data_15193 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N NMR resonance assignments of Sec95Cys MsrB1 protein ; _BMRB_accession_number 15193 _BMRB_flat_file_name bmr15193.str _Entry_type original _Submission_date 2007-03-21 _Accession_date 2007-03-21 _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 Sal Lena S. . 2 Aachmann Finn L. . 3 Kim Hwa-Young . . 4 Gladyshev Vadim N. . 5 Dikiy Alexander . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 618 "13C chemical shifts" 436 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-16 update BMRB 'add related PDB ID' 2009-08-31 update BMRB 'added PubMed ID' 2009-07-14 update BMRB 'completed entry citation' 2008-03-12 update author 'update chemical shifts' 2007-08-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignments of 1H, 13C and 15N spectra of methionine sulfoxide reductase B1 from Mus musculus' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636847 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sal Lena S. . 2 Aachmann Finn L. . 3 Kim Hwa-Young . . 4 Gladyshev Vadim N. . 5 Dikiy Alexander . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 131 _Page_last 133 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MsrB1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MsrB1 $MsrB1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Methionine-R-sulfoxide reductases' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MsrB1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MsrB1 _Molecular_mass 13806.5 _Mol_thiol_state 'all free' loop_ _Biological_function 'Methionine-R-sulfoxide reductase' 'Sec95Cys mutant' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MSFCSFFGGEVFQNHFEPGV YVCAKCSYELFSSHSKYAHS SPWPAFTETIHPDSVTKCPE KNRPEALKVSCGKCGNGLGH EFLNDGPKRGQSRFCIFSSS LKFVPKGKEAAASQGHLEHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 PHE 4 CYS 5 SER 6 PHE 7 PHE 8 GLY 9 GLY 10 GLU 11 VAL 12 PHE 13 GLN 14 ASN 15 HIS 16 PHE 17 GLU 18 PRO 19 GLY 20 VAL 21 TYR 22 VAL 23 CYS 24 ALA 25 LYS 26 CYS 27 SER 28 TYR 29 GLU 30 LEU 31 PHE 32 SER 33 SER 34 HIS 35 SER 36 LYS 37 TYR 38 ALA 39 HIS 40 SER 41 SER 42 PRO 43 TRP 44 PRO 45 ALA 46 PHE 47 THR 48 GLU 49 THR 50 ILE 51 HIS 52 PRO 53 ASP 54 SER 55 VAL 56 THR 57 LYS 58 CYS 59 PRO 60 GLU 61 LYS 62 ASN 63 ARG 64 PRO 65 GLU 66 ALA 67 LEU 68 LYS 69 VAL 70 SER 71 CYS 72 GLY 73 LYS 74 CYS 75 GLY 76 ASN 77 GLY 78 LEU 79 GLY 80 HIS 81 GLU 82 PHE 83 LEU 84 ASN 85 ASP 86 GLY 87 PRO 88 LYS 89 ARG 90 GLY 91 GLN 92 SER 93 ARG 94 PHE 95 CYS 96 ILE 97 PHE 98 SER 99 SER 100 SER 101 LEU 102 LYS 103 PHE 104 VAL 105 PRO 106 LYS 107 GLY 108 LYS 109 GLU 110 ALA 111 ALA 112 ALA 113 SER 114 GLN 115 GLY 116 HIS 117 LEU 118 GLU 119 HIS 120 HIS 121 HIS 122 HIS 123 HIS 124 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2KV1 "Insights Into Function, Catalytic Mechanism And Fold Evolution Of Mouse Selenoprotein Methionine Sulfoxide Reductase B1 Through" 100.00 124 100.00 100.00 3.84e-84 DBJ BAC55245 "unnamed protein product [Mus musculus]" 93.55 116 99.14 99.14 8.32e-77 DBJ BAC55248 "unnamed protein product [Mus musculus]" 93.55 116 99.14 99.14 8.32e-77 DBJ BAC55249 "unnamed protein product [Mus musculus]" 93.55 116 99.14 99.14 8.32e-77 DBJ BAE43148 "unnamed protein product [Mus musculus]" 93.55 116 99.14 99.14 8.32e-77 GB AAF13697 "selenoprotein R [Mus musculus]" 93.55 116 99.14 99.14 8.32e-77 GB AAH90646 "Selenoprotein X 1 [Mus musculus]" 93.55 116 99.14 99.14 8.32e-77 GB AAI41147 "Selenoprotein X 1 [Mus musculus]" 93.55 116 98.28 98.28 6.84e-76 GB EDL22365 "selenoprotein X 1, isoform CRA_a [Mus musculus]" 75.81 94 100.00 100.00 3.94e-62 GB EDL22366 "selenoprotein X 1, isoform CRA_a [Mus musculus]" 75.81 94 100.00 100.00 3.94e-62 REF NP_038787 "methionine-R-sulfoxide reductase B1 [Mus musculus]" 93.55 116 99.14 99.14 8.32e-77 SP Q9JLC3 "RecName: Full=Methionine-R-sulfoxide reductase B1; Short=MsrB1; AltName: Full=Selenoprotein R; Short=SelR; AltName: Full=Seleno" 93.55 116 99.14 99.14 8.32e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Variant _Gene_mnemonic $MsrB1 Mouse 10090 Eukaryota Metazoa Mus musculus C57BL/6 '17 10.0 cM' Sepx1 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 $MsrB1 'recombinant technology' . Escherichia coli 'ER 2566' pMR1-SECIS4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_H20 _Saveframe_category sample _Sample_type solution _Details 'U-98% 13C; U-99% 15N' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MsrB1 . mM 1.0 1.6 '[U-98% 13C; U-99% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' stop_ save_ save_D2O _Saveframe_category sample _Sample_type solution _Details '13C/15N label' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MsrB1 . mM 1.0 1.6 '[U-98% 13C; U-99% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' DTT 5 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $H20 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $H20 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $H20 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $H20 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $H20 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $H20 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $H20 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $H20 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $H20 save_ save_3D_HBHANH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $H20 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $D2O save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $D2O save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $H20 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' 0.06 0.5 M pH 5.5 0.1 pH pressure 1 . atm temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 water H 1 protons ppm 4.75 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $H20 $D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MsrB1 _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 3 3 PHE HA H 4.65 0.02 1 2 3 3 PHE HB2 H 3.10 0.02 2 3 3 3 PHE HB3 H 3.06 0.02 2 4 3 3 PHE C C 174.5 0.3 1 5 3 3 PHE CA C 57.8 0.3 1 6 3 3 PHE CB C 39.6 0.3 1 7 4 4 CYS H H 8.27 0.02 1 8 4 4 CYS HA H 4.38 0.02 1 9 4 4 CYS HB2 H 2.73 0.02 2 10 4 4 CYS HB3 H 2.71 0.02 2 11 4 4 CYS C C 173.8 0.3 1 12 4 4 CYS CA C 58.1 0.3 1 13 4 4 CYS CB C 28.1 0.3 1 14 4 4 CYS N N 122.6 0.3 1 15 5 5 SER H H 8.25 0.02 1 16 5 5 SER HA H 4.27 0.02 1 17 5 5 SER HB2 H 3.72 0.02 2 18 5 5 SER HB3 H 3.67 0.02 2 19 5 5 SER C C 173.7 0.3 1 20 5 5 SER CA C 58.3 0.3 1 21 5 5 SER CB C 63.7 0.3 1 22 5 5 SER N N 119.6 0.3 1 23 6 6 PHE H H 8.01 0.02 1 24 6 6 PHE HA H 4.56 0.02 1 25 6 6 PHE HB2 H 2.94 0.02 2 26 6 6 PHE HB3 H 2.91 0.02 2 27 6 6 PHE HZ H 7.20 0.02 1 28 6 6 PHE C C 173.7 0.3 1 29 6 6 PHE CA C 57.6 0.3 1 30 6 6 PHE CB C 39.7 0.3 1 31 6 6 PHE N N 122.5 0.3 1 32 7 7 PHE H H 8.23 0.02 1 33 7 7 PHE HA H 4.53 0.02 1 34 7 7 PHE HB2 H 3.04 0.02 2 35 7 7 PHE HB3 H 2.89 0.02 2 36 7 7 PHE C C 175.8 0.3 1 37 7 7 PHE CA C 57.6 0.3 1 38 7 7 PHE CB C 39.7 0.3 1 39 7 7 PHE N N 123.0 0.3 1 40 8 8 GLY H H 7.87 0.02 1 41 8 8 GLY HA2 H 3.80 0.02 2 42 8 8 GLY HA3 H 3.75 0.02 2 43 8 8 GLY C C 174.3 0.3 1 44 8 8 GLY CA C 45.3 0.3 1 45 8 8 GLY N N 111.2 0.3 1 46 9 9 GLY H H 7.93 0.02 1 47 9 9 GLY HA2 H 3.92 0.02 2 48 9 9 GLY HA3 H 3.85 0.02 2 49 9 9 GLY C C 175.2 0.3 1 50 9 9 GLY CA C 45.1 0.3 1 51 9 9 GLY N N 108.4 0.3 1 52 10 10 GLU H H 8.40 0.02 1 53 10 10 GLU HA H 4.36 0.02 1 54 10 10 GLU HB2 H 2.17 0.02 2 55 10 10 GLU HB3 H 2.03 0.02 2 56 10 10 GLU HG2 H 2.36 0.02 2 57 10 10 GLU HG3 H 2.33 0.02 2 58 10 10 GLU C C 178.4 0.3 1 59 10 10 GLU CA C 54.7 0.3 1 60 10 10 GLU CB C 36.7 0.3 1 61 10 10 GLU CG C 37.1 0.3 1 62 10 10 GLU N N 122.6 0.3 1 63 11 11 VAL H H 7.94 0.02 1 64 11 11 VAL HA H 3.68 0.02 1 65 11 11 VAL HB H 1.70 0.02 1 66 11 11 VAL HG1 H 0.22 0.02 1 67 11 11 VAL HG2 H 0.41 0.02 1 68 11 11 VAL C C 176.6 0.3 1 69 11 11 VAL CA C 63.8 0.3 1 70 11 11 VAL CB C 31.2 0.3 1 71 11 11 VAL CG1 C 19.0 0.3 1 72 11 11 VAL CG2 C 20.3 0.3 1 73 11 11 VAL N N 120.3 0.3 1 74 12 12 PHE H H 7.73 0.02 1 75 12 12 PHE HA H 5.20 0.02 1 76 12 12 PHE HB2 H 3.37 0.02 2 77 12 12 PHE HB3 H 2.73 0.02 2 78 12 12 PHE HZ H 7.09 0.02 1 79 12 12 PHE C C 177.1 0.3 1 80 12 12 PHE CA C 55.7 0.3 1 81 12 12 PHE CB C 38.2 0.3 1 82 12 12 PHE N N 113.7 0.3 1 83 13 13 GLN H H 8.08 0.02 1 84 13 13 GLN HA H 3.27 0.02 1 85 13 13 GLN HB2 H 2.26 0.02 2 86 13 13 GLN HB3 H 2.00 0.02 2 87 13 13 GLN HE21 H 6.49 0.02 1 88 13 13 GLN HE22 H 7.21 0.02 1 89 13 13 GLN HG2 H 2.12 0.02 2 90 13 13 GLN HG3 H 2.05 0.02 2 91 13 13 GLN C C 175.4 0.3 1 92 13 13 GLN CA C 62.1 0.3 1 93 13 13 GLN CB C 27.1 0.3 1 94 13 13 GLN CG C 31.1 0.3 1 95 13 13 GLN N N 126.4 0.3 1 96 14 14 ASN H H 8.58 0.02 1 97 14 14 ASN HA H 5.01 0.02 1 98 14 14 ASN HB2 H 2.95 0.02 2 99 14 14 ASN HB3 H 2.63 0.02 2 100 14 14 ASN HD21 H 7.51 0.02 1 101 14 14 ASN HD22 H 6.71 0.02 1 102 14 14 ASN C C 173.0 0.3 1 103 14 14 ASN CA C 51.5 0.3 1 104 14 14 ASN CB C 37.9 0.3 1 105 14 14 ASN N N 115.9 0.3 1 106 14 14 ASN ND2 N 112.7 0.3 1 107 15 15 HIS H H 6.07 0.02 1 108 15 15 HIS HA H 4.37 0.02 1 109 15 15 HIS HB2 H 3.21 0.02 2 110 15 15 HIS HB3 H 2.97 0.02 2 111 15 15 HIS HD2 H 6.91 0.02 1 112 15 15 HIS HE1 H 8.09 0.02 1 113 15 15 HIS C C 174.4 0.3 1 114 15 15 HIS CA C 56.6 0.3 1 115 15 15 HIS CB C 33.4 0.3 1 116 15 15 HIS N N 120.5 0.3 1 117 16 16 PHE H H 8.88 0.02 1 118 16 16 PHE HA H 4.87 0.02 1 119 16 16 PHE HB2 H 3.30 0.02 2 120 16 16 PHE HB3 H 2.44 0.02 2 121 16 16 PHE C C 174.3 0.3 1 122 16 16 PHE CA C 57.1 0.3 1 123 16 16 PHE CB C 39.7 0.3 1 124 16 16 PHE N N 127.2 0.3 1 125 17 17 GLU H H 5.78 0.02 1 126 17 17 GLU HA H 4.50 0.02 1 127 17 17 GLU HB2 H 2.07 0.02 2 128 17 17 GLU HB3 H 1.20 0.02 2 129 17 17 GLU HG2 H 2.09 0.02 2 130 17 17 GLU HG3 H 1.83 0.02 2 131 17 17 GLU C C 174.3 0.3 1 132 17 17 GLU CA C 53.5 0.3 1 133 17 17 GLU CB C 30.7 0.3 1 134 17 17 GLU CG C 35.4 0.3 1 135 17 17 GLU N N 119.9 0.3 1 136 18 18 PRO HA H 4.63 0.02 1 137 18 18 PRO HB2 H 2.29 0.02 2 138 18 18 PRO HB3 H 1.94 0.02 2 139 18 18 PRO HD2 H 3.83 0.02 2 140 18 18 PRO HD3 H 3.78 0.02 2 141 18 18 PRO HG2 H 2.06 0.02 2 142 18 18 PRO HG3 H 1.85 0.02 2 143 18 18 PRO C C 178.1 0.3 1 144 18 18 PRO CA C 62.7 0.3 1 145 18 18 PRO CB C 31.4 0.3 1 146 18 18 PRO CD C 50.7 0.3 1 147 18 18 PRO CG C 27.3 0.3 1 148 19 19 GLY H H 8.82 0.02 1 149 19 19 GLY HA2 H 4.50 0.02 2 150 19 19 GLY HA3 H 3.63 0.02 2 151 19 19 GLY C C 171.0 0.3 1 152 19 19 GLY CA C 46.2 0.3 1 153 19 19 GLY N N 111.3 0.3 1 154 20 20 VAL H H 8.07 0.02 1 155 20 20 VAL HA H 4.75 0.02 1 156 20 20 VAL HB H 1.72 0.02 1 157 20 20 VAL HG1 H 0.72 0.02 1 158 20 20 VAL HG2 H 0.71 0.02 1 159 20 20 VAL C C 172.3 0.3 1 160 20 20 VAL CA C 60.2 0.3 1 161 20 20 VAL CB C 36.1 0.3 1 162 20 20 VAL CG1 C 21.3 0.3 1 163 20 20 VAL CG2 C 21.2 0.3 1 164 20 20 VAL N N 120.7 0.3 1 165 21 21 TYR H H 9.56 0.02 1 166 21 21 TYR HA H 5.23 0.02 1 167 21 21 TYR HB2 H 2.90 0.02 2 168 21 21 TYR HB3 H 2.83 0.02 2 169 21 21 TYR C C 175.6 0.3 1 170 21 21 TYR CA C 56.8 0.3 1 171 21 21 TYR CB C 39.2 0.3 1 172 21 21 TYR N N 123.2 0.3 1 173 22 22 VAL H H 9.40 0.02 1 174 22 22 VAL HA H 4.95 0.02 1 175 22 22 VAL HB H 1.86 0.02 1 176 22 22 VAL HG1 H 0.67 0.02 1 177 22 22 VAL HG2 H 0.61 0.02 1 178 22 22 VAL C C 174.0 0.3 1 179 22 22 VAL CA C 57.1 0.3 1 180 22 22 VAL CB C 33.9 0.3 1 181 22 22 VAL CG1 C 21.9 0.3 1 182 22 22 VAL CG2 C 18.9 0.3 1 183 22 22 VAL N N 119.1 0.3 1 184 23 23 CYS H H 9.02 0.02 1 185 23 23 CYS HA H 4.26 0.02 1 186 23 23 CYS HB2 H 3.29 0.02 2 187 23 23 CYS HB3 H 3.27 0.02 2 188 23 23 CYS C C 178.7 0.3 1 189 23 23 CYS CA C 60.6 0.3 1 190 23 23 CYS CB C 31.7 0.3 1 191 23 23 CYS N N 123.8 0.3 1 192 24 24 ALA H H 8.76 0.02 1 193 24 24 ALA HA H 3.84 0.02 1 194 24 24 ALA HB H 1.30 0.02 1 195 24 24 ALA C C 177.5 0.3 1 196 24 24 ALA CA C 55.0 0.3 1 197 24 24 ALA CB C 18.7 0.3 1 198 24 24 ALA N N 131.9 0.3 1 199 25 25 LYS H H 9.20 0.02 1 200 25 25 LYS HA H 4.38 0.02 1 201 25 25 LYS HB2 H 2.05 0.02 2 202 25 25 LYS HB3 H 1.87 0.02 2 203 25 25 LYS HD2 H 1.74 0.02 2 204 25 25 LYS HD3 H 1.54 0.02 2 205 25 25 LYS HE2 H 2.93 0.02 1 206 25 25 LYS HG2 H 1.33 0.02 2 207 25 25 LYS HG3 H 1.33 0.02 2 208 25 25 LYS C C 178.1 0.3 1 209 25 25 LYS CA C 57.9 0.3 1 210 25 25 LYS CB C 33.5 0.3 1 211 25 25 LYS CD C 30.8 0.3 1 212 25 25 LYS CE C 41.9 0.3 1 213 25 25 LYS CG C 25.5 0.3 1 214 25 25 LYS N N 120.0 0.3 1 215 26 26 CYS H H 8.73 0.02 1 216 26 26 CYS HA H 5.00 0.02 1 217 26 26 CYS HB2 H 3.22 0.02 2 218 26 26 CYS HB3 H 2.46 0.02 2 219 26 26 CYS C C 177.0 0.3 1 220 26 26 CYS CA C 59.4 0.3 1 221 26 26 CYS CB C 32.9 0.3 1 222 26 26 CYS N N 120.9 0.3 1 223 27 27 SER H H 8.17 0.02 1 224 27 27 SER HA H 4.14 0.02 1 225 27 27 SER HB2 H 4.16 0.02 2 226 27 27 SER HB3 H 3.99 0.02 2 227 27 27 SER C C 174.8 0.3 1 228 27 27 SER CA C 60.9 0.3 1 229 27 27 SER CB C 61.6 0.3 1 230 27 27 SER N N 115.8 0.3 1 231 28 28 TYR H H 9.01 0.02 1 232 28 28 TYR HA H 4.42 0.02 1 233 28 28 TYR HB2 H 3.44 0.02 2 234 28 28 TYR HB3 H 2.71 0.02 2 235 28 28 TYR C C 176.6 0.3 1 236 28 28 TYR CA C 59.3 0.3 1 237 28 28 TYR CB C 39.6 0.3 1 238 28 28 TYR N N 127.1 0.3 1 239 29 29 GLU H H 7.73 0.02 1 240 29 29 GLU HA H 3.67 0.02 1 241 29 29 GLU HB2 H 1.63 0.02 2 242 29 29 GLU HB3 H 1.47 0.02 2 243 29 29 GLU HG2 H 2.23 0.02 2 244 29 29 GLU HG3 H 2.01 0.02 2 245 29 29 GLU C C 174.9 0.3 1 246 29 29 GLU CA C 58.7 0.3 1 247 29 29 GLU CB C 29.8 0.3 1 248 29 29 GLU CG C 35.9 0.3 1 249 29 29 GLU N N 124.5 0.3 1 250 30 30 LEU H H 7.94 0.02 1 251 30 30 LEU HA H 4.14 0.02 1 252 30 30 LEU HB2 H 1.44 0.02 2 253 30 30 LEU HB3 H 1.40 0.02 2 254 30 30 LEU HD1 H 0.74 0.02 1 255 30 30 LEU HD2 H 0.65 0.02 1 256 30 30 LEU C C 175.4 0.3 1 257 30 30 LEU CA C 56.2 0.3 1 258 30 30 LEU CB C 46.7 0.3 1 259 30 30 LEU N N 121.8 0.3 1 260 31 31 PHE H H 7.88 0.02 1 261 31 31 PHE HA H 4.72 0.02 1 262 31 31 PHE HB2 H 2.34 0.02 2 263 31 31 PHE HB3 H 1.70 0.02 2 264 31 31 PHE C C 174.6 0.3 1 265 31 31 PHE CA C 56.6 0.3 1 266 31 31 PHE CB C 45.3 0.3 1 267 31 31 PHE N N 113.3 0.3 1 268 32 32 SER H H 10.03 0.02 1 269 32 32 SER HA H 4.86 0.02 1 270 32 32 SER HB2 H 4.00 0.02 2 271 32 32 SER HB3 H 3.78 0.02 2 272 32 32 SER CA C 57.0 0.3 1 273 32 32 SER CB C 63.7 0.3 1 274 32 32 SER N N 118.7 0.3 1 275 33 33 SER H H 8.99 0.02 1 276 33 33 SER HA H 4.84 0.02 1 277 33 33 SER HB2 H 3.85 0.02 2 278 33 33 SER HB3 H 3.82 0.02 2 279 33 33 SER C C 177.3 0.3 1 280 33 33 SER CA C 63.7 0.3 1 281 33 33 SER CB C 63.7 0.3 1 282 33 33 SER N N 123.1 0.3 1 283 34 34 HIS HA H 4.71 0.02 1 284 34 34 HIS HB2 H 3.36 0.02 2 285 34 34 HIS HB3 H 3.33 0.02 2 286 34 34 HIS C C 175.8 0.3 1 287 34 34 HIS CA C 57.9 0.3 1 288 34 34 HIS CB C 28.6 0.3 1 289 35 35 SER H H 7.96 0.02 1 290 35 35 SER HA H 4.82 0.02 1 291 35 35 SER HB2 H 4.47 0.02 2 292 35 35 SER HB3 H 4.35 0.02 2 293 35 35 SER C C 173.2 0.3 1 294 35 35 SER CA C 58.1 0.3 1 295 35 35 SER CB C 65.3 0.3 1 296 35 35 SER N N 114.5 0.3 1 297 36 36 LYS H H 7.63 0.02 1 298 36 36 LYS HA H 4.89 0.02 1 299 36 36 LYS HB2 H 2.27 0.02 2 300 36 36 LYS HB3 H 1.59 0.02 2 301 36 36 LYS HD2 H 1.65 0.02 1 302 36 36 LYS HE2 H 3.04 0.02 1 303 36 36 LYS HG2 H 1.21 0.02 1 304 36 36 LYS C C 176.1 0.3 1 305 36 36 LYS CA C 55.4 0.3 1 306 36 36 LYS CB C 35.4 0.3 1 307 36 36 LYS CD C 27.1 0.3 1 308 36 36 LYS CE C 43.0 0.3 1 309 36 36 LYS CG C 26.4 0.3 1 310 36 36 LYS N N 126.9 0.3 1 311 37 37 TYR H H 8.44 0.02 1 312 37 37 TYR HA H 5.10 0.02 1 313 37 37 TYR HB2 H 2.92 0.02 2 314 37 37 TYR HB3 H 2.96 0.02 2 315 37 37 TYR C C 172.8 0.3 1 316 37 37 TYR CA C 55.4 0.3 1 317 37 37 TYR CB C 41.0 0.3 1 318 37 37 TYR N N 124.2 0.3 1 319 38 38 ALA H H 8.59 0.02 1 320 38 38 ALA HA H 4.63 0.02 1 321 38 38 ALA HB H 1.18 0.02 1 322 38 38 ALA C C 175.9 0.3 1 323 38 38 ALA CA C 52.5 0.3 1 324 38 38 ALA CB C 18.3 0.3 1 325 38 38 ALA N N 125.1 0.3 1 326 39 39 HIS H H 8.08 0.02 1 327 39 39 HIS HA H 4.62 0.02 1 328 39 39 HIS HB2 H 3.24 0.02 2 329 39 39 HIS HB3 H 2.46 0.02 2 330 39 39 HIS HD2 H 7.04 0.02 1 331 39 39 HIS HE1 H 7.94 0.02 1 332 39 39 HIS C C 174.1 0.3 1 333 39 39 HIS CA C 57.0 0.3 1 334 39 39 HIS CB C 34.6 0.3 1 335 39 39 HIS N N 125.6 0.3 1 336 40 40 SER H H 6.86 0.02 1 337 40 40 SER HA H 4.06 0.02 1 338 40 40 SER HB2 H 3.68 0.02 2 339 40 40 SER HB3 H 3.57 0.02 2 340 40 40 SER C C 174.9 0.3 1 341 40 40 SER CA C 58.8 0.3 1 342 40 40 SER CB C 62.7 0.3 1 343 40 40 SER N N 118.7 0.3 1 344 41 41 SER H H 9.14 0.02 1 345 41 41 SER HA H 4.48 0.02 1 346 41 41 SER HB2 H 3.82 0.02 2 347 41 41 SER HB3 H 3.71 0.02 2 348 41 41 SER C C 173.6 0.3 1 349 41 41 SER CA C 57.8 0.3 1 350 41 41 SER CB C 63.6 0.3 1 351 41 41 SER N N 122.5 0.3 1 352 42 42 PRO HA H 4.04 0.02 1 353 42 42 PRO HB2 H 1.57 0.02 2 354 42 42 PRO HB3 H 0.39 0.02 2 355 42 42 PRO HD2 H 2.99 0.02 2 356 42 42 PRO HD3 H 3.38 0.02 2 357 42 42 PRO HG2 H 1.20 0.02 2 358 42 42 PRO HG3 H 1.23 0.02 2 359 42 42 PRO C C 174.9 0.3 1 360 42 42 PRO CA C 63.7 0.3 1 361 42 42 PRO CB C 31.5 0.3 1 362 42 42 PRO CD C 51.0 0.3 1 363 42 42 PRO CG C 26.4 0.3 1 364 43 43 TRP H H 6.59 0.02 1 365 43 43 TRP HA H 4.85 0.02 1 366 43 43 TRP HB2 H 3.38 0.02 2 367 43 43 TRP HB3 H 2.94 0.02 2 368 43 43 TRP HD1 H 7.54 0.02 1 369 43 43 TRP HE1 H 10.19 0.02 1 370 43 43 TRP HE3 H 7.41 0.02 1 371 43 43 TRP HH2 H 7.20 0.02 1 372 43 43 TRP HZ2 H 7.50 0.02 1 373 43 43 TRP HZ3 H 7.06 0.02 1 374 43 43 TRP C C 174.1 0.3 1 375 43 43 TRP CA C 57.3 0.3 1 376 43 43 TRP CB C 29.5 0.3 1 377 43 43 TRP N N 113.9 0.3 1 378 43 43 TRP NE1 N 130.6 0.3 1 379 44 44 PRO HA H 3.81 0.02 1 380 44 44 PRO HB2 H 1.70 0.02 2 381 44 44 PRO HB3 H 1.46 0.02 2 382 44 44 PRO HD2 H 3.95 0.02 2 383 44 44 PRO HD3 H 3.29 0.02 2 384 44 44 PRO HG2 H 2.11 0.02 1 385 44 44 PRO C C 174.8 0.3 1 386 44 44 PRO CA C 63.2 0.3 1 387 44 44 PRO CB C 32.2 0.3 1 388 44 44 PRO CD C 51.0 0.3 1 389 44 44 PRO CG C 28.2 0.3 1 390 45 45 ALA H H 7.85 0.02 1 391 45 45 ALA HA H 5.26 0.02 1 392 45 45 ALA HB H 0.69 0.02 1 393 45 45 ALA C C 174.8 0.3 1 394 45 45 ALA CA C 50.1 0.3 1 395 45 45 ALA CB C 20.8 0.3 1 396 45 45 ALA N N 126.7 0.3 1 397 46 46 PHE H H 8.08 0.02 1 398 46 46 PHE HA H 5.86 0.02 1 399 46 46 PHE HB2 H 3.16 0.02 2 400 46 46 PHE HB3 H 2.12 0.02 2 401 46 46 PHE HZ H 7.21 0.02 1 402 46 46 PHE C C 177.8 0.3 1 403 46 46 PHE CA C 54.8 0.3 1 404 46 46 PHE CB C 44.5 0.3 1 405 46 46 PHE N N 115.6 0.3 1 406 47 47 THR H H 9.19 0.02 1 407 47 47 THR HA H 5.22 0.02 1 408 47 47 THR HB H 4.51 0.02 1 409 47 47 THR HG2 H 1.26 0.02 1 410 47 47 THR C C 175.0 0.3 1 411 47 47 THR CA C 63.0 0.3 1 412 47 47 THR CB C 70.5 0.3 1 413 47 47 THR CG2 C 24.3 0.3 1 414 47 47 THR N N 109.9 0.3 1 415 48 48 GLU H H 7.32 0.02 1 416 48 48 GLU HA H 4.92 0.02 1 417 48 48 GLU HB2 H 2.41 0.02 2 418 48 48 GLU HB3 H 2.03 0.02 2 419 48 48 GLU HG2 H 2.25 0.02 2 420 48 48 GLU HG3 H 2.11 0.02 2 421 48 48 GLU C C 175.4 0.3 1 422 48 48 GLU CA C 55.2 0.3 1 423 48 48 GLU CB C 31.9 0.3 1 424 48 48 GLU CG C 34.5 0.3 1 425 48 48 GLU N N 115.4 0.3 1 426 49 49 THR H H 8.15 0.02 1 427 49 49 THR HA H 4.09 0.02 1 428 49 49 THR HB H 4.10 0.02 1 429 49 49 THR HG2 H 0.35 0.02 1 430 49 49 THR C C 175.8 0.3 1 431 49 49 THR CA C 60.0 0.3 1 432 49 49 THR CB C 70.4 0.3 1 433 49 49 THR CG2 C 22.8 0.3 1 434 49 49 THR N N 111.4 0.3 1 435 50 50 ILE H H 7.72 0.02 1 436 50 50 ILE HA H 3.63 0.02 1 437 50 50 ILE HB H 0.91 0.02 1 438 50 50 ILE HD1 H -0.03 0.02 1 439 50 50 ILE HG12 H 1.28 0.02 2 440 50 50 ILE HG13 H 1.27 0.02 2 441 50 50 ILE HG2 H 0.51 0.02 1 442 50 50 ILE C C 174.5 0.3 1 443 50 50 ILE CA C 64.1 0.3 1 444 50 50 ILE CB C 38.7 0.3 1 445 50 50 ILE CD1 C 16.3 0.3 1 446 50 50 ILE CG1 C 29.7 0.3 1 447 50 50 ILE CG2 C 14.7 0.3 1 448 50 50 ILE N N 121.7 0.3 1 449 51 51 HIS H H 7.40 0.02 1 450 51 51 HIS HA H 5.30 0.02 1 451 51 51 HIS HB2 H 3.22 0.02 2 452 51 51 HIS HB3 H 3.13 0.02 2 453 51 51 HIS HD2 H 7.01 0.02 1 454 51 51 HIS C C 175.5 0.3 1 455 51 51 HIS CA C 51.8 0.3 1 456 51 51 HIS CB C 29.7 0.3 1 457 51 51 HIS N N 115.5 0.3 1 458 52 52 PRO HA H 4.35 0.02 1 459 52 52 PRO HB2 H 2.42 0.02 2 460 52 52 PRO HB3 H 1.97 0.02 2 461 52 52 PRO HD2 H 3.76 0.02 2 462 52 52 PRO HD3 H 3.46 0.02 2 463 52 52 PRO HG2 H 2.31 0.02 2 464 52 52 PRO HG3 H 1.93 0.02 2 465 52 52 PRO C C 176.9 0.3 1 466 52 52 PRO CA C 64.8 0.3 1 467 52 52 PRO CB C 31.3 0.3 1 468 52 52 PRO CD C 50.0 0.3 1 469 52 52 PRO CG C 27.4 0.3 1 470 53 53 ASP H H 8.07 0.02 1 471 53 53 ASP HA H 4.76 0.02 1 472 53 53 ASP HB2 H 2.97 0.02 2 473 53 53 ASP HB3 H 2.51 0.02 2 474 53 53 ASP C C 176.9 0.3 1 475 53 53 ASP CA C 52.1 0.3 1 476 53 53 ASP CB C 39.7 0.3 1 477 53 53 ASP N N 114.3 0.3 1 478 54 54 SER H H 7.72 0.02 1 479 54 54 SER HA H 4.04 0.02 1 480 54 54 SER HB2 H 3.57 0.02 2 481 54 54 SER HB3 H 3.61 0.02 2 482 54 54 SER C C 173.2 0.3 1 483 54 54 SER CA C 64.1 0.3 1 484 54 54 SER CB C 64.2 0.3 1 485 54 54 SER N N 116.3 0.3 1 486 55 55 VAL H H 7.36 0.02 1 487 55 55 VAL HA H 5.28 0.02 1 488 55 55 VAL HB H 2.30 0.02 1 489 55 55 VAL HG1 H 0.70 0.02 1 490 55 55 VAL HG2 H 0.46 0.02 1 491 55 55 VAL C C 175.7 0.3 1 492 55 55 VAL CA C 57.3 0.3 1 493 55 55 VAL CB C 34.8 0.3 1 494 55 55 VAL CG1 C 19.0 0.3 1 495 55 55 VAL CG2 C 22.3 0.3 1 496 55 55 VAL N N 105.2 0.3 1 497 56 56 THR H H 8.78 0.02 1 498 56 56 THR HA H 4.53 0.02 1 499 56 56 THR HB H 3.99 0.02 1 500 56 56 THR HG2 H 1.11 0.02 1 501 56 56 THR C C 173.8 0.3 1 502 56 56 THR CA C 60.5 0.3 1 503 56 56 THR CB C 70.4 0.3 1 504 56 56 THR CG2 C 21.9 0.3 1 505 56 56 THR N N 116.0 0.3 1 506 57 57 LYS H H 8.61 0.02 1 507 57 57 LYS HA H 5.49 0.02 1 508 57 57 LYS HB2 H 1.73 0.02 2 509 57 57 LYS HB3 H 1.61 0.02 2 510 57 57 LYS HD2 H 1.46 0.02 1 511 57 57 LYS HE2 H 2.91 0.02 1 512 57 57 LYS HG2 H 1.19 0.02 2 513 57 57 LYS HG3 H 1.33 0.02 2 514 57 57 LYS C C 176.0 0.3 1 515 57 57 LYS CA C 54.6 0.3 1 516 57 57 LYS CB C 36.0 0.3 1 517 57 57 LYS CD C 28.0 0.3 1 518 57 57 LYS CE C 41.8 0.3 1 519 57 57 LYS CG C 25.5 0.3 1 520 57 57 LYS N N 121.9 0.3 1 521 58 58 CYS H H 8.61 0.02 1 522 58 58 CYS HA H 5.10 0.02 1 523 58 58 CYS HB2 H 2.87 0.02 2 524 58 58 CYS HB3 H 2.80 0.02 2 525 58 58 CYS CA C 55.2 0.3 1 526 58 58 CYS CB C 29.7 0.3 1 527 58 58 CYS N N 120.6 0.3 1 528 59 59 PRO HA H 4.59 0.02 1 529 59 59 PRO HB2 H 2.32 0.02 2 530 59 59 PRO HB3 H 1.84 0.02 2 531 59 59 PRO HD2 H 3.83 0.02 2 532 59 59 PRO HD3 H 3.81 0.02 2 533 59 59 PRO HG2 H 2.07 0.02 2 534 59 59 PRO HG3 H 1.95 0.02 2 535 59 59 PRO C C 176.6 0.3 1 536 59 59 PRO CA C 63.7 0.3 1 537 59 59 PRO CB C 32.1 0.3 1 538 59 59 PRO CD C 51.3 0.3 1 539 59 59 PRO CG C 27.4 0.3 1 540 60 60 GLU H H 8.63 0.02 1 541 60 60 GLU HA H 4.45 0.02 1 542 60 60 GLU HB2 H 2.16 0.02 2 543 60 60 GLU HB3 H 2.07 0.02 2 544 60 60 GLU HG2 H 2.37 0.02 2 545 60 60 GLU HG3 H 2.35 0.02 2 546 60 60 GLU C C 176.9 0.3 1 547 60 60 GLU CA C 55.7 0.3 1 548 60 60 GLU CB C 30.5 0.3 1 549 60 60 GLU CG C 36.1 0.3 1 550 60 60 GLU N N 123.9 0.3 1 551 61 61 LYS H H 8.78 0.02 1 552 61 61 LYS HA H 3.93 0.02 1 553 61 61 LYS HB2 H 1.79 0.02 2 554 61 61 LYS HB3 H 1.75 0.02 2 555 61 61 LYS HD2 H 1.70 0.02 2 556 61 61 LYS HD3 H 1.66 0.02 2 557 61 61 LYS HE2 H 2.95 0.02 1 558 61 61 LYS HG2 H 1.44 0.02 2 559 61 61 LYS HG3 H 1.38 0.02 2 560 61 61 LYS C C 177.1 0.3 1 561 61 61 LYS CA C 58.3 0.3 1 562 61 61 LYS CB C 31.9 0.3 1 563 61 61 LYS CD C 31.0 0.3 1 564 61 61 LYS CE C 43.9 0.3 1 565 61 61 LYS CG C 27.0 0.3 1 566 61 61 LYS N N 127.0 0.3 1 567 62 62 ASN H H 8.87 0.02 1 568 62 62 ASN HA H 4.52 0.02 1 569 62 62 ASN HB2 H 3.00 0.02 2 570 62 62 ASN HB3 H 2.94 0.02 2 571 62 62 ASN HD21 H 6.94 0.02 1 572 62 62 ASN HD22 H 7.60 0.02 1 573 62 62 ASN C C 174.4 0.3 1 574 62 62 ASN CA C 54.0 0.3 1 575 62 62 ASN CB C 38.0 0.3 1 576 62 62 ASN N N 117.0 0.3 1 577 63 63 ARG H H 7.43 0.02 1 578 63 63 ARG HA H 4.81 0.02 1 579 63 63 ARG HB2 H 1.79 0.02 2 580 63 63 ARG HB3 H 1.57 0.02 2 581 63 63 ARG HD2 H 3.09 0.02 2 582 63 63 ARG HD3 H 3.02 0.02 2 583 63 63 ARG HE H 7.23 0.02 1 584 63 63 ARG HG2 H 1.61 0.02 2 585 63 63 ARG HG3 H 1.52 0.02 2 586 63 63 ARG C C 172.3 0.3 1 587 63 63 ARG CA C 53.8 0.3 1 588 63 63 ARG CB C 31.3 0.3 1 589 63 63 ARG CD C 44.0 0.3 1 590 63 63 ARG CG C 26.5 0.3 1 591 63 63 ARG N N 119.2 0.3 1 592 63 63 ARG NE N 85.5 0.3 1 593 64 64 PRO HA H 4.35 0.02 1 594 64 64 PRO HB2 H 2.31 0.02 2 595 64 64 PRO HB3 H 1.92 0.02 2 596 64 64 PRO HD2 H 3.44 0.02 2 597 64 64 PRO HD3 H 3.75 0.02 2 598 64 64 PRO HG2 H 2.26 0.02 2 599 64 64 PRO HG3 H 1.98 0.02 2 600 64 64 PRO C C 176.9 0.3 1 601 64 64 PRO CA C 64.2 0.3 1 602 64 64 PRO CB C 31.8 0.3 1 603 64 64 PRO CD C 50.2 0.3 1 604 64 64 PRO CG C 27.2 0.3 1 605 65 65 GLU H H 9.21 0.02 1 606 65 65 GLU HA H 4.28 0.02 1 607 65 65 GLU HB2 H 2.10 0.02 2 608 65 65 GLU HB3 H 1.95 0.02 2 609 65 65 GLU HG2 H 2.33 0.02 2 610 65 65 GLU HG3 H 2.32 0.02 2 611 65 65 GLU C C 174.3 0.3 1 612 65 65 GLU CA C 56.6 0.3 1 613 65 65 GLU CB C 28.2 0.3 1 614 65 65 GLU CG C 33.8 0.3 1 615 65 65 GLU N N 117.0 0.3 1 616 66 66 ALA H H 8.04 0.02 1 617 66 66 ALA HA H 5.23 0.02 1 618 66 66 ALA HB H 1.04 0.02 1 619 66 66 ALA C C 174.9 0.3 1 620 66 66 ALA CA C 50.3 0.3 1 621 66 66 ALA CB C 22.2 0.3 1 622 66 66 ALA N N 124.8 0.3 1 623 67 67 LEU H H 8.71 0.02 1 624 67 67 LEU HA H 4.80 0.02 1 625 67 67 LEU HB2 H 1.63 0.02 2 626 67 67 LEU HB3 H 1.12 0.02 2 627 67 67 LEU HD1 H 0.78 0.02 1 628 67 67 LEU HD2 H 0.72 0.02 1 629 67 67 LEU HG H 0.82 0.02 1 630 67 67 LEU C C 177.2 0.3 1 631 67 67 LEU CA C 52.8 0.3 1 632 67 67 LEU CB C 43.2 0.3 1 633 67 67 LEU CD1 C 25.2 0.3 1 634 67 67 LEU CD2 C 25.3 0.3 1 635 67 67 LEU CG C 23.7 0.3 1 636 67 67 LEU N N 120.4 0.3 1 637 68 68 LYS H H 9.18 0.02 1 638 68 68 LYS HA H 4.05 0.02 1 639 68 68 LYS HB2 H 1.79 0.02 2 640 68 68 LYS HB3 H 1.72 0.02 2 641 68 68 LYS HD2 H 1.66 0.02 2 642 68 68 LYS HD3 H 1.64 0.02 2 643 68 68 LYS HE2 H 2.89 0.02 2 644 68 68 LYS HE3 H 2.83 0.02 2 645 68 68 LYS HG2 H 1.41 0.02 2 646 68 68 LYS HG3 H 1.36 0.02 2 647 68 68 LYS C C 176.9 0.3 1 648 68 68 LYS CA C 57.1 0.3 1 649 68 68 LYS CB C 32.6 0.3 1 650 68 68 LYS CD C 29.1 0.3 1 651 68 68 LYS CE C 42.0 0.3 1 652 68 68 LYS CG C 24.8 0.3 1 653 68 68 LYS N N 125.3 0.3 1 654 69 69 VAL H H 8.15 0.02 1 655 69 69 VAL HA H 5.24 0.02 1 656 69 69 VAL HB H 1.71 0.02 1 657 69 69 VAL HG1 H 0.88 0.02 1 658 69 69 VAL HG2 H 0.71 0.02 1 659 69 69 VAL C C 174.9 0.3 1 660 69 69 VAL CA C 59.9 0.3 1 661 69 69 VAL CB C 34.7 0.3 1 662 69 69 VAL CG1 C 21.2 0.3 1 663 69 69 VAL CG2 C 24.1 0.3 1 664 69 69 VAL N N 121.6 0.3 1 665 70 70 SER H H 8.61 0.02 1 666 70 70 SER HA H 5.21 0.02 1 667 70 70 SER HB2 H 3.44 0.02 2 668 70 70 SER HB3 H 3.30 0.02 2 669 70 70 SER C C 171.9 0.3 1 670 70 70 SER CA C 56.6 0.3 1 671 70 70 SER CB C 65.6 0.3 1 672 70 70 SER N N 120.6 0.3 1 673 71 71 CYS H H 9.28 0.02 1 674 71 71 CYS HA H 4.13 0.02 1 675 71 71 CYS HB2 H 3.17 0.02 2 676 71 71 CYS HB3 H 3.14 0.02 2 677 71 71 CYS C C 178.6 0.3 1 678 71 71 CYS CA C 61.6 0.3 1 679 71 71 CYS CB C 31.3 0.3 1 680 71 71 CYS N N 126.7 0.3 1 681 72 72 GLY H H 9.14 0.02 1 682 72 72 GLY HA2 H 3.76 0.02 2 683 72 72 GLY HA3 H 3.67 0.02 2 684 72 72 GLY C C 172.5 0.3 1 685 72 72 GLY CA C 46.2 0.3 1 686 72 72 GLY N N 120.1 0.3 1 687 73 73 LYS H H 9.09 0.02 1 688 73 73 LYS HA H 4.21 0.02 1 689 73 73 LYS HB2 H 1.67 0.02 2 690 73 73 LYS HB3 H 0.66 0.02 2 691 73 73 LYS HD2 H 1.44 0.02 2 692 73 73 LYS HD3 H 1.22 0.02 2 693 73 73 LYS HE2 H 2.47 0.02 1 694 73 73 LYS HG2 H 0.74 0.02 2 695 73 73 LYS HG3 H 1.11 0.02 2 696 73 73 LYS C C 177.6 0.3 1 697 73 73 LYS CA C 56.6 0.3 1 698 73 73 LYS CB C 32.7 0.3 1 699 73 73 LYS CD C 27.6 0.3 1 700 73 73 LYS CE C 41.5 0.3 1 701 73 73 LYS CG C 23.9 0.3 1 702 73 73 LYS N N 124.4 0.3 1 703 74 74 CYS H H 8.59 0.02 1 704 74 74 CYS HA H 4.91 0.02 1 705 74 74 CYS HB2 H 3.21 0.02 2 706 74 74 CYS HB3 H 2.54 0.02 2 707 74 74 CYS C C 177.4 0.3 1 708 74 74 CYS CA C 58.9 0.3 1 709 74 74 CYS CB C 33.3 0.3 1 710 74 74 CYS N N 119.7 0.3 1 711 75 75 GLY H H 7.76 0.02 1 712 75 75 GLY HA2 H 4.21 0.02 2 713 75 75 GLY HA3 H 3.75 0.02 2 714 75 75 GLY C C 174.0 0.3 1 715 75 75 GLY CA C 46.1 0.3 1 716 75 75 GLY N N 113.0 0.3 1 717 76 76 ASN H H 9.05 0.02 1 718 76 76 ASN HA H 4.50 0.02 1 719 76 76 ASN HB2 H 2.99 0.02 2 720 76 76 ASN HB3 H 2.71 0.02 2 721 76 76 ASN HD21 H 8.25 0.02 1 722 76 76 ASN HD22 H 7.08 0.02 1 723 76 76 ASN C C 178.7 0.3 1 724 76 76 ASN CA C 54.7 0.3 1 725 76 76 ASN CB C 39.8 0.3 1 726 76 76 ASN N N 123.7 0.3 1 727 76 76 ASN ND2 N 115.4 0.3 1 728 77 77 GLY H H 8.66 0.02 1 729 77 77 GLY HA2 H 3.97 0.02 2 730 77 77 GLY HA3 H 3.71 0.02 2 731 77 77 GLY C C 173.8 0.3 1 732 77 77 GLY CA C 47.3 0.3 1 733 77 77 GLY N N 115.6 0.3 1 734 78 78 LEU H H 8.60 0.02 1 735 78 78 LEU HA H 4.81 0.02 1 736 78 78 LEU HB2 H 1.56 0.02 2 737 78 78 LEU HB3 H 1.52 0.02 2 738 78 78 LEU HD1 H 0.92 0.02 1 739 78 78 LEU HD2 H 0.75 0.02 1 740 78 78 LEU HG H 1.44 0.02 1 741 78 78 LEU C C 173.8 0.3 1 742 78 78 LEU CA C 54.9 0.3 1 743 78 78 LEU CB C 45.0 0.3 1 744 78 78 LEU CD1 C 23.4 0.3 1 745 78 78 LEU CD2 C 24.4 0.3 1 746 78 78 LEU CG C 26.0 0.3 1 747 78 78 LEU N N 122.7 0.3 1 748 79 79 GLY H H 7.10 0.02 1 749 79 79 GLY HA2 H 4.65 0.02 2 750 79 79 GLY HA3 H 3.02 0.02 2 751 79 79 GLY C C 173.0 0.3 1 752 79 79 GLY CA C 44.9 0.3 1 753 79 79 GLY N N 102.4 0.3 1 754 80 80 HIS H H 8.58 0.02 1 755 80 80 HIS HA H 5.47 0.02 1 756 80 80 HIS HB2 H 2.02 0.02 2 757 80 80 HIS HB3 H 1.95 0.02 2 758 80 80 HIS HD2 H 7.03 0.02 1 759 80 80 HIS HE1 H 8.16 0.02 1 760 80 80 HIS C C 172.3 0.3 1 761 80 80 HIS CA C 55.0 0.3 1 762 80 80 HIS CB C 34.5 0.3 1 763 80 80 HIS N N 122.4 0.3 1 764 81 81 GLU H H 9.26 0.02 1 765 81 81 GLU HA H 4.10 0.02 1 766 81 81 GLU HB2 H 1.56 0.02 2 767 81 81 GLU HB3 H 1.05 0.02 2 768 81 81 GLU HG2 H 1.22 0.02 2 769 81 81 GLU HG3 H 0.44 0.02 2 770 81 81 GLU C C 174.3 0.3 1 771 81 81 GLU CA C 54.7 0.3 1 772 81 81 GLU CB C 31.6 0.3 1 773 81 81 GLU CG C 34.1 0.3 1 774 81 81 GLU N N 123.7 0.3 1 775 82 82 PHE H H 9.15 0.02 1 776 82 82 PHE HA H 5.08 0.02 1 777 82 82 PHE HB2 H 3.11 0.02 2 778 82 82 PHE HB3 H 2.96 0.02 2 779 82 82 PHE HZ H 7.09 0.02 1 780 82 82 PHE C C 174.3 0.3 1 781 82 82 PHE CA C 56.7 0.3 1 782 82 82 PHE CB C 38.8 0.3 1 783 82 82 PHE N N 126.9 0.3 1 784 83 83 LEU H H 8.28 0.02 1 785 83 83 LEU HA H 4.10 0.02 1 786 83 83 LEU HB2 H 1.63 0.02 2 787 83 83 LEU HB3 H 1.33 0.02 2 788 83 83 LEU HD1 H 0.66 0.02 1 789 83 83 LEU HD2 H 0.64 0.02 1 790 83 83 LEU HG H 1.76 0.02 1 791 83 83 LEU C C 176.2 0.3 1 792 83 83 LEU CA C 55.5 0.3 1 793 83 83 LEU CB C 42.0 0.3 1 794 83 83 LEU CD2 C 20.6 0.3 1 795 83 83 LEU N N 126.9 0.3 1 796 84 84 ASN H H 9.26 0.02 1 797 84 84 ASN HA H 4.29 0.02 1 798 84 84 ASN HB2 H 3.01 0.02 2 799 84 84 ASN HB3 H 2.81 0.02 2 800 84 84 ASN HD21 H 7.64 0.02 1 801 84 84 ASN HD22 H 6.77 0.02 1 802 84 84 ASN C C 174.4 0.3 1 803 84 84 ASN CA C 54.8 0.3 1 804 84 84 ASN CB C 37.9 0.3 1 805 84 84 ASN N N 116.9 0.3 1 806 84 84 ASN ND2 N 114.2 0.3 1 807 85 85 ASP H H 7.14 0.02 1 808 85 85 ASP HA H 5.20 0.02 1 809 85 85 ASP HB2 H 2.48 0.02 2 810 85 85 ASP HB3 H 2.21 0.02 2 811 85 85 ASP C C 176.0 0.3 1 812 85 85 ASP CA C 53.8 0.3 1 813 85 85 ASP CB C 45.5 0.3 1 814 85 85 ASP N N 117.2 0.3 1 815 86 86 GLY H H 8.23 0.02 1 816 86 86 GLY HA2 H 4.14 0.02 2 817 86 86 GLY HA3 H 3.28 0.02 2 818 86 86 GLY C C 171.7 0.3 1 819 86 86 GLY CA C 44.6 0.3 1 820 86 86 GLY N N 107.6 0.3 1 821 87 87 PRO HA H 4.19 0.02 1 822 87 87 PRO HB2 H 2.01 0.02 2 823 87 87 PRO HB3 H 1.73 0.02 2 824 87 87 PRO HD2 H 3.15 0.02 2 825 87 87 PRO HD3 H 3.27 0.02 2 826 87 87 PRO HG2 H 1.44 0.02 2 827 87 87 PRO HG3 H 0.87 0.02 2 828 87 87 PRO C C 177.0 0.3 1 829 87 87 PRO CA C 65.2 0.3 1 830 87 87 PRO CB C 31.7 0.3 1 831 87 87 PRO CD C 49.3 0.3 1 832 87 87 PRO CG C 26.5 0.3 1 833 88 88 LYS H H 7.31 0.02 1 834 88 88 LYS HA H 4.48 0.02 1 835 88 88 LYS HB2 H 1.71 0.02 2 836 88 88 LYS HB3 H 1.43 0.02 2 837 88 88 LYS HD2 H 1.66 0.02 2 838 88 88 LYS HD3 H 1.62 0.02 2 839 88 88 LYS HE2 H 2.96 0.02 2 840 88 88 LYS HE3 H 2.91 0.02 2 841 88 88 LYS HG2 H 1.58 0.02 2 842 88 88 LYS HG3 H 1.54 0.02 2 843 88 88 LYS C C 175.7 0.3 1 844 88 88 LYS CA C 53.7 0.3 1 845 88 88 LYS CB C 34.9 0.3 1 846 88 88 LYS CD C 33.0 0.3 1 847 88 88 LYS CE C 41.8 0.3 1 848 88 88 LYS CG C 29.0 0.3 1 849 88 88 LYS N N 116.2 0.3 1 850 89 89 ARG H H 8.32 0.02 1 851 89 89 ARG HA H 4.01 0.02 1 852 89 89 ARG HB2 H 1.81 0.02 2 853 89 89 ARG HB3 H 1.73 0.02 2 854 89 89 ARG HD2 H 3.20 0.02 1 855 89 89 ARG HE H 7.18 0.02 1 856 89 89 ARG HG2 H 1.60 0.02 2 857 89 89 ARG HG3 H 1.57 0.02 2 858 89 89 ARG C C 177.5 0.3 1 859 89 89 ARG CA C 57.9 0.3 1 860 89 89 ARG CB C 32.1 0.3 1 861 89 89 ARG CD C 43.2 0.3 1 862 89 89 ARG CG C 26.8 0.3 1 863 89 89 ARG N N 122.2 0.3 1 864 89 89 ARG NE N 85.1 0.3 1 865 90 90 GLY H H 8.95 0.02 1 866 90 90 GLY HA2 H 4.24 0.02 2 867 90 90 GLY HA3 H 3.85 0.02 2 868 90 90 GLY C C 175.0 0.3 1 869 90 90 GLY CA C 45.1 0.3 1 870 90 90 GLY N N 115.1 0.3 1 871 91 91 GLN H H 8.12 0.02 1 872 91 91 GLN HA H 4.58 0.02 1 873 91 91 GLN HB2 H 2.20 0.02 2 874 91 91 GLN HB3 H 2.08 0.02 2 875 91 91 GLN HE21 H 6.45 0.02 1 876 91 91 GLN HE22 H 7.61 0.02 1 877 91 91 GLN HG2 H 2.42 0.02 2 878 91 91 GLN HG3 H 2.29 0.02 2 879 91 91 GLN C C 177.0 0.3 1 880 91 91 GLN CA C 55.9 0.3 1 881 91 91 GLN CB C 31.0 0.3 1 882 91 91 GLN CG C 35.0 0.3 1 883 91 91 GLN N N 120.9 0.3 1 884 92 92 SER H H 9.21 0.02 1 885 92 92 SER HA H 4.82 0.02 1 886 92 92 SER HB2 H 3.53 0.02 2 887 92 92 SER HB3 H 3.45 0.02 2 888 92 92 SER C C 171.6 0.3 1 889 92 92 SER CA C 57.7 0.3 1 890 92 92 SER CB C 65.2 0.3 1 891 92 92 SER N N 120.9 0.3 1 892 93 93 ARG H H 7.82 0.02 1 893 93 93 ARG HA H 4.95 0.02 1 894 93 93 ARG HB2 H 1.87 0.02 2 895 93 93 ARG HB3 H 1.47 0.02 2 896 93 93 ARG HD2 H 2.89 0.02 1 897 93 93 ARG HG2 H 1.35 0.02 1 898 93 93 ARG C C 176.4 0.3 1 899 93 93 ARG CA C 55.2 0.3 1 900 93 93 ARG CB C 34.6 0.3 1 901 93 93 ARG CD C 41.9 0.3 1 902 93 93 ARG CG C 27.4 0.3 1 903 93 93 ARG N N 117.8 0.3 1 904 94 94 PHE H H 9.86 0.02 1 905 94 94 PHE HA H 4.78 0.02 1 906 94 94 PHE HB2 H 3.03 0.02 2 907 94 94 PHE HB3 H 2.41 0.02 2 908 94 94 PHE C C 176.4 0.3 1 909 94 94 PHE CA C 58.3 0.3 1 910 94 94 PHE CB C 38.5 0.3 1 911 94 94 PHE N N 127.1 0.3 1 912 95 95 CYS H H 9.19 0.02 1 913 95 95 CYS HA H 4.81 0.02 1 914 95 95 CYS HB2 H 2.66 0.02 2 915 95 95 CYS HB3 H 2.55 0.02 2 916 95 95 CYS CA C 57.3 0.3 1 917 95 95 CYS CB C 28.7 0.3 1 918 95 95 CYS N N 128.2 0.3 1 919 96 96 ILE H H 7.51 0.02 1 920 96 96 ILE HA H 4.62 0.02 1 921 96 96 ILE HB H 1.63 0.02 1 922 96 96 ILE HD1 H 0.50 0.02 1 923 96 96 ILE HG12 H 0.76 0.02 1 924 96 96 ILE HG2 H 0.95 0.02 1 925 96 96 ILE C C 173.7 0.3 1 926 96 96 ILE CA C 55.8 0.3 1 927 96 96 ILE CB C 39.9 0.3 1 928 96 96 ILE CD1 C 9.2 0.3 1 929 96 96 ILE CG1 C 26.2 0.3 1 930 96 96 ILE CG2 C 18.0 0.3 1 931 96 96 ILE N N 130.7 0.3 1 932 97 97 PHE H H 8.04 0.02 1 933 97 97 PHE HA H 4.92 0.02 1 934 97 97 PHE HB2 H 3.55 0.02 2 935 97 97 PHE HB3 H 3.00 0.02 2 936 97 97 PHE C C 178.8 0.3 1 937 97 97 PHE CA C 57.5 0.3 1 938 97 97 PHE CB C 38.4 0.3 1 939 97 97 PHE N N 122.4 0.3 1 940 98 98 SER HA H 4.38 0.02 1 941 98 98 SER HB2 H 4.28 0.02 2 942 98 98 SER HB3 H 3.79 0.02 2 943 98 98 SER C C 176.4 0.3 1 944 98 98 SER CA C 64.9 0.3 1 945 98 98 SER CB C 63.6 0.3 1 946 99 99 SER H H 9.36 0.02 1 947 99 99 SER HA H 4.30 0.02 1 948 99 99 SER HB2 H 4.02 0.02 2 949 99 99 SER HB3 H 3.92 0.02 2 950 99 99 SER C C 175.8 0.3 1 951 99 99 SER CA C 60.2 0.3 1 952 99 99 SER CB C 62.7 0.3 1 953 99 99 SER N N 114.1 0.3 1 954 100 100 SER H H 8.15 0.02 1 955 100 100 SER HA H 4.63 0.02 1 956 100 100 SER HB2 H 4.36 0.02 2 957 100 100 SER HB3 H 3.89 0.02 2 958 100 100 SER C C 173.5 0.3 1 959 100 100 SER CA C 60.4 0.3 1 960 100 100 SER CB C 63.6 0.3 1 961 100 100 SER N N 118.7 0.3 1 962 101 101 LEU H H 8.10 0.02 1 963 101 101 LEU HA H 5.57 0.02 1 964 101 101 LEU HB2 H 1.49 0.02 2 965 101 101 LEU HB3 H 1.45 0.02 2 966 101 101 LEU HD1 H 0.64 0.02 1 967 101 101 LEU HD2 H 0.82 0.02 1 968 101 101 LEU HG H 1.33 0.02 1 969 101 101 LEU C C 176.0 0.3 1 970 101 101 LEU CA C 53.4 0.3 1 971 101 101 LEU CB C 46.7 0.3 1 972 101 101 LEU CD1 C 24.6 0.3 1 973 101 101 LEU CG C 27.3 0.3 1 974 101 101 LEU N N 122.0 0.3 1 975 102 102 LYS H H 8.95 0.02 1 976 102 102 LYS HA H 4.71 0.02 1 977 102 102 LYS HB2 H 1.73 0.02 2 978 102 102 LYS HB3 H 1.46 0.02 2 979 102 102 LYS HD2 H 1.79 0.02 1 980 102 102 LYS HE2 H 3.10 0.02 2 981 102 102 LYS HE3 H 3.03 0.02 2 982 102 102 LYS HG2 H 1.28 0.02 1 983 102 102 LYS C C 174.4 0.3 1 984 102 102 LYS CA C 55.4 0.3 1 985 102 102 LYS CB C 36.5 0.3 1 986 102 102 LYS CD C 30.6 0.3 1 987 102 102 LYS CE C 43.9 0.3 1 988 102 102 LYS CG C 27.7 0.3 1 989 102 102 LYS N N 119.5 0.3 1 990 103 103 PHE H H 9.01 0.02 1 991 103 103 PHE HA H 4.75 0.02 1 992 103 103 PHE HB2 H 2.67 0.02 2 993 103 103 PHE HB3 H 2.30 0.02 2 994 103 103 PHE C C 173.9 0.3 1 995 103 103 PHE CA C 57.1 0.3 1 996 103 103 PHE CB C 41.3 0.3 1 997 103 103 PHE N N 124.5 0.3 1 998 104 104 VAL H H 8.55 0.02 1 999 104 104 VAL HA H 4.14 0.02 1 1000 104 104 VAL HB H 1.76 0.02 1 1001 104 104 VAL HG1 H 0.76 0.02 1 1002 104 104 VAL HG2 H 0.64 0.02 1 1003 104 104 VAL C C 172.8 0.3 1 1004 104 104 VAL CA C 58.8 0.3 1 1005 104 104 VAL CB C 32.3 0.3 1 1006 104 104 VAL CG1 C 23.4 0.3 1 1007 104 104 VAL CG2 C 22.4 0.3 1 1008 104 104 VAL N N 132.0 0.3 1 1009 105 105 PRO HA H 4.11 0.02 1 1010 105 105 PRO HB2 H 2.48 0.02 2 1011 105 105 PRO HB3 H 1.86 0.02 2 1012 105 105 PRO HD2 H 3.59 0.02 2 1013 105 105 PRO HD3 H 3.56 0.02 2 1014 105 105 PRO HG2 H 2.05 0.02 2 1015 105 105 PRO HG3 H 2.00 0.02 2 1016 105 105 PRO C C 176.4 0.3 1 1017 105 105 PRO CA C 62.4 0.3 1 1018 105 105 PRO CB C 32.4 0.3 1 1019 105 105 PRO CD C 51.3 0.3 1 1020 105 105 PRO CG C 27.0 0.3 1 1021 106 106 LYS H H 7.90 0.02 1 1022 106 106 LYS HA H 4.17 0.02 1 1023 106 106 LYS HB2 H 1.65 0.02 2 1024 106 106 LYS HB3 H 1.51 0.02 2 1025 106 106 LYS HD2 H 1.43 0.02 2 1026 106 106 LYS HD3 H 1.22 0.02 2 1027 106 106 LYS HE2 H 2.46 0.02 1 1028 106 106 LYS HG2 H 1.43 0.02 2 1029 106 106 LYS HG3 H 1.36 0.02 2 1030 106 106 LYS C C 176.9 0.3 1 1031 106 106 LYS CA C 56.7 0.3 1 1032 106 106 LYS CB C 33.5 0.3 1 1033 106 106 LYS CD C 28.1 0.3 1 1034 106 106 LYS CE C 42.0 0.3 1 1035 106 106 LYS CG C 26.5 0.3 1 1036 106 106 LYS N N 123.2 0.3 1 1037 107 107 GLY H H 8.74 0.02 1 1038 107 107 GLY HA2 H 3.93 0.02 2 1039 107 107 GLY HA3 H 3.96 0.02 2 1040 107 107 GLY C C 174.0 0.3 1 1041 107 107 GLY CA C 45.0 0.3 1 1042 107 107 GLY N N 113.5 0.3 1 1043 108 108 LYS H H 8.24 0.02 1 1044 108 108 LYS HA H 4.29 0.02 1 1045 108 108 LYS HB2 H 1.83 0.02 2 1046 108 108 LYS HB3 H 1.70 0.02 2 1047 108 108 LYS HD2 H 1.37 0.02 2 1048 108 108 LYS HD3 H 1.33 0.02 2 1049 108 108 LYS HE2 H 2.96 0.02 2 1050 108 108 LYS HE3 H 2.93 0.02 2 1051 108 108 LYS HG2 H 1.19 0.02 1 1052 108 108 LYS C C 176.7 0.3 1 1053 108 108 LYS CA C 56.0 0.3 1 1054 108 108 LYS CB C 32.7 0.3 1 1055 108 108 LYS CD C 27.5 0.3 1 1056 108 108 LYS CE C 41.8 0.3 1 1057 108 108 LYS CG C 26.2 0.3 1 1058 108 108 LYS N N 121.5 0.3 1 1059 109 109 GLU H H 8.65 0.02 1 1060 109 109 GLU HA H 4.18 0.02 1 1061 109 109 GLU HB2 H 2.00 0.02 2 1062 109 109 GLU HB3 H 1.90 0.02 2 1063 109 109 GLU HG2 H 2.24 0.02 2 1064 109 109 GLU HG3 H 2.12 0.02 2 1065 109 109 GLU C C 176.5 0.3 1 1066 109 109 GLU CA C 56.6 0.3 1 1067 109 109 GLU CB C 29.9 0.3 1 1068 109 109 GLU CG C 36.4 0.3 1 1069 109 109 GLU N N 122.8 0.3 1 1070 110 110 ALA H H 8.40 0.02 1 1071 110 110 ALA HA H 4.19 0.02 1 1072 110 110 ALA HB H 1.35 0.02 1 1073 110 110 ALA CA C 52.5 0.3 1 1074 110 110 ALA CB C 19.0 0.3 1 1075 110 110 ALA N N 126.1 0.3 1 1076 111 111 ALA H H 8.24 0.02 1 1077 111 111 ALA HA H 4.22 0.02 1 1078 111 111 ALA HB H 1.34 0.02 1 1079 111 111 ALA C C 177.8 0.3 1 1080 111 111 ALA CA C 52.6 0.3 1 1081 111 111 ALA CB C 19.0 0.3 1 1082 111 111 ALA N N 123.8 0.3 1 1083 112 112 ALA H H 8.22 0.02 1 1084 112 112 ALA HA H 4.25 0.02 1 1085 112 112 ALA HB H 1.35 0.02 1 1086 112 112 ALA C C 178.1 0.3 1 1087 112 112 ALA CA C 52.6 0.3 1 1088 112 112 ALA CB C 19.1 0.3 1 1089 112 112 ALA N N 123.6 0.3 1 1090 113 113 SER H H 8.20 0.02 1 1091 113 113 SER HA H 4.36 0.02 1 1092 113 113 SER HB2 H 3.86 0.02 2 1093 113 113 SER HB3 H 3.85 0.02 2 1094 113 113 SER C C 174.8 0.3 1 1095 113 113 SER CA C 58.3 0.3 1 1096 113 113 SER CB C 63.5 0.3 1 1097 113 113 SER N N 115.4 0.3 1 1098 114 114 GLN H H 8.32 0.02 1 1099 114 114 GLN HA H 4.29 0.02 1 1100 114 114 GLN HB2 H 2.09 0.02 2 1101 114 114 GLN HB3 H 1.94 0.02 2 1102 114 114 GLN HE21 H 6.83 0.02 1 1103 114 114 GLN HE22 H 7.49 0.02 1 1104 114 114 GLN HG2 H 2.33 0.02 2 1105 114 114 GLN HG3 H 2.29 0.02 2 1106 114 114 GLN C C 176.5 0.3 1 1107 114 114 GLN CA C 55.9 0.3 1 1108 114 114 GLN CB C 29.3 0.3 1 1109 114 114 GLN CG C 36.0 0.3 1 1110 114 114 GLN N N 122.5 0.3 1 1111 115 115 GLY H H 8.37 0.02 1 1112 115 115 GLY HA2 H 3.85 0.02 2 1113 115 115 GLY HA3 H 3.85 0.02 2 1114 115 115 GLY C C 173.9 0.3 1 1115 115 115 GLY CA C 45.4 0.3 1 1116 115 115 GLY N N 110.0 0.3 1 1117 116 116 HIS H H 8.29 0.02 1 1118 116 116 HIS HA H 4.62 0.02 1 1119 116 116 HIS HB2 H 3.17 0.02 2 1120 116 116 HIS HB3 H 3.08 0.02 2 1121 116 116 HIS HD2 H 7.22 0.02 1 1122 116 116 HIS HE1 H 7.74 0.02 1 1123 116 116 HIS C C 174.6 0.3 1 1124 116 116 HIS CA C 55.5 0.3 1 1125 116 116 HIS CB C 29.1 0.3 1 1126 116 116 HIS N N 119.1 0.3 1 1127 117 117 LEU H H 8.22 0.02 1 1128 117 117 LEU HA H 4.24 0.02 1 1129 117 117 LEU HB2 H 1.51 0.02 2 1130 117 117 LEU HB3 H 1.42 0.02 2 1131 117 117 LEU HD1 H 0.82 0.02 1 1132 117 117 LEU HD2 H 0.76 0.02 1 1133 117 117 LEU HG H 1.45 0.02 1 1134 117 117 LEU C C 174.6 0.3 1 1135 117 117 LEU CA C 55.1 0.3 1 1136 117 117 LEU CB C 42.3 0.3 1 1137 117 117 LEU CD1 C 24.9 0.3 1 1138 117 117 LEU CD2 C 23.0 0.3 1 1139 117 117 LEU CG C 26.7 0.3 1 1140 117 117 LEU N N 124.1 0.3 1 1141 118 118 GLU H H 8.35 0.02 1 1142 118 118 GLU HA H 4.16 0.02 1 1143 118 118 GLU HB2 H 1.83 0.02 2 1144 118 118 GLU HB3 H 1.81 0.02 2 1145 118 118 GLU HG2 H 2.16 0.02 2 1146 118 118 GLU HG3 H 2.12 0.02 2 1147 118 118 GLU C C 176.0 0.3 1 1148 118 118 GLU CA C 56.3 0.3 1 1149 118 118 GLU CB C 30.3 0.3 1 1150 118 118 GLU CG C 35.9 0.3 1 1151 118 118 GLU N N 122.3 0.3 1 1152 119 119 HIS H H 8.41 0.02 1 1153 119 119 HIS HA H 4.57 0.02 1 1154 119 119 HIS HB2 H 3.07 0.02 2 1155 119 119 HIS HB3 H 2.99 0.02 2 1156 119 119 HIS C C 174.5 0.3 1 1157 119 119 HIS CA C 55.4 0.3 1 1158 119 119 HIS CB C 29.4 0.3 1 1159 119 119 HIS N N 120.5 0.3 1 1160 120 120 HIS H H 8.53 0.02 1 1161 120 120 HIS HA H 4.64 0.02 1 1162 120 120 HIS HB2 H 3.04 0.02 2 1163 120 120 HIS HB3 H 2.98 0.02 2 1164 120 120 HIS C C 174.4 0.3 1 1165 120 120 HIS CA C 57.9 0.3 1 1166 120 120 HIS CB C 29.4 0.3 1 1167 120 120 HIS N N 121.0 0.3 1 stop_ save_