data_15211 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of protein , Northeastprotein yxeF Structural Genomics Consortium target Sr500a ; _BMRB_accession_number 15211 _BMRB_flat_file_name bmr15211.str _Entry_type original _Submission_date 2007-04-10 _Accession_date 2007-04-10 _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 Wu Yibing . . 2 Liu Gaohua . . 3 Zhang Qi . . 4 Bhatnagar Sagar . . 5 Chen 'Chen X.' . . 6 Nwosu Chioma . . 7 Xiao Rong . . 8 Cunningham Kellie . . 9 Locke Jessica . . 10 Ma Li-Chung . . 11 Swapna G.V.T . . 12 Baran 'Michael C.' . . 13 Acton Thomas . . 14 Montelione Gaetano . . 15 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 774 "13C chemical shifts" 542 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2007-06-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of protein, Northeastprotein yxeF Structural Genomics Consortium target Sr500a' _Citation_status 'in preparation' _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 Wu Yibing . . 2 Liu Gaohua . . 3 Zhang Qi . . 4 Bhatnagar Sagar . . 5 Chen 'Chen X.' . . 6 Nwosu Chioma . . 7 Xiao Rong . . 8 Cunningham Kellie . . 9 Locke Jessica . . 10 Ma Li-Chung . . 11 Swapna G.V.T . . 12 Baran 'Michael C.' . . 13 Acton Thomas . . 14 Montelione Gaetano . . 15 Szyperski Thomas . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'protein yxeF' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'protein yxeF' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'protein yxeF' _Molecular_mass 15450.332 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; MIMVSGCQQQKEETPFYYGT WDEGRAPGPTDGVKSATVTF TEDEVVETEVMEGRGEVQLP FMAYKVISQSTDGSIEIQYL GPYYPLKSTLKRGENGTLIW EQNGQRKTMTRIESKTGREE KDEKSKSLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 MET 4 VAL 5 SER 6 GLY 7 CYS 8 GLN 9 GLN 10 GLN 11 LYS 12 GLU 13 GLU 14 THR 15 PRO 16 PHE 17 TYR 18 TYR 19 GLY 20 THR 21 TRP 22 ASP 23 GLU 24 GLY 25 ARG 26 ALA 27 PRO 28 GLY 29 PRO 30 THR 31 ASP 32 GLY 33 VAL 34 LYS 35 SER 36 ALA 37 THR 38 VAL 39 THR 40 PHE 41 THR 42 GLU 43 ASP 44 GLU 45 VAL 46 VAL 47 GLU 48 THR 49 GLU 50 VAL 51 MET 52 GLU 53 GLY 54 ARG 55 GLY 56 GLU 57 VAL 58 GLN 59 LEU 60 PRO 61 PHE 62 MET 63 ALA 64 TYR 65 LYS 66 VAL 67 ILE 68 SER 69 GLN 70 SER 71 THR 72 ASP 73 GLY 74 SER 75 ILE 76 GLU 77 ILE 78 GLN 79 TYR 80 LEU 81 GLY 82 PRO 83 TYR 84 TYR 85 PRO 86 LEU 87 LYS 88 SER 89 THR 90 LEU 91 LYS 92 ARG 93 GLY 94 GLU 95 ASN 96 GLY 97 THR 98 LEU 99 ILE 100 TRP 101 GLU 102 GLN 103 ASN 104 GLY 105 GLN 106 ARG 107 LYS 108 THR 109 MET 110 THR 111 ARG 112 ILE 113 GLU 114 SER 115 LYS 116 THR 117 GLY 118 ARG 119 GLU 120 GLU 121 LYS 122 ASP 123 GLU 124 LYS 125 SER 126 LYS 127 SER 128 LEU 129 GLU 130 HIS 131 HIS 132 HIS 133 HIS 134 HIS 135 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 2JOZ "Solution Nmr Structure Of Protein Yxef, Northeast Structural Genomics Consortium Target Sr500a" 100.00 135 100.00 100.00 5.13e-94 DBJ BAA08322 "yxeF [Bacillus subtilis]" 93.33 144 100.00 100.00 1.62e-85 DBJ BAI87653 "hypothetical protein BSNT_10641 [Bacillus subtilis subsp. natto BEST195]" 93.33 144 99.21 100.00 8.06e-85 DBJ BAM56043 "hypothetical protein BEST7613_7112 [Bacillus subtilis BEST7613]" 93.33 144 100.00 100.00 1.62e-85 DBJ BAM60055 "hypothetical protein BEST7003_3854 [Bacillus subtilis BEST7003]" 93.33 144 100.00 100.00 1.62e-85 DBJ GAK81370 "hypothetical protein BSMD_032850 [Bacillus subtilis Miyagi-4]" 93.33 144 99.21 100.00 8.06e-85 EMBL CAB15993 "lipocalin-like protein [Bacillus subtilis subsp. subtilis str. 168]" 93.33 144 100.00 100.00 1.62e-85 EMBL CEI59768 "hypothetical protein BS49_43000 [Bacillus subtilis]" 93.33 144 100.00 100.00 1.62e-85 EMBL CEJ79625 "hypothetical protein BS34A_42830 [Bacillus sp.]" 93.33 144 100.00 100.00 1.62e-85 EMBL CJR72173 "Protein of uncharacterised function (DUF3255) [Streptococcus pneumoniae]" 93.33 144 99.21 100.00 6.34e-85 EMBL CON90429 "Protein of uncharacterised function (DUF3255) [Streptococcus pneumoniae]" 93.33 144 99.21 100.00 6.34e-85 GB ADV94782 "hypothetical protein BSn5_10810 [Bacillus subtilis BSn5]" 93.33 144 98.41 98.41 1.87e-83 GB AEP93027 "lipoprotein, putative [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 93.33 144 97.62 97.62 6.92e-83 GB AFQ59810 "YxeF [Bacillus subtilis QB928]" 93.33 158 100.00 100.00 4.20e-85 GB AGA22603 "Hypothetical protein YxeF [Bacillus subtilis subsp. subtilis str. BSP1]" 93.33 144 99.21 100.00 6.34e-85 GB AGG63371 "YxeF [Bacillus subtilis subsp. subtilis 6051-HGW]" 93.33 144 100.00 100.00 1.62e-85 REF NP_391836 "hypothetical protein BSU39570 [Bacillus subtilis subsp. subtilis str. 168]" 93.33 144 100.00 100.00 1.62e-85 REF WP_003227095 "hypothetical protein [Bacillus subtilis]" 93.33 144 98.41 99.21 7.39e-84 REF WP_003244165 "MULTISPECIES: hypothetical protein [Bacillus]" 93.33 144 100.00 100.00 1.62e-85 REF WP_014478470 "hypothetical protein [Bacillus subtilis]" 93.33 144 97.62 97.62 6.92e-83 REF WP_014481402 "hypothetical protein [Bacillus subtilis]" 93.33 144 99.21 100.00 8.06e-85 SP P54945 "RecName: Full=Uncharacterized protein YxeF; Flags: Precursor" 93.33 144 100.00 100.00 1.62e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity . 1423 Bacteria Bacillus subtilis subtilis 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 $entity 'recombinant technology' . Escherichia coli . pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1mM protein Sr500a, 10mM Tris, 100mM NaCl, 0.02% NaN3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' Tris 10 mM . NaCl 100 % . NaN3 0.02 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1mM protein Sr500a, 10mM Tris, 100mM NaCl, 0.02% NaN3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-10% 13C; U-100% 15N]' Tris 10 mM . NaCl 100 % . NaN3 0.02 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 9.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Huang, Swapana, Rajan, Ke, Xia, Shukla, Inouye and Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_4,3D,_GFT_HNNCABCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT HNNCABCA' _Sample_label $sample_1 save_ save_4,3D,_GFT_CABCACONNH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT CABCACONNH' _Sample_label $sample_1 save_ save_4,3D,_GFT_HCCH_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT HCCH COSY' _Sample_label $sample_1 save_ save_3D,_15N-13C_RESOLVED_SIMULTANIOUS_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D, 15N-13C RESOLVED SIMULTANIOUS NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label $sample_2 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' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 $XEASY stop_ loop_ _Experiment_label '4,3D, GFT HNNCABCA' '4,3D, GFT CABCACONNH' '4,3D, GFT HCCH COSY' '3D, 15N-13C RESOLVED SIMULTANIOUS NOESY' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'protein yxeF' _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 2 ILE H H 8.26 . 1 2 2 2 ILE HA H 4.22 . 1 3 2 2 ILE HB H 1.83 . 1 4 2 2 ILE HD1 H 0.84 . 1 5 2 2 ILE HG12 H 1.30 . 2 6 2 2 ILE HG13 H 1.24 . 2 7 2 2 ILE HG2 H 0.80 . 1 8 2 2 ILE C C 175.5 . 1 9 2 2 ILE CA C 61.5 . 1 10 2 2 ILE CB C 38.7 . 1 11 2 2 ILE CD1 C 12.8 . 1 12 2 2 ILE CG1 C 27.4 . 1 13 2 2 ILE CG2 C 17.8 . 1 14 2 2 ILE N N 121.6 . 1 15 3 3 MET H H 8.56 . 1 16 3 3 MET HA H 4.56 . 1 17 3 3 MET HB2 H 1.96 . 2 18 3 3 MET HB3 H 1.96 . 2 19 3 3 MET HG2 H 2.51 . 2 20 3 3 MET HG3 H 2.51 . 2 21 3 3 MET C C 175.8 . 1 22 3 3 MET CA C 54.8 . 1 23 3 3 MET CB C 33.1 . 1 24 3 3 MET CG C 32.1 . 1 25 3 3 MET N N 125.7 . 1 26 4 4 VAL H H 8.27 . 1 27 4 4 VAL HA H 4.17 . 1 28 4 4 VAL HB H 2.06 . 1 29 4 4 VAL HG1 H 0.93 . 2 30 4 4 VAL HG2 H 0.91 . 2 31 4 4 VAL C C 176.0 . 1 32 4 4 VAL CA C 62.2 . 1 33 4 4 VAL CB C 32.9 . 1 34 4 4 VAL CG1 C 21.1 . 1 35 4 4 VAL CG2 C 20.5 . 1 36 4 4 VAL N N 122.3 . 1 37 5 5 SER H H 8.46 . 1 38 5 5 SER HA H 4.43 . 1 39 5 5 SER HB2 H 3.86 . 2 40 5 5 SER HB3 H 3.86 . 2 41 5 5 SER C C 175.1 . 1 42 5 5 SER CA C 58.3 . 1 43 5 5 SER CB C 63.8 . 1 44 5 5 SER N N 119.8 . 1 45 6 6 GLY H H 8.50 . 1 46 6 6 GLY HA2 H 4.01 . 2 47 6 6 GLY HA3 H 4.01 . 2 48 6 6 GLY C C 174.2 . 1 49 6 6 GLY CA C 45.3 . 1 50 6 6 GLY N N 110.8 . 1 51 7 7 CYS H H 8.24 . 1 52 7 7 CYS HA H 4.51 . 1 53 7 7 CYS HB2 H 2.93 . 2 54 7 7 CYS HB3 H 2.93 . 2 55 7 7 CYS C C 174.7 . 1 56 7 7 CYS CA C 58.9 . 1 57 7 7 CYS CB C 28.0 . 1 58 7 7 CYS N N 118.6 . 1 59 8 8 GLN H H 8.56 . 1 60 8 8 GLN HA H 4.31 . 1 61 8 8 GLN HB2 H 1.98 . 2 62 8 8 GLN HB3 H 1.98 . 2 63 8 8 GLN HE21 H 7.51 . 2 64 8 8 GLN HE22 H 6.88 . 2 65 8 8 GLN HG2 H 2.35 . 2 66 8 8 GLN HG3 H 2.35 . 2 67 8 8 GLN C C 171.3 . 1 68 8 8 GLN CA C 55.8 . 1 69 8 8 GLN CB C 29.3 . 1 70 8 8 GLN CG C 33.7 . 1 71 8 8 GLN N N 122.8 . 1 72 9 9 GLN H H 8.41 . 1 73 9 9 GLN HA H 4.31 . 1 74 9 9 GLN HB2 H 2.10 . 2 75 9 9 GLN HB3 H 2.10 . 2 76 9 9 GLN HE21 H 7.53 . 2 77 9 9 GLN HE22 H 6.84 . 2 78 9 9 GLN HG2 H 2.36 . 2 79 9 9 GLN HG3 H 2.36 . 2 80 9 9 GLN C C 175.8 . 1 81 9 9 GLN CA C 55.9 . 1 82 9 9 GLN CB C 29.3 . 1 83 9 9 GLN CG C 33.7 . 1 84 9 9 GLN N N 121.6 . 1 85 10 10 GLN H H 8.50 . 1 86 10 10 GLN HA H 4.29 . 1 87 10 10 GLN HB2 H 1.91 . 2 88 10 10 GLN HB3 H 2.02 . 2 89 10 10 GLN HE21 H 7.48 . 2 90 10 10 GLN HE22 H 6.88 . 2 91 10 10 GLN HG2 H 2.37 . 2 92 10 10 GLN HG3 H 2.37 . 2 93 10 10 GLN C C 175.6 . 1 94 10 10 GLN CA C 56.3 . 1 95 10 10 GLN CB C 30.2 . 1 96 10 10 GLN CG C 33.9 . 1 97 10 10 GLN N N 122.5 . 1 98 11 11 LYS H H 8.40 . 1 99 11 11 LYS HA H 4.29 . 1 100 11 11 LYS HB2 H 1.74 . 2 101 11 11 LYS HB3 H 1.81 . 2 102 11 11 LYS HD2 H 1.66 . 2 103 11 11 LYS HD3 H 1.66 . 2 104 11 11 LYS HE2 H 2.95 . 2 105 11 11 LYS HE3 H 2.95 . 2 106 11 11 LYS HG2 H 1.40 . 2 107 11 11 LYS HG3 H 1.40 . 2 108 11 11 LYS C C 176.3 . 1 109 11 11 LYS CA C 56.5 . 1 110 11 11 LYS CB C 33.0 . 1 111 11 11 LYS CD C 29.0 . 1 112 11 11 LYS CE C 42.1 . 1 113 11 11 LYS CG C 24.6 . 1 114 11 11 LYS N N 123.1 . 1 115 12 12 GLU H H 8.46 . 1 116 12 12 GLU HA H 4.32 . 1 117 12 12 GLU HB2 H 2.09 . 2 118 12 12 GLU HB3 H 2.09 . 2 119 12 12 GLU HG2 H 2.35 . 2 120 12 12 GLU HG3 H 2.35 . 2 121 12 12 GLU C C 176.2 . 1 122 12 12 GLU CA C 55.9 . 1 123 12 12 GLU CB C 30.6 . 1 124 12 12 GLU CG C 36.0 . 1 125 12 12 GLU N N 121.9 . 1 126 13 13 GLU H H 8.45 . 1 127 13 13 GLU HA H 4.29 . 1 128 13 13 GLU HB2 H 2.00 . 2 129 13 13 GLU HB3 H 1.89 . 2 130 13 13 GLU HG2 H 2.23 . 2 131 13 13 GLU HG3 H 2.23 . 2 132 13 13 GLU C C 176.3 . 1 133 13 13 GLU CA C 56.3 . 1 134 13 13 GLU CB C 30.5 . 1 135 13 13 GLU CG C 36.0 . 1 136 13 13 GLU N N 122.5 . 1 137 14 14 THR H H 8.25 . 1 138 14 14 THR HA H 4.26 . 1 139 14 14 THR HB H 3.81 . 1 140 14 14 THR HG2 H 1.16 . 1 141 14 14 THR CA C 60.1 . 1 142 14 14 THR CB C 69.6 . 1 143 14 14 THR CG2 C 21.1 . 1 144 14 14 THR N N 119.3 . 1 145 15 15 PRO HA H 4.16 . 1 146 15 15 PRO HB2 H 0.03 . 2 147 15 15 PRO HB3 H 1.56 . 2 148 15 15 PRO HD2 H 3.63 . 2 149 15 15 PRO HD3 H 3.63 . 2 150 15 15 PRO HG2 H 1.39 . 2 151 15 15 PRO HG3 H 1.62 . 2 152 15 15 PRO C C 179.0 . 1 153 15 15 PRO CA C 63.0 . 1 154 15 15 PRO CB C 32.0 . 1 155 15 15 PRO CD C 50.5 . 1 156 15 15 PRO CG C 27.8 . 1 157 16 16 PHE H H 7.91 . 1 158 16 16 PHE HA H 4.29 . 1 159 16 16 PHE HB2 H 3.27 . 2 160 16 16 PHE HB3 H 3.17 . 2 161 16 16 PHE HD1 H 7.24 . 3 162 16 16 PHE HD2 H 7.24 . 3 163 16 16 PHE HE1 H 7.12 . 3 164 16 16 PHE HE2 H 7.12 . 3 165 16 16 PHE HZ H 7.13 . 1 166 16 16 PHE C C 174.2 . 1 167 16 16 PHE CA C 59.4 . 1 168 16 16 PHE CB C 38.3 . 1 169 16 16 PHE CD1 C 132.4 . 1 170 16 16 PHE CE1 C 130.0 . 1 171 16 16 PHE CZ C 131.5 . 1 172 16 16 PHE N N 120.1 . 1 173 17 17 TYR H H 5.64 . 1 174 17 17 TYR HA H 4.36 . 1 175 17 17 TYR HB2 H 2.20 . 2 176 17 17 TYR HB3 H 1.59 . 2 177 17 17 TYR HD1 H 5.65 . 3 178 17 17 TYR HD2 H 5.65 . 3 179 17 17 TYR HE1 H 6.77 . 3 180 17 17 TYR HE2 H 6.77 . 3 181 17 17 TYR C C 174.9 . 1 182 17 17 TYR CA C 54.8 . 1 183 17 17 TYR CB C 38.3 . 1 184 17 17 TYR CD1 C 132.1 . 1 185 17 17 TYR CE1 C 118.3 . 1 186 17 17 TYR N N 112.8 . 1 187 18 18 TYR H H 6.69 . 1 188 18 18 TYR HA H 4.49 . 1 189 18 18 TYR HB2 H 3.05 . 2 190 18 18 TYR HB3 H 2.86 . 2 191 18 18 TYR HD1 H 6.52 . 3 192 18 18 TYR HD2 H 6.52 . 3 193 18 18 TYR HE1 H 6.71 . 3 194 18 18 TYR HE2 H 6.71 . 3 195 18 18 TYR C C 176.6 . 1 196 18 18 TYR CA C 57.0 . 1 197 18 18 TYR CB C 36.3 . 1 198 18 18 TYR CD1 C 130.4 . 1 199 18 18 TYR CE1 C 117.6 . 1 200 18 18 TYR N N 121.7 . 1 201 19 19 GLY H H 8.48 . 1 202 19 19 GLY HA2 H 3.77 . 2 203 19 19 GLY HA3 H 4.36 . 2 204 19 19 GLY C C 171.7 . 1 205 19 19 GLY CA C 43.7 . 1 206 19 19 GLY N N 109.4 . 1 207 20 20 THR H H 8.29 . 1 208 20 20 THR HA H 5.32 . 1 209 20 20 THR HB H 3.65 . 1 210 20 20 THR HG2 H 1.12 . 1 211 20 20 THR C C 172.7 . 1 212 20 20 THR CA C 62.6 . 1 213 20 20 THR CB C 70.3 . 1 214 20 20 THR CG2 C 21.9 . 1 215 20 20 THR N N 116.9 . 1 216 21 21 TRP H H 9.46 . 1 217 21 21 TRP HA H 5.01 . 1 218 21 21 TRP HB2 H 3.25 . 2 219 21 21 TRP HB3 H 2.99 . 2 220 21 21 TRP HD1 H 7.38 . 1 221 21 21 TRP HE1 H 9.32 . 1 222 21 21 TRP HE3 H 7.06 . 1 223 21 21 TRP HH2 H 7.12 . 1 224 21 21 TRP HZ2 H 7.44 . 1 225 21 21 TRP HZ3 H 7.30 . 1 226 21 21 TRP C C 175.3 . 1 227 21 21 TRP CA C 56.3 . 1 228 21 21 TRP CB C 33.0 . 1 229 21 21 TRP CD1 C 128.4 . 1 230 21 21 TRP CE3 C 119.7 . 1 231 21 21 TRP CH2 C 124.1 . 1 232 21 21 TRP CZ2 C 114.5 . 1 233 21 21 TRP CZ3 C 122.9 . 1 234 21 21 TRP N N 126.5 . 1 235 21 21 TRP NE1 N 128.1 . 1 236 22 22 ASP H H 9.71 . 1 237 22 22 ASP HA H 4.92 . 1 238 22 22 ASP HB2 H 3.10 . 2 239 22 22 ASP HB3 H 2.60 . 2 240 22 22 ASP C C 177.6 . 1 241 22 22 ASP CA C 54.5 . 1 242 22 22 ASP CB C 42.2 . 1 243 22 22 ASP N N 122.4 . 1 244 23 23 GLU H H 8.62 . 1 245 23 23 GLU HA H 4.12 . 1 246 23 23 GLU HB2 H 1.88 . 2 247 23 23 GLU HB3 H 2.37 . 2 248 23 23 GLU HG2 H 2.78 . 2 249 23 23 GLU HG3 H 2.44 . 2 250 23 23 GLU C C 176.9 . 1 251 23 23 GLU CA C 58.5 . 1 252 23 23 GLU CB C 29.4 . 1 253 23 23 GLU CG C 34.9 . 1 254 23 23 GLU N N 123.6 . 1 255 24 24 GLY H H 9.02 . 1 256 24 24 GLY HA2 H 3.92 . 2 257 24 24 GLY HA3 H 4.05 . 2 258 24 24 GLY C C 175.1 . 1 259 24 24 GLY CA C 46.2 . 1 260 24 24 GLY N N 108.0 . 1 261 25 25 ARG H H 8.21 . 1 262 25 25 ARG HA H 4.25 . 1 263 25 25 ARG HB2 H 1.83 . 2 264 25 25 ARG HB3 H 1.68 . 2 265 25 25 ARG HD2 H 3.13 . 2 266 25 25 ARG HD3 H 3.16 . 2 267 25 25 ARG HG2 H 1.56 . 2 268 25 25 ARG HG3 H 1.56 . 2 269 25 25 ARG C C 176.2 . 1 270 25 25 ARG CA C 55.6 . 1 271 25 25 ARG CB C 30.8 . 1 272 25 25 ARG CD C 43.3 . 1 273 25 25 ARG CG C 27.1 . 1 274 25 25 ARG N N 118.3 . 1 275 26 26 ALA H H 8.62 . 1 276 26 26 ALA HA H 4.77 . 1 277 26 26 ALA HB H 1.39 . 1 278 26 26 ALA CA C 53.1 . 1 279 26 26 ALA CB C 18.2 . 1 280 26 26 ALA N N 127.8 . 1 281 27 27 PRO HA H 4.51 . 1 282 27 27 PRO HB2 H 2.36 . 2 283 27 27 PRO HB3 H 2.02 . 2 284 27 27 PRO HD2 H 3.75 . 2 285 27 27 PRO HD3 H 3.75 . 2 286 27 27 PRO HG2 H 2.08 . 2 287 27 27 PRO HG3 H 2.08 . 2 288 27 27 PRO C C 177.4 . 1 289 27 27 PRO CA C 63.2 . 1 290 27 27 PRO CB C 32.3 . 1 291 27 27 PRO CD C 50.5 . 1 292 27 27 PRO CG C 27.2 . 1 293 28 28 GLY H H 8.63 . 1 294 28 28 GLY HA2 H 4.05 . 2 295 28 28 GLY HA3 H 4.29 . 2 296 28 28 GLY CA C 44.6 . 1 297 28 28 GLY N N 110.4 . 1 298 29 29 PRO HA H 4.47 . 1 299 29 29 PRO HB2 H 2.02 . 2 300 29 29 PRO HB3 H 2.34 . 2 301 29 29 PRO HD2 H 3.71 . 2 302 29 29 PRO HD3 H 3.66 . 2 303 29 29 PRO HG2 H 2.04 . 2 304 29 29 PRO HG3 H 2.04 . 2 305 29 29 PRO C C 177.9 . 1 306 29 29 PRO CA C 63.9 . 1 307 29 29 PRO CB C 32.3 . 1 308 29 29 PRO CD C 49.8 . 1 309 29 29 PRO CG C 27.1 . 1 310 30 30 THR H H 8.25 . 1 311 30 30 THR HA H 4.38 . 1 312 30 30 THR HB H 4.35 . 1 313 30 30 THR HG2 H 1.18 . 1 314 30 30 THR C C 174.6 . 1 315 30 30 THR CA C 61.9 . 1 316 30 30 THR CB C 69.4 . 1 317 30 30 THR CG2 C 21.6 . 1 318 30 30 THR N N 110.7 . 1 319 31 31 ASP H H 7.96 . 1 320 31 31 ASP HA H 4.58 . 1 321 31 31 ASP HB2 H 2.75 . 2 322 31 31 ASP HB3 H 2.78 . 2 323 31 31 ASP C C 176.5 . 1 324 31 31 ASP CA C 54.2 . 1 325 31 31 ASP CB C 40.9 . 1 326 31 31 ASP N N 121.6 . 1 327 32 32 GLY H H 8.38 . 1 328 32 32 GLY HA2 H 4.02 . 2 329 32 32 GLY HA3 H 3.91 . 2 330 32 32 GLY C C 173.9 . 1 331 32 32 GLY CA C 45.5 . 1 332 32 32 GLY N N 109.3 . 1 333 33 33 VAL H H 8.06 . 1 334 33 33 VAL HA H 4.18 . 1 335 33 33 VAL HB H 2.05 . 1 336 33 33 VAL HG1 H 0.87 . 2 337 33 33 VAL HG2 H 0.85 . 2 338 33 33 VAL C C 176.1 . 1 339 33 33 VAL CA C 62.9 . 1 340 33 33 VAL CB C 31.8 . 1 341 33 33 VAL CG1 C 21.7 . 1 342 33 33 VAL CG2 C 21.8 . 1 343 33 33 VAL N N 121.2 . 1 344 34 34 LYS H H 9.01 . 1 345 34 34 LYS HA H 4.34 . 1 346 34 34 LYS HB2 H 1.82 . 2 347 34 34 LYS HB3 H 1.69 . 2 348 34 34 LYS HD2 H 1.61 . 2 349 34 34 LYS HD3 H 1.61 . 2 350 34 34 LYS HE2 H 2.94 . 2 351 34 34 LYS HE3 H 2.94 . 2 352 34 34 LYS HG2 H 1.43 . 2 353 34 34 LYS HG3 H 1.50 . 2 354 34 34 LYS C C 176.2 . 1 355 34 34 LYS CA C 56.6 . 1 356 34 34 LYS CB C 33.6 . 1 357 34 34 LYS CD C 28.8 . 1 358 34 34 LYS CE C 41.8 . 1 359 34 34 LYS CG C 24.4 . 1 360 34 34 LYS N N 127.0 . 1 361 35 35 SER H H 7.86 . 1 362 35 35 SER HA H 4.48 . 1 363 35 35 SER HB2 H 3.88 . 2 364 35 35 SER HB3 H 3.94 . 2 365 35 35 SER C C 171.4 . 1 366 35 35 SER CA C 57.4 . 1 367 35 35 SER CB C 64.1 . 1 368 35 35 SER N N 111.4 . 1 369 36 36 ALA H H 8.80 . 1 370 36 36 ALA HA H 5.27 . 1 371 36 36 ALA HB H 1.34 . 1 372 36 36 ALA C C 179.6 . 1 373 36 36 ALA CA C 52.2 . 1 374 36 36 ALA CB C 22.8 . 1 375 36 36 ALA N N 121.6 . 1 376 37 37 THR H H 8.90 . 1 377 37 37 THR HA H 5.63 . 1 378 37 37 THR HB H 4.09 . 1 379 37 37 THR HG2 H 1.12 . 1 380 37 37 THR C C 172.3 . 1 381 37 37 THR CA C 59.2 . 1 382 37 37 THR CB C 72.9 . 1 383 37 37 THR CG2 C 21.7 . 1 384 37 37 THR N N 111.6 . 1 385 38 38 VAL H H 9.31 . 1 386 38 38 VAL HA H 5.11 . 1 387 38 38 VAL HB H 2.29 . 1 388 38 38 VAL HG1 H 0.85 . 2 389 38 38 VAL HG2 H -0.02 . 2 390 38 38 VAL C C 172.6 . 1 391 38 38 VAL CA C 59.3 . 1 392 38 38 VAL CB C 33.9 . 1 393 38 38 VAL CG1 C 20.3 . 1 394 38 38 VAL CG2 C 22.2 . 1 395 38 38 VAL N N 118.5 . 1 396 39 39 THR H H 8.71 . 1 397 39 39 THR HA H 5.61 . 1 398 39 39 THR HB H 3.77 . 1 399 39 39 THR HG2 H 0.99 . 1 400 39 39 THR C C 173.6 . 1 401 39 39 THR CA C 60.8 . 1 402 39 39 THR CB C 71.5 . 1 403 39 39 THR CG2 C 20.8 . 1 404 39 39 THR N N 124.8 . 1 405 40 40 PHE H H 9.21 . 1 406 40 40 PHE HA H 5.15 . 1 407 40 40 PHE HB2 H 3.68 . 2 408 40 40 PHE HB3 H 2.86 . 2 409 40 40 PHE HD1 H 6.92 . 3 410 40 40 PHE HD2 H 6.92 . 3 411 40 40 PHE HE1 H 6.13 . 3 412 40 40 PHE HE2 H 6.13 . 3 413 40 40 PHE HZ H 4.95 . 1 414 40 40 PHE C C 177.1 . 1 415 40 40 PHE CA C 57.5 . 1 416 40 40 PHE CB C 41.6 . 1 417 40 40 PHE CD1 C 131.5 . 1 418 40 40 PHE CE1 C 130.8 . 1 419 40 40 PHE CZ C 128.3 . 1 420 40 40 PHE N N 125.0 . 1 421 41 41 THR H H 8.93 . 1 422 41 41 THR HA H 4.25 . 1 423 41 41 THR HB H 4.56 . 1 424 41 41 THR HG2 H 1.10 . 1 425 41 41 THR C C 173.4 . 1 426 41 41 THR CA C 59.1 . 1 427 41 41 THR CB C 69.9 . 1 428 41 41 THR CG2 C 21.9 . 1 429 41 41 THR N N 116.0 . 1 430 42 42 GLU H H 9.11 . 1 431 42 42 GLU HA H 4.09 . 1 432 42 42 GLU HB2 H 2.04 . 2 433 42 42 GLU HB3 H 1.93 . 2 434 42 42 GLU HG2 H 2.28 . 2 435 42 42 GLU HG3 H 2.28 . 2 436 42 42 GLU C C 175.7 . 1 437 42 42 GLU CA C 59.0 . 1 438 42 42 GLU CB C 29.4 . 1 439 42 42 GLU CG C 35.6 . 1 440 42 42 GLU N N 118.9 . 1 441 43 43 ASP H H 7.84 . 1 442 43 43 ASP HA H 3.94 . 1 443 43 43 ASP HB2 H 2.80 . 2 444 43 43 ASP HB3 H 2.48 . 2 445 43 43 ASP C C 175.3 . 1 446 43 43 ASP CA C 53.9 . 1 447 43 43 ASP CB C 42.6 . 1 448 43 43 ASP N N 112.8 . 1 449 44 44 GLU H H 7.71 . 1 450 44 44 GLU HA H 5.50 . 1 451 44 44 GLU HB2 H 1.87 . 2 452 44 44 GLU HB3 H 1.83 . 2 453 44 44 GLU HG2 H 2.03 . 2 454 44 44 GLU HG3 H 2.15 . 2 455 44 44 GLU C C 173.7 . 1 456 44 44 GLU CA C 55.2 . 1 457 44 44 GLU CB C 34.9 . 1 458 44 44 GLU CG C 35.8 . 1 459 44 44 GLU N N 117.5 . 1 460 45 45 VAL H H 8.92 . 1 461 45 45 VAL HA H 4.49 . 1 462 45 45 VAL HB H 1.91 . 1 463 45 45 VAL HG1 H 0.29 . 2 464 45 45 VAL HG2 H 0.72 . 2 465 45 45 VAL C C 175.5 . 1 466 45 45 VAL CA C 61.3 . 1 467 45 45 VAL CB C 34.3 . 1 468 45 45 VAL CG1 C 21.2 . 1 469 45 45 VAL CG2 C 22.5 . 1 470 45 45 VAL N N 121.6 . 1 471 46 46 VAL H H 8.44 . 1 472 46 46 VAL HA H 4.54 . 1 473 46 46 VAL HB H 1.67 . 1 474 46 46 VAL HG1 H 0.70 . 2 475 46 46 VAL HG2 H 0.49 . 2 476 46 46 VAL C C 175.2 . 1 477 46 46 VAL CA C 60.6 . 1 478 46 46 VAL CB C 34.5 . 1 479 46 46 VAL CG1 C 19.9 . 1 480 46 46 VAL CG2 C 20.8 . 1 481 46 46 VAL N N 125.0 . 1 482 47 47 GLU H H 9.38 . 1 483 47 47 GLU HA H 5.34 . 1 484 47 47 GLU HB2 H 2.09 . 2 485 47 47 GLU HB3 H 1.85 . 2 486 47 47 GLU HG2 H 2.22 . 2 487 47 47 GLU HG3 H 2.40 . 2 488 47 47 GLU C C 174.4 . 1 489 47 47 GLU CA C 55.0 . 1 490 47 47 GLU CB C 33.6 . 1 491 47 47 GLU CG C 36.7 . 1 492 47 47 GLU N N 132.4 . 1 493 48 48 THR H H 9.12 . 1 494 48 48 THR HA H 5.02 . 1 495 48 48 THR HB H 3.94 . 1 496 48 48 THR HG2 H 0.97 . 1 497 48 48 THR C C 173.8 . 1 498 48 48 THR CA C 61.3 . 1 499 48 48 THR CB C 70.9 . 1 500 48 48 THR CG2 C 21.5 . 1 501 48 48 THR N N 117.9 . 1 502 49 49 GLU H H 8.83 . 1 503 49 49 GLU HA H 4.87 . 1 504 49 49 GLU HB2 H 1.87 . 2 505 49 49 GLU HB3 H 1.98 . 2 506 49 49 GLU HG2 H 2.11 . 2 507 49 49 GLU HG3 H 2.20 . 2 508 49 49 GLU C C 174.8 . 1 509 49 49 GLU CA C 55.1 . 1 510 49 49 GLU CB C 33.0 . 1 511 49 49 GLU CG C 36.6 . 1 512 49 49 GLU N N 123.2 . 1 513 50 50 VAL H H 8.66 . 1 514 50 50 VAL HA H 4.27 . 1 515 50 50 VAL HB H 2.05 . 1 516 50 50 VAL HG1 H 0.78 . 2 517 50 50 VAL HG2 H 0.78 . 2 518 50 50 VAL C C 175.3 . 1 519 50 50 VAL CA C 62.3 . 1 520 50 50 VAL CB C 31.8 . 1 521 50 50 VAL CG1 C 21.6 . 1 522 50 50 VAL CG2 C 21.8 . 1 523 50 50 VAL N N 122.9 . 1 524 51 51 MET H H 8.46 . 1 525 51 51 MET HA H 5.06 . 1 526 51 51 MET HB2 H 1.89 . 2 527 51 51 MET HB3 H 2.09 . 2 528 51 51 MET HG2 H 2.50 . 2 529 51 51 MET HG3 H 2.50 . 2 530 51 51 MET C C 176.9 . 1 531 51 51 MET CA C 53.5 . 1 532 51 51 MET CB C 34.7 . 1 533 51 51 MET CG C 32.3 . 1 534 51 51 MET N N 125.8 . 1 535 52 52 GLU H H 9.11 . 1 536 52 52 GLU HA H 4.08 . 1 537 52 52 GLU HB2 H 1.93 . 2 538 52 52 GLU HB3 H 2.02 . 2 539 52 52 GLU HG2 H 2.28 . 2 540 52 52 GLU HG3 H 2.28 . 2 541 52 52 GLU C C 177.7 . 1 542 52 52 GLU CA C 57.9 . 1 543 52 52 GLU CB C 29.5 . 1 544 52 52 GLU CG C 35.5 . 1 545 52 52 GLU N N 126.6 . 1 546 53 53 GLY H H 8.98 . 1 547 53 53 GLY HA2 H 4.26 . 2 548 53 53 GLY HA3 H 3.71 . 2 549 53 53 GLY C C 174.4 . 1 550 53 53 GLY CA C 46.1 . 1 551 53 53 GLY N N 115.1 . 1 552 54 54 ARG H H 7.79 . 1 553 54 54 ARG HA H 4.45 . 1 554 54 54 ARG HB2 H 1.85 . 2 555 54 54 ARG HB3 H 1.58 . 2 556 54 54 ARG HD2 H 3.13 . 2 557 54 54 ARG HD3 H 3.15 . 2 558 54 54 ARG HG2 H 1.63 . 2 559 54 54 ARG HG3 H 1.56 . 2 560 54 54 ARG C C 176.1 . 1 561 54 54 ARG CA C 56.3 . 1 562 54 54 ARG CB C 32.5 . 1 563 54 54 ARG CD C 43.4 . 1 564 54 54 ARG CG C 26.7 . 1 565 54 54 ARG N N 118.8 . 1 566 55 55 GLY H H 8.16 . 1 567 55 55 GLY HA2 H 3.76 . 2 568 55 55 GLY HA3 H 4.19 . 2 569 55 55 GLY C C 173.1 . 1 570 55 55 GLY CA C 44.8 . 1 571 55 55 GLY N N 108.0 . 1 572 56 56 GLU H H 8.53 . 1 573 56 56 GLU HA H 4.53 . 1 574 56 56 GLU HB2 H 1.82 . 2 575 56 56 GLU HB3 H 1.90 . 2 576 56 56 GLU HG2 H 2.03 . 2 577 56 56 GLU HG3 H 2.15 . 2 578 56 56 GLU C C 176.3 . 1 579 56 56 GLU CA C 56.8 . 1 580 56 56 GLU CB C 30.6 . 1 581 56 56 GLU CG C 37.0 . 1 582 56 56 GLU N N 121.9 . 1 583 57 57 VAL H H 9.29 . 1 584 57 57 VAL HA H 4.21 . 1 585 57 57 VAL HB H 2.09 . 1 586 57 57 VAL HG1 H 0.86 . 2 587 57 57 VAL HG2 H 0.87 . 2 588 57 57 VAL C C 174.3 . 1 589 57 57 VAL CA C 61.6 . 1 590 57 57 VAL CB C 34.5 . 1 591 57 57 VAL CG1 C 20.8 . 1 592 57 57 VAL CG2 C 20.7 . 1 593 57 57 VAL N N 126.6 . 1 594 58 58 GLN H H 8.62 . 1 595 58 58 GLN HA H 4.65 . 1 596 58 58 GLN HB2 H 1.94 . 2 597 58 58 GLN HB3 H 1.99 . 2 598 58 58 GLN HE21 H 7.58 . 2 599 58 58 GLN HE22 H 6.77 . 2 600 58 58 GLN HG2 H 2.42 . 2 601 58 58 GLN HG3 H 2.20 . 2 602 58 58 GLN C C 175.9 . 1 603 58 58 GLN CA C 56.2 . 1 604 58 58 GLN CB C 30.0 . 1 605 58 58 GLN CG C 34.5 . 1 606 58 58 GLN N N 126.6 . 1 607 58 58 GLN NE2 N 112.9 . 1 608 59 59 LEU H H 8.63 . 1 609 59 59 LEU HA H 4.49 . 1 610 59 59 LEU HB2 H 1.70 . 2 611 59 59 LEU HB3 H 1.89 . 2 612 59 59 LEU HD1 H 0.82 . 2 613 59 59 LEU HD2 H 0.81 . 2 614 59 59 LEU HG H 1.65 . 1 615 59 59 LEU CA C 54.5 . 1 616 59 59 LEU CB C 38.9 . 1 617 59 59 LEU CD1 C 24.6 . 1 618 59 59 LEU CD2 C 23.1 . 1 619 59 59 LEU CG C 28.7 . 1 620 59 59 LEU N N 131.0 . 1 621 60 60 PRO HA H 4.29 . 1 622 60 60 PRO HB2 H 1.80 . 2 623 60 60 PRO HB3 H 2.36 . 2 624 60 60 PRO HD2 H 3.54 . 2 625 60 60 PRO HD3 H 3.75 . 2 626 60 60 PRO HG2 H 1.97 . 2 627 60 60 PRO HG3 H 2.11 . 2 628 60 60 PRO C C 177.1 . 1 629 60 60 PRO CA C 63.6 . 1 630 60 60 PRO CB C 31.8 . 1 631 60 60 PRO CD C 50.3 . 1 632 60 60 PRO CG C 28.0 . 1 633 61 61 PHE H H 8.06 . 1 634 61 61 PHE HA H 4.55 . 1 635 61 61 PHE HB2 H 2.93 . 2 636 61 61 PHE HB3 H 3.02 . 2 637 61 61 PHE HD1 H 7.18 . 3 638 61 61 PHE HD2 H 7.18 . 3 639 61 61 PHE HE1 H 7.28 . 3 640 61 61 PHE HE2 H 7.28 . 3 641 61 61 PHE HZ H 6.14 . 1 642 61 61 PHE C C 175.0 . 1 643 61 61 PHE CA C 57.5 . 1 644 61 61 PHE CB C 39.4 . 1 645 61 61 PHE CD1 C 131.7 . 1 646 61 61 PHE CE1 C 131.3 . 1 647 61 61 PHE N N 122.1 . 1 648 62 62 MET H H 8.71 . 1 649 62 62 MET HA H 4.71 . 1 650 62 62 MET HB2 H 1.64 . 2 651 62 62 MET HB3 H 1.91 . 2 652 62 62 MET HG2 H 2.17 . 2 653 62 62 MET HG3 H 1.36 . 2 654 62 62 MET C C 174.9 . 1 655 62 62 MET CA C 55.1 . 1 656 62 62 MET CB C 35.4 . 1 657 62 62 MET CG C 30.6 . 1 658 62 62 MET N N 120.8 . 1 659 63 63 ALA H H 9.03 . 1 660 63 63 ALA HA H 5.36 . 1 661 63 63 ALA HB H 1.62 . 1 662 63 63 ALA C C 177.4 . 1 663 63 63 ALA CA C 51.7 . 1 664 63 63 ALA CB C 20.4 . 1 665 63 63 ALA N N 128.5 . 1 666 64 64 TYR H H 8.00 . 1 667 64 64 TYR HA H 5.80 . 1 668 64 64 TYR HB2 H 2.61 . 2 669 64 64 TYR HB3 H 2.61 . 2 670 64 64 TYR HD1 H 6.64 . 3 671 64 64 TYR HD2 H 6.64 . 3 672 64 64 TYR HE1 H 6.75 . 3 673 64 64 TYR HE2 H 6.75 . 3 674 64 64 TYR HH H 9.50 . 1 675 64 64 TYR C C 173.5 . 1 676 64 64 TYR CA C 56.0 . 1 677 64 64 TYR CB C 43.6 . 1 678 64 64 TYR CD1 C 132.9 . 1 679 64 64 TYR CE1 C 117.4 . 1 680 64 64 TYR N N 116.5 . 1 681 65 65 LYS H H 9.02 . 1 682 65 65 LYS HA H 4.62 . 1 683 65 65 LYS HB2 H 1.81 . 2 684 65 65 LYS HB3 H 1.81 . 2 685 65 65 LYS HD2 H 1.73 . 2 686 65 65 LYS HD3 H 1.73 . 2 687 65 65 LYS HE2 H 3.02 . 2 688 65 65 LYS HE3 H 3.02 . 2 689 65 65 LYS HG2 H 1.49 . 2 690 65 65 LYS HG3 H 1.35 . 2 691 65 65 LYS C C 175.3 . 1 692 65 65 LYS CA C 54.5 . 1 693 65 65 LYS CB C 36.7 . 1 694 65 65 LYS CD C 29.4 . 1 695 65 65 LYS CE C 42.1 . 1 696 65 65 LYS CG C 24.0 . 1 697 65 65 LYS N N 118.6 . 1 698 66 66 VAL H H 9.12 . 1 699 66 66 VAL HA H 4.20 . 1 700 66 66 VAL HB H 2.12 . 1 701 66 66 VAL HG1 H 1.24 . 2 702 66 66 VAL HG2 H 1.01 . 2 703 66 66 VAL C C 176.9 . 1 704 66 66 VAL CA C 64.2 . 1 705 66 66 VAL CB C 32.2 . 1 706 66 66 VAL CG1 C 22.2 . 1 707 66 66 VAL CG2 C 21.5 . 1 708 66 66 VAL N N 124.5 . 1 709 67 67 ILE H H 9.24 . 1 710 67 67 ILE HA H 4.58 . 1 711 67 67 ILE HB H 1.96 . 1 712 67 67 ILE HD1 H 0.77 . 1 713 67 67 ILE HG12 H 1.30 . 2 714 67 67 ILE HG13 H 1.00 . 2 715 67 67 ILE HG2 H 0.93 . 1 716 67 67 ILE C C 176.3 . 1 717 67 67 ILE CA C 61.1 . 1 718 67 67 ILE CB C 39.1 . 1 719 67 67 ILE CD1 C 12.8 . 1 720 67 67 ILE CG1 C 26.8 . 1 721 67 67 ILE CG2 C 18.4 . 1 722 67 67 ILE N N 123.7 . 1 723 68 68 SER H H 7.87 . 1 724 68 68 SER HA H 4.62 . 1 725 68 68 SER HB2 H 3.87 . 2 726 68 68 SER HB3 H 3.88 . 2 727 68 68 SER C C 175.9 . 1 728 68 68 SER CA C 58.4 . 1 729 68 68 SER CB C 64.9 . 1 730 68 68 SER N N 114.4 . 1 731 69 69 GLN H H 8.40 . 1 732 69 69 GLN HA H 5.13 . 1 733 69 69 GLN HB2 H 1.99 . 2 734 69 69 GLN HB3 H 2.10 . 2 735 69 69 GLN HE21 H 7.48 . 2 736 69 69 GLN HE22 H 6.92 . 2 737 69 69 GLN HG2 H 2.36 . 2 738 69 69 GLN HG3 H 2.28 . 2 739 69 69 GLN C C 175.4 . 1 740 69 69 GLN CA C 54.7 . 1 741 69 69 GLN CB C 30.9 . 1 742 69 69 GLN CG C 33.7 . 1 743 69 69 GLN N N 121.1 . 1 744 69 69 GLN NE2 N 111.4 . 1 745 70 70 SER H H 8.71 . 1 746 70 70 SER HA H 4.84 . 1 747 70 70 SER HB2 H 4.06 . 2 748 70 70 SER HB3 H 3.97 . 2 749 70 70 SER C C 176.8 . 1 750 70 70 SER CA C 58.2 . 1 751 70 70 SER CB C 64.3 . 1 752 70 70 SER N N 119.9 . 1 753 71 71 THR H H 8.79 . 1 754 71 71 THR HA H 4.13 . 1 755 71 71 THR HB H 4.33 . 1 756 71 71 THR HG2 H 1.33 . 1 757 71 71 THR C C 175.2 . 1 758 71 71 THR CA C 64.6 . 1 759 71 71 THR CB C 68.6 . 1 760 71 71 THR CG2 C 22.0 . 1 761 71 71 THR N N 117.2 . 1 762 72 72 ASP H H 8.08 . 1 763 72 72 ASP HA H 4.56 . 1 764 72 72 ASP HB2 H 2.60 . 2 765 72 72 ASP HB3 H 2.97 . 2 766 72 72 ASP C C 176.8 . 1 767 72 72 ASP CA C 53.6 . 1 768 72 72 ASP CB C 40.0 . 1 769 72 72 ASP N N 118.9 . 1 770 73 73 GLY H H 8.04 . 1 771 73 73 GLY HA2 H 4.22 . 2 772 73 73 GLY HA3 H 3.71 . 2 773 73 73 GLY C C 174.6 . 1 774 73 73 GLY CA C 45.2 . 1 775 73 73 GLY N N 108.2 . 1 776 74 74 SER H H 8.14 . 1 777 74 74 SER HA H 4.85 . 1 778 74 74 SER HB2 H 3.77 . 2 779 74 74 SER HB3 H 3.85 . 2 780 74 74 SER C C 173.2 . 1 781 74 74 SER CA C 59.0 . 1 782 74 74 SER CB C 64.0 . 1 783 74 74 SER N N 117.3 . 1 784 75 75 ILE H H 9.18 . 1 785 75 75 ILE HA H 4.85 . 1 786 75 75 ILE HB H 1.75 . 1 787 75 75 ILE HD1 H 0.84 . 1 788 75 75 ILE HG12 H 1.39 . 2 789 75 75 ILE HG13 H 1.54 . 2 790 75 75 ILE HG2 H 0.81 . 1 791 75 75 ILE C C 174.3 . 1 792 75 75 ILE CA C 58.9 . 1 793 75 75 ILE CB C 41.1 . 1 794 75 75 ILE CD1 C 12.8 . 1 795 75 75 ILE CG1 C 27.3 . 1 796 75 75 ILE CG2 C 17.7 . 1 797 75 75 ILE N N 123.3 . 1 798 76 76 GLU H H 8.63 . 1 799 76 76 GLU HA H 5.24 . 1 800 76 76 GLU HB2 H 2.08 . 2 801 76 76 GLU HB3 H 1.77 . 2 802 76 76 GLU HG2 H 2.22 . 2 803 76 76 GLU HG3 H 2.03 . 2 804 76 76 GLU C C 175.7 . 1 805 76 76 GLU CA C 54.4 . 1 806 76 76 GLU CB C 32.5 . 1 807 76 76 GLU CG C 36.9 . 1 808 76 76 GLU N N 126.6 . 1 809 77 77 ILE H H 9.16 . 1 810 77 77 ILE HA H 5.27 . 1 811 77 77 ILE HB H 1.59 . 1 812 77 77 ILE HD1 H 0.03 . 1 813 77 77 ILE HG12 H 0.83 . 2 814 77 77 ILE HG13 H 0.60 . 2 815 77 77 ILE HG2 H 0.47 . 1 816 77 77 ILE C C 173.3 . 1 817 77 77 ILE CA C 58.6 . 1 818 77 77 ILE CB C 41.0 . 1 819 77 77 ILE CD1 C 11.6 . 1 820 77 77 ILE CG1 C 25.7 . 1 821 77 77 ILE CG2 C 18.4 . 1 822 77 77 ILE N N 120.0 . 1 823 78 78 GLN H H 9.06 . 1 824 78 78 GLN HA H 4.99 . 1 825 78 78 GLN HB2 H 2.10 . 2 826 78 78 GLN HB3 H 2.10 . 2 827 78 78 GLN HE21 H 7.29 . 2 828 78 78 GLN HE22 H 6.95 . 2 829 78 78 GLN HG2 H 2.15 . 2 830 78 78 GLN HG3 H 2.60 . 2 831 78 78 GLN C C 174.6 . 1 832 78 78 GLN CA C 53.7 . 1 833 78 78 GLN CB C 34.1 . 1 834 78 78 GLN CG C 34.1 . 1 835 78 78 GLN N N 119.9 . 1 836 78 78 GLN NE2 N 112.9 . 1 837 79 79 TYR H H 8.73 . 1 838 79 79 TYR HA H 5.32 . 1 839 79 79 TYR HB2 H 3.33 . 2 840 79 79 TYR HB3 H 2.72 . 2 841 79 79 TYR HD1 H 7.03 . 3 842 79 79 TYR HD2 H 7.03 . 3 843 79 79 TYR HE1 H 6.55 . 3 844 79 79 TYR HE2 H 6.55 . 3 845 79 79 TYR HH H 9.34 . 1 846 79 79 TYR C C 175.0 . 1 847 79 79 TYR CA C 58.4 . 1 848 79 79 TYR CB C 40.2 . 1 849 79 79 TYR CD1 C 132.4 . 1 850 79 79 TYR CE1 C 117.4 . 1 851 79 79 TYR N N 125.7 . 1 852 80 80 LEU H H 7.89 . 1 853 80 80 LEU HA H 4.99 . 1 854 80 80 LEU HB2 H 1.70 . 2 855 80 80 LEU HB3 H 1.61 . 2 856 80 80 LEU HD1 H 0.90 . 2 857 80 80 LEU HD2 H 0.84 . 2 858 80 80 LEU HG H 1.66 . 1 859 80 80 LEU C C 179.6 . 1 860 80 80 LEU CA C 52.7 . 1 861 80 80 LEU CB C 45.1 . 1 862 80 80 LEU CD1 C 22.4 . 1 863 80 80 LEU CD2 C 25.5 . 1 864 80 80 LEU CG C 27.3 . 1 865 80 80 LEU N N 115.4 . 1 866 81 81 GLY H H 8.93 . 1 867 81 81 GLY HA2 H 3.73 . 2 868 81 81 GLY HA3 H 4.30 . 2 869 81 81 GLY CA C 45.0 . 1 870 81 81 GLY N N 111.3 . 1 871 82 82 PRO HA H 4.37 . 1 872 82 82 PRO HB2 H 2.16 . 2 873 82 82 PRO HB3 H 1.37 . 2 874 82 82 PRO HD2 H 3.98 . 2 875 82 82 PRO HD3 H 3.79 . 2 876 82 82 PRO HG2 H 1.65 . 2 877 82 82 PRO HG3 H 1.93 . 2 878 82 82 PRO C C 176.2 . 1 879 82 82 PRO CA C 64.1 . 1 880 82 82 PRO CB C 31.7 . 1 881 82 82 PRO CD C 51.0 . 1 882 82 82 PRO CG C 26.6 . 1 883 83 83 TYR H H 7.12 . 1 884 83 83 TYR HA H 4.50 . 1 885 83 83 TYR HB2 H 3.21 . 2 886 83 83 TYR HB3 H 2.79 . 2 887 83 83 TYR HD1 H 7.18 . 3 888 83 83 TYR HD2 H 7.18 . 3 889 83 83 TYR HE1 H 6.86 . 3 890 83 83 TYR HE2 H 6.86 . 3 891 83 83 TYR C C 175.6 . 1 892 83 83 TYR CA C 57.4 . 1 893 83 83 TYR CB C 39.4 . 1 894 83 83 TYR CD1 C 132.6 . 1 895 83 83 TYR CE1 C 118.6 . 1 896 83 83 TYR N N 114.6 . 1 897 84 84 TYR H H 7.38 . 1 898 84 84 TYR HA H 4.66 . 1 899 84 84 TYR HB2 H 3.31 . 2 900 84 84 TYR HB3 H 2.99 . 2 901 84 84 TYR HD1 H 7.34 . 3 902 84 84 TYR HD2 H 7.34 . 3 903 84 84 TYR HE1 H 6.83 . 3 904 84 84 TYR HE2 H 6.83 . 3 905 84 84 TYR CA C 58.0 . 1 906 84 84 TYR CB C 39.4 . 1 907 84 84 TYR CD1 C 133.5 . 1 908 84 84 TYR CE1 C 118.7 . 1 909 84 84 TYR N N 124.8 . 1 910 85 85 PRO HA H 3.78 . 1 911 85 85 PRO HB2 H 0.59 . 2 912 85 85 PRO HB3 H 1.93 . 2 913 85 85 PRO HD2 H 3.26 . 2 914 85 85 PRO HD3 H 3.51 . 2 915 85 85 PRO HG2 H 1.73 . 2 916 85 85 PRO HG3 H 1.42 . 2 917 85 85 PRO C C 175.4 . 1 918 85 85 PRO CA C 63.7 . 1 919 85 85 PRO CB C 31.7 . 1 920 85 85 PRO CD C 48.5 . 1 921 85 85 PRO CG C 23.6 . 1 922 86 86 LEU H H 8.55 . 1 923 86 86 LEU HA H 4.09 . 1 924 86 86 LEU HB2 H 1.88 . 2 925 86 86 LEU HB3 H 1.99 . 2 926 86 86 LEU HD1 H 0.86 . 2 927 86 86 LEU HD2 H 1.11 . 2 928 86 86 LEU HG H 1.81 . 1 929 86 86 LEU C C 171.8 . 1 930 86 86 LEU CA C 57.6 . 1 931 86 86 LEU CB C 42.5 . 1 932 86 86 LEU CD1 C 25.1 . 1 933 86 86 LEU CD2 C 24.0 . 1 934 86 86 LEU CG C 26.7 . 1 935 86 86 LEU N N 128.7 . 1 936 87 87 LYS H H 8.06 . 1 937 87 87 LYS HA H 5.39 . 1 938 87 87 LYS HB2 H 2.00 . 2 939 87 87 LYS HB3 H 1.72 . 2 940 87 87 LYS HD2 H 1.57 . 2 941 87 87 LYS HD3 H 1.68 . 2 942 87 87 LYS HE2 H 2.92 . 2 943 87 87 LYS HE3 H 2.77 . 2 944 87 87 LYS HG2 H 1.76 . 2 945 87 87 LYS HG3 H 1.31 . 2 946 87 87 LYS C C 176.2 . 1 947 87 87 LYS CA C 54.9 . 1 948 87 87 LYS CB C 37.3 . 1 949 87 87 LYS CD C 29.9 . 1 950 87 87 LYS CE C 42.0 . 1 951 87 87 LYS CG C 25.2 . 1 952 87 87 LYS N N 122.2 . 1 953 88 88 SER H H 8.55 . 1 954 88 88 SER HA H 5.00 . 1 955 88 88 SER HB2 H 4.17 . 2 956 88 88 SER HB3 H 3.65 . 2 957 88 88 SER HG H 3.86 . 1 958 88 88 SER C C 172.7 . 1 959 88 88 SER CA C 57.4 . 1 960 88 88 SER CB C 66.0 . 1 961 88 88 SER N N 113.0 . 1 962 89 89 THR H H 8.59 . 1 963 89 89 THR HA H 5.46 . 1 964 89 89 THR HB H 3.99 . 1 965 89 89 THR HG2 H 1.15 . 1 966 89 89 THR C C 170.9 . 1 967 89 89 THR CA C 61.1 . 1 968 89 89 THR CB C 71.7 . 1 969 89 89 THR CG2 C 21.9 . 1 970 89 89 THR N N 116.1 . 1 971 90 90 LEU H H 9.19 . 1 972 90 90 LEU HA H 5.28 . 1 973 90 90 LEU HB2 H 1.22 . 2 974 90 90 LEU HB3 H 0.76 . 2 975 90 90 LEU HD1 H -0.02 . 2 976 90 90 LEU HD2 H -0.55 . 2 977 90 90 LEU HG H 0.98 . 1 978 90 90 LEU C C 175.6 . 1 979 90 90 LEU CA C 53.0 . 1 980 90 90 LEU CB C 44.9 . 1 981 90 90 LEU CD1 C 24.2 . 1 982 90 90 LEU CD2 C 24.1 . 1 983 90 90 LEU CG C 26.5 . 1 984 90 90 LEU N N 126.2 . 1 985 91 91 LYS H H 8.89 . 1 986 91 91 LYS HA H 4.70 . 1 987 91 91 LYS HB2 H 1.64 . 2 988 91 91 LYS HB3 H 1.53 . 2 989 91 91 LYS HD2 H 1.47 . 2 990 91 91 LYS HD3 H 1.47 . 2 991 91 91 LYS HE2 H 2.78 . 2 992 91 91 LYS HE3 H 2.78 . 2 993 91 91 LYS HG2 H 1.14 . 2 994 91 91 LYS HG3 H 1.34 . 2 995 91 91 LYS C C 174.3 . 1 996 91 91 LYS CA C 55.2 . 1 997 91 91 LYS CB C 36.9 . 1 998 91 91 LYS CD C 29.5 . 1 999 91 91 LYS CE C 41.8 . 1 1000 91 91 LYS CG C 24.9 . 1 1001 91 91 LYS N N 119.5 . 1 1002 92 92 ARG H H 8.30 . 1 1003 92 92 ARG HA H 3.91 . 1 1004 92 92 ARG HB2 H 1.02 . 2 1005 92 92 ARG HB3 H 1.51 . 2 1006 92 92 ARG HD2 H 2.80 . 2 1007 92 92 ARG HD3 H 2.91 . 2 1008 92 92 ARG HG2 H 0.81 . 2 1009 92 92 ARG HG3 H 1.13 . 2 1010 92 92 ARG C C 176.8 . 1 1011 92 92 ARG CA C 57.3 . 1 1012 92 92 ARG CB C 30.5 . 1 1013 92 92 ARG CD C 43.5 . 1 1014 92 92 ARG CG C 27.0 . 1 1015 92 92 ARG N N 124.1 . 1 1016 93 93 GLY H H 8.10 . 1 1017 93 93 GLY HA2 H 4.32 . 2 1018 93 93 GLY HA3 H 3.63 . 2 1019 93 93 GLY C C 174.2 . 1 1020 93 93 GLY CA C 43.0 . 1 1021 93 93 GLY N N 113.1 . 1 1022 94 94 GLU H H 8.31 . 1 1023 94 94 GLU HA H 4.17 . 1 1024 94 94 GLU HB2 H 1.88 . 2 1025 94 94 GLU HB3 H 1.96 . 2 1026 94 94 GLU HG2 H 2.28 . 2 1027 94 94 GLU HG3 H 2.28 . 2 1028 94 94 GLU C C 178.5 . 1 1029 94 94 GLU CA C 56.6 . 1 1030 94 94 GLU CB C 30.1 . 1 1031 94 94 GLU CG C 36.2 . 1 1032 94 94 GLU N N 118.4 . 1 1033 95 95 ASN H H 9.40 . 1 1034 95 95 ASN HA H 4.46 . 1 1035 95 95 ASN HB2 H 2.86 . 2 1036 95 95 ASN HB3 H 3.06 . 2 1037 95 95 ASN HD21 H 7.68 . 2 1038 95 95 ASN HD22 H 6.97 . 2 1039 95 95 ASN C C 175.5 . 1 1040 95 95 ASN CA C 54.0 . 1 1041 95 95 ASN CB C 37.4 . 1 1042 95 95 ASN N N 118.5 . 1 1043 95 95 ASN ND2 N 113.9 . 1 1044 96 96 GLY H H 8.52 . 1 1045 96 96 GLY HA2 H 4.18 . 2 1046 96 96 GLY HA3 H 4.00 . 2 1047 96 96 GLY C C 176.4 . 1 1048 96 96 GLY CA C 46.6 . 1 1049 96 96 GLY N N 104.5 . 1 1050 97 97 THR H H 7.14 . 1 1051 97 97 THR HA H 5.00 . 1 1052 97 97 THR HB H 4.26 . 1 1053 97 97 THR HG2 H 1.29 . 1 1054 97 97 THR C C 174.0 . 1 1055 97 97 THR CA C 61.3 . 1 1056 97 97 THR CB C 72.5 . 1 1057 97 97 THR CG2 C 22.2 . 1 1058 97 97 THR N N 110.6 . 1 1059 98 98 LEU H H 8.62 . 1 1060 98 98 LEU HA H 4.55 . 1 1061 98 98 LEU HB2 H -0.41 . 2 1062 98 98 LEU HB3 H 0.37 . 2 1063 98 98 LEU HD1 H 0.56 . 2 1064 98 98 LEU HD2 H -0.67 . 2 1065 98 98 LEU HG H 0.60 . 1 1066 98 98 LEU C C 174.3 . 1 1067 98 98 LEU CA C 53.8 . 1 1068 98 98 LEU CB C 43.6 . 1 1069 98 98 LEU CD1 C 23.7 . 1 1070 98 98 LEU CD2 C 24.6 . 1 1071 98 98 LEU CG C 26.5 . 1 1072 98 98 LEU N N 123.5 . 1 1073 99 99 ILE H H 9.06 . 1 1074 99 99 ILE HA H 4.97 . 1 1075 99 99 ILE HB H 1.74 . 1 1076 99 99 ILE HD1 H 0.73 . 1 1077 99 99 ILE HG12 H 1.31 . 2 1078 99 99 ILE HG13 H 1.07 . 2 1079 99 99 ILE HG2 H 0.72 . 1 1080 99 99 ILE C C 174.7 . 1 1081 99 99 ILE CA C 59.7 . 1 1082 99 99 ILE CB C 37.8 . 1 1083 99 99 ILE CD1 C 13.4 . 1 1084 99 99 ILE CG1 C 27.4 . 1 1085 99 99 ILE CG2 C 17.3 . 1 1086 99 99 ILE N N 126.8 . 1 1087 100 100 TRP H H 9.12 . 1 1088 100 100 TRP HA H 5.71 . 1 1089 100 100 TRP HB2 H 3.40 . 2 1090 100 100 TRP HB3 H 2.53 . 2 1091 100 100 TRP HD1 H 7.12 . 1 1092 100 100 TRP HE1 H 9.61 . 1 1093 100 100 TRP HE3 H 7.71 . 1 1094 100 100 TRP HH2 H 6.74 . 1 1095 100 100 TRP HZ2 H 7.40 . 1 1096 100 100 TRP HZ3 H 6.78 . 1 1097 100 100 TRP C C 175.3 . 1 1098 100 100 TRP CA C 52.7 . 1 1099 100 100 TRP CB C 32.3 . 1 1100 100 100 TRP CD1 C 125.7 . 1 1101 100 100 TRP CE3 C 120.3 . 1 1102 100 100 TRP CH2 C 124.6 . 1 1103 100 100 TRP CZ2 C 114.7 . 1 1104 100 100 TRP CZ3 C 121.3 . 1 1105 100 100 TRP N N 130.2 . 1 1106 100 100 TRP NE1 N 128.3 . 1 1107 101 101 GLU H H 9.37 . 1 1108 101 101 GLU HA H 5.18 . 1 1109 101 101 GLU HB2 H 1.99 . 2 1110 101 101 GLU HB3 H 1.83 . 2 1111 101 101 GLU HG2 H 2.00 . 2 1112 101 101 GLU HG3 H 1.90 . 2 1113 101 101 GLU C C 173.9 . 1 1114 101 101 GLU CA C 54.6 . 1 1115 101 101 GLU CB C 31.5 . 1 1116 101 101 GLU CG C 36.4 . 1 1117 101 101 GLU N N 130.1 . 1 1118 102 102 GLN H H 8.17 . 1 1119 102 102 GLN HA H 4.54 . 1 1120 102 102 GLN HB2 H 1.56 . 2 1121 102 102 GLN HB3 H 1.61 . 2 1122 102 102 GLN HE21 H 7.14 . 2 1123 102 102 GLN HE22 H 6.52 . 2 1124 102 102 GLN HG2 H 1.87 . 2 1125 102 102 GLN HG3 H 2.01 . 2 1126 102 102 GLN C C 175.5 . 1 1127 102 102 GLN CA C 55.7 . 1 1128 102 102 GLN CB C 31.8 . 1 1129 102 102 GLN CG C 33.4 . 1 1130 102 102 GLN N N 125.0 . 1 1131 102 102 GLN NE2 N 111.7 . 1 1132 103 103 ASN H H 9.92 . 1 1133 103 103 ASN HA H 4.39 . 1 1134 103 103 ASN HB2 H 2.58 . 2 1135 103 103 ASN HB3 H 3.13 . 2 1136 103 103 ASN HD21 H 7.64 . 2 1137 103 103 ASN HD22 H 6.76 . 2 1138 103 103 ASN C C 174.9 . 1 1139 103 103 ASN CA C 54.1 . 1 1140 103 103 ASN CB C 37.8 . 1 1141 103 103 ASN N N 125.4 . 1 1142 103 103 ASN ND2 N 112.1 . 1 1143 104 104 GLY H H 8.81 . 1 1144 104 104 GLY HA2 H 4.08 . 2 1145 104 104 GLY HA3 H 3.59 . 2 1146 104 104 GLY C C 173.8 . 1 1147 104 104 GLY CA C 45.5 . 1 1148 104 104 GLY N N 104.7 . 1 1149 105 105 GLN H H 7.71 . 1 1150 105 105 GLN HA H 4.53 . 1 1151 105 105 GLN HB2 H 1.95 . 2 1152 105 105 GLN HB3 H 1.95 . 2 1153 105 105 GLN HE21 H 7.45 . 2 1154 105 105 GLN HE22 H 6.82 . 2 1155 105 105 GLN HG2 H 2.17 . 2 1156 105 105 GLN HG3 H 2.27 . 2 1157 105 105 GLN C C 174.4 . 1 1158 105 105 GLN CA C 53.8 . 1 1159 105 105 GLN CB C 30.5 . 1 1160 105 105 GLN CG C 33.4 . 1 1161 105 105 GLN N N 119.3 . 1 1162 105 105 GLN NE2 N 112.2 . 1 1163 106 106 ARG H H 8.78 . 1 1164 106 106 ARG HA H 4.78 . 1 1165 106 106 ARG HB2 H 1.61 . 2 1166 106 106 ARG HB3 H 1.64 . 2 1167 106 106 ARG HD2 H 3.06 . 2 1168 106 106 ARG HD3 H 3.06 . 2 1169 106 106 ARG HG2 H 1.30 . 2 1170 106 106 ARG HG3 H 1.30 . 2 1171 106 106 ARG C C 175.2 . 1 1172 106 106 ARG CA C 56.0 . 1 1173 106 106 ARG CB C 32.4 . 1 1174 106 106 ARG CD C 43.4 . 1 1175 106 106 ARG CG C 27.7 . 1 1176 106 106 ARG N N 124.7 . 1 1177 107 107 LYS H H 8.78 . 1 1178 107 107 LYS HA H 4.75 . 1 1179 107 107 LYS HB2 H 1.96 . 2 1180 107 107 LYS HB3 H 1.96 . 2 1181 107 107 LYS HD2 H 1.71 . 2 1182 107 107 LYS HD3 H 1.56 . 2 1183 107 107 LYS HE2 H 2.81 . 2 1184 107 107 LYS HE3 H 2.71 . 2 1185 107 107 LYS HG2 H 1.35 . 2 1186 107 107 LYS HG3 H 1.43 . 2 1187 107 107 LYS C C 175.0 . 1 1188 107 107 LYS CA C 55.9 . 1 1189 107 107 LYS CB C 35.7 . 1 1190 107 107 LYS CD C 29.9 . 1 1191 107 107 LYS CE C 42.2 . 1 1192 107 107 LYS CG C 25.5 . 1 1193 107 107 LYS N N 126.8 . 1 1194 108 108 THR H H 8.73 . 1 1195 108 108 THR HA H 4.77 . 1 1196 108 108 THR HB H 4.07 . 1 1197 108 108 THR HG2 H 1.14 . 1 1198 108 108 THR C C 174.8 . 1 1199 108 108 THR CA C 63.2 . 1 1200 108 108 THR CB C 68.8 . 1 1201 108 108 THR CG2 C 21.0 . 1 1202 108 108 THR N N 120.9 . 1 1203 109 109 MET H H 9.35 . 1 1204 109 109 MET HA H 5.18 . 1 1205 109 109 MET HB2 H 2.20 . 2 1206 109 109 MET HB3 H 2.44 . 2 1207 109 109 MET HG2 H 2.73 . 2 1208 109 109 MET HG3 H 2.35 . 2 1209 109 109 MET C C 175.3 . 1 1210 109 109 MET CA C 55.8 . 1 1211 109 109 MET CB C 36.8 . 1 1212 109 109 MET CG C 31.7 . 1 1213 109 109 MET N N 125.5 . 1 1214 110 110 THR H H 8.14 . 1 1215 110 110 THR HA H 5.10 . 1 1216 110 110 THR HB H 4.27 . 1 1217 110 110 THR HG2 H 1.36 . 1 1218 110 110 THR C C 174.1 . 1 1219 110 110 THR CA C 60.2 . 1 1220 110 110 THR CB C 71.2 . 1 1221 110 110 THR CG2 C 21.8 . 1 1222 110 110 THR N N 112.7 . 1 1223 111 111 ARG H H 9.28 . 1 1224 111 111 ARG HA H 3.52 . 1 1225 111 111 ARG HB2 H 1.35 . 2 1226 111 111 ARG HB3 H 1.41 . 2 1227 111 111 ARG HD2 H 2.81 . 2 1228 111 111 ARG HD3 H 2.81 . 2 1229 111 111 ARG HG2 H 0.85 . 2 1230 111 111 ARG HG3 H 0.76 . 2 1231 111 111 ARG C C 170.3 . 1 1232 111 111 ARG CA C 57.3 . 1 1233 111 111 ARG CB C 30.6 . 1 1234 111 111 ARG CD C 42.7 . 1 1235 111 111 ARG CG C 27.4 . 1 1236 111 111 ARG N N 127.4 . 1 1237 112 112 ILE H H 8.34 . 1 1238 112 112 ILE HA H 4.20 . 1 1239 112 112 ILE HB H 1.53 . 1 1240 112 112 ILE HD1 H 0.81 . 1 1241 112 112 ILE HG12 H 1.00 . 2 1242 112 112 ILE HG13 H 1.39 . 2 1243 112 112 ILE HG2 H 0.82 . 1 1244 112 112 ILE C C 175.4 . 1 1245 112 112 ILE CA C 60.4 . 1 1246 112 112 ILE CB C 38.8 . 1 1247 112 112 ILE CD1 C 13.7 . 1 1248 112 112 ILE CG1 C 27.1 . 1 1249 112 112 ILE CG2 C 17.3 . 1 1250 112 112 ILE N N 125.7 . 1 1251 113 113 GLU H H 8.51 . 1 1252 113 113 GLU HA H 4.25 . 1 1253 113 113 GLU HB2 H 1.97 . 2 1254 113 113 GLU HB3 H 1.84 . 2 1255 113 113 GLU HG2 H 2.13 . 2 1256 113 113 GLU HG3 H 2.13 . 2 1257 113 113 GLU C C 176.2 . 1 1258 113 113 GLU CA C 55.9 . 1 1259 113 113 GLU CB C 30.5 . 1 1260 113 113 GLU CG C 36.0 . 1 1261 113 113 GLU N N 125.8 . 1 1262 114 114 SER H H 8.39 . 1 1263 114 114 SER HA H 4.37 . 1 1264 114 114 SER HB2 H 3.81 . 2 1265 114 114 SER HB3 H 3.81 . 2 1266 114 114 SER C C 174.7 . 1 1267 114 114 SER CA C 58.1 . 1 1268 114 114 SER CB C 63.6 . 1 1269 114 114 SER N N 117.5 . 1 1270 115 115 LYS H H 8.53 . 1 1271 115 115 LYS HA H 4.39 . 1 1272 115 115 LYS HB2 H 1.73 . 2 1273 115 115 LYS HB3 H 1.86 . 2 1274 115 115 LYS HD2 H 1.65 . 2 1275 115 115 LYS HD3 H 1.65 . 2 1276 115 115 LYS HE2 H 2.96 . 2 1277 115 115 LYS HE3 H 2.96 . 2 1278 115 115 LYS HG2 H 1.43 . 2 1279 115 115 LYS HG3 H 1.37 . 2 1280 115 115 LYS C C 176.9 . 1 1281 115 115 LYS CA C 56.2 . 1 1282 115 115 LYS CB C 32.9 . 1 1283 115 115 LYS CD C 28.8 . 1 1284 115 115 LYS CE C 42.0 . 1 1285 115 115 LYS CG C 24.7 . 1 1286 115 115 LYS N N 123.9 . 1 1287 116 116 THR H H 8.28 . 1 1288 116 116 THR HA H 4.31 . 1 1289 116 116 THR HB H 4.20 . 1 1290 116 116 THR HG2 H 1.18 . 1 1291 116 116 THR C C 170.1 . 1 1292 116 116 THR CA C 62.0 . 1 1293 116 116 THR CB C 69.9 . 1 1294 116 116 THR CG2 C 21.6 . 1 1295 116 116 THR N N 114.4 . 1 1296 117 117 GLY H H 8.51 . 1 1297 117 117 GLY HA2 H 3.98 . 2 1298 117 117 GLY HA3 H 3.98 . 2 1299 117 117 GLY C C 174.2 . 1 1300 117 117 GLY CA C 45.4 . 1 1301 117 117 GLY N N 111.4 . 1 1302 118 118 ARG H H 8.20 . 1 1303 118 118 ARG HA H 4.33 . 1 1304 118 118 ARG HB2 H 1.72 . 2 1305 118 118 ARG HB3 H 1.84 . 2 1306 118 118 ARG HD2 H 3.16 . 2 1307 118 118 ARG HD3 H 3.16 . 2 1308 118 118 ARG HG2 H 1.57 . 2 1309 118 118 ARG HG3 H 1.57 . 2 1310 118 118 ARG C C 176.3 . 1 1311 118 118 ARG CA C 56.0 . 1 1312 118 118 ARG CB C 30.7 . 1 1313 118 118 ARG CD C 43.3 . 1 1314 118 118 ARG CG C 27.2 . 1 1315 118 118 ARG N N 120.5 . 1 1316 119 119 GLU H H 8.60 . 1 1317 119 119 GLU HA H 4.24 . 1 1318 119 119 GLU HB2 H 1.92 . 2 1319 119 119 GLU HB3 H 2.02 . 2 1320 119 119 GLU HG2 H 2.24 . 2 1321 119 119 GLU HG3 H 2.24 . 2 1322 119 119 GLU C C 176.6 . 1 1323 119 119 GLU CA C 56.7 . 1 1324 119 119 GLU CB C 30.0 . 1 1325 119 119 GLU CG C 36.2 . 1 1326 119 119 GLU N N 121.9 . 1 1327 120 120 GLU H H 8.46 . 1 1328 120 120 GLU HA H 4.29 . 1 1329 120 120 GLU HB2 H 2.02 . 2 1330 120 120 GLU HB3 H 1.92 . 2 1331 120 120 GLU HG2 H 2.22 . 2 1332 120 120 GLU HG3 H 2.25 . 2 1333 120 120 GLU C C 176.6 . 1 1334 120 120 GLU CA C 56.3 . 1 1335 120 120 GLU CB C 30.1 . 1 1336 120 120 GLU CG C 36.0 . 1 1337 120 120 GLU N N 122.5 . 1 1338 121 121 LYS H H 8.34 . 1 1339 121 121 LYS HA H 4.28 . 1 1340 121 121 LYS HB2 H 1.81 . 2 1341 121 121 LYS HB3 H 1.75 . 2 1342 121 121 LYS HD2 H 1.65 . 2 1343 121 121 LYS HD3 H 1.65 . 2 1344 121 121 LYS HE2 H 2.96 . 2 1345 121 121 LYS HE3 H 2.96 . 2 1346 121 121 LYS HG2 H 1.44 . 2 1347 121 121 LYS HG3 H 1.40 . 2 1348 121 121 LYS C C 177.3 . 1 1349 121 121 LYS CA C 56.6 . 1 1350 121 121 LYS CB C 33.0 . 1 1351 121 121 LYS CD C 29.1 . 1 1352 121 121 LYS CE C 42.4 . 1 1353 121 121 LYS CG C 24.6 . 1 1354 121 121 LYS N N 121.9 . 1 1355 122 122 ASP H H 8.32 . 1 1356 122 122 ASP HA H 4.59 . 1 1357 122 122 ASP HB2 H 2.66 . 2 1358 122 122 ASP HB3 H 2.72 . 2 1359 122 122 ASP C C 175.8 . 1 1360 122 122 ASP CA C 54.2 . 1 1361 122 122 ASP CB C 41.2 . 1 1362 122 122 ASP N N 121.2 . 1 1363 123 123 GLU H H 8.43 . 1 1364 123 123 GLU HA H 4.19 . 1 1365 123 123 GLU HB2 H 2.06 . 2 1366 123 123 GLU HB3 H 1.97 . 2 1367 123 123 GLU HG2 H 2.25 . 2 1368 123 123 GLU HG3 H 2.25 . 2 1369 123 123 GLU C C 177.3 . 1 1370 123 123 GLU CA C 57.4 . 1 1371 123 123 GLU CB C 29.9 . 1 1372 123 123 GLU CG C 36.0 . 1 1373 123 123 GLU N N 121.9 . 1 1374 124 124 LYS H H 8.35 . 1 1375 124 124 LYS HA H 4.26 . 1 1376 124 124 LYS HB2 H 1.85 . 2 1377 124 124 LYS HB3 H 1.75 . 2 1378 124 124 LYS HD2 H 1.61 . 2 1379 124 124 LYS HD3 H 1.61 . 2 1380 124 124 LYS HE2 H 2.93 . 2 1381 124 124 LYS HE3 H 2.93 . 2 1382 124 124 LYS HG2 H 1.38 . 2 1383 124 124 LYS HG3 H 1.38 . 2 1384 124 124 LYS C C 177.0 . 1 1385 124 124 LYS CA C 56.8 . 1 1386 124 124 LYS CB C 32.6 . 1 1387 124 124 LYS CD C 28.8 . 1 1388 124 124 LYS CE C 41.8 . 1 1389 124 124 LYS CG C 24.9 . 1 1390 124 124 LYS N N 121.0 . 1 1391 125 125 SER H H 8.18 . 1 1392 125 125 SER HA H 4.38 . 1 1393 125 125 SER HB2 H 3.88 . 2 1394 125 125 SER HB3 H 3.88 . 2 1395 125 125 SER C C 175.2 . 1 1396 125 125 SER CA C 58.5 . 1 1397 125 125 SER CB C 63.4 . 1 1398 125 125 SER N N 115.7 . 1 1399 126 126 LYS H H 8.18 . 1 1400 126 126 LYS HA H 4.29 . 1 1401 126 126 LYS HB2 H 1.86 . 2 1402 126 126 LYS HB3 H 1.77 . 2 1403 126 126 LYS HD2 H 1.66 . 2 1404 126 126 LYS HD3 H 1.66 . 2 1405 126 126 LYS HE2 H 2.93 . 2 1406 126 126 LYS HE3 H 2.93 . 2 1407 126 126 LYS HG2 H 1.40 . 2 1408 126 126 LYS HG3 H 1.40 . 2 1409 126 126 LYS C C 177.5 . 1 1410 126 126 LYS CA C 56.7 . 1 1411 126 126 LYS CB C 32.7 . 1 1412 126 126 LYS CD C 29.1 . 1 1413 126 126 LYS CE C 42.2 . 1 1414 126 126 LYS CG C 24.6 . 1 1415 126 126 LYS N N 122.7 . 1 1416 127 127 SER H H 8.17 . 1 1417 127 127 SER HA H 4.38 . 1 1418 127 127 SER HB2 H 3.89 . 2 1419 127 127 SER HB3 H 3.86 . 2 1420 127 127 SER C C 174.8 . 1 1421 127 127 SER CA C 58.6 . 1 1422 127 127 SER CB C 63.4 . 1 1423 127 127 SER N N 115.6 . 1 1424 128 128 LEU H H 8.16 . 1 1425 128 128 LEU HA H 4.26 . 1 1426 128 128 LEU HB2 H 1.52 . 2 1427 128 128 LEU HB3 H 1.62 . 2 1428 128 128 LEU HD1 H 0.89 . 2 1429 128 128 LEU HD2 H 0.82 . 2 1430 128 128 LEU HG H 1.54 . 1 1431 128 128 LEU C C 177.5 . 1 1432 128 128 LEU CA C 56.0 . 1 1433 128 128 LEU CB C 42.1 . 1 1434 128 128 LEU CD1 C 25.1 . 1 1435 128 128 LEU CD2 C 23.2 . 1 1436 128 128 LEU CG C 26.8 . 1 1437 128 128 LEU N N 123.6 . 1 1438 129 129 GLU H H 8.16 . 1 1439 129 129 GLU HA H 4.26 . 1 1440 129 129 GLU HB2 H 2.04 . 2 1441 129 129 GLU HB3 H 2.04 . 2 1442 129 129 GLU HG2 H 2.31 . 2 1443 129 129 GLU HG3 H 2.31 . 2 1444 129 129 GLU CA C 57.4 . 1 1445 129 129 GLU CB C 30.1 . 1 1446 129 129 GLU CG C 36.0 . 1 1447 129 129 GLU N N 120.3 . 1 stop_ save_