data_6514 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Psuedomonas Aeruginosa protein PA4608 ; _BMRB_accession_number 6514 _BMRB_flat_file_name bmr6514.str _Entry_type original _Submission_date 2005-02-17 _Accession_date 2005-02-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Northeast Structural Genomics Target PaT7' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Yee Adelinda A. . 3 Arrowsmith Cheryl H. . 4 Kennedy Michael A . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 639 "13C chemical shifts" 486 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-04-19 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 Pseudomonas Aeruginosa PA4608. Northeast Structural Genomics Target PaT7.' _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A . 2 Yee Adelinda A . 3 Arrowsmith Cheryl H. . 4 Kennedy Michael A. . stop_ _Journal_abbreviation . _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 PA4608 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PA4608 $PA4608 stop_ _System_molecular_weight 14.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'protein monomer' save_ ######################## # Monomeric polymers # ######################## save_PA4608 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PA4608 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; MGSSHHHHHHSSGRENLYFQ GHMSDQHDERRRFHRIAFDA DSEILQGERRWEVLLHDVSL HGILVGQPQDWNGDPQRPFE ARLYLGLDVLIRMEISLAWA RDGLLGFECQHIDLDSISHL RRLVELNLGDEELLERELAL LVSAHDDGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -22 MET 2 -21 GLY 3 -20 SER 4 -19 SER 5 -18 HIS 6 -17 HIS 7 -16 HIS 8 -15 HIS 9 -14 HIS 10 -13 HIS 11 -12 SER 12 -11 SER 13 -10 GLY 14 -9 ARG 15 -8 GLU 16 -7 ASN 17 -6 LEU 18 -5 TYR 19 -4 PHE 20 -3 GLN 21 -2 GLY 22 -1 HIS 23 1 MET 24 2 SER 25 3 ASP 26 4 GLN 27 5 HIS 28 6 ASP 29 7 GLU 30 8 ARG 31 9 ARG 32 10 ARG 33 11 PHE 34 12 HIS 35 13 ARG 36 14 ILE 37 15 ALA 38 16 PHE 39 17 ASP 40 18 ALA 41 19 ASP 42 20 SER 43 21 GLU 44 22 ILE 45 23 LEU 46 24 GLN 47 25 GLY 48 26 GLU 49 27 ARG 50 28 ARG 51 29 TRP 52 30 GLU 53 31 VAL 54 32 LEU 55 33 LEU 56 34 HIS 57 35 ASP 58 36 VAL 59 37 SER 60 38 LEU 61 39 HIS 62 40 GLY 63 41 ILE 64 42 LEU 65 43 VAL 66 44 GLY 67 45 GLN 68 46 PRO 69 47 GLN 70 48 ASP 71 49 TRP 72 50 ASN 73 51 GLY 74 52 ASP 75 53 PRO 76 54 GLN 77 55 ARG 78 56 PRO 79 57 PHE 80 58 GLU 81 59 ALA 82 60 ARG 83 61 LEU 84 62 TYR 85 63 LEU 86 64 GLY 87 65 LEU 88 66 ASP 89 67 VAL 90 68 LEU 91 69 ILE 92 70 ARG 93 71 MET 94 72 GLU 95 73 ILE 96 74 SER 97 75 LEU 98 76 ALA 99 77 TRP 100 78 ALA 101 79 ARG 102 80 ASP 103 81 GLY 104 82 LEU 105 83 LEU 106 84 GLY 107 85 PHE 108 86 GLU 109 87 CYS 110 88 GLN 111 89 HIS 112 90 ILE 113 91 ASP 114 92 LEU 115 93 ASP 116 94 SER 117 95 ILE 118 96 SER 119 97 HIS 120 98 LEU 121 99 ARG 122 100 ARG 123 101 LEU 124 102 VAL 125 103 GLU 126 104 LEU 127 105 ASN 128 106 LEU 129 107 GLY 130 108 ASP 131 109 GLU 132 110 GLU 133 111 LEU 134 112 LEU 135 113 GLU 136 114 ARG 137 115 GLU 138 116 LEU 139 117 ALA 140 118 LEU 141 119 LEU 142 120 VAL 143 121 SER 144 122 ALA 145 123 HIS 146 124 ASP 147 125 ASP 148 126 GLY 149 127 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17496 PA4608 84.56 145 100.00 100.00 1.19e-69 PDB 1YWU "Solution Nmr Structure Of Pseudomonas Aeruginosa Protein Pa4608. Northeast Structural Genomics Target Pat7" 100.00 149 100.00 100.00 1.79e-99 PDB 2L74 "Solution Structure Of The Pilz Domain Protein Pa4608 Complex With C- Di-Gmp Identifies Charge Clustering As Molecular Readout" 84.56 145 100.00 100.00 1.19e-69 DBJ BAK87859 "hypothetical protein NCGM2_0983 [Pseudomonas aeruginosa NCGM2.S1]" 83.89 125 100.00 100.00 1.46e-80 DBJ BAP21553 "hypothetical protein NCGM1900_2451 [Pseudomonas aeruginosa]" 83.89 125 100.00 100.00 1.46e-80 DBJ BAP53111 "hypothetical protein NCGM1984_5169 [Pseudomonas aeruginosa]" 83.89 125 100.00 100.00 1.46e-80 DBJ GAA20950 "hypothetical protein NCGM1179_5821 [Pseudomonas aeruginosa NCMG1179]" 83.89 125 100.00 100.00 1.46e-80 DBJ GAJ55407 "hypothetical protein RBRAMI_4304 [Pseudomonas aeruginosa RB]" 83.89 125 100.00 100.00 1.46e-80 EMBL CAW29747 "hypothetical protein PLES_49931 [Pseudomonas aeruginosa LESB58]" 83.89 125 100.00 100.00 1.46e-80 EMBL CCQ83984 "hypothetical protein PA18A_562 [Pseudomonas aeruginosa 18A]" 83.89 125 100.00 100.00 1.46e-80 EMBL CDH73305 "hypothetical protein P38_5109 [Pseudomonas aeruginosa MH38]" 83.89 125 100.00 100.00 1.46e-80 EMBL CDH79614 "hypothetical protein PAMH27_5249 [Pseudomonas aeruginosa MH27]" 83.89 125 100.00 100.00 1.46e-80 EMBL CDI93152 "type IV pilus assembly PilZ [Pseudomonas aeruginosa PA38182]" 83.89 125 100.00 100.00 1.46e-80 GB AAG07996 "hypothetical protein PA4608 [Pseudomonas aeruginosa PAO1]" 83.89 125 100.00 100.00 1.46e-80 GB ABJ13986 "conserved hypothetical protein [Pseudomonas aeruginosa UCBPP-PA14]" 83.89 125 100.00 100.00 1.46e-80 GB ABR81943 "hypothetical protein PSPA7_5248 [Pseudomonas aeruginosa PA7]" 83.89 125 99.20 100.00 8.46e-80 GB AEO77182 "hypothetical protein PAM18_4702 [Pseudomonas aeruginosa M18]" 83.89 125 100.00 100.00 1.46e-80 GB AFM67158 "hypothetical protein PADK2_24475 [Pseudomonas aeruginosa DK2]" 83.89 125 100.00 100.00 1.46e-80 REF NP_253298 "hypothetical protein PA4608 [Pseudomonas aeruginosa PAO1]" 83.89 125 100.00 100.00 1.46e-80 REF WP_003094864 "MULTISPECIES: pilus assembly protein [Pseudomonas]" 83.89 125 100.00 100.00 1.46e-80 REF WP_003123411 "pilus assembly protein [Pseudomonas aeruginosa]" 83.89 125 99.20 100.00 4.96e-80 REF WP_003153057 "pilus assembly protein [Pseudomonas aeruginosa]" 83.89 125 99.20 100.00 8.46e-80 REF WP_024914602 "pilus assembly protein [Pseudomonas aeruginosa]" 83.89 125 98.40 100.00 2.69e-79 SP Q9HVI1 "RecName: Full=Cyclic diguanosine monophosphate-binding protein PA4608; Short=c-di-GMP-binding protein PA4608; AltName: Full=Pil" 83.89 125 100.00 100.00 1.46e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PA4608 '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_type _Vector_name $PA4608 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pet11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PA4608 1 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Inova' _Field_strength 600 _Details . save_ save_750MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Inova' _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.1 0.1 pH temperature 293 1 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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 $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name PA4608 _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 36 ILE HA H 3.84 0.02 1 2 14 36 ILE HB H 2.05 0.02 1 3 14 36 ILE HG12 H 0.83 0.02 2 4 14 36 ILE HG13 H 1.61 0.02 2 5 14 36 ILE HG2 H 0.54 0.02 1 6 14 36 ILE HD1 H 0.76 0.02 1 7 14 36 ILE C C 172.7 0.2 1 8 14 36 ILE CA C 61.9 0.2 1 9 14 36 ILE CB C 36.7 0.2 1 10 14 36 ILE CG1 C 27.6 0.2 1 11 14 36 ILE CG2 C 17.8 0.2 1 12 14 36 ILE CD1 C 13.0 0.2 1 13 15 37 ALA H H 7.44 0.02 1 14 15 37 ALA HA H 4.22 0.02 1 15 15 37 ALA HB H 1.11 0.02 1 16 15 37 ALA CA C 51.1 0.2 1 17 15 37 ALA CB C 20.3 0.2 1 18 15 37 ALA N N 126.2 0.2 1 19 16 38 PHE H H 7.24 0.02 1 20 16 38 PHE HA H 4.60 0.02 1 21 16 38 PHE HB2 H 2.84 0.02 2 22 16 38 PHE HB3 H 3.09 0.02 2 23 16 38 PHE HD1 H 6.85 0.02 1 24 16 38 PHE HD2 H 6.85 0.02 1 25 16 38 PHE HE1 H 6.85 0.02 1 26 16 38 PHE HE2 H 6.85 0.02 1 27 16 38 PHE HZ H 6.80 0.02 1 28 16 38 PHE CA C 55.9 0.2 1 29 16 38 PHE CB C 39.9 0.2 1 30 16 38 PHE CD1 C 132.2 0.2 1 31 16 38 PHE CD2 C 132.2 0.2 1 32 16 38 PHE CE1 C 130.6 0.2 1 33 16 38 PHE CE2 C 130.6 0.2 1 34 16 38 PHE CZ C 128.8 0.2 1 35 16 38 PHE N N 117.2 0.2 1 36 17 39 ASP HA H 4.64 0.02 1 37 17 39 ASP HB2 H 2.57 0.02 2 38 17 39 ASP HB3 H 2.70 0.02 2 39 17 39 ASP C C 174.8 0.2 1 40 17 39 ASP CA C 54.2 0.2 1 41 17 39 ASP CB C 40.4 0.2 1 42 18 40 ALA H H 7.81 0.02 1 43 18 40 ALA HA H 4.62 0.02 1 44 18 40 ALA HB H 1.19 0.02 1 45 18 40 ALA C C 176.4 0.2 1 46 18 40 ALA CA C 51.5 0.2 1 47 18 40 ALA CB C 21.5 0.2 1 48 18 40 ALA N N 123.98 0.2 1 49 19 41 ASP H H 8.32 0.02 1 50 19 41 ASP HA H 5.01 0.02 1 51 19 41 ASP HB2 H 2.67 0.02 2 52 19 41 ASP HB3 H 2.78 0.02 2 53 19 41 ASP C C 175.5 0.2 1 54 19 41 ASP CA C 54.5 0.2 1 55 19 41 ASP CB C 41.7 0.2 1 56 19 41 ASP N N 121.5 0.2 1 57 20 42 SER H H 8.95 0.02 1 58 20 42 SER HA H 5.56 0.02 1 59 20 42 SER HB2 H 3.40 0.02 2 60 20 42 SER HB3 H 3.91 0.02 2 61 20 42 SER C C 173.6 0.2 1 62 20 42 SER CA C 58.1 0.2 1 63 20 42 SER CB C 64.9 0.2 1 64 20 42 SER N N 119.0 0.2 1 65 21 43 GLU H H 9.14 0.02 1 66 21 43 GLU HA H 5.55 0.02 1 67 21 43 GLU HB2 H 1.99 0.02 2 68 21 43 GLU HB3 H 2.13 0.02 2 69 21 43 GLU HG2 H 2.24 0.02 2 70 21 43 GLU HG3 H 2.44 0.02 2 71 21 43 GLU C C 174.1 0.2 1 72 21 43 GLU CA C 54.1 0.2 1 73 21 43 GLU CB C 34.3 0.2 1 74 21 43 GLU CG C 36.3 0.2 1 75 21 43 GLU N N 122.56 0.2 1 76 22 44 ILE H H 9.09 0.02 1 77 22 44 ILE HA H 5.25 0.02 1 78 22 44 ILE HB H 2.10 0.02 1 79 22 44 ILE HG12 H 1.26 0.02 2 80 22 44 ILE HG13 H 1.38 0.02 2 81 22 44 ILE HG2 H 1.02 0.02 1 82 22 44 ILE HD1 H 0.25 0.02 1 83 22 44 ILE C C 174.5 0.2 1 84 22 44 ILE CA C 58.0 0.2 1 85 22 44 ILE CB C 39.5 0.2 1 86 22 44 ILE CG1 C 27.5 0.2 1 87 22 44 ILE CG2 C 18.9 0.2 1 88 22 44 ILE CD1 C 11.0 0.2 1 89 22 44 ILE N N 119.9 0.2 1 90 23 45 LEU H H 9.79 0.02 1 91 23 45 LEU HA H 5.57 0.02 1 92 23 45 LEU HB2 H 1.69 0.02 2 93 23 45 LEU HB3 H 1.83 0.02 2 94 23 45 LEU HG H 1.64 0.02 1 95 23 45 LEU HD1 H 0.84 0.02 2 96 23 45 LEU HD2 H 0.84 0.02 2 97 23 45 LEU C C 177.1 0.2 1 98 23 45 LEU CA C 54.5 0.2 1 99 23 45 LEU CB C 45.5 0.2 1 100 23 45 LEU CG C 28.9 0.2 1 101 23 45 LEU CD1 C 25.2 0.2 1 102 23 45 LEU CD2 C 25.2 0.2 1 103 23 45 LEU N N 125.8 0.2 1 104 24 46 GLN H H 8.53 0.02 1 105 24 46 GLN HA H 4.45 0.02 1 106 24 46 GLN HB2 H 2.22 0.02 2 107 24 46 GLN HB3 H 2.33 0.02 2 108 24 46 GLN HG2 H 1.79 0.02 2 109 24 46 GLN HG3 H 2.13 0.02 2 110 24 46 GLN CA C 56.8 0.2 1 111 24 46 GLN CB C 32.8 0.2 1 112 24 46 GLN CG C 34.2 0.2 1 113 24 46 GLN N N 121.1 0.2 1 114 25 47 GLY HA2 H 3.66 0.02 2 115 25 47 GLY HA3 H 3.95 0.02 2 116 25 47 GLY CA C 47.1 0.2 1 117 26 48 GLU HA H 4.26 0.02 1 118 26 48 GLU HB2 H 1.85 0.02 2 119 26 48 GLU HB3 H 2.15 0.02 2 120 26 48 GLU HG2 H 2.22 0.02 2 121 26 48 GLU HG3 H 2.22 0.02 2 122 26 48 GLU C C 176.2 0.2 1 123 26 48 GLU CA C 56.5 0.2 1 124 26 48 GLU CB C 29.7 0.2 1 125 26 48 GLU CG C 36.3 0.2 1 126 27 49 ARG H H 7.96 0.02 1 127 27 49 ARG HA H 4.08 0.02 1 128 27 49 ARG HB2 H 0.77 0.02 2 129 27 49 ARG HB3 H 1.63 0.02 2 130 27 49 ARG HG2 H 1.30 0.02 2 131 27 49 ARG HG3 H 1.46 0.02 2 132 27 49 ARG HD2 H 3.09 0.02 1 133 27 49 ARG HD3 H 3.09 0.02 1 134 27 49 ARG C C 174.6 0.2 1 135 27 49 ARG CA C 55.4 0.2 1 136 27 49 ARG CB C 31.7 0.2 1 137 27 49 ARG CG C 27.1 0.2 1 138 27 49 ARG CD C 42.8 0.2 1 139 27 49 ARG N N 120.8 0.2 1 140 28 50 ARG H H 7.56 0.02 1 141 28 50 ARG HA H 5.10 0.02 1 142 28 50 ARG HB2 H 1.55 0.02 2 143 28 50 ARG HB3 H 1.55 0.02 2 144 28 50 ARG HG2 H 1.28 0.02 2 145 28 50 ARG HG3 H 1.39 0.02 2 146 28 50 ARG HD2 H 3.01 0.02 2 147 28 50 ARG HD3 H 3.01 0.02 2 148 28 50 ARG C C 174.4 0.2 1 149 28 50 ARG CA C 54.3 0.2 1 150 28 50 ARG CB C 34.0 0.2 1 151 28 50 ARG CG C 26.5 0.2 1 152 28 50 ARG CD C 43.5 0.2 1 153 28 50 ARG N N 120.6 0.2 1 154 29 51 TRP H H 9.70 0.02 1 155 29 51 TRP HA H 5.01 0.02 1 156 29 51 TRP HB2 H 3.18 0.02 1 157 29 51 TRP HB3 H 3.18 0.02 1 158 29 51 TRP HD1 H 7.50 0.02 1 159 29 51 TRP HE1 H 9.63 0.02 1 160 29 51 TRP HE3 H 7.90 0.02 1 161 29 51 TRP HZ2 H 7.20 0.02 1 162 29 51 TRP HZ3 H 6.96 0.02 1 163 29 51 TRP HH2 H 6.94 0.02 1 164 29 51 TRP C C 175.2 0.2 1 165 29 51 TRP CA C 58.1 0.2 1 166 29 51 TRP CB C 32.6 0.2 1 167 29 51 TRP CD1 C 127.1 0.2 1 168 29 51 TRP CE3 C 122.4 0.2 1 169 29 51 TRP CZ2 C 113.9 0.2 1 170 29 51 TRP CZ3 C 120.8 0.2 1 171 29 51 TRP CH2 C 124.0 0.2 1 172 29 51 TRP N N 123.2 0.2 1 173 29 51 TRP NE1 N 128.0 0.2 1 174 30 52 GLU H H 8.91 0.02 1 175 30 52 GLU HA H 4.73 0.02 1 176 30 52 GLU HB2 H 2.11 0.02 2 177 30 52 GLU HB3 H 2.11 0.02 2 178 30 52 GLU HG2 H 2.31 0.02 2 179 30 52 GLU HG3 H 2.46 0.02 2 180 30 52 GLU C C 176.9 0.2 1 181 30 52 GLU CA C 57.0 0.2 1 182 30 52 GLU CB C 30.2 0.2 1 183 30 52 GLU CG C 36.5 0.2 1 184 30 52 GLU N N 125.3 0.2 1 185 31 53 VAL H H 8.02 0.02 1 186 31 53 VAL HA H 5.07 0.02 1 187 31 53 VAL HB H 2.15 0.02 1 188 31 53 VAL HG1 H 0.52 0.02 1 189 31 53 VAL HG2 H 0.81 0.02 1 190 31 53 VAL C C 173.9 0.2 1 191 31 53 VAL CA C 58.4 0.2 1 192 31 53 VAL CB C 36.8 0.2 1 193 31 53 VAL CG1 C 17.9 0.2 1 194 31 53 VAL CG2 C 21.9 0.2 1 195 31 53 VAL N N 114.4 0.2 1 196 32 54 LEU H H 8.79 0.02 1 197 32 54 LEU HA H 4.57 0.02 1 198 32 54 LEU HB2 H 1.48 0.02 2 199 32 54 LEU HB3 H 1.57 0.02 2 200 32 54 LEU HG H 1.26 0.02 1 201 32 54 LEU HD1 H 0.87 0.02 1 202 32 54 LEU HD2 H 0.73 0.02 1 203 32 54 LEU C C 176.2 0.2 1 204 32 54 LEU CA C 53.4 0.2 1 205 32 54 LEU CB C 43.0 0.2 1 206 32 54 LEU CG C 27.0 0.2 1 207 32 54 LEU CD1 C 23.9 0.2 1 208 32 54 LEU CD2 C 24.8 0.2 1 209 32 54 LEU N N 123.1 0.2 1 210 33 55 LEU H H 8.73 0.02 1 211 33 55 LEU HA H 4.25 0.02 1 212 33 55 LEU HB2 H 1.46 0.02 1 213 33 55 LEU HB3 H 1.84 0.02 1 214 33 55 LEU HG H 1.30 0.02 1 215 33 55 LEU HD1 H 0.80 0.02 1 216 33 55 LEU HD2 H 0.57 0.02 1 217 33 55 LEU C C 176.0 0.2 1 218 33 55 LEU CA C 56.0 0.2 1 219 33 55 LEU CB C 43.1 0.2 1 220 33 55 LEU CG C 26.9 0.2 1 221 33 55 LEU CD1 C 24.8 0.2 1 222 33 55 LEU CD2 C 26.5 0.2 1 223 33 55 LEU N N 128.6 0.2 1 224 34 56 HIS H H 9.01 0.02 1 225 34 56 HIS HA H 4.47 0.02 1 226 34 56 HIS HB2 H 2.73 0.02 2 227 34 56 HIS HB3 H 3.10 0.02 2 228 34 56 HIS HD2 H 6.86 0.02 1 229 34 56 HIS HE1 H 7.27 0.02 1 230 34 56 HIS C C 174.0 0.2 1 231 34 56 HIS CA C 59.0 0.2 1 232 34 56 HIS CB C 33.1 0.2 1 233 34 56 HIS CD2 C 115.5 0.2 1 234 34 56 HIS CE1 C 137.6 0.2 1 235 34 56 HIS N N 125.7 0.2 1 236 35 57 ASP H H 8.09 0.02 1 237 35 57 ASP HA H 5.15 0.02 1 238 35 57 ASP HB2 H 2.37 0.02 2 239 35 57 ASP HB3 H 3.61 0.02 2 240 35 57 ASP C C 173.5 0.2 1 241 35 57 ASP CA C 53.0 0.2 1 242 35 57 ASP CB C 43.7 0.2 1 243 35 57 ASP N N 115.0 0.2 1 244 36 58 VAL H H 8.98 0.02 1 245 36 58 VAL HA H 4.80 0.02 1 246 36 58 VAL HB H 2.07 0.02 1 247 36 58 VAL HG1 H 0.76 0.02 1 248 36 58 VAL HG2 H 1.04 0.02 1 249 36 58 VAL C C 169.8 0.2 1 250 36 58 VAL CA C 60.4 0.2 1 251 36 58 VAL CB C 35.5 0.2 1 252 36 58 VAL CG1 C 19.4 0.2 1 253 36 58 VAL CG2 C 22.5 0.2 1 254 36 58 VAL N N 121.4 0.2 1 255 37 59 SER H H 8.69 0.02 1 256 37 59 SER HA H 4.53 0.02 1 257 37 59 SER HB2 H 3.89 0.02 2 258 37 59 SER HB3 H 4.47 0.02 2 259 37 59 SER C C 171.7 0.2 1 260 37 59 SER CA C 56.3 0.2 1 261 37 59 SER CB C 66.4 0.2 1 262 37 59 SER N N 118.3 0.2 1 263 38 60 LEU H H 8.69 0.02 1 264 38 60 LEU HA H 3.93 0.02 1 265 38 60 LEU HB2 H 1.04 0.02 2 266 38 60 LEU HB3 H 1.10 0.02 2 267 38 60 LEU HG H 1.62 0.02 1 268 38 60 LEU HD1 H 0.73 0.02 1 269 38 60 LEU HD2 H 0.78 0.02 1 270 38 60 LEU C C 176.0 0.2 1 271 38 60 LEU CA C 56.7 0.2 1 272 38 60 LEU CB C 40.7 0.2 1 273 38 60 LEU CG C 27.4 0.2 1 274 38 60 LEU CD1 C 25.4 0.2 1 275 38 60 LEU CD2 C 23.9 0.2 1 276 38 60 LEU N N 112.7 0.2 1 277 39 61 HIS H H 8.01 0.02 1 278 39 61 HIS HA H 4.73 0.02 1 279 39 61 HIS HB2 H 2.90 0.02 2 280 39 61 HIS HB3 H 3.42 0.02 2 281 39 61 HIS HD2 H 6.61 0.02 1 282 39 61 HIS HE1 H 5.90 0.02 1 283 39 61 HIS C C 177.5 0.2 1 284 39 61 HIS CA C 55.8 0.2 1 285 39 61 HIS CB C 32.2 0.2 1 286 39 61 HIS CD2 C 119.8 0.2 1 287 39 61 HIS CE1 C 138.6 0.2 1 288 39 61 HIS N N 111.0 0.2 1 289 40 62 GLY H H 7.71 0.02 1 290 40 62 GLY HA2 H 4.03 0.02 2 291 40 62 GLY HA3 H 4.34 0.02 2 292 40 62 GLY C C 168.1 0.2 1 293 40 62 GLY CA C 46.4 0.2 1 294 40 62 GLY N N 111.4 0.2 1 295 41 63 ILE H H 8.48 0.02 1 296 41 63 ILE HA H 4.66 0.02 1 297 41 63 ILE HB H 1.73 0.02 1 298 41 63 ILE HG12 H 0.81 0.02 2 299 41 63 ILE HG13 H 1.64 0.02 2 300 41 63 ILE HG2 H 0.71 0.02 1 301 41 63 ILE HD1 H 0.54 0.02 1 302 41 63 ILE C C 170.4 0.2 1 303 41 63 ILE CA C 60.8 0.2 1 304 41 63 ILE CB C 41.8 0.2 1 305 41 63 ILE CG1 C 27.8 0.2 1 306 41 63 ILE CG2 C 16.8 0.2 1 307 41 63 ILE CD1 C 14.2 0.2 1 308 41 63 ILE N N 113.1 0.2 1 309 42 64 LEU H H 8.45 0.02 1 310 42 64 LEU HA H 5.25 0.02 1 311 42 64 LEU HB2 H 1.79 0.02 2 312 42 64 LEU HB3 H 1.05 0.02 2 313 42 64 LEU HG H 1.15 0.02 1 314 42 64 LEU HD1 H 0.86 0.02 1 315 42 64 LEU HD2 H 0.64 0.02 1 316 42 64 LEU C C 175.8 0.2 1 317 42 64 LEU CA C 53.4 0.2 1 318 42 64 LEU CB C 46.3 0.2 1 319 42 64 LEU CG C 27.5 0.2 1 320 42 64 LEU CD1 C 25.3 0.2 1 321 42 64 LEU CD2 C 25.4 0.2 1 322 42 64 LEU N N 128.5 0.2 1 323 43 65 VAL H H 8.65 0.02 1 324 43 65 VAL HA H 5.46 0.02 1 325 43 65 VAL HB H 2.13 0.02 1 326 43 65 VAL HG1 H 0.79 0.02 1 327 43 65 VAL HG2 H 0.67 0.02 1 328 43 65 VAL C C 174.5 0.2 1 329 43 65 VAL CA C 57.5 0.2 1 330 43 65 VAL CB C 35.9 0.2 1 331 43 65 VAL CG1 C 21.6 0.2 1 332 43 65 VAL CG2 C 19.7 0.2 1 333 43 65 VAL N N 117.5 0.2 1 334 44 66 GLY H H 8.96 0.02 1 335 44 66 GLY HA2 H 3.78 0.02 2 336 44 66 GLY HA3 H 4.27 0.02 2 337 44 66 GLY C C 174.3 0.2 1 338 44 66 GLY CA C 44.9 0.2 1 339 44 66 GLY N N 106.9 0.2 1 340 45 67 GLN H H 8.61 0.02 1 341 45 67 GLN HA H 3.73 0.02 1 342 45 67 GLN HB2 H 1.31 0.02 2 343 45 67 GLN HB3 H 1.64 0.02 2 344 45 67 GLN HG2 H 2.32 0.02 2 345 45 67 GLN HG3 H 2.32 0.02 2 346 45 67 GLN HE21 H 7.70 0.02 1 347 45 67 GLN HE22 H 6.87 0.02 1 348 45 67 GLN CA C 54.0 0.2 1 349 45 67 GLN CB C 29.2 0.2 1 350 45 67 GLN CG C 33.2 0.2 1 351 45 67 GLN N N 126.8 0.2 1 352 45 67 GLN NE2 N 112.6 0.2 1 353 46 68 PRO HD2 H 3.05 0.02 2 354 46 68 PRO HD3 H 3.75 0.02 2 355 46 68 PRO CD C 50.2 0.2 1 356 47 69 GLN HA H 4.14 0.02 1 357 47 69 GLN HB2 H 2.15 0.02 2 358 47 69 GLN HB3 H 2.15 0.02 2 359 47 69 GLN HG2 H 2.49 0.02 2 360 47 69 GLN HG3 H 2.49 0.02 2 361 47 69 GLN C C 176.2 0.2 1 362 47 69 GLN CA C 57.9 0.2 1 363 47 69 GLN CB C 28.7 0.2 1 364 47 69 GLN CG C 33.7 0.2 1 365 48 70 ASP H H 8.96 0.02 1 366 48 70 ASP HA H 4.61 0.02 1 367 48 70 ASP HB2 H 2.85 0.02 2 368 48 70 ASP HB3 H 2.85 0.02 2 369 48 70 ASP C C 176.3 0.2 1 370 48 70 ASP CA C 53.5 0.2 1 371 48 70 ASP CB C 39.4 0.2 1 372 48 70 ASP N N 118.1 0.2 1 373 49 71 TRP H H 7.66 0.02 1 374 49 71 TRP HA H 4.27 0.02 1 375 49 71 TRP HB2 H 3.07 0.02 2 376 49 71 TRP HB3 H 3.10 0.02 2 377 49 71 TRP HD1 H 6.98 0.02 1 378 49 71 TRP HE1 H 10.13 0.02 1 379 49 71 TRP HE3 H 5.94 0.02 1 380 49 71 TRP HZ2 H 6.77 0.02 1 381 49 71 TRP HZ3 H 5.46 0.02 1 382 49 71 TRP HH2 H 6.35 0.02 1 383 49 71 TRP CA C 57.5 0.2 1 384 49 71 TRP CB C 30.3 0.2 1 385 49 71 TRP CD1 C 128.0 0.2 1 386 49 71 TRP CE3 C 119.1 0.2 1 387 49 71 TRP CZ2 C 113.3 0.2 1 388 49 71 TRP CZ3 C 121.0 0.2 1 389 49 71 TRP CH2 C 124.5 0.2 1 390 49 71 TRP N N 118.9 0.2 1 391 49 71 TRP NE1 N 130.4 0.2 1 392 50 72 ASN H H 5.62 0.02 1 393 50 72 ASN HB2 H 2.50 0.02 2 394 50 72 ASN HB3 H 2.74 0.02 2 395 50 72 ASN HD21 H 7.70 0.02 2 396 50 72 ASN HD22 H 6.92 0.02 2 397 50 72 ASN C C 178.6 0.2 1 398 50 72 ASN N N 118.1 0.2 1 399 50 72 ASN ND2 N 112.8 0.2 1 400 51 73 GLY H H 6.64 0.02 1 401 51 73 GLY HA2 H 2.40 0.02 2 402 51 73 GLY HA3 H 3.63 0.02 2 403 51 73 GLY C C 170.9 0.2 1 404 51 73 GLY CA C 45.91 0.2 1 405 51 73 GLY N N 118.0 0.2 1 406 52 74 ASP H H 9.41 0.02 1 407 52 74 ASP HA H 4.96 0.02 1 408 52 74 ASP HB2 H 2.52 0.02 2 409 52 74 ASP HB3 H 2.76 0.02 2 410 52 74 ASP CA C 50.5 0.2 1 411 52 74 ASP CB C 41.5 0.2 1 412 52 74 ASP N N 123.6 0.2 1 413 53 75 PRO HA H 4.58 0.02 1 414 53 75 PRO HB2 H 2.13 0.02 2 415 53 75 PRO HB3 H 2.41 0.02 2 416 53 75 PRO HG2 H 1.99 0.02 2 417 53 75 PRO HG3 H 2.06 0.02 2 418 53 75 PRO HD2 H 3.96 0.02 2 419 53 75 PRO HD3 H 4.29 0.02 2 420 53 75 PRO C C 177.8 0.2 1 421 53 75 PRO CA C 64.0 0.2 1 422 53 75 PRO CB C 32.9 0.2 1 423 53 75 PRO CG C 27.1 0.2 1 424 53 75 PRO CD C 51.1 0.2 1 425 54 76 GLN H H 8.51 0.02 1 426 54 76 GLN HA H 4.39 0.02 1 427 54 76 GLN HB2 H 2.08 0.02 1 428 54 76 GLN HB3 H 2.32 0.02 1 429 54 76 GLN HG2 H 2.32 0.02 2 430 54 76 GLN HG3 H 2.43 0.02 2 431 54 76 GLN C C 175.3 0.2 1 432 54 76 GLN CA C 55.8 0.2 1 433 54 76 GLN CB C 28.9 0.2 1 434 54 76 GLN CG C 34.7 0.2 1 435 54 76 GLN N N 116.2 0.2 1 436 55 77 ARG H H 7.39 0.02 1 437 55 77 ARG HA H 4.83 0.02 1 438 55 77 ARG HB2 H 1.42 0.02 2 439 55 77 ARG HB3 H 1.77 0.02 2 440 55 77 ARG HG2 H 1.47 0.02 2 441 55 77 ARG HG3 H 1.54 0.02 2 442 55 77 ARG HD2 H 3.10 0.02 2 443 55 77 ARG HD3 H 3.10 0.02 2 444 55 77 ARG CA C 53.1 0.2 1 445 55 77 ARG CB C 32.6 0.2 1 446 55 77 ARG CG C 27.3 0.2 1 447 55 77 ARG CD C 43.5 0.2 1 448 55 77 ARG N N 119.4 0.2 1 449 56 78 PRO HA H 4.75 0.02 1 450 56 78 PRO HB2 H 2.02 0.02 2 451 56 78 PRO HB3 H 2.53 0.02 2 452 56 78 PRO HG2 H 2.01 0.02 2 453 56 78 PRO HG3 H 2.01 0.02 2 454 56 78 PRO HD2 H 3.53 0.02 2 455 56 78 PRO HD3 H 3.78 0.02 2 456 56 78 PRO C C 176.4 0.2 1 457 56 78 PRO CA C 63.3 0.2 1 458 56 78 PRO CB C 33.3 0.2 1 459 56 78 PRO CG C 27.4 0.2 1 460 56 78 PRO CD C 50.3 0.2 1 461 57 79 PHE H H 8.98 0.02 1 462 57 79 PHE HA H 5.39 0.02 1 463 57 79 PHE HB2 H 2.73 0.02 2 464 57 79 PHE HB3 H 3.01 0.02 2 465 57 79 PHE HD1 H 7.36 0.02 3 466 57 79 PHE HD2 H 7.36 0.02 3 467 57 79 PHE HE1 H 6.67 0.02 3 468 57 79 PHE HE2 H 6.67 0.02 3 469 57 79 PHE C C 175.3 0.2 1 470 57 79 PHE CA C 56.1 0.2 1 471 57 79 PHE CB C 43.7 0.2 1 472 57 79 PHE CD1 C 132.7 0.2 3 473 57 79 PHE CD2 C 132.7 0.2 3 474 57 79 PHE CE1 C 129.3 0.2 3 475 57 79 PHE CE2 C 129.3 0.2 3 476 57 79 PHE N N 117.8 0.2 1 477 58 80 GLU H H 9.32 0.02 1 478 58 80 GLU HA H 5.37 0.02 1 479 58 80 GLU HB2 H 2.06 0.02 2 480 58 80 GLU HB3 H 2.06 0.02 2 481 58 80 GLU HG2 H 2.07 0.02 2 482 58 80 GLU HG3 H 2.27 0.02 2 483 58 80 GLU C C 174.6 0.2 1 484 58 80 GLU CA C 55.1 0.2 1 485 58 80 GLU CB C 34.4 0.2 1 486 58 80 GLU CG C 37.6 0.2 1 487 58 80 GLU N N 122.5 0.2 1 488 59 81 ALA H H 9.31 0.02 1 489 59 81 ALA HA H 5.40 0.02 1 490 59 81 ALA HB H 1.05 0.02 1 491 59 81 ALA C C 176.2 0.2 1 492 59 81 ALA CA C 49.9 0.2 1 493 59 81 ALA CB C 21.1 0.2 1 494 59 81 ALA N N 125.7 0.2 1 495 60 82 ARG H H 8.82 0.02 1 496 60 82 ARG HA H 4.98 0.02 1 497 60 82 ARG HB2 H 1.26 0.02 2 498 60 82 ARG HB3 H 1.55 0.02 2 499 60 82 ARG HG2 H 1.40 0.02 2 500 60 82 ARG HG3 H 1.40 0.02 2 501 60 82 ARG HD2 H 3.14 0.02 2 502 60 82 ARG HD3 H 3.14 0.02 2 503 60 82 ARG C C 173.4 0.2 1 504 60 82 ARG CA C 55.3 0.2 1 505 60 82 ARG CB C 33.5 0.2 1 506 60 82 ARG CG C 28.3 0.2 1 507 60 82 ARG CD C 43.5 0.2 1 508 60 82 ARG N N 119.4 0.2 1 509 61 83 LEU H H 9.02 0.02 1 510 61 83 LEU HA H 4.98 0.02 1 511 61 83 LEU HB2 H 1.10 0.02 2 512 61 83 LEU HB3 H 1.77 0.02 2 513 61 83 LEU HG H 1.57 0.02 1 514 61 83 LEU HD1 H 0.72 0.02 1 515 61 83 LEU HD2 H 0.74 0.02 1 516 61 83 LEU C C 175.0 0.2 1 517 61 83 LEU CA C 52.8 0.2 1 518 61 83 LEU CB C 42.3 0.2 1 519 61 83 LEU CG C 27.4 0.2 1 520 61 83 LEU CD1 C 24.6 0.2 1 521 61 83 LEU CD2 C 23.7 0.2 1 522 61 83 LEU N N 123.1 0.2 1 523 62 84 TYR H H 9.03 0.02 1 524 62 84 TYR HA H 4.89 0.02 1 525 62 84 TYR HB2 H 3.05 0.02 1 526 62 84 TYR HB3 H 3.05 0.02 1 527 62 84 TYR HD1 H 7.13 0.02 1 528 62 84 TYR HD2 H 7.13 0.02 1 529 62 84 TYR HE1 H 6.63 0.02 1 530 62 84 TYR HE2 H 6.63 0.02 1 531 62 84 TYR C C 176.1 0.2 1 532 62 84 TYR CA C 57.4 0.2 1 533 62 84 TYR CB C 38.5 0.2 1 534 62 84 TYR CD1 C 133.8 0.2 1 535 62 84 TYR CD2 C 133.8 0.2 1 536 62 84 TYR CE1 C 117.9 0.2 1 537 62 84 TYR CE2 C 117.9 0.2 1 538 62 84 TYR N N 122.6 0.2 1 539 63 85 LEU H H 8.20 0.02 1 540 63 85 LEU HA H 4.56 0.02 1 541 63 85 LEU HB2 H 1.23 0.02 2 542 63 85 LEU HB3 H 1.56 0.02 2 543 63 85 LEU HG H 1.46 0.02 1 544 63 85 LEU HD1 H 0.52 0.02 2 545 63 85 LEU HD2 H 0.53 0.02 2 546 63 85 LEU C C 176.2 0.2 1 547 63 85 LEU CA C 54.6 0.2 1 548 63 85 LEU CB C 42.2 0.2 1 549 63 85 LEU CG C 28.1 0.2 1 550 63 85 LEU CD1 C 25.1 0.2 2 551 63 85 LEU CD2 C 25.3 0.2 2 552 63 85 LEU N N 126.1 0.2 1 553 64 86 GLY H H 7.82 0.02 1 554 64 86 GLY HA2 H 3.72 0.02 2 555 64 86 GLY HA3 H 4.01 0.02 2 556 64 86 GLY CA C 44.7 0.2 1 557 64 86 GLY N N 108.5 0.2 1 558 65 87 LEU HA H 4.09 0.02 1 559 65 87 LEU HB2 H 1.50 0.02 2 560 65 87 LEU HB3 H 1.64 0.02 2 561 65 87 LEU HG H 1.55 0.02 1 562 65 87 LEU HD1 H 0.82 0.02 2 563 65 87 LEU HD2 H 0.85 0.02 2 564 65 87 LEU C C 177.5 0.2 1 565 65 87 LEU CA C 56.4 0.2 1 566 65 87 LEU CB C 41.2 0.2 1 567 65 87 LEU CG C 26.9 0.2 1 568 65 87 LEU CD1 C 23.4 0.2 2 569 65 87 LEU CD2 C 24.8 0.2 2 570 66 88 ASP H H 8.43 0.02 1 571 66 88 ASP HA H 4.55 0.02 1 572 66 88 ASP HB2 H 2.73 0.02 2 573 66 88 ASP HB3 H 2.73 0.02 2 574 66 88 ASP C C 175.3 0.2 1 575 66 88 ASP CA C 54.7 0.2 1 576 66 88 ASP CB C 40.8 0.2 1 577 66 88 ASP N N 115.5 0.2 1 578 67 89 VAL H H 7.37 0.02 1 579 67 89 VAL HA H 3.63 0.02 1 580 67 89 VAL HB H 1.81 0.02 1 581 67 89 VAL HG1 H 0.12 0.02 1 582 67 89 VAL HG2 H 0.60 0.02 1 583 67 89 VAL C C 173.0 0.2 1 584 67 89 VAL CA C 62.9 0.2 1 585 67 89 VAL CB C 32.0 0.2 1 586 67 89 VAL CG1 C 20.6 0.2 1 587 67 89 VAL CG2 C 20.7 0.2 1 588 67 89 VAL N N 120.2 0.2 1 589 68 90 LEU H H 7.88 0.02 1 590 68 90 LEU HA H 4.92 0.02 1 591 68 90 LEU HB2 H 1.22 0.02 2 592 68 90 LEU HB3 H 1.57 0.02 2 593 68 90 LEU HG H 1.16 0.02 1 594 68 90 LEU HD1 H 0.40 0.02 1 595 68 90 LEU HD2 H 0.70 0.02 1 596 68 90 LEU C C 174.8 0.2 1 597 68 90 LEU CA C 53.6 0.2 1 598 68 90 LEU CB C 44.5 0.2 1 599 68 90 LEU CG C 27.6 0.2 1 600 68 90 LEU CD1 C 23.8 0.2 1 601 68 90 LEU CD2 C 25.7 0.2 1 602 68 90 LEU N N 130.5 0.2 1 603 69 91 ILE H H 8.81 0.02 1 604 69 91 ILE HA H 4.29 0.02 1 605 69 91 ILE HB H 1.76 0.02 1 606 69 91 ILE HG12 H 1.22 0.02 2 607 69 91 ILE HG13 H 1.42 0.02 2 608 69 91 ILE HG2 H 0.77 0.02 1 609 69 91 ILE HD1 H 0.65 0.02 1 610 69 91 ILE C C 173.4 0.2 1 611 69 91 ILE CA C 60.1 0.2 1 612 69 91 ILE CB C 39.4 0.2 1 613 69 91 ILE CG1 C 28.3 0.2 1 614 69 91 ILE CG2 C 17.3 0.2 1 615 69 91 ILE CD1 C 14.2 0.2 1 616 69 91 ILE N N 126.2 0.2 1 617 70 92 ARG H H 8.85 0.02 1 618 70 92 ARG HA H 5.43 0.02 1 619 70 92 ARG HB2 H 1.55 0.02 2 620 70 92 ARG HB3 H 1.75 0.02 2 621 70 92 ARG HG2 H 1.37 0.02 2 622 70 92 ARG HG3 H 1.55 0.02 2 623 70 92 ARG HD2 H 3.12 0.02 2 624 70 92 ARG HD3 H 3.12 0.02 2 625 70 92 ARG C C 175.3 0.2 1 626 70 92 ARG CA C 54.1 0.2 1 627 70 92 ARG CB C 33.6 0.2 1 628 70 92 ARG CG C 27.7 0.2 1 629 70 92 ARG CD C 43.4 0.2 1 630 70 92 ARG N N 126.8 0.2 1 631 71 93 MET H H 8.62 0.02 1 632 71 93 MET HA H 4.95 0.02 1 633 71 93 MET HB2 H 1.59 0.02 2 634 71 93 MET HB3 H 2.13 0.02 2 635 71 93 MET HG2 H 2.25 0.02 1 636 71 93 MET HG3 H 2.25 0.02 1 637 71 93 MET HE H 1.91 0.02 1 638 71 93 MET C C 174.8 0.2 1 639 71 93 MET CA C 54.8 0.2 1 640 71 93 MET CB C 38.9 0.2 1 641 71 93 MET CG C 32.1 0.2 1 642 71 93 MET CE C 17.0 0.2 1 643 71 93 MET N N 119.1 0.2 1 644 72 94 GLU H H 9.19 0.02 1 645 72 94 GLU HA H 4.93 0.02 1 646 72 94 GLU HB2 H 2.22 0.02 2 647 72 94 GLU HB3 H 2.32 0.02 2 648 72 94 GLU HG2 H 2.33 0.02 2 649 72 94 GLU HG3 H 2.49 0.02 2 650 72 94 GLU C C 176.9 0.2 1 651 72 94 GLU CA C 56.8 0.2 1 652 72 94 GLU CB C 30.0 0.2 1 653 72 94 GLU CG C 36.1 0.2 1 654 72 94 GLU N N 125.1 0.2 1 655 73 95 ILE H H 8.71 0.02 1 656 73 95 ILE HA H 5.64 0.02 1 657 73 95 ILE HB H 1.84 0.02 1 658 73 95 ILE HG12 H 0.80 0.02 2 659 73 95 ILE HG13 H 1.14 0.02 2 660 73 95 ILE HG2 H 0.62 0.02 1 661 73 95 ILE HD1 H -0.34 0.02 1 662 73 95 ILE C C 173.9 0.2 1 663 73 95 ILE CA C 59.4 0.2 1 664 73 95 ILE CB C 43.1 0.2 1 665 73 95 ILE CG1 C 25.5 0.2 1 666 73 95 ILE CG2 C 18.7 0.2 1 667 73 95 ILE CD1 C 12.5 0.2 1 668 73 95 ILE N N 118.8 0.2 1 669 74 96 SER H H 9.18 0.02 1 670 74 96 SER HA H 5.25 0.02 1 671 74 96 SER HB2 H 3.84 0.02 2 672 74 96 SER HB3 H 3.92 0.02 2 673 74 96 SER C C 174.0 0.2 1 674 74 96 SER CA C 56.3 0.2 1 675 74 96 SER CB C 65.5 0.2 1 676 74 96 SER N N 114.3 0.2 1 677 75 97 LEU H H 9.44 0.02 1 678 75 97 LEU HA H 3.65 0.02 1 679 75 97 LEU HB2 H 1.16 0.02 2 680 75 97 LEU HB3 H 1.92 0.02 2 681 75 97 LEU HG H 1.00 0.02 1 682 75 97 LEU HD1 H -0.23 0.02 1 683 75 97 LEU HD2 H 0.77 0.02 1 684 75 97 LEU C C 174.8 0.2 1 685 75 97 LEU CA C 56.3 0.2 1 686 75 97 LEU CB C 41.9 0.2 1 687 75 97 LEU CG C 26.8 0.2 1 688 75 97 LEU CD1 C 22.7 0.2 1 689 75 97 LEU CD2 C 26.8 0.2 1 690 75 97 LEU N N 127.2 0.2 1 691 76 98 ALA H H 8.98 0.02 1 692 76 98 ALA HA H 4.50 0.02 1 693 76 98 ALA HB H 1.09 0.02 1 694 76 98 ALA C C 177.7 0.2 1 695 76 98 ALA CA C 52.9 0.2 1 696 76 98 ALA CB C 20.9 0.2 1 697 76 98 ALA N N 134.0 0.2 1 698 77 99 TRP H H 7.36 0.02 1 699 77 99 TRP HA H 4.51 0.02 1 700 77 99 TRP HB2 H 2.99 0.02 2 701 77 99 TRP HB3 H 3.55 0.02 2 702 77 99 TRP HD1 H 6.88 0.02 1 703 77 99 TRP HE1 H 9.91 0.02 1 704 77 99 TRP HE3 H 7.03 0.02 1 705 77 99 TRP HZ2 H 7.10 0.02 1 706 77 99 TRP HZ3 H 6.64 0.02 1 707 77 99 TRP HH2 H 6.94 0.02 1 708 77 99 TRP C C 173.2 0.2 1 709 77 99 TRP CA C 55.1 0.2 1 710 77 99 TRP CB C 31.4 0.2 1 711 77 99 TRP CD1 C 128.9 0.2 1 712 77 99 TRP CE3 C 121.7 0.2 1 713 77 99 TRP CZ2 C 113.8 0.2 1 714 77 99 TRP CZ3 C 121.0 0.2 1 715 77 99 TRP CH2 C 125.0 0.2 1 716 77 99 TRP N N 112.6 0.2 1 717 77 99 TRP NE1 N 128.8 0.2 1 718 78 100 ALA H H 8.41 0.02 1 719 78 100 ALA HA H 5.18 0.02 1 720 78 100 ALA HB H 1.20 0.02 1 721 78 100 ALA C C 176.2 0.2 1 722 78 100 ALA CA C 51.4 0.2 1 723 78 100 ALA CB C 21.6 0.2 1 724 78 100 ALA N N 122.5 0.2 1 725 79 101 ARG H H 8.47 0.02 1 726 79 101 ARG HA H 4.59 0.02 1 727 79 101 ARG HB2 H 1.49 0.02 1 728 79 101 ARG HB3 H 1.82 0.02 1 729 79 101 ARG HG2 H 1.39 0.02 2 730 79 101 ARG HG3 H 1.39 0.02 2 731 79 101 ARG HD2 H 2.64 0.02 2 732 79 101 ARG HD3 H 2.64 0.02 2 733 79 101 ARG CA C 55.8 0.2 1 734 79 101 ARG CB C 32.7 0.2 1 735 79 101 ARG CG C 26.4 0.2 1 736 79 101 ARG CD C 43.1 0.2 1 737 79 101 ARG N N 121.3 0.2 1 738 80 102 ASP HA H 4.27 0.02 1 739 80 102 ASP HB2 H 2.59 0.02 2 740 80 102 ASP HB3 H 2.87 0.02 2 741 80 102 ASP C C 175.1 0.2 1 742 80 102 ASP CA C 55.4 0.2 1 743 80 102 ASP CB C 39.9 0.2 1 744 81 103 GLY H H 8.42 0.02 1 745 81 103 GLY HA2 H 3.51 0.02 2 746 81 103 GLY HA3 H 4.10 0.02 2 747 81 103 GLY C C 174.2 0.2 1 748 81 103 GLY CA C 46.0 0.2 1 749 81 103 GLY N N 104.0 0.2 1 750 82 104 LEU H H 8.35 0.02 1 751 82 104 LEU HA H 4.85 0.02 1 752 82 104 LEU HB2 H 1.22 0.02 2 753 82 104 LEU HB3 H 2.11 0.02 2 754 82 104 LEU HG H 1.50 0.02 1 755 82 104 LEU HD1 H 0.77 0.02 1 756 82 104 LEU HD2 H 0.25 0.02 1 757 82 104 LEU C C 175.5 0.2 1 758 82 104 LEU CA C 53.4 0.2 1 759 82 104 LEU CB C 45.3 0.2 1 760 82 104 LEU CG C 26.3 0.2 1 761 82 104 LEU CD1 C 25.9 0.2 1 762 82 104 LEU CD2 C 22.3 0.2 1 763 82 104 LEU N N 123.5 0.2 1 764 83 105 LEU H H 8.79 0.02 1 765 83 105 LEU HA H 4.32 0.02 1 766 83 105 LEU HB2 H 0.12 0.02 2 767 83 105 LEU HB3 H 1.20 0.02 2 768 83 105 LEU HG H 0.59 0.02 1 769 83 105 LEU HD1 H -0.83 0.02 1 770 83 105 LEU HD2 H 0.07 0.02 1 771 83 105 LEU C C 173.4 0.2 1 772 83 105 LEU CA C 53.1 0.2 1 773 83 105 LEU CB C 43.9 0.2 1 774 83 105 LEU CG C 25.8 0.2 1 775 83 105 LEU CD1 C 24.0 0.2 1 776 83 105 LEU CD2 C 22.5 0.2 1 777 83 105 LEU N N 119.9 0.2 1 778 84 106 GLY H H 7.68 0.02 1 779 84 106 GLY HA2 H 1.15 0.02 2 780 84 106 GLY HA3 H 4.07 0.02 2 781 84 106 GLY C C 171.3 0.2 1 782 84 106 GLY CA C 44.1 0.2 1 783 84 106 GLY N N 109.9 0.2 1 784 85 107 PHE H H 8.61 0.02 1 785 85 107 PHE HA H 5.15 0.02 1 786 85 107 PHE HB2 H 2.60 0.02 2 787 85 107 PHE HB3 H 2.80 0.02 2 788 85 107 PHE HD1 H 6.54 0.02 3 789 85 107 PHE HD2 H 6.54 0.02 3 790 85 107 PHE HE1 H 6.14 0.02 3 791 85 107 PHE HE2 H 6.14 0.02 3 792 85 107 PHE C C 175.3 0.2 1 793 85 107 PHE CA C 55.8 0.2 1 794 85 107 PHE CB C 42.0 0.2 1 795 85 107 PHE CD1 C 131.5 0.2 3 796 85 107 PHE CD2 C 131.5 0.2 3 797 85 107 PHE CE1 C 128.7 0.2 3 798 85 107 PHE CE2 C 128.7 0.2 3 799 85 107 PHE N N 122.5 0.2 1 800 86 108 GLU H H 8.97 0.02 1 801 86 108 GLU HA H 4.69 0.02 1 802 86 108 GLU HB2 H 1.97 0.02 2 803 86 108 GLU HB3 H 2.06 0.02 2 804 86 108 GLU HG2 H 2.28 0.02 2 805 86 108 GLU HG3 H 2.28 0.02 2 806 86 108 GLU C C 176.1 0.2 1 807 86 108 GLU CA C 55.2 0.2 1 808 86 108 GLU CB C 32.1 0.2 1 809 86 108 GLU CG C 37.4 0.2 1 810 86 108 GLU N N 120.9 0.2 1 811 87 109 CYS H H 8.16 0.02 1 812 87 109 CYS HA H 4.51 0.02 1 813 87 109 CYS HB2 H 2.30 0.02 2 814 87 109 CYS HB3 H 2.80 0.02 2 815 87 109 CYS C C 174.3 0.2 1 816 87 109 CYS CA C 58.5 0.2 1 817 87 109 CYS CB C 27.8 0.2 1 818 87 109 CYS N N 124.2 0.2 1 819 88 110 GLN H H 9.41 0.02 1 820 88 110 GLN HA H 4.54 0.02 1 821 88 110 GLN HB2 H 1.78 0.02 2 822 88 110 GLN HB3 H 2.19 0.02 2 823 88 110 GLN HG2 H 2.33 0.02 2 824 88 110 GLN HG3 H 2.46 0.02 2 825 88 110 GLN HE21 H 7.49 0.02 1 826 88 110 GLN HE22 H 6.81 0.02 1 827 88 110 GLN C C 176.1 0.2 1 828 88 110 GLN CA C 56.4 0.2 1 829 88 110 GLN CB C 29.7 0.2 1 830 88 110 GLN CG C 33.3 0.2 1 831 88 110 GLN N N 128.4 0.2 1 832 88 110 GLN NE2 N 112.4 0.2 1 833 89 111 HIS H H 7.90 0.02 1 834 89 111 HIS HA H 4.72 0.02 1 835 89 111 HIS HB2 H 2.79 0.02 2 836 89 111 HIS HB3 H 3.22 0.02 2 837 89 111 HIS HD2 H 6.83 0.02 1 838 89 111 HIS C C 172.0 0.2 1 839 89 111 HIS CA C 58.0 0.2 1 840 89 111 HIS CB C 33.1 0.2 1 841 89 111 HIS CD2 C 121.1 0.2 1 842 89 111 HIS N N 118.0 0.2 1 843 90 112 ILE H H 7.45 0.02 1 844 90 112 ILE HA H 4.41 0.02 1 845 90 112 ILE HB H 1.67 0.02 1 846 90 112 ILE HG12 H 1.23 0.02 2 847 90 112 ILE HG13 H 1.94 0.02 2 848 90 112 ILE HG2 H 0.81 0.02 1 849 90 112 ILE HD1 H 0.66 0.02 1 850 90 112 ILE C C 172.2 0.2 1 851 90 112 ILE CA C 59.9 0.2 1 852 90 112 ILE CB C 40.9 0.2 1 853 90 112 ILE CG1 C 27.9 0.2 1 854 90 112 ILE CG2 C 14.1 0.2 1 855 90 112 ILE CD1 C 13.7 0.2 1 856 90 112 ILE N N 126.3 0.2 1 857 91 113 ASP H H 8.23 0.02 1 858 91 113 ASP HA H 4.51 0.02 1 859 91 113 ASP HB2 H 2.77 0.02 1 860 91 113 ASP HB3 H 3.06 0.02 1 861 91 113 ASP C C 175.4 0.2 1 862 91 113 ASP CA C 53.5 0.2 1 863 91 113 ASP CB C 42.2 0.2 1 864 91 113 ASP N N 124.7 0.2 1 865 92 114 LEU H H 8.52 0.02 1 866 92 114 LEU HA H 3.94 0.02 1 867 92 114 LEU HB2 H 1.57 0.02 2 868 92 114 LEU HB3 H 1.78 0.02 2 869 92 114 LEU HG H 1.78 0.02 1 870 92 114 LEU HD1 H 0.95 0.02 1 871 92 114 LEU HD2 H 0.90 0.02 1 872 92 114 LEU C C 179.8 0.2 1 873 92 114 LEU CA C 58.5 0.2 1 874 92 114 LEU CB C 41.8 0.2 1 875 92 114 LEU CG C 27.1 0.2 1 876 92 114 LEU CD1 C 24.8 0.2 1 877 92 114 LEU CD2 C 23.6 0.2 1 878 92 114 LEU N N 118.8 0.2 1 879 93 115 ASP H H 8.38 0.02 1 880 93 115 ASP HA H 4.29 0.02 1 881 93 115 ASP HB2 H 2.59 0.02 2 882 93 115 ASP HB3 H 2.77 0.02 2 883 93 115 ASP C C 178.2 0.2 1 884 93 115 ASP CA C 57.5 0.2 1 885 93 115 ASP CB C 39.9 0.2 1 886 93 115 ASP N N 120.3 0.2 1 887 94 116 SER H H 8.27 0.02 1 888 94 116 SER HA H 4.28 0.02 1 889 94 116 SER HB2 H 3.77 0.02 2 890 94 116 SER HB3 H 3.87 0.02 2 891 94 116 SER C C 175.9 0.2 1 892 94 116 SER CA C 63.7 0.2 1 893 94 116 SER CB C 62.4 0.2 1 894 94 116 SER N N 119.7 0.2 1 895 95 117 ILE H H 8.26 0.02 1 896 95 117 ILE HA H 3.35 0.02 1 897 95 117 ILE HB H 1.83 0.02 1 898 95 117 ILE HG12 H 0.68 0.02 2 899 95 117 ILE HG13 H 1.75 0.02 2 900 95 117 ILE HG2 H 0.84 0.02 1 901 95 117 ILE HD1 H 0.78 0.02 1 902 95 117 ILE C C 177.4 0.2 1 903 95 117 ILE CA C 66.6 0.2 1 904 95 117 ILE CB C 38.2 0.2 1 905 95 117 ILE CG1 C 29.1 0.2 1 906 95 117 ILE CG2 C 16.9 0.2 1 907 95 117 ILE CD1 C 13.5 0.2 1 908 95 117 ILE N N 121.5 0.2 1 909 96 118 SER H H 7.90 0.02 1 910 96 118 SER HA H 4.08 0.02 1 911 96 118 SER HB2 H 3.87 0.02 2 912 96 118 SER HB3 H 3.93 0.02 2 913 96 118 SER C C 177.6 0.2 1 914 96 118 SER CA C 62.0 0.2 1 915 96 118 SER CB C 62.2 0.2 1 916 96 118 SER N N 114.7 0.2 1 917 97 119 HIS H H 8.03 0.02 1 918 97 119 HIS HA H 4.58 0.02 1 919 97 119 HIS HB2 H 2.66 0.02 2 920 97 119 HIS HB3 H 3.10 0.02 2 921 97 119 HIS HD2 H 6.97 0.02 1 922 97 119 HIS CA C 59.1 0.2 1 923 97 119 HIS CB C 31.3 0.2 1 924 97 119 HIS CD2 C 119.5 0.2 1 925 97 119 HIS N N 120.4 0.2 1 926 98 120 LEU H H 8.08 0.02 1 927 98 120 LEU HA H 3.93 0.02 1 928 98 120 LEU HB2 H 1.35 0.02 2 929 98 120 LEU HB3 H 1.72 0.02 2 930 98 120 LEU HG H 0.63 0.02 1 931 98 120 LEU HD1 H 0.68 0.02 1 932 98 120 LEU HD2 H 0.67 0.02 1 933 98 120 LEU C C 178.3 0.2 1 934 98 120 LEU CA C 58.1 0.2 1 935 98 120 LEU CB C 41.8 0.2 1 936 98 120 LEU CG C 27.3 0.2 1 937 98 120 LEU CD1 C 24.6 0.2 1 938 98 120 LEU CD2 C 24.4 0.2 1 939 98 120 LEU N N 120.4 0.2 1 940 99 121 ARG H H 8.67 0.02 1 941 99 121 ARG HA H 3.80 0.02 1 942 99 121 ARG HB2 H 1.79 0.02 2 943 99 121 ARG HB3 H 1.79 0.02 2 944 99 121 ARG HG2 H 1.51 0.02 2 945 99 121 ARG HG3 H 1.78 0.02 2 946 99 121 ARG HD2 H 3.07 0.02 2 947 99 121 ARG HD3 H 3.18 0.02 2 948 99 121 ARG C C 178.9 0.2 1 949 99 121 ARG CA C 60.5 0.2 1 950 99 121 ARG CB C 29.6 0.2 1 951 99 121 ARG CG C 28.5 0.2 1 952 99 121 ARG CD C 43.2 0.2 1 953 99 121 ARG N N 117.0 0.2 1 954 100 122 ARG H H 7.99 0.02 1 955 100 122 ARG HA H 4.09 0.02 1 956 100 122 ARG HB2 H 1.93 0.02 2 957 100 122 ARG HB3 H 2.01 0.02 2 958 100 122 ARG HG2 H 1.56 0.02 2 959 100 122 ARG HG3 H 1.65 0.02 2 960 100 122 ARG HD2 H 3.15 0.02 2 961 100 122 ARG HD3 H 3.31 0.02 2 962 100 122 ARG C C 178.3 0.2 1 963 100 122 ARG CA C 58.9 0.2 1 964 100 122 ARG CB C 30.0 0.2 1 965 100 122 ARG CG C 27.0 0.2 1 966 100 122 ARG CD C 43.0 0.2 1 967 100 122 ARG N N 119.5 0.2 1 968 101 123 LEU H H 8.12 0.02 1 969 101 123 LEU HA H 3.93 0.02 1 970 101 123 LEU HB2 H 1.37 0.02 2 971 101 123 LEU HB3 H 1.72 0.02 2 972 101 123 LEU HG H 1.56 0.02 1 973 101 123 LEU HD1 H 0.33 0.02 1 974 101 123 LEU HD2 H 0.56 0.02 1 975 101 123 LEU C C 179.7 0.2 1 976 101 123 LEU CA C 58.0 0.2 1 977 101 123 LEU CB C 41.8 0.2 1 978 101 123 LEU CG C 27.2 0.2 1 979 101 123 LEU CD1 C 25.0 0.2 1 980 101 123 LEU CD2 C 23.5 0.2 1 981 101 123 LEU N N 119.8 0.2 1 982 102 124 VAL H H 7.99 0.02 1 983 102 124 VAL HA H 3.65 0.02 1 984 102 124 VAL HB H 2.17 0.02 1 985 102 124 VAL HG1 H 0.80 0.02 1 986 102 124 VAL HG2 H 1.06 0.02 1 987 102 124 VAL C C 177.9 0.2 1 988 102 124 VAL CA C 66.7 0.2 1 989 102 124 VAL CB C 31.5 0.2 1 990 102 124 VAL CG1 C 21.8 0.2 1 991 102 124 VAL CG2 C 23.8 0.2 1 992 102 124 VAL N N 119.4 0.2 1 993 103 125 GLU H H 8.09 0.02 1 994 103 125 GLU HA H 4.06 0.02 1 995 103 125 GLU HB2 H 2.15 0.02 2 996 103 125 GLU HB3 H 2.15 0.02 2 997 103 125 GLU HG2 H 2.36 0.02 2 998 103 125 GLU HG3 H 2.36 0.02 2 999 103 125 GLU C C 180.1 0.2 1 1000 103 125 GLU CA C 59.4 0.2 1 1001 103 125 GLU CB C 29.6 0.2 1 1002 103 125 GLU CG C 36.1 0.2 1 1003 103 125 GLU N N 121.4 0.2 1 1004 104 126 LEU H H 8.43 0.02 1 1005 104 126 LEU HA H 4.12 0.02 1 1006 104 126 LEU HB2 H 1.56 0.02 1 1007 104 126 LEU HB3 H 1.77 0.02 1 1008 104 126 LEU HG H 1.71 0.02 1 1009 104 126 LEU HD1 H 0.84 0.02 2 1010 104 126 LEU HD2 H 0.84 0.02 2 1011 104 126 LEU C C 177.9 0.2 1 1012 104 126 LEU CA C 57.2 0.2 1 1013 104 126 LEU CB C 42.3 0.2 1 1014 104 126 LEU CG C 26.8 0.2 1 1015 104 126 LEU CD1 C 23.5 0.2 2 1016 104 126 LEU CD2 C 24.8 0.2 2 1017 104 126 LEU N N 119.8 0.2 1 1018 105 127 ASN H H 7.52 0.02 1 1019 105 127 ASN HA H 4.68 0.02 1 1020 105 127 ASN HB2 H 2.54 0.02 2 1021 105 127 ASN HB3 H 2.72 0.02 2 1022 105 127 ASN HD21 H 7.66 0.02 1 1023 105 127 ASN HD22 H 7.25 0.02 1 1024 105 127 ASN C C 174.0 0.2 1 1025 105 127 ASN CA C 53.9 0.2 1 1026 105 127 ASN CB C 39.7 0.2 1 1027 105 127 ASN N N 114.9 0.2 1 1028 105 127 ASN ND2 N 113.7 0.2 1 1029 106 128 LEU H H 8.14 0.02 1 1030 106 128 LEU HA H 4.22 0.02 1 1031 106 128 LEU HB2 H 1.61 0.02 2 1032 106 128 LEU HB3 H 1.96 0.02 2 1033 106 128 LEU HG H 1.50 0.02 1 1034 106 128 LEU HD1 H 0.89 0.02 1 1035 106 128 LEU HD2 H 0.82 0.02 1 1036 106 128 LEU C C 177.4 0.2 1 1037 106 128 LEU CA C 55.7 0.2 1 1038 106 128 LEU CB C 40.0 0.2 1 1039 106 128 LEU CG C 31.3 0.2 1 1040 106 128 LEU CD1 C 25.6 0.2 1 1041 106 128 LEU CD2 C 23.3 0.2 1 1042 106 128 LEU N N 117.4 0.2 1 1043 107 129 GLY H H 8.33 0.02 1 1044 107 129 GLY HA2 H 3.65 0.02 2 1045 107 129 GLY HA3 H 4.17 0.02 2 1046 107 129 GLY C C 172.9 0.2 1 1047 107 129 GLY CA C 44.9 0.2 1 1048 107 129 GLY N N 106.1 0.2 1 1049 108 130 ASP H H 7.64 0.02 1 1050 108 130 ASP HA H 4.70 0.02 1 1051 108 130 ASP HB2 H 2.62 0.02 2 1052 108 130 ASP HB3 H 2.81 0.02 2 1053 108 130 ASP C C 176.5 0.2 1 1054 108 130 ASP CA C 53.2 0.2 1 1055 108 130 ASP CB C 41.9 0.2 1 1056 108 130 ASP N N 119.0 0.2 1 1057 109 131 GLU H H 8.99 0.02 1 1058 109 131 GLU HA H 3.96 0.02 1 1059 109 131 GLU HB2 H 2.10 0.02 2 1060 109 131 GLU HB3 H 2.10 0.02 2 1061 109 131 GLU HG2 H 2.28 0.02 2 1062 109 131 GLU HG3 H 2.28 0.02 2 1063 109 131 GLU C C 178.6 0.2 1 1064 109 131 GLU CA C 58.9 0.2 1 1065 109 131 GLU CB C 29.4 0.2 1 1066 109 131 GLU CG C 36.2 0.2 1 1067 109 131 GLU N N 123.9 0.2 1 1068 110 132 GLU H H 8.91 0.02 1 1069 110 132 GLU HA H 4.06 0.02 1 1070 110 132 GLU HB2 H 2.04 0.02 2 1071 110 132 GLU HB3 H 2.04 0.02 2 1072 110 132 GLU HG2 H 2.30 0.02 2 1073 110 132 GLU HG3 H 2.30 0.02 2 1074 110 132 GLU C C 179.6 0.2 1 1075 110 132 GLU CA C 59.1 0.2 1 1076 110 132 GLU CB C 28.8 0.2 1 1077 110 132 GLU CG C 36.6 0.2 1 1078 110 132 GLU N N 121.1 0.2 1 1079 111 133 LEU H H 8.21 0.02 1 1080 111 133 LEU HA H 4.03 0.02 1 1081 111 133 LEU HB2 H 1.85 0.02 2 1082 111 133 LEU HB3 H 1.85 0.02 2 1083 111 133 LEU HG H 1.80 0.02 1 1084 111 133 LEU HD1 H 0.86 0.02 1 1085 111 133 LEU HD2 H 0.75 0.02 1 1086 111 133 LEU C C 181.5 0.2 1 1087 111 133 LEU CA C 57.1 0.2 1 1088 111 133 LEU CB C 42.5 0.2 1 1089 111 133 LEU CG C 27.3 0.2 1 1090 111 133 LEU CD1 C 26.1 0.2 1 1091 111 133 LEU CD2 C 22.4 0.2 1 1092 111 133 LEU N N 119.3 0.2 1 1093 112 134 LEU H H 8.07 0.02 1 1094 112 134 LEU HA H 4.00 0.02 1 1095 112 134 LEU HB2 H 2.14 0.02 2 1096 112 134 LEU HB3 H 2.14 0.02 2 1097 112 134 LEU HG H 1.66 0.02 1 1098 112 134 LEU HD1 H 0.96 0.02 1 1099 112 134 LEU HD2 H 0.78 0.02 1 1100 112 134 LEU C C 177.0 0.2 1 1101 112 134 LEU CA C 57.3 0.2 1 1102 112 134 LEU CB C 41.4 0.2 1 1103 112 134 LEU CG C 27.6 0.2 1 1104 112 134 LEU CD1 C 25.9 0.2 1 1105 112 134 LEU CD2 C 23.4 0.2 1 1106 112 134 LEU N N 117.8 0.2 1 1107 113 135 GLU H H 7.40 0.02 1 1108 113 135 GLU HA H 4.60 0.02 1 1109 113 135 GLU HB2 H 1.83 0.02 2 1110 113 135 GLU HB3 H 2.49 0.02 2 1111 113 135 GLU HG2 H 2.19 0.02 2 1112 113 135 GLU HG3 H 2.40 0.02 2 1113 113 135 GLU C C 175.7 0.2 1 1114 113 135 GLU CA C 55.5 0.2 1 1115 113 135 GLU CB C 29.2 0.2 1 1116 113 135 GLU CG C 35.2 0.2 1 1117 113 135 GLU N N 115.2 0.2 1 1118 114 136 ARG H H 6.59 0.02 1 1119 114 136 ARG HA H 4.10 0.02 1 1120 114 136 ARG HB2 H 1.65 0.02 2 1121 114 136 ARG HB3 H 1.75 0.02 2 1122 114 136 ARG HG2 H 1.55 0.02 2 1123 114 136 ARG HG3 H 1.55 0.02 2 1124 114 136 ARG HD2 H 2.89 0.02 2 1125 114 136 ARG HD3 H 3.36 0.02 2 1126 114 136 ARG HE H 8.27 0.02 1 1127 114 136 ARG C C 176.1 0.2 1 1128 114 136 ARG CA C 56.7 0.2 1 1129 114 136 ARG CB C 32.4 0.2 1 1130 114 136 ARG CG C 27.3 0.2 1 1131 114 136 ARG CD C 43.1 0.2 1 1132 114 136 ARG N N 117.3 0.2 1 1133 114 136 ARG NE N 84.1 0.2 1 1134 115 137 GLU H H 8.59 0.02 1 1135 115 137 GLU HA H 4.13 0.02 1 1136 115 137 GLU HB2 H 2.01 0.02 2 1137 115 137 GLU HB3 H 2.15 0.02 2 1138 115 137 GLU HG2 H 2.15 0.02 2 1139 115 137 GLU HG3 H 2.15 0.02 2 1140 115 137 GLU C C 175.9 0.2 1 1141 115 137 GLU CA C 55.6 0.2 1 1142 115 137 GLU CB C 29.9 0.2 1 1143 115 137 GLU CG C 36.1 0.2 1 1144 115 137 GLU N N 121.5 0.2 1 1145 116 138 LEU H H 8.89 0.02 1 1146 116 138 LEU HA H 3.86 0.02 1 1147 116 138 LEU HB2 H 1.42 0.02 2 1148 116 138 LEU HB3 H 1.87 0.02 2 1149 116 138 LEU HG H 1.61 0.02 1 1150 116 138 LEU HD1 H 0.75 0.02 1 1151 116 138 LEU HD2 H 0.44 0.02 1 1152 116 138 LEU C C 178.3 0.2 1 1153 116 138 LEU CA C 58.2 0.2 1 1154 116 138 LEU CB C 41.2 0.2 1 1155 116 138 LEU CG C 27.6 0.2 1 1156 116 138 LEU CD1 C 22.3 0.2 1 1157 116 138 LEU CD2 C 26.8 0.2 1 1158 116 138 LEU N N 121.5 0.2 1 1159 117 139 ALA H H 8.55 0.02 1 1160 117 139 ALA HA H 4.15 0.02 1 1161 117 139 ALA HB H 1.37 0.02 1 1162 117 139 ALA C C 177.6 0.2 1 1163 117 139 ALA CA C 54.1 0.2 1 1164 117 139 ALA CB C 18.8 0.2 1 1165 117 139 ALA N N 117.6 0.2 1 1166 118 140 LEU H H 7.91 0.02 1 1167 118 140 LEU HA H 4.43 0.02 1 1168 118 140 LEU HB2 H 1.70 0.02 2 1169 118 140 LEU HB3 H 1.70 0.02 2 1170 118 140 LEU HG H 1.55 0.02 1 1171 118 140 LEU HD1 H 0.93 0.02 1 1172 118 140 LEU HD2 H 0.80 0.02 1 1173 118 140 LEU C C 176.7 0.2 1 1174 118 140 LEU CA C 53.9 0.2 1 1175 118 140 LEU CB C 42.6 0.2 1 1176 118 140 LEU CG C 27.7 0.2 1 1177 118 140 LEU CD1 C 25.6 0.2 1 1178 118 140 LEU CD2 C 22.8 0.2 1 1179 118 140 LEU N N 116.4 0.2 1 1180 119 141 LEU H H 7.63 0.02 1 1181 119 141 LEU HA H 4.41 0.02 1 1182 119 141 LEU HB2 H 1.32 0.02 2 1183 119 141 LEU HB3 H 1.92 0.02 2 1184 119 141 LEU HG H 1.85 0.02 1 1185 119 141 LEU HD1 H 0.59 0.02 1 1186 119 141 LEU HD2 H 0.46 0.02 1 1187 119 141 LEU C C 177.2 0.2 1 1188 119 141 LEU CA C 55.5 0.2 1 1189 119 141 LEU CB C 40.3 0.2 1 1190 119 141 LEU CG C 27.2 0.2 1 1191 119 141 LEU CD1 C 25.0 0.2 1 1192 119 141 LEU CD2 C 21.7 0.2 1 1193 119 141 LEU N N 120.3 0.2 1 1194 120 142 VAL H H 10.11 0.02 1 1195 120 142 VAL HA H 4.18 0.02 1 1196 120 142 VAL HB H 1.88 0.02 1 1197 120 142 VAL HG1 H 0.89 0.02 1 1198 120 142 VAL HG2 H 0.85 0.02 1 1199 120 142 VAL C C 173.8 0.2 1 1200 120 142 VAL CA C 61.6 0.2 1 1201 120 142 VAL CB C 35.2 0.2 1 1202 120 142 VAL CG1 C 21.5 0.2 1 1203 120 142 VAL CG2 C 21.2 0.2 1 1204 120 142 VAL N N 124.3 0.2 1 1205 121 143 SER H H 8.05 0.02 1 1206 121 143 SER HA H 4.42 0.02 1 1207 121 143 SER HB2 H 3.62 0.02 2 1208 121 143 SER HB3 H 3.78 0.02 2 1209 121 143 SER C C 175.8 0.2 1 1210 121 143 SER CA C 56.9 0.2 1 1211 121 143 SER CB C 65.0 0.2 1 1212 121 143 SER N N 116.1 0.2 1 1213 122 144 ALA H H 10.94 0.02 1 1214 122 144 ALA HA H 4.05 0.02 1 1215 122 144 ALA HB H 1.11 0.02 1 1216 122 144 ALA C C 178.2 0.2 1 1217 122 144 ALA CA C 53.3 0.2 1 1218 122 144 ALA CB C 18.5 0.2 1 1219 122 144 ALA N N 128.4 0.2 1 1220 123 145 HIS H H 7.95 0.02 1 1221 123 145 HIS HA H 4.55 0.02 1 1222 123 145 HIS HB2 H 2.93 0.02 1 1223 123 145 HIS HB3 H 3.08 0.02 1 1224 123 145 HIS HD2 H 6.89 0.02 1 1225 123 145 HIS CA C 56.0 0.2 1 1226 123 145 HIS CB C 31.0 0.2 1 1227 123 145 HIS CD2 C 119.7 0.2 1 1228 123 145 HIS N N 116.5 0.2 1 1229 124 146 ASP HA H 4.54 0.02 1 1230 124 146 ASP HB2 H 2.57 0.02 2 1231 124 146 ASP HB3 H 2.72 0.02 2 1232 124 146 ASP CA C 54.3 0.2 1 1233 124 146 ASP CB C 41.3 0.2 1 stop_ save_