data_6736 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Pseudomonas Aeruginosa Protein Pa2021. The Northeast Structural Genomics Consortium Target Pat85. ; _BMRB_accession_number 6736 _BMRB_flat_file_name bmr6736.str _Entry_type original _Submission_date 2005-07-20 _Accession_date 2005-07-21 _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 Lin Yu-Chieh . . 2 Liu Gaohua . . 3 Shen Yang . . 4 Yee Adelinda . . 5 Arrowsmith Cheryl H. . 6 Montelione Gaetano T. . 7 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" 401 "13C chemical shifts" 206 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-11-14 update BMRB 'complete entry citation' 2005-10-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_NMR_structure_of_PA2021 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of protein PA2021 from Pseudomonas aeruginosa' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16927296 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Yu-Chieh . . 2 Liu Gaohua . . 3 Shen Yang . . 4 Bertonati C. . . 5 Yee Adelinda . . 6 Honig B. . . 7 Arrowsmith Cheryl . . 8 Szyperski Thomas . . stop_ _Journal_abbreviation Proteins _Journal_volume 65 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 767 _Page_last 770 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NMR structure of PA2021' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NMR structure of PA2021' $Hypothetical_protein_PA2021 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Hypothetical_protein_PA2021 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PA2021 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MGTSHHHHHHSSGRENLYFQ GHMSIEIDSEQGVCSVEIEG SRHRAPVDSLRIGTDAEARL SVLYIDGKRLHISEEDAQRL VVAGAEDQRRHLMADD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 THR 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 ARG 15 GLU 16 ASN 17 LEU 18 TYR 19 PHE 20 GLN 21 GLY 22 HIS 23 MET 24 SER 25 ILE 26 GLU 27 ILE 28 ASP 29 SER 30 GLU 31 GLN 32 GLY 33 VAL 34 CYS 35 SER 36 VAL 37 GLU 38 ILE 39 GLU 40 GLY 41 SER 42 ARG 43 HIS 44 ARG 45 ALA 46 PRO 47 VAL 48 ASP 49 SER 50 LEU 51 ARG 52 ILE 53 GLY 54 THR 55 ASP 56 ALA 57 GLU 58 ALA 59 ARG 60 LEU 61 SER 62 VAL 63 LEU 64 TYR 65 ILE 66 ASP 67 GLY 68 LYS 69 ARG 70 LEU 71 HIS 72 ILE 73 SER 74 GLU 75 GLU 76 ASP 77 ALA 78 GLN 79 ARG 80 LEU 81 VAL 82 VAL 83 ALA 84 GLY 85 ALA 86 GLU 87 ASP 88 GLN 89 ARG 90 ARG 91 HIS 92 LEU 93 MET 94 ALA 95 ASP 96 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1YWY "Solution Structure Of Pseudomonas Aeruginosa Protein Pa2021. The Northeast Structural Genomics Consortium Target Pat85." 77.08 74 100.00 100.00 5.09e-43 DBJ BAK89844 "hypothetical protein NCGM2_2996 [Pseudomonas aeruginosa NCGM2.S1]" 77.08 74 98.65 100.00 8.67e-43 DBJ BAP23545 "hypothetical protein NCGM1900_4465 [Pseudomonas aeruginosa]" 77.08 74 98.65 100.00 8.67e-43 DBJ BAP51149 "hypothetical protein NCGM1984_3179 [Pseudomonas aeruginosa]" 77.08 74 98.65 100.00 8.67e-43 DBJ GAA17576 "hypothetical protein NCGM1179_2407 [Pseudomonas aeruginosa NCMG1179]" 77.08 74 100.00 100.00 5.09e-43 DBJ GAJ53932 "hypothetical protein RBRAMI_2820 [Pseudomonas aeruginosa RB]" 77.08 74 100.00 100.00 5.09e-43 EMBL CAW28029 "hypothetical protein PLES_33021 [Pseudomonas aeruginosa LESB58]" 77.08 74 98.65 100.00 2.09e-42 EMBL CCQ85418 "hypothetical protein PA18A_2009 [Pseudomonas aeruginosa 18A]" 77.08 74 100.00 100.00 5.09e-43 EMBL CDH71317 "hypothetical protein P38_3065 [Pseudomonas aeruginosa MH38]" 77.08 74 100.00 100.00 5.09e-43 EMBL CDH77600 "hypothetical protein PAMH27_3207 [Pseudomonas aeruginosa MH27]" 77.08 74 98.65 100.00 8.67e-43 EMBL CDI90261 "hypothetical protein BN889_02203 [Pseudomonas aeruginosa PA38182]" 77.08 74 100.00 100.00 5.09e-43 GB AAG05409 "hypothetical protein PA2021 [Pseudomonas aeruginosa PAO1]" 77.08 74 100.00 100.00 5.09e-43 GB ABJ11207 "conserved hypothetical protein [Pseudomonas aeruginosa UCBPP-PA14]" 77.08 74 98.65 100.00 8.67e-43 GB AEO75506 "hypothetical protein PAM18_3023 [Pseudomonas aeruginosa M18]" 77.08 74 98.65 100.00 1.56e-42 GB AFM65387 "hypothetical protein PADK2_15540 [Pseudomonas aeruginosa DK2]" 77.08 74 100.00 100.00 5.09e-43 GB AGI81918 "hypothetical protein G655_14995 [Pseudomonas aeruginosa B136-33]" 77.08 74 98.65 100.00 8.67e-43 REF NP_250711 "hypothetical protein PA2021 [Pseudomonas aeruginosa PAO1]" 77.08 74 100.00 100.00 5.09e-43 REF WP_003088627 "MULTISPECIES: hypothetical protein [Pseudomonas]" 77.08 74 98.65 100.00 8.67e-43 REF WP_003100372 "MULTISPECIES: hypothetical protein [Pseudomonas]" 77.08 74 100.00 100.00 5.09e-43 REF WP_003120203 "hypothetical protein [Pseudomonas aeruginosa]" 77.08 74 98.65 100.00 2.09e-42 REF WP_014602995 "hypothetical protein [Pseudomonas aeruginosa]" 77.08 74 98.65 100.00 1.56e-42 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Hypothetical_protein_PA2021 'Pseudomonas aeruginosa' 287 Eubacteria . Pseudomonas aeruginosa 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 $Hypothetical_protein_PA2021 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PA2021 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Hypothetical_protein_PA2021 0.6 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $PA2021 save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label $PA2021 save_ save_CBCAcoNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _Sample_label $PA2021 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $PA2021 save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $PA2021 save_ save_CAcoNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CAcoNH _Sample_label $PA2021 save_ save_GFT-HNCAHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name GFT-HNCAHA _Sample_label $PA2021 save_ save_GFT-HCCHCOSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name GFT-HCCHCOSY _Sample_label $PA2021 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_solution _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H15N HSQC' stop_ loop_ _Sample_label $PA2021 stop_ _Sample_conditions_label $solution _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'NMR structure of PA2021' _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 14 14 ARG HG2 H 1.50 0.01 2 2 14 14 ARG HG3 H 1.60 0.01 2 3 14 14 ARG HD2 H 3.00 0.01 2 4 14 14 ARG HD3 H 3.10 0.01 2 5 14 14 ARG CG C 27.3 0.2 1 6 14 14 ARG CD C 43.4 0.2 1 7 16 16 ASN HB2 H 2.77 0.01 1 8 16 16 ASN HB3 H 2.77 0.01 1 9 18 18 TYR H H 8.04 0.01 1 10 18 18 TYR HB2 H 2.88 0.01 1 11 18 18 TYR HB3 H 2.88 0.01 1 12 18 18 TYR N N 119.3 0.2 1 13 22 22 HIS H H 8.29 0.01 1 14 22 22 HIS HB2 H 3.13 0.01 1 15 22 22 HIS HB3 H 3.13 0.01 1 16 22 22 HIS N N 122.1 0.2 1 17 23 23 MET H H 8.27 0.01 1 18 23 23 MET HA H 4.90 0.01 1 19 23 23 MET HB2 H 2.03 0.01 1 20 23 23 MET HB3 H 2.03 0.01 1 21 23 23 MET HG2 H 2.44 0.01 1 22 23 23 MET HG3 H 2.44 0.01 1 23 23 23 MET CA C 54.7 0.2 1 24 23 23 MET CB C 34.6 0.2 1 25 23 23 MET CG C 31.4 0.2 1 26 23 23 MET N N 122.0 0.2 1 27 24 24 SER H H 8.56 0.01 1 28 24 24 SER HA H 4.76 0.01 1 29 24 24 SER HB2 H 3.85 0.01 1 30 24 24 SER HB3 H 3.85 0.01 1 31 24 24 SER N N 117.9 0.2 1 32 25 25 ILE H H 8.69 0.01 1 33 25 25 ILE HA H 4.64 0.01 1 34 25 25 ILE HB H 1.62 0.01 1 35 25 25 ILE HG12 H 1.48 0.01 2 36 25 25 ILE HG13 H 0.96 0.01 2 37 25 25 ILE HG2 H 0.75 0.01 1 38 25 25 ILE HD1 H 0.75 0.01 1 39 25 25 ILE CA C 62.2 0.2 1 40 25 25 ILE CB C 39.5 0.2 1 41 25 25 ILE CG1 C 27.5 0.2 1 42 25 25 ILE CG2 C 16.9 0.2 1 43 25 25 ILE CD1 C 13.6 0.2 1 44 25 25 ILE N N 124.0 0.2 1 45 26 26 GLU H H 8.87 0.01 1 46 26 26 GLU HA H 4.73 0.01 1 47 26 26 GLU HB2 H 2.03 0.01 2 48 26 26 GLU HB3 H 1.94 0.01 2 49 26 26 GLU HG2 H 2.12 0.01 2 50 26 26 GLU HG3 H 2.23 0.01 2 51 26 26 GLU CB C 32.3 0.2 1 52 26 26 GLU CG C 36.0 0.2 1 53 26 26 GLU N N 127.2 0.2 1 54 27 27 ILE H H 8.88 0.01 1 55 27 27 ILE HA H 4.39 0.01 1 56 27 27 ILE HB H 1.74 0.01 1 57 27 27 ILE HG12 H 0.72 0.01 1 58 27 27 ILE HG13 H 1.48 0.01 1 59 27 27 ILE HG2 H 0.66 0.01 1 60 27 27 ILE HD1 H 0.71 0.01 1 61 27 27 ILE CA C 60.5 0.2 1 62 27 27 ILE CB C 40.1 0.2 1 63 27 27 ILE CG1 C 27.87 0.2 1 64 27 27 ILE CG2 C 16.7 0.2 1 65 27 27 ILE CD1 C 16.7 0.2 1 66 27 27 ILE N N 124.6 0.2 1 67 28 28 ASP H H 8.75 0.01 1 68 28 28 ASP HA H 4.97 0.01 1 69 28 28 ASP HB2 H 2.59 0.01 2 70 28 28 ASP HB3 H 2.93 0.01 2 71 28 28 ASP CA C 52.0 0.2 1 72 28 28 ASP CB C 40.8 0.2 1 73 28 28 ASP N N 127.7 0.2 1 74 29 29 SER HA H 4.22 0.01 1 75 29 29 SER HB2 H 4.01 0.01 2 76 29 29 SER CA C 61.0 0.2 1 77 30 30 GLU H H 8.41 0.01 1 78 30 30 GLU HA H 4.23 0.01 1 79 30 30 GLU HB2 H 2.19 0.01 1 80 30 30 GLU HB3 H 2.19 0.01 1 81 30 30 GLU HG2 H 2.29 0.01 1 82 30 30 GLU HG3 H 2.29 0.01 1 83 30 30 GLU CA C 58.7 0.2 1 84 30 30 GLU CB C 29.7 0.2 1 85 30 30 GLU CG C 36.5 0.2 1 86 30 30 GLU N N 122.6 0.2 1 87 31 31 GLN H H 7.88 0.01 1 88 31 31 GLN HA H 4.37 0.01 1 89 31 31 GLN HB2 H 1.68 0.01 2 90 31 31 GLN HB3 H 2.21 0.01 2 91 31 31 GLN HG2 H 2.48 0.01 2 92 31 31 GLN HG3 H 2.31 0.01 2 93 31 31 GLN HE21 H 6.83 0.01 2 94 31 31 GLN HE22 H 7.68 0.01 2 95 31 31 GLN CA C 55.4 0.2 1 96 31 31 GLN CB C 30.1 0.2 1 97 31 31 GLN CG C 34.2 0.2 1 98 31 31 GLN N N 114.7 0.2 1 99 31 31 GLN NE2 N 112.3 0.2 1 100 32 32 GLY H H 8.20 0.01 1 101 32 32 GLY HA2 H 4.07 0.01 2 102 32 32 GLY HA3 H 3.95 0.01 2 103 32 32 GLY CA C 46.6 0.2 1 104 32 32 GLY N N 109.2 0.2 1 105 33 33 VAL H H 7.68 0.01 1 106 33 33 VAL HA H 4.63 0.01 1 107 33 33 VAL HB H 1.77 0.01 1 108 33 33 VAL HG1 H 0.79 0.01 2 109 33 33 VAL HG2 H 0.81 0.01 2 110 33 33 VAL CB C 36.4 0.2 1 111 33 33 VAL CG1 C 20.9 0.2 1 112 33 33 VAL CG2 C 20.9 0.2 1 113 33 33 VAL N N 117.0 0.2 1 114 34 34 CYS H H 9.05 0.01 1 115 34 34 CYS HA H 5.27 0.01 1 116 34 34 CYS HB2 H 2.62 0.01 2 117 34 34 CYS HB3 H 2.50 0.01 2 118 34 34 CYS CA C 55.6 0.2 1 119 34 34 CYS CB C 30.2 0.2 1 120 34 34 CYS N N 125.5 0.2 1 121 35 35 SER H H 9.04 0.01 1 122 35 35 SER HA H 5.58 0.01 1 123 35 35 SER HB2 H 3.71 0.01 2 124 35 35 SER HB3 H 3.67 0.01 2 125 35 35 SER CA C 56.6 0.2 1 126 35 35 SER CB C 65.0 0.2 1 127 35 35 SER N N 121.6 0.2 1 128 36 36 VAL H H 9.11 0.01 1 129 36 36 VAL HA H 4.89 0.01 1 130 36 36 VAL HB H 1.96 0.01 1 131 36 36 VAL HG1 H 0.82 0.01 2 132 36 36 VAL HG2 H 0.81 0.01 2 133 36 36 VAL CA C 61.96 0.2 1 134 36 36 VAL CB C 35.1 0.2 1 135 36 36 VAL CG1 C 21.0 0.2 1 136 36 36 VAL CG2 C 20.9 0.2 1 137 36 36 VAL N N 123.2 0.2 1 138 37 37 GLU H H 8.77 0.01 1 139 37 37 GLU HA H 5.11 0.01 1 140 37 37 GLU HB2 H 2.05 0.01 2 141 37 37 GLU HB3 H 1.86 0.01 2 142 37 37 GLU HG2 H 2.00 0.01 2 143 37 37 GLU HG3 H 2.08 0.01 2 144 37 37 GLU CA C 55.1 0.2 1 145 37 37 GLU CB C 31.4 0.2 1 146 37 37 GLU CG C 36.4 0.2 1 147 37 37 GLU N N 127.2 0.2 1 148 38 38 ILE H H 8.77 0.01 1 149 38 38 ILE HA H 4.56 0.01 1 150 38 38 ILE HB H 1.78 0.01 1 151 38 38 ILE HG12 H 0.84 0.01 2 152 38 38 ILE HG13 H 1.47 0.01 2 153 38 38 ILE HG2 H 0.83 0.01 1 154 38 38 ILE HD1 H 0.87 0.01 1 155 38 38 ILE CA C 59.8 0.2 1 156 38 38 ILE CB C 40.4 0.2 1 157 38 38 ILE CG1 C 22.1 0.2 1 158 38 38 ILE CG2 C 17.14 0.2 1 159 38 38 ILE N N 123.5 0.2 1 160 39 39 GLU H H 9.47 0.01 1 161 39 39 GLU HA H 3.93 0.01 1 162 39 39 GLU HB2 H 2.04 0.01 2 163 39 39 GLU HB3 H 2.29 0.01 2 164 39 39 GLU HG2 H 2.36 0.01 1 165 39 39 GLU HG3 H 2.36 0.01 1 166 39 39 GLU CA C 57.3 0.2 1 167 39 39 GLU CB C 28.0 0.2 1 168 39 39 GLU CG C 36.8 0.2 1 169 39 39 GLU N N 126.8 0.2 1 170 40 40 GLY H H 8.77 0.01 1 171 40 40 GLY HA2 H 3.73 0.01 2 172 40 40 GLY HA3 H 4.22 0.01 2 173 40 40 GLY N N 106.0 0.2 1 174 41 41 SER H H 8.03 0.01 1 175 41 41 SER HA H 4.75 0.01 1 176 41 41 SER HB2 H 3.81 0.01 2 177 41 41 SER CB C 64.50 0.2 1 178 41 41 SER N N 116.3 0.2 1 179 42 42 ARG HA H 4.93 0.01 1 180 42 42 ARG HB2 H 1.69 0.01 1 181 42 42 ARG HB3 H 1.69 0.01 1 182 42 42 ARG HG2 H 1.52 0.01 2 183 42 42 ARG HG3 H 1.58 0.01 2 184 42 42 ARG HD2 H 3.00 0.01 2 185 42 42 ARG HD3 H 3.10 0.01 2 186 42 42 ARG CA C 55.5 0.2 1 187 42 42 ARG CB C 31.9 0.2 1 188 42 42 ARG CG C 27.3 0.2 1 189 42 42 ARG CD C 43.4 0.2 1 190 43 43 HIS H H 9.06 0.01 1 191 43 43 HIS N N 124.8 0.2 1 192 44 44 ARG H H 8.77 0.01 1 193 44 44 ARG HA H 5.57 0.01 1 194 44 44 ARG HB2 H 1.66 0.01 1 195 44 44 ARG HB3 H 1.66 0.01 1 196 44 44 ARG HG2 H 1.50 0.01 2 197 44 44 ARG HG3 H 1.47 0.01 2 198 44 44 ARG HD2 H 3.12 0.01 1 199 44 44 ARG HD3 H 3.12 0.01 1 200 44 44 ARG CB C 33.3 0.2 1 201 44 44 ARG CG C 27.1 0.2 1 202 44 44 ARG CD C 43.5 0.2 1 203 44 44 ARG N N 122.8 0.2 1 204 45 45 ALA H H 8.85 0.01 1 205 45 45 ALA HA H 4.96 0.01 1 206 45 45 ALA HB H 1.35 0.01 1 207 45 45 ALA CA C 50.2 0.2 1 208 45 45 ALA CB C 22.1 0.2 1 209 45 45 ALA N N 124.6 0.2 1 210 46 46 PRO HA H 3.93 0.01 1 211 46 46 PRO HB2 H 2.15 0.01 1 212 46 46 PRO HB3 H 2.15 0.01 1 213 46 46 PRO HG2 H 2.12 0.01 2 214 46 46 PRO HG3 H 2.25 0.01 2 215 46 46 PRO HD2 H 3.71 0.01 2 216 46 46 PRO HD3 H 3.96 0.01 2 217 46 46 PRO CA C 66.3 0.2 1 218 46 46 PRO CB C 31.5 0.2 1 219 46 46 PRO CG C 27.8 0.2 1 220 46 46 PRO CD C 50.8 0.2 1 221 47 47 VAL H H 8.76 0.01 1 222 47 47 VAL HA H 3.51 0.01 1 223 47 47 VAL HB H 1.85 0.01 1 224 47 47 VAL HG1 H 0.79 0.01 2 225 47 47 VAL HG2 H 0.81 0.01 2 226 47 47 VAL CA C 65.9 0.2 1 227 47 47 VAL CB C 31.4 0.2 1 228 47 47 VAL CG1 C 22.1 0.2 1 229 47 47 VAL CG2 C 22.1 0.2 1 230 47 47 VAL N N 126.7 0.2 1 231 48 48 ASP H H 8.41 0.01 1 232 48 48 ASP HA H 4.39 0.01 1 233 48 48 ASP HB2 H 2.65 0.01 2 234 48 48 ASP HB3 H 2.93 0.01 2 235 48 48 ASP CA C 54.6 0.2 1 236 48 48 ASP CB C 39.5 0.2 1 237 48 48 ASP N N 114.6 0.2 1 238 49 49 SER H H 7.82 0.01 1 239 49 49 SER HA H 4.67 0.01 1 240 49 49 SER HB2 H 4.18 0.01 1 241 49 49 SER HB3 H 4.18 0.01 1 242 49 49 SER CA C 58.3 0.2 1 243 49 49 SER CB C 65.0 0.2 1 244 49 49 SER N N 113.8 0.2 1 245 50 50 LEU H H 7.68 0.01 1 246 50 50 LEU HA H 4.57 0.01 1 247 50 50 LEU HB2 H 2.06 0.01 2 248 50 50 LEU HB3 H 1.31 0.01 2 249 50 50 LEU HG H 2.13 0.01 1 250 50 50 LEU HD1 H 0.88 0.01 2 251 50 50 LEU HD2 H 0.88 0.01 2 252 50 50 LEU CA C 54.3 0.2 1 253 50 50 LEU CB C 42.6 0.2 1 254 50 50 LEU CG C 25.8 0.2 1 255 50 50 LEU CD1 C 22.4 0.2 1 256 50 50 LEU CD2 C 22.2 0.2 1 257 50 50 LEU N N 122.1 0.2 1 258 51 51 ARG H H 7.39 0.01 1 259 51 51 ARG HA H 5.30 0.01 1 260 51 51 ARG HB2 H 1.70 0.01 1 261 51 51 ARG HB3 H 1.70 0.01 1 262 51 51 ARG HG2 H 1.49 0.01 1 263 51 51 ARG HG3 H 1.49 0.01 1 264 51 51 ARG HD2 H 2.90 0.01 2 265 51 51 ARG HD3 H 3.04 0.01 2 266 51 51 ARG CA C 54.3 0.2 1 267 51 51 ARG CB C 34.1 0.2 1 268 51 51 ARG CG C 27.1 0.2 1 269 51 51 ARG CD C 43.1 0.2 1 270 51 51 ARG N N 117.6 0.2 1 271 52 52 ILE H H 8.88 0.01 1 272 52 52 ILE HA H 5.37 0.01 1 273 52 52 ILE HB H 2.02 0.01 1 274 52 52 ILE HG12 H 1.34 0.01 2 275 52 52 ILE HG13 H 1.26 0.01 2 276 52 52 ILE HG2 H 0.95 0.01 1 277 52 52 ILE HD1 H 0.75 0.01 1 278 52 52 ILE CA C 57.4 0.2 1 279 52 52 ILE CB C 38.1 0.2 1 280 52 52 ILE CG1 C 27.0 0.2 1 281 52 52 ILE CG2 C 17.7 0.2 1 282 52 52 ILE CD1 C 12.6 0.2 1 283 52 52 ILE N N 123.0 0.2 1 284 53 53 GLY H H 9.35 0.01 1 285 53 53 GLY HA2 H 3.89 0.01 1 286 53 53 GLY HA3 H 3.89 0.01 1 287 53 53 GLY CA C 43.6 0.2 1 288 53 53 GLY N N 112.6 0.2 1 289 54 54 THR H H 8.70 0.01 1 290 54 54 THR HA H 4.78 0.01 1 291 54 54 THR HB H 3.80 0.01 1 292 54 54 THR HG2 H 1.14 0.01 1 293 54 54 THR CB C 71.8 0.2 1 294 54 54 THR CG2 C 21.7 0.2 1 295 54 54 THR N N 117.3 0.2 1 296 55 55 ASP H H 9.07 0.01 1 297 55 55 ASP HA H 4.77 0.01 1 298 55 55 ASP HB2 H 2.48 0.01 2 299 55 55 ASP HB3 H 2.92 0.01 2 300 55 55 ASP CB C 41.7 0.2 1 301 55 55 ASP N N 127.0 0.2 1 302 56 56 ALA HA H 4.04 0.01 1 303 56 56 ALA HB H 1.48 0.01 1 304 56 56 ALA CA C 54.2 0.2 1 305 56 56 ALA CB C 18.6 0.2 1 306 57 57 GLU H H 8.21 0.01 1 307 57 57 GLU HA H 4.19 0.01 1 308 57 57 GLU HB2 H 2.12 0.01 1 309 57 57 GLU HB3 H 2.12 0.01 1 310 57 57 GLU HG2 H 2.30 0.01 1 311 57 57 GLU HG3 H 2.30 0.01 1 312 57 57 GLU CA C 58.1 0.2 1 313 57 57 GLU CB C 29.7 0.2 1 314 57 57 GLU CG C 36.4 0.2 1 315 57 57 GLU N N 116.7 0.2 1 316 58 58 ALA H H 7.68 0.01 1 317 58 58 ALA HA H 4.17 0.01 1 318 58 58 ALA HB H 1.09 0.01 1 319 58 58 ALA CA C 51.6 0.2 1 320 58 58 ALA CB C 19.4 0.2 1 321 58 58 ALA N N 119.9 0.2 1 322 59 59 ARG H H 8.18 0.01 1 323 59 59 ARG HA H 3.71 0.01 1 324 59 59 ARG HB2 H 2.05 0.01 2 325 59 59 ARG HB3 H 1.86 0.01 2 326 59 59 ARG HG2 H 1.51 0.01 1 327 59 59 ARG HG3 H 1.51 0.01 1 328 59 59 ARG HD2 H 3.18 0.01 1 329 59 59 ARG HD3 H 3.18 0.01 1 330 59 59 ARG CA C 56.5 0.2 1 331 59 59 ARG CB C 26.8 0.2 1 332 59 59 ARG CG C 27.2 0.2 1 333 59 59 ARG CD C 43.5 0.2 1 334 59 59 ARG N N 114.3 0.2 1 335 60 60 LEU H H 7.18 0.01 1 336 60 60 LEU HA H 4.79 0.01 1 337 60 60 LEU HB2 H 1.21 0.01 2 338 60 60 LEU HB3 H 1.70 0.01 2 339 60 60 LEU HG H 1.40 0.01 1 340 60 60 LEU HD1 H 0.34 0.01 2 341 60 60 LEU HD2 H 0.88 0.01 2 342 60 60 LEU CB C 47.2 0.2 1 343 60 60 LEU CG C 25.8 0.2 1 344 60 60 LEU CD1 C 25.2 0.2 1 345 60 60 LEU CD2 C 23.2 0.2 1 346 60 60 LEU N N 116.7 0.2 1 347 61 61 SER H H 8.89 0.01 1 348 61 61 SER HA H 5.17 0.01 1 349 61 61 SER HB2 H 3.72 0.01 2 350 61 61 SER HB3 H 3.58 0.01 2 351 61 61 SER CA C 60.1 0.2 1 352 61 61 SER CB C 63.6 0.2 1 353 61 61 SER N N 118.1 0.2 1 354 62 62 VAL H H 8.33 0.01 1 355 62 62 VAL HA H 4.77 0.01 1 356 62 62 VAL HB H 1.32 0.01 1 357 62 62 VAL HG1 H 0.28 0.01 2 358 62 62 VAL HG2 H 0.50 0.01 2 359 62 62 VAL CA C 59.0 0.2 1 360 62 62 VAL CB C 35.6 0.2 1 361 62 62 VAL CG1 C 21.7 0.2 1 362 62 62 VAL CG2 C 20.9 0.2 1 363 62 62 VAL N N 117.0 0.2 1 364 63 63 LEU H H 9.23 0.01 1 365 63 63 LEU HA H 4.80 0.01 1 366 63 63 LEU HB2 H 1.74 0.01 2 367 63 63 LEU HB3 H 1.18 0.01 2 368 63 63 LEU HG H 1.28 0.01 1 369 63 63 LEU HD1 H 0.70 0.01 2 370 63 63 LEU HD2 H 0.90 0.01 2 371 63 63 LEU CB C 44.9 0.2 1 372 63 63 LEU CG C 27.1 0.2 1 373 63 63 LEU CD1 C 26.1 0.2 1 374 63 63 LEU CD2 C 24.8 0.2 1 375 63 63 LEU N N 125.6 0.2 1 376 64 64 TYR H H 8.69 0.01 1 377 64 64 TYR HA H 5.21 0.01 1 378 64 64 TYR HB2 H 2.93 0.01 1 379 64 64 TYR HB3 H 2.93 0.01 1 380 64 64 TYR HD1 H 7.02 0.01 1 381 64 64 TYR HD2 H 7.02 0.01 1 382 64 64 TYR HE1 H 6.57 0.01 1 383 64 64 TYR HE2 H 6.57 0.01 1 384 64 64 TYR CA C 56.8 0.2 1 385 64 64 TYR CB C 37.7 0.2 1 386 64 64 TYR N N 125.5 0.2 1 387 65 65 ILE H H 8.31 0.01 1 388 65 65 ILE HA H 4.42 0.01 1 389 65 65 ILE HB H 1.45 0.01 1 390 65 65 ILE HG12 H 0.70 0.01 2 391 65 65 ILE HG13 H 1.33 0.01 2 392 65 65 ILE HG2 H 0.63 0.01 1 393 65 65 ILE HD1 H 0.71 0.01 1 394 65 65 ILE CA C 58.3 0.2 1 395 65 65 ILE CB C 40.4 0.2 1 396 65 65 ILE CG1 C 28.1 0.2 1 397 65 65 ILE CG2 C 13.6 0.2 1 398 65 65 ILE CD1 C 14.0 0.2 1 399 65 65 ILE N N 119.4 0.2 1 400 66 66 ASP H H 9.18 0.01 1 401 66 66 ASP HA H 4.32 0.01 1 402 66 66 ASP HB2 H 2.29 0.01 2 403 66 66 ASP HB3 H 3.01 0.01 2 404 66 66 ASP CA C 55.1 0.2 1 405 66 66 ASP CB C 40.3 0.2 1 406 66 66 ASP N N 127.2 0.2 1 407 67 67 GLY H H 8.46 0.01 1 408 67 67 GLY HA2 H 3.69 0.01 2 409 67 67 GLY HA3 H 4.13 0.01 2 410 67 67 GLY CA C 45.7 0.2 1 411 67 67 GLY N N 103.7 0.2 1 412 68 68 LYS H H 8.37 0.01 1 413 68 68 LYS HA H 4.55 0.01 1 414 68 68 LYS HB2 H 1.58 0.01 2 415 68 68 LYS HB3 H 1.70 0.01 2 416 68 68 LYS HG2 H 1.26 0.01 2 417 68 68 LYS HG3 H 1.10 0.01 2 418 68 68 LYS HD2 H 1.40 0.01 2 419 68 68 LYS HD3 H 1.47 0.01 2 420 68 68 LYS HE2 H 2.89 0.01 1 421 68 68 LYS HE3 H 2.89 0.01 1 422 68 68 LYS CA C 54.0 0.2 1 423 68 68 LYS CB C 34.0 0.2 1 424 68 68 LYS CG C 24.3 0.2 1 425 68 68 LYS CD C 28.3 0.2 1 426 68 68 LYS CE C 42.0 0.2 1 427 68 68 LYS N N 121.2 0.2 1 428 69 69 ARG H H 8.24 0.01 1 429 69 69 ARG HA H 4.77 0.01 1 430 69 69 ARG HB2 H 1.37 0.01 1 431 69 69 ARG HB3 H 1.37 0.01 1 432 69 69 ARG HG2 H 0.93 0.01 2 433 69 69 ARG HG3 H 1.04 0.01 2 434 69 69 ARG HD2 H 2.94 0.01 2 435 69 69 ARG HD3 H 3.05 0.01 2 436 69 69 ARG CB C 32.1 0.2 1 437 69 69 ARG CG C 26.7 0.2 1 438 69 69 ARG CD C 43.6 0.2 1 439 69 69 ARG N N 121.2 0.2 1 440 70 70 LEU H H 8.71 0.01 1 441 70 70 LEU HA H 4.68 0.01 1 442 70 70 LEU HB2 H 1.47 0.01 1 443 70 70 LEU HB3 H 1.47 0.01 1 444 70 70 LEU HG H 1.47 0.01 1 445 70 70 LEU HD1 H 0.74 0.01 2 446 70 70 LEU HD2 H 0.73 0.01 2 447 70 70 LEU CB C 44.7 0.2 1 448 70 70 LEU CG C 26.6 0.2 1 449 70 70 LEU CD1 C 24.7 0.2 1 450 70 70 LEU CD2 C 25.8 0.2 1 451 70 70 LEU N N 124.4 0.2 1 452 71 71 HIS H H 8.59 0.01 1 453 71 71 HIS HA H 5.01 0.01 1 454 71 71 HIS HB2 H 2.94 0.01 1 455 71 71 HIS HB3 H 2.94 0.01 1 456 71 71 HIS CA C 57.8 0.2 1 457 71 71 HIS CB C 31.4 0.2 1 458 71 71 HIS N N 123.6 0.2 1 459 72 72 ILE H H 8.00 0.01 1 460 72 72 ILE HA H 4.86 0.01 1 461 72 72 ILE HB H 1.94 0.01 1 462 72 72 ILE HG12 H 1.33 0.01 2 463 72 72 ILE HG13 H 0.85 0.01 2 464 72 72 ILE HG2 H 0.77 0.01 1 465 72 72 ILE HD1 H 0.65 0.01 1 466 72 72 ILE CB C 42.8 0.2 1 467 72 72 ILE CG1 C 25.2 0.2 1 468 72 72 ILE CG2 C 18.1 0.2 1 469 72 72 ILE CD1 C 14.8 0.2 1 470 72 72 ILE N N 115.5 0.2 1 471 73 73 SER H H 9.28 0.01 1 472 73 73 SER HA H 4.38 0.01 1 473 73 73 SER HB2 H 4.02 0.01 2 474 73 73 SER HB3 H 4.45 0.01 2 475 73 73 SER CA C 56.9 0.2 1 476 73 73 SER CB C 65.0 0.2 1 477 73 73 SER N N 117.7 0.2 1 478 74 74 GLU H H 9.04 0.01 1 479 74 74 GLU HA H 4.14 0.01 1 480 74 74 GLU HB2 H 2.10 0.01 1 481 74 74 GLU HB3 H 2.10 0.01 1 482 74 74 GLU HG2 H 2.49 0.01 1 483 74 74 GLU HG3 H 2.49 0.01 1 484 74 74 GLU CA C 58.2 0.2 1 485 74 74 GLU CB C 28.8 0.2 1 486 74 74 GLU CG C 36.4 0.2 1 487 74 74 GLU N N 120.5 0.2 1 488 75 75 GLU H H 8.78 0.01 1 489 75 75 GLU HA H 4.08 0.01 1 490 75 75 GLU HB2 H 2.10 0.01 2 491 75 75 GLU HB3 H 1.95 0.01 2 492 75 75 GLU HG2 H 2.30 0.01 2 493 75 75 GLU HG3 H 2.38 0.01 2 494 75 75 GLU CA C 59.7 0.2 1 495 75 75 GLU CB C 29.0 0.2 1 496 75 75 GLU CG C 36.8 0.2 1 497 75 75 GLU N N 119.7 0.2 1 498 76 76 ASP H H 7.96 0.01 1 499 76 76 ASP HA H 4.54 0.01 1 500 76 76 ASP HB2 H 2.30 0.01 2 501 76 76 ASP HB3 H 2.79 0.01 2 502 76 76 ASP CA C 57.4 0.2 1 503 76 76 ASP CB C 39.5 0.2 1 504 76 76 ASP N N 121.0 0.2 1 505 77 77 ALA H H 8.56 0.01 1 506 77 77 ALA HA H 3.81 0.01 1 507 77 77 ALA HB H 1.43 0.01 1 508 77 77 ALA CA C 55.6 0.2 1 509 77 77 ALA CB C 18.0 0.2 1 510 77 77 ALA N N 122.6 0.2 1 511 78 78 GLN H H 8.03 0.01 1 512 78 78 GLN HA H 3.96 0.01 1 513 78 78 GLN HB2 H 2.28 0.01 2 514 78 78 GLN HB3 H 2.13 0.01 2 515 78 78 GLN HG2 H 2.47 0.01 2 516 78 78 GLN HG3 H 2.51 0.01 2 517 78 78 GLN HE21 H 7.27 0.01 2 518 78 78 GLN HE22 H 7.02 0.01 2 519 78 78 GLN CA C 58.2 0.2 1 520 78 78 GLN CB C 27.6 0.2 1 521 78 78 GLN CG C 32.8 0.2 1 522 78 78 GLN N N 115.9 0.2 1 523 78 78 GLN NE2 N 111.2 0.2 1 524 79 79 ARG H H 7.79 0.01 1 525 79 79 ARG HA H 3.99 0.01 1 526 79 79 ARG HB2 H 1.85 0.01 2 527 79 79 ARG HB3 H 2.00 0.01 2 528 79 79 ARG HG2 H 1.70 0.01 2 529 79 79 ARG HG3 H 1.93 0.01 2 530 79 79 ARG HD2 H 3.31 0.01 1 531 79 79 ARG HD3 H 3.31 0.01 1 532 79 79 ARG CA C 59.2 0.2 1 533 79 79 ARG CB C 30.5 0.2 1 534 79 79 ARG CG C 28.0 0.2 1 535 79 79 ARG CD C 43.9 0.2 1 536 79 79 ARG N N 117.4 0.2 1 537 80 80 LEU H H 8.07 0.01 1 538 80 80 LEU HA H 3.93 0.01 1 539 80 80 LEU HB2 H 1.02 0.01 2 540 80 80 LEU HB3 H 2.02 0.01 2 541 80 80 LEU HG H 1.70 0.01 1 542 80 80 LEU HD1 H 0.79 0.01 2 543 80 80 LEU HD2 H 0.76 0.01 2 544 80 80 LEU CA C 57.7 0.2 1 545 80 80 LEU CB C 41.6 0.2 1 546 80 80 LEU CG C 27.4 0.2 1 547 80 80 LEU CD1 C 26.9 0.2 1 548 80 80 LEU CD2 C 23.9 0.2 1 549 80 80 LEU N N 119.6 0.2 1 550 81 81 VAL H H 8.33 0.01 1 551 81 81 VAL HA H 3.93 0.01 1 552 81 81 VAL HB H 2.15 0.01 1 553 81 81 VAL HG1 H 0.93 0.01 2 554 81 81 VAL HG2 H 1.02 0.01 2 555 81 81 VAL CA C 58.3 0.2 1 556 81 81 VAL CB C 31.5 0.2 1 557 81 81 VAL CG1 C 22.4 0.2 1 558 81 81 VAL CG2 C 20.7 0.2 1 559 81 81 VAL N N 121.6 0.2 1 560 82 82 VAL H H 8.53 0.01 1 561 82 82 VAL HA H 3.72 0.01 1 562 82 82 VAL HB H 2.17 0.01 1 563 82 82 VAL HG1 H 1.00 0.01 2 564 82 82 VAL HG2 H 1.13 0.01 2 565 82 82 VAL CA C 66.2 0.2 1 566 82 82 VAL CB C 31.45 0.2 1 567 82 82 VAL CG1 C 21.0 0.2 1 568 82 82 VAL CG2 C 23.0 0.2 1 569 82 82 VAL N N 122.4 0.2 1 570 83 83 ALA H H 7.40 0.01 1 571 83 83 ALA HA H 4.32 0.01 1 572 83 83 ALA HB H 1.54 0.01 1 573 83 83 ALA CA C 52.9 0.2 1 574 83 83 ALA CB C 19.1 0.2 1 575 83 83 ALA N N 118.9 0.2 1 576 84 84 GLY H H 7.60 0.01 1 577 84 84 GLY HA2 H 3.67 0.01 2 578 84 84 GLY HA3 H 4.50 0.01 2 579 84 84 GLY CA C 44.4 0.2 1 580 84 84 GLY N N 104.1 0.2 1 581 85 85 ALA H H 8.34 0.01 1 582 85 85 ALA HA H 4.36 0.01 1 583 85 85 ALA HB H 0.96 0.01 1 584 85 85 ALA CA C 52.1 0.2 1 585 85 85 ALA CB C 20.1 0.2 1 586 85 85 ALA N N 124.6 0.2 1 587 86 86 GLU H H 7.94 0.01 1 588 86 86 GLU HA H 4.17 0.01 1 589 86 86 GLU HB2 H 2.09 0.01 2 590 86 86 GLU HB3 H 2.14 0.01 2 591 86 86 GLU HG2 H 2.06 0.01 2 592 86 86 GLU HG3 H 2.36 0.01 2 593 86 86 GLU CA C 56.8 0.2 1 594 86 86 GLU CB C 30.2 0.2 1 595 86 86 GLU CG C 35.9 0.2 1 596 86 86 GLU N N 121.5 0.2 1 597 87 87 ASP H H 8.99 0.01 1 598 87 87 ASP HA H 4.78 0.01 1 599 87 87 ASP HB2 H 2.54 0.01 2 600 87 87 ASP HB3 H 3.20 0.01 2 601 87 87 ASP CA C 53.5 0.2 1 602 87 87 ASP CB C 40.9 0.2 1 603 87 87 ASP N N 127.2 0.2 1 604 88 88 GLN H H 9.38 0.01 1 605 88 88 GLN HA H 4.70 0.01 1 606 88 88 GLN HB2 H 1.95 0.01 2 607 88 88 GLN HB3 H 2.41 0.01 2 608 88 88 GLN HG2 H 2.32 0.01 2 609 88 88 GLN HG3 H 2.18 0.01 2 610 88 88 GLN HE21 H 6.77 0.01 2 611 88 88 GLN HE22 H 7.63 0.01 2 612 88 88 GLN CB C 27.9 0.2 1 613 88 88 GLN CG C 33.7 0.2 1 614 88 88 GLN N N 126.6 0.2 1 615 88 88 GLN NE2 N 111.6 0.2 1 616 89 89 ARG H H 8.17 0.01 1 617 89 89 ARG HA H 4.14 0.01 1 618 89 89 ARG HB2 H 1.50 0.01 2 619 89 89 ARG HB3 H 1.96 0.01 2 620 89 89 ARG HG2 H 1.68 0.01 1 621 89 89 ARG HG3 H 1.68 0.01 1 622 89 89 ARG HD2 H 3.12 0.01 2 623 89 89 ARG HD3 H 3.00 0.01 2 624 89 89 ARG CA C 57.7 0.2 1 625 89 89 ARG CB C 31.1 0.2 1 626 89 89 ARG CG C 26.3 0.2 1 627 89 89 ARG CD C 43.5 0.2 1 628 89 89 ARG N N 120.5 0.2 1 629 90 90 ARG H H 8.77 0.01 1 630 90 90 ARG HA H 4.34 0.01 1 631 90 90 ARG HB2 H 1.85 0.01 2 632 90 90 ARG HB3 H 1.83 0.01 2 633 90 90 ARG HG2 H 1.48 0.01 2 634 90 90 ARG HG3 H 1.65 0.01 2 635 90 90 ARG HD2 H 3.09 0.01 1 636 90 90 ARG HD3 H 3.09 0.01 1 637 90 90 ARG CA C 56.4 0.2 1 638 90 90 ARG CB C 31.4 0.2 1 639 90 90 ARG CG C 27.4 0.2 1 640 90 90 ARG CD C 43.3 0.2 1 641 91 91 HIS H H 8.42 0.01 1 642 91 91 HIS HA H 4.58 0.01 1 643 91 91 HIS HB2 H 3.05 0.01 1 644 91 91 HIS HB3 H 3.05 0.01 1 645 91 91 HIS CA C 56.4 0.2 1 646 91 91 HIS CB C 31.0 0.2 1 647 92 92 LEU H H 8.13 0.01 1 648 92 92 LEU HA H 4.33 0.01 1 649 92 92 LEU HB2 H 1.51 0.01 2 650 92 92 LEU HB3 H 1.60 0.01 2 651 92 92 LEU HG H 1.40 0.01 1 652 92 92 LEU HD1 H 0.78 0.01 2 653 92 92 LEU HD2 H 0.83 0.01 2 654 92 92 LEU CA C 54.7 0.2 1 655 92 92 LEU CB C 41.9 0.2 1 656 92 92 LEU CG C 26.6 0.2 1 657 92 92 LEU CD1 C 23.0 0.2 1 658 92 92 LEU CD2 C 24.9 0.2 1 659 92 92 LEU N N 123.4 0.2 1 660 93 93 MET H H 8.32 0.01 1 661 93 93 MET HA H 4.49 0.01 1 662 93 93 MET HB2 H 2.31 0.01 2 663 93 93 MET HG2 H 2.30 0.01 2 664 93 93 MET HG3 H 2.40 0.01 2 665 93 93 MET CA C 55.2 0.2 1 666 93 93 MET CB C 33.0 0.2 1 667 93 93 MET CG C 36.0 0.2 1 668 93 93 MET N N 121.0 0.2 1 669 94 94 ALA H H 8.33 0.01 1 670 94 94 ALA HA H 4.32 0.01 1 671 94 94 ALA HB H 1.41 0.01 1 672 94 94 ALA CA C 52.5 0.2 1 673 94 94 ALA CB C 19.3 0.2 1 674 94 94 ALA N N 124.6 0.2 1 675 95 95 ASP HA H 4.64 0.01 1 676 95 95 ASP HB2 H 2.69 0.01 2 677 95 95 ASP HB3 H 2.81 0.01 2 678 95 95 ASP CB C 40.8 0.2 1 stop_ save_