2 H 1.89 0.02 1 1347 . 144 LEU HB3 H 1.89 0.02 1 1348 . 144 LEU HG H 1.28 0.02 1 1349 . 144 LEU HD1 H 0.43 0.02 2 1350 . 144 LEU HD2 H 0.66 0.02 2 1351 . 144 LEU C C 178.8 0.2 1 1352 . 144 LEU CA C 58.2 0.2 1 1353 . 144 LEU CB C 40.8 0.2 1 1354 . 144 LEU CG C 25.5 0.2 1 1355 . 144 LEU CD1 C 22.7 0.2 2 1356 . 144 LEU CD2 C 26.3 0.2 2 1357 . 144 LEU N N 120.7 0.1 1 1358 . 145 ARG H H 8.60 0.02 1 1359 . 145 ARG HA H 4.15 0.02 1 1360 . 145 ARG HB2 H 2.05 0.02 1 1361 . 145 ARG HB3 H 2.05 0.02 1 1362 . 145 ARG C C 179.6 0.2 1 1363 . 145 ARG CA C 58.2 0.2 1 1364 . 145 ARG CB C 28.5 0.2 1 1365 . 145 ARG N N 116.7 0.1 1 1366 . 146 ALA H H 8.07 0.02 1 1367 . 146 ALA HA H 4.36 0.02 1 1368 . 146 ALA HB H 1.58 0.02 1 1369 . 146 ALA C C 181.1 0.2 1 1370 . 146 ALA CA C 55.1 0.2 1 1371 . 146 ALA CB C 18.5 0.2 1 1372 . 146 ALA N N 123.4 0.1 1 1373 . 147 VAL H H 8.46 0.02 1 1374 . 147 VAL HA H 3.65 0.02 1 1375 . 147 VAL HB H 2.44 0.02 1 1376 . 147 VAL HG1 H 1.27 0.02 2 1377 . 147 VAL HG2 H 0.88 0.02 2 1378 . 147 VAL C C 177.2 0.2 1 1379 . 147 VAL CA C 67.5 0.2 1 1380 . 147 VAL CB C 31.6 0.2 1 1381 . 147 VAL CG1 C 25.0 0.2 2 1382 . 147 VAL CG2 C 22.1 0.2 2 1383 . 147 VAL N N 120.9 0.1 1 1384 . 148 GLU H H 9.30 0.02 1 1385 . 148 GLU HA H 3.71 0.02 1 1386 . 148 GLU HB2 H 2.19 0.02 2 1387 . 148 GLU HB3 H 2.05 0.02 2 1388 . 148 GLU C C 177.5 0.2 1 1389 . 148 GLU CA C 61.0 0.2 1 1390 . 148 GLU CB C 31.4 0.2 1 1391 . 148 GLU N N 121.8 0.1 1 1392 . 149 SER H H 8.34 0.02 1 1393 . 149 SER HA H 4.17 0.02 1 1394 . 149 SER HB2 H 4.06 0.02 1 1395 . 149 SER HB3 H 4.06 0.02 1 1396 . 149 SER C C 177.3 0.2 1 1397 . 149 SER CA C 62.3 0.2 1 1398 . 149 SER CB C 62.3 0.2 1 1399 . 149 SER N N 113.0 0.1 1 1400 . 150 TYR H H 7.81 0.02 1 1401 . 150 TYR HA H 4.39 0.02 1 1402 . 150 TYR HB2 H 3.26 0.02 1 1403 . 150 TYR HB3 H 3.36 0.02 1 1404 . 150 TYR C C 178.4 0.2 1 1405 . 150 TYR CA C 62.3 0.2 1 1406 . 150 TYR CB C 38.8 0.2 1 1407 . 150 TYR N N 123.9 0.1 1 1408 . 151 LEU H H 8.86 0.02 1 1409 . 151 LEU HA H 4.03 0.02 1 1410 . 151 LEU HB2 H 2.03 0.02 2 1411 . 151 LEU HB3 H 1.39 0.02 2 1412 . 151 LEU HG H 2.16 0.02 1 1413 . 151 LEU HD1 H 0.96 0.02 2 1414 . 151 LEU HD2 H 0.73 0.02 2 1415 . 151 LEU C C 179.9 0.2 1 1416 . 151 LEU CA C 57.4 0.2 1 1417 . 151 LEU CB C 41.2 0.2 1 1418 . 151 LEU CG C 26.6 0.2 1 1419 . 151 LEU CD1 C 23.2 0.2 1 1420 . 151 LEU CD2 C 28.6 0.2 2 1421 . 151 LEU N N 121.2 0.1 1 1422 . 152 LEU H H 8.31 0.02 1 1423 . 152 LEU HA H 4.13 0.02 1 1424 . 152 LEU HB2 H 1.85 0.02 2 1425 . 152 LEU HB3 H 1.42 0.02 2 1426 . 152 LEU C C 178.5 0.2 1 1427 . 152 LEU CA C 57.1 0.2 1 1428 . 152 LEU CB C 41.9 0.2 1 1429 . 152 LEU N N 120.2 0.1 1 1430 . 153 ALA H H 7.32 0.02 1 1431 . 153 ALA HA H 4.20 0.02 1 1432 . 153 ALA HB H 1.23 0.02 1 1433 . 153 ALA C C 177.0 0.2 1 1434 . 153 ALA CA C 52.8 0.2 1 1435 . 153 ALA CB C 19.1 0.2 1 1436 . 153 ALA N N 120.1 0.1 1 1437 . 154 HIS H H 7.50 0.02 1 1438 . 154 HIS HA H 4.73 0.02 1 1439 . 154 HIS HB2 H 2.92 0.02 2 1440 . 154 HIS HB3 H 2.58 0.02 2 1441 . 154 HIS HD2 H 6.80 0.02 1 1442 . 154 HIS HE1 H 7.58 0.02 1 1443 . 154 HIS C C 175.2 0.2 1 1444 . 154 HIS CA C 54.1 0.2 1 1445 . 154 HIS CB C 27.5 0.2 1 1446 . 154 HIS N N 118.9 0.1 1 1447 . 155 SER H H 8.46 0.02 1 1448 . 155 SER HA H 4.19 0.02 1 1449 . 155 SER HB2 H 3.95 0.02 2 1450 . 155 SER HB3 H 3.89 0.02 2 1451 . 155 SER C C 174.0 0.2 1 1452 . 155 SER CA C 61.6 0.2 1 1453 . 155 SER CB C 63.1 0.2 1 1454 . 155 SER N N 118.5 0.1 1 1455 . 156 ASP H H 8.74 0.02 1 1456 . 156 ASP HA H 4.58 0.02 1 1457 . 156 ASP HB2 H 2.65 0.02 1 1458 . 156 ASP HB3 H 2.65 0.02 1 1459 . 156 ASP C C 176.2 0.2 1 1460 . 156 ASP CA C 53.8 0.2 1 1461 . 156 ASP CB C 40.4 0.2 1 1462 . 156 ASP N N 118.0 0.1 1 1463 . 157 ALA H H 7.51 0.02 1 1464 . 157 ALA HA H 4.20 0.02 1 1465 . 157 ALA HB H 1.44 0.02 1 1466 . 157 ALA C C 177.8 0.2 1 1467 . 157 ALA CA C 52.6 0.2 1 1468 . 157 ALA CB C 19.9 0.2 1 1469 . 157 ALA N N 124.7 0.1 1 1470 . 158 TYR H H 8.73 0.02 1 1471 . 158 TYR HA H 3.99 0.02 1 1472 . 158 TYR HB2 H 3.22 0.02 2 1473 . 158 TYR HB3 H 3.04 0.02 2 1474 . 158 TYR C C 173.3 0.2 1 1475 . 158 TYR CA C 60.2 0.2 1 1476 . 158 TYR CB C 34.9 0.2 1 1477 . 158 TYR N N 118.6 0.1 1 1478 . 159 ASN H H 7.66 0.02 1 1479 . 159 ASN HA H 4.65 0.02 1 1480 . 159 ASN HB2 H 2.80 0.02 2 1481 . 159 ASN HB3 H 2.50 0.02 2 1482 . 159 ASN CA C 54.4 0.2 1 1483 . 159 ASN CB C 40.5 0.2 1 stop_ save_