data_6343 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain 1H, 13C, and 15N chemical shift assignments of PA1324 (21-170): Northeast Structural Genomics Consortium Target PaP1 ; _BMRB_accession_number 6343 _BMRB_flat_file_name bmr6343.str _Entry_type original _Submission_date 2004-10-07 _Accession_date 2004-10-08 _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 Cort John R. . 2 Kennedy Michael A. . 3 Ni Shuisong . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 784 "13C chemical shifts" 614 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-11-29 original author . stop_ _Original_release_date 2004-11-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Chemical shift assignments of PA1324 (21-170)' _Citation_status published _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 Cort John R. . 2 Kennedy Michael A. . 3 Ni Shuisong . . 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 . loop_ _Keyword 'structural genomics' stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system_PA1324_(21-170) _Saveframe_category molecular_system _Mol_system_name 'PA1324 (21-170)' _Abbreviation_common 'PA1324 (21-170)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PA1324 (21-170)' $PA1324_(21-170) stop_ _System_molecular_weight 18511.4 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function unknown stop_ _Database_query_date . _Details 'P. aeruginosa protein PA1324 minus the first 20 residues' save_ ######################## # Monomeric polymers # ######################## save_PA1324_(21-170) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PA1324 (21-170)' _Name_variant PA1324 _Abbreviation_common PA1324 _Molecular_mass 18511.4 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; GSSHHHHHHSSGLVPRGSHM ASNPNDLPDFPEHEYAATQQ VGGGVINGDLYLTSASGAIQ KGTNTKVALEPATSYMKAYY AKFGNLDAAKRDPDVQPPVL DPRRATYVREATTDQNGRFD FDHIPNGTYYISSELTWSAQ SDGKTITEGGTVTKLVTVSG SQPQKVLLTR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 SER 11 SER 12 GLY 13 LEU 14 VAL 15 PRO 16 ARG 17 GLY 18 SER 19 HIS 20 MET 21 ALA 22 SER 23 ASN 24 PRO 25 ASN 26 ASP 27 LEU 28 PRO 29 ASP 30 PHE 31 PRO 32 GLU 33 HIS 34 GLU 35 TYR 36 ALA 37 ALA 38 THR 39 GLN 40 GLN 41 VAL 42 GLY 43 GLY 44 GLY 45 VAL 46 ILE 47 ASN 48 GLY 49 ASP 50 LEU 51 TYR 52 LEU 53 THR 54 SER 55 ALA 56 SER 57 GLY 58 ALA 59 ILE 60 GLN 61 LYS 62 GLY 63 THR 64 ASN 65 THR 66 LYS 67 VAL 68 ALA 69 LEU 70 GLU 71 PRO 72 ALA 73 THR 74 SER 75 TYR 76 MET 77 LYS 78 ALA 79 TYR 80 TYR 81 ALA 82 LYS 83 PHE 84 GLY 85 ASN 86 LEU 87 ASP 88 ALA 89 ALA 90 LYS 91 ARG 92 ASP 93 PRO 94 ASP 95 VAL 96 GLN 97 PRO 98 PRO 99 VAL 100 LEU 101 ASP 102 PRO 103 ARG 104 ARG 105 ALA 106 THR 107 TYR 108 VAL 109 ARG 110 GLU 111 ALA 112 THR 113 THR 114 ASP 115 GLN 116 ASN 117 GLY 118 ARG 119 PHE 120 ASP 121 PHE 122 ASP 123 HIS 124 ILE 125 PRO 126 ASN 127 GLY 128 THR 129 TYR 130 TYR 131 ILE 132 SER 133 SER 134 GLU 135 LEU 136 THR 137 TRP 138 SER 139 ALA 140 GLN 141 SER 142 ASP 143 GLY 144 LYS 145 THR 146 ILE 147 THR 148 GLU 149 GLY 150 GLY 151 THR 152 VAL 153 THR 154 LYS 155 LEU 156 VAL 157 THR 158 VAL 159 SER 160 GLY 161 SER 162 GLN 163 PRO 164 GLN 165 LYS 166 VAL 167 LEU 168 LEU 169 THR 170 ARG 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 1XPN "Nmr Structure Of P. Aeruginosa Protein Pa1324: Northeast Structural Genomics Consortium Target Pap1" 100.00 170 100.00 100.00 3.10e-121 PDB 3QEC "Crystal Structure Of A Putative Carbohydrate Binding Protein (Pa1324) From Pseudomonas Aeruginosa At 2.61 A Resolution" 87.65 150 98.66 98.66 4.50e-102 DBJ BAK89069 "hypothetical protein NCGM2_2211 [Pseudomonas aeruginosa NCGM2.S1]" 88.82 170 98.01 98.01 6.43e-104 DBJ BAP24320 "hypothetical protein NCGM1900_5248 [Pseudomonas aeruginosa]" 88.82 170 98.01 98.01 6.43e-104 DBJ BAP51904 "hypothetical protein NCGM1984_3942 [Pseudomonas aeruginosa]" 88.82 170 98.01 98.01 6.43e-104 DBJ GAA16866 "hypothetical protein NCGM1179_1690 [Pseudomonas aeruginosa NCMG1179]" 88.82 170 98.01 98.01 6.79e-104 DBJ GAJ52275 "hypothetical protein RBRAMI_1145 [Pseudomonas aeruginosa RB]" 88.82 170 98.01 98.01 6.79e-104 EMBL CAW28584 "hypothetical protein PLES_38571 [Pseudomonas aeruginosa LESB58]" 88.82 170 98.01 98.01 6.79e-104 EMBL CCQ89061 "hypothetical protein PA18A_5697 [Pseudomonas aeruginosa 18A]" 88.82 170 98.01 98.01 6.79e-104 EMBL CDH72000 "hypothetical protein P38_3776 [Pseudomonas aeruginosa MH38]" 88.24 174 98.67 98.67 6.32e-104 EMBL CDH78337 "hypothetical protein PAMH27_3951 [Pseudomonas aeruginosa MH27]" 88.82 170 98.01 98.01 6.43e-104 EMBL CDI89494 "hypothetical protein BN889_01429 [Pseudomonas aeruginosa PA38182]" 88.82 170 98.01 98.01 6.79e-104 GB AAG04713 "hypothetical protein PA1324 [Pseudomonas aeruginosa PAO1]" 88.82 170 98.68 98.68 1.17e-104 GB AAT50168 "PA1324, partial [synthetic construct]" 88.82 171 98.68 98.68 1.41e-104 GB ABJ10512 "hypothetical protein PA14_47120 [Pseudomonas aeruginosa UCBPP-PA14]" 88.82 170 98.01 98.01 6.43e-104 GB ABR82991 "lipoprotein, putative [Pseudomonas aeruginosa PA7]" 88.82 170 98.01 98.01 7.41e-104 GB AEO76059 "hypothetical protein PAM18_3578 [Pseudomonas aeruginosa M18]" 88.82 170 98.01 98.01 6.43e-104 REF NP_250015 "hypothetical protein PA1324 [Pseudomonas aeruginosa PAO1]" 88.82 170 98.68 98.68 1.17e-104 REF WP_003082734 "MULTISPECIES: hypothetical protein [Pseudomonas]" 88.82 170 98.01 98.01 6.43e-104 REF WP_003112372 "hypothetical protein [Pseudomonas aeruginosa]" 88.82 170 98.68 98.68 1.17e-104 REF WP_003120489 "hypothetical protein [Pseudomonas aeruginosa]" 88.82 170 97.35 97.35 1.61e-102 REF WP_003123080 "MULTISPECIES: hypothetical protein [Pseudomonas]" 88.82 170 98.01 98.01 6.79e-104 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PA1324_(21-170) 'Pseudomonas aeruginosa' 287 Bacteria . 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 $PA1324_(21-170) 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PA1324_(21-170) 1 mM '[U-100% C13; U-100% N15]' NaCl 300 mM . BisTrisPropane 20 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PA1324_(21-170) 1 mM '[U-10% C13; U-100% N15]' NaCl 300 mM . BisTrisPropane 20 mM . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 98 loop_ _Vendor _Address _Electronic_address Biosym/MSI/Accelrys . . stop_ loop_ _Task assignment 'data processing' display stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address 'T.D. Goddard & D.G. Kneller, UCSF' . . stop_ loop_ _Task assignment 'spectral display' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_unknown_1 _Saveframe_category NMR_applied_experiment _Experiment_name unknown _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'not applicable' ppm 0 external indirect . . . . DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'not applicable' ppm 0 external indirect . . . . 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_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label unknown stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'PA1324 (21-170)' _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 . 19 HIS C C 175.0 0.2 1 2 . 19 HIS CA C 56.4 0.2 1 3 . 19 HIS CB C 30.4 0.2 1 4 . 20 MET H H 8.35 0.02 1 5 . 20 MET C C 175.7 0.2 1 6 . 20 MET CA C 55.5 0.2 1 7 . 20 MET CB C 33.1 0.2 1 8 . 20 MET N N 122.2 0.2 1 9 . 21 ALA H H 8.39 0.02 1 10 . 21 ALA HA H 4.36 0.02 1 11 . 21 ALA HB H 1.44 0.02 1 12 . 21 ALA C C 177.6 0.2 1 13 . 21 ALA CA C 52.6 0.2 1 14 . 21 ALA CB C 19.4 0.2 1 15 . 21 ALA N N 125.7 0.2 1 16 . 22 SER H H 8.25 0.02 1 17 . 22 SER HA H 4.45 0.02 1 18 . 22 SER HB2 H 3.85 0.02 2 19 . 22 SER HB3 H 3.87 0.02 2 20 . 22 SER C C 173.8 0.2 1 21 . 22 SER CA C 58.2 0.2 1 22 . 22 SER CB C 63.9 0.2 1 23 . 22 SER N N 115.0 0.2 1 24 . 23 ASN H H 8.52 0.02 1 25 . 23 ASN HA H 5.05 0.02 1 26 . 23 ASN HB2 H 2.74 0.02 2 27 . 23 ASN HB3 H 2.91 0.02 2 28 . 23 ASN HD21 H 7.03 0.02 2 29 . 23 ASN HD22 H 7.70 0.02 2 30 . 23 ASN C C 174.1 0.2 1 31 . 23 ASN CA C 51.3 0.2 1 32 . 23 ASN CB C 39.2 0.2 1 33 . 23 ASN N N 121.7 0.2 1 34 . 23 ASN ND2 N 113.6 0.2 1 35 . 24 PRO HA H 4.31 0.02 1 36 . 24 PRO HD2 H 3.82 0.02 2 37 . 24 PRO HD3 H 3.85 0.02 2 38 . 24 PRO C C 176.8 0.2 1 39 . 24 PRO CA C 64.0 0.2 1 40 . 24 PRO CB C 32.2 0.2 1 41 . 24 PRO CG C 27.6 0.2 1 42 . 24 PRO CD C 51.0 0.2 1 43 . 25 ASN H H 8.42 0.02 1 44 . 25 ASN HA H 4.73 0.02 1 45 . 25 ASN HB2 H 2.80 0.02 2 46 . 25 ASN HB3 H 2.93 0.02 2 47 . 25 ASN HD21 H 6.98 0.02 2 48 . 25 ASN HD22 H 7.67 0.02 2 49 . 25 ASN C C 174.8 0.2 1 50 . 25 ASN CA C 53.4 0.2 1 51 . 25 ASN CB C 39.0 0.2 1 52 . 25 ASN N N 117.0 0.2 1 53 . 25 ASN ND2 N 113.4 0.2 1 54 . 26 ASP H H 7.98 0.02 1 55 . 26 ASP HA H 4.59 0.02 1 56 . 26 ASP HB2 H 2.66 0.02 2 57 . 26 ASP HB3 H 2.73 0.02 2 58 . 26 ASP C C 175.9 0.2 1 59 . 26 ASP CA C 54.8 0.2 1 60 . 26 ASP CB C 41.4 0.2 1 61 . 26 ASP N N 119.8 0.2 1 62 . 27 LEU H H 8.16 0.02 1 63 . 27 LEU HA H 4.63 0.02 1 64 . 27 LEU HB2 H 1.60 0.02 2 65 . 27 LEU HB3 H 1.70 0.02 2 66 . 27 LEU HG H 1.70 0.02 1 67 . 27 LEU HD1 H 0.77 0.02 1 68 . 27 LEU HD2 H 0.80 0.02 1 69 . 27 LEU C C 175.4 0.2 1 70 . 27 LEU CA C 52.9 0.2 1 71 . 27 LEU CB C 42.4 0.2 1 72 . 27 LEU CG C 27.2 0.2 1 73 . 27 LEU CD1 C 25.8 0.2 1 74 . 27 LEU CD2 C 23.7 0.2 1 75 . 27 LEU N N 121.9 0.2 1 76 . 28 PRO HA H 4.69 0.02 1 77 . 28 PRO HB2 H 2.14 0.02 2 78 . 28 PRO HB3 H 2.43 0.02 2 79 . 28 PRO HG2 H 2.05 0.02 2 80 . 28 PRO HG3 H 2.08 0.02 2 81 . 28 PRO HD2 H 3.60 0.02 2 82 . 28 PRO HD3 H 3.84 0.02 2 83 . 28 PRO C C 175.8 0.2 1 84 . 28 PRO CA C 62.3 0.2 1 85 . 28 PRO CB C 32.7 0.2 1 86 . 28 PRO CG C 27.8 0.2 1 87 . 28 PRO CD C 50.2 0.2 1 88 . 29 ASP H H 8.32 0.02 1 89 . 29 ASP HA H 4.56 0.02 1 90 . 29 ASP HB2 H 2.56 0.02 2 91 . 29 ASP HB3 H 2.70 0.02 2 92 . 29 ASP C C 176.8 0.2 1 93 . 29 ASP CA C 54.9 0.2 1 94 . 29 ASP CB C 41.0 0.2 1 95 . 29 ASP N N 118.8 0.2 1 96 . 30 PHE H H 8.80 0.02 1 97 . 30 PHE HA H 3.91 0.02 1 98 . 30 PHE HB2 H 2.69 0.02 2 99 . 30 PHE HB3 H 2.78 0.02 2 100 . 30 PHE HD1 H 7.3 0.02 3 101 . 30 PHE HE1 H 7.36 0.02 3 102 . 30 PHE HZ H 7.3 0.02 1 103 . 30 PHE CA C 56.5 0.2 1 104 . 30 PHE CB C 39.6 0.2 1 105 . 30 PHE CD1 C 132.1 0.2 3 106 . 30 PHE CE1 C 131.4 0.2 3 107 . 30 PHE CZ C 129.7 0.2 1 108 . 30 PHE N N 124.4 0.2 1 109 . 31 PRO HD2 H 2.44 0.02 2 110 . 31 PRO HD3 H 4.00 0.02 2 111 . 31 PRO CD C 50.6 0.2 1 112 . 32 GLU HA H 3.69 0.02 1 113 . 32 GLU HB2 H 2.04 0.02 2 114 . 32 GLU HB3 H 2.11 0.02 2 115 . 32 GLU HG2 H 2.37 0.02 2 116 . 32 GLU HG3 H 2.39 0.02 2 117 . 32 GLU C C 178.3 0.2 1 118 . 32 GLU CA C 60.5 0.2 1 119 . 32 GLU CB C 29.9 0.2 1 120 . 32 GLU CG C 35.0 0.2 1 121 . 33 HIS HA H 4.67 0.02 1 122 . 33 HIS HB2 H 3.17 0.02 2 123 . 33 HIS HB3 H 3.19 0.02 2 124 . 33 HIS C C 177.7 0.2 1 125 . 33 HIS CA C 58.7 0.2 1 126 . 33 HIS CB C 29.3 0.2 1 127 . 34 GLU H H 6.87 0.02 1 128 . 34 GLU HA H 3.96 0.02 1 129 . 34 GLU HB2 H 1.77 0.02 2 130 . 34 GLU HB3 H 1.87 0.02 2 131 . 34 GLU HG2 H 2.03 0.02 2 132 . 34 GLU HG3 H 2.05 0.02 2 133 . 34 GLU C C 178.6 0.2 1 134 . 34 GLU CA C 58.8 0.2 1 135 . 34 GLU CB C 30.3 0.2 1 136 . 34 GLU CG C 36.8 0.2 1 137 . 34 GLU N N 120.4 0.2 1 138 . 35 TYR H H 7.11 0.02 1 139 . 35 TYR HA H 3.59 0.02 1 140 . 35 TYR HB2 H 2.33 0.02 2 141 . 35 TYR HB3 H 2.35 0.02 2 142 . 35 TYR HD1 H 6.16 0.02 3 143 . 35 TYR HE1 H 6.46 0.02 3 144 . 35 TYR C C 177.6 0.2 1 145 . 35 TYR CA C 62.3 0.2 1 146 . 35 TYR CB C 37.7 0.2 1 147 . 35 TYR CD1 C 133.2 0.2 3 148 . 35 TYR CE1 C 117.0 0.2 3 149 . 35 TYR N N 117.4 0.2 1 150 . 36 ALA H H 8.18 0.02 1 151 . 36 ALA HA H 4.32 0.02 1 152 . 36 ALA HB H 1.55 0.02 1 153 . 36 ALA C C 178.2 0.2 1 154 . 36 ALA CA C 54.4 0.2 1 155 . 36 ALA CB C 18.5 0.2 1 156 . 36 ALA N N 121.8 0.2 1 157 . 37 ALA H H 7.26 0.02 1 158 . 37 ALA HA H 4.41 0.02 1 159 . 37 ALA HB H 1.43 0.02 1 160 . 37 ALA C C 178.2 0.2 1 161 . 37 ALA CA C 52.7 0.2 1 162 . 37 ALA CB C 18.8 0.2 1 163 . 37 ALA N N 118.6 0.2 1 164 . 38 THR H H 7.50 0.02 1 165 . 38 THR HA H 4.28 0.02 1 166 . 38 THR HB H 4.45 0.02 1 167 . 38 THR HG2 H 1.30 0.02 1 168 . 38 THR C C 175.0 0.2 1 169 . 38 THR CA C 62.4 0.2 1 170 . 38 THR CB C 70.2 0.2 1 171 . 38 THR CG2 C 21.9 0.2 1 172 . 38 THR N N 110.7 0.2 1 173 . 39 GLN H H 8.63 0.02 1 174 . 39 GLN HA H 4.53 0.02 1 175 . 39 GLN HB2 H 2.19 0.02 2 176 . 39 GLN HB3 H 2.33 0.02 2 177 . 39 GLN HG2 H 2.55 0.02 2 178 . 39 GLN HG3 H 2.58 0.02 2 179 . 39 GLN HE21 H 6.99 0.02 2 180 . 39 GLN HE22 H 7.65 0.02 2 181 . 39 GLN C C 176.2 0.2 1 182 . 39 GLN CA C 56.1 0.2 1 183 . 39 GLN CB C 29.6 0.2 1 184 . 39 GLN CG C 34.6 0.2 1 185 . 39 GLN N N 122.5 0.2 1 186 . 39 GLN NE2 N 113.4 0.2 1 187 . 40 GLN H H 8.45 0.02 1 188 . 40 GLN HA H 4.53 0.02 1 189 . 40 GLN HB2 H 2.03 0.02 2 190 . 40 GLN HB3 H 2.32 0.02 2 191 . 40 GLN HG2 H 2.47 0.02 2 192 . 40 GLN HG3 H 2.49 0.02 2 193 . 40 GLN C C 175.8 0.2 1 194 . 40 GLN CA C 56.5 0.2 1 195 . 40 GLN CB C 31.0 0.2 1 196 . 40 GLN CG C 34.1 0.2 1 197 . 40 GLN N N 119.3 0.2 1 198 . 41 VAL H H 8.05 0.02 1 199 . 41 VAL HA H 4.57 0.02 1 200 . 41 VAL HB H 2.10 0.02 1 201 . 41 VAL HG1 H 1.03 0.02 2 202 . 41 VAL HG2 H 1.02 0.02 2 203 . 41 VAL C C 175.7 0.2 1 204 . 41 VAL CA C 61.4 0.2 1 205 . 41 VAL CB C 34.6 0.2 1 206 . 41 VAL CG1 C 21.0 0.2 2 207 . 41 VAL CG2 C 20.8 0.2 2 208 . 41 VAL N N 117.6 0.2 1 209 . 42 GLY H H 8.01 0.02 1 210 . 42 GLY HA2 H 3.66 0.02 2 211 . 42 GLY HA3 H 4.29 0.02 2 212 . 42 GLY C C 171.6 0.2 1 213 . 42 GLY CA C 45.4 0.2 1 214 . 42 GLY N N 112.2 0.2 1 215 . 43 GLY H H 8.18 0.02 1 216 . 43 GLY HA2 H 3.50 0.02 2 217 . 43 GLY HA3 H 4.42 0.02 2 218 . 43 GLY C C 174.9 0.2 1 219 . 43 GLY CA C 44.8 0.2 1 220 . 43 GLY N N 106.9 0.2 1 221 . 44 GLY H H 8.78 0.02 1 222 . 44 GLY HA2 H 3.53 0.02 2 223 . 44 GLY HA3 H 4.18 0.02 2 224 . 44 GLY C C 173.8 0.2 1 225 . 44 GLY CA C 45.6 0.2 1 226 . 44 GLY N N 112.3 0.2 1 227 . 45 VAL H H 8.11 0.02 1 228 . 45 VAL HA H 4.80 0.02 1 229 . 45 VAL HB H 1.67 0.02 1 230 . 45 VAL HG1 H 0.97 0.02 1 231 . 45 VAL HG2 H 1.02 0.02 1 232 . 45 VAL C C 175.3 0.2 1 233 . 45 VAL CA C 61.5 0.2 1 234 . 45 VAL CB C 37.0 0.2 1 235 . 45 VAL CG1 C 21.4 0.2 1 236 . 45 VAL CG2 C 21.2 0.2 1 237 . 45 VAL N N 119.6 0.2 1 238 . 46 ILE H H 8.80 0.02 1 239 . 46 ILE HA H 4.95 0.02 1 240 . 46 ILE HB H 1.67 0.02 1 241 . 46 ILE HG12 H 0.83 0.02 2 242 . 46 ILE HG13 H 1.39 0.02 2 243 . 46 ILE HG2 H 0.87 0.02 1 244 . 46 ILE HD1 H 0.52 0.02 1 245 . 46 ILE C C 174.4 0.2 1 246 . 46 ILE CA C 59.4 0.2 1 247 . 46 ILE CB C 43.1 0.2 1 248 . 46 ILE CG1 C 27.6 0.2 1 249 . 46 ILE CG2 C 17.4 0.2 1 250 . 46 ILE CD1 C 14.8 0.2 1 251 . 46 ILE N N 126.1 0.2 1 252 . 47 ASN H H 8.81 0.02 1 253 . 47 ASN HA H 5.38 0.02 1 254 . 47 ASN HB2 H 2.57 0.02 2 255 . 47 ASN HB3 H 2.81 0.02 2 256 . 47 ASN HD21 H 6.56 0.02 2 257 . 47 ASN HD22 H 7.85 0.02 2 258 . 47 ASN C C 173.5 0.2 1 259 . 47 ASN CA C 52.1 0.2 1 260 . 47 ASN CB C 42.1 0.2 1 261 . 47 ASN N N 125.0 0.2 1 262 . 47 ASN ND2 N 111.4 0.2 1 263 . 48 GLY H H 8.22 0.02 1 264 . 48 GLY HA2 H 3.03 0.02 2 265 . 48 GLY HA3 H 4.59 0.02 2 266 . 48 GLY C C 171.3 0.2 1 267 . 48 GLY CA C 45.5 0.2 1 268 . 48 GLY N N 109.1 0.2 1 269 . 49 ASP H H 7.33 0.02 1 270 . 49 ASP HA H 5.41 0.02 1 271 . 49 ASP HB2 H 2.47 0.02 2 272 . 49 ASP HB3 H 2.75 0.02 2 273 . 49 ASP C C 174.2 0.2 1 274 . 49 ASP CA C 53.3 0.2 1 275 . 49 ASP CB C 44.9 0.2 1 276 . 49 ASP N N 117.7 0.2 1 277 . 50 LEU H H 9.24 0.02 1 278 . 50 LEU HA H 5.66 0.02 1 279 . 50 LEU HB2 H 1.42 0.02 2 280 . 50 LEU HB3 H 2.36 0.02 2 281 . 50 LEU HG H 1.43 0.02 1 282 . 50 LEU HD1 H 1.00 0.02 1 283 . 50 LEU HD2 H 1.01 0.02 1 284 . 50 LEU C C 175.9 0.2 1 285 . 50 LEU CA C 53.9 0.2 1 286 . 50 LEU CB C 44.9 0.2 1 287 . 50 LEU CG C 29.0 0.2 1 288 . 50 LEU CD1 C 23.1 0.2 1 289 . 50 LEU CD2 C 27.6 0.2 1 290 . 50 LEU N N 124.8 0.2 1 291 . 51 TYR H H 8.09 0.02 1 292 . 51 TYR HA H 5.12 0.02 1 293 . 51 TYR HB2 H 2.67 0.02 2 294 . 51 TYR HB3 H 3.34 0.02 2 295 . 51 TYR HD1 H 6.64 0.02 3 296 . 51 TYR HE1 H 6.63 0.02 3 297 . 51 TYR C C 173.2 0.2 1 298 . 51 TYR CA C 56.9 0.2 1 299 . 51 TYR CB C 39.6 0.2 1 300 . 51 TYR CD1 C 133.5 0.2 3 301 . 51 TYR CE1 C 118.1 0.2 3 302 . 51 TYR N N 123.2 0.2 1 303 . 52 LEU H H 8.66 0.02 1 304 . 52 LEU HA H 4.82 0.02 1 305 . 52 LEU HB2 H 1.93 0.02 2 306 . 52 LEU HB3 H 2.07 0.02 2 307 . 52 LEU HG H 1.75 0.02 1 308 . 52 LEU HD1 H 1.23 0.02 1 309 . 52 LEU HD2 H 1.17 0.02 1 310 . 52 LEU C C 174.6 0.2 1 311 . 52 LEU CA C 54.0 0.2 1 312 . 52 LEU CB C 47.0 0.2 1 313 . 52 LEU CG C 27.9 0.2 1 314 . 52 LEU CD1 C 26.5 0.2 1 315 . 52 LEU CD2 C 24.0 0.2 1 316 . 52 LEU N N 121.3 0.2 1 317 . 53 THR H H 9.02 0.02 1 318 . 53 THR HA H 5.10 0.02 1 319 . 53 THR HB H 4.12 0.02 1 320 . 53 THR HG2 H 1.29 0.02 1 321 . 53 THR C C 175.2 0.2 1 322 . 53 THR CA C 61.9 0.2 1 323 . 53 THR CB C 70.4 0.2 1 324 . 53 THR CG2 C 21.3 0.2 1 325 . 53 THR N N 115.2 0.2 1 326 . 54 SER H H 9.15 0.02 1 327 . 54 SER HA H 4.89 0.02 1 328 . 54 SER HB2 H 4.15 0.02 2 329 . 54 SER HB3 H 4.63 0.02 2 330 . 54 SER C C 176.7 0.2 1 331 . 54 SER CA C 57.4 0.2 1 332 . 54 SER CB C 65.3 0.2 1 333 . 54 SER N N 120.6 0.2 1 334 . 55 ALA H H 10.11 0.02 1 335 . 55 ALA HA H 4.27 0.02 1 336 . 55 ALA HB H 1.58 0.02 1 337 . 55 ALA C C 179.3 0.2 1 338 . 55 ALA CA C 55.4 0.2 1 339 . 55 ALA CB C 18.2 0.2 1 340 . 55 ALA N N 129.5 0.2 1 341 . 56 SER H H 8.31 0.02 1 342 . 56 SER HA H 4.48 0.02 1 343 . 56 SER HB2 H 3.89 0.02 2 344 . 56 SER HB3 H 3.93 0.02 2 345 . 56 SER C C 175.4 0.2 1 346 . 56 SER CA C 58.7 0.2 1 347 . 56 SER CB C 64.0 0.2 1 348 . 56 SER N N 111.0 0.2 1 349 . 57 GLY H H 8.24 0.02 1 350 . 57 GLY HA2 H 3.56 0.02 2 351 . 57 GLY HA3 H 4.48 0.02 2 352 . 57 GLY C C 173.6 0.2 1 353 . 57 GLY CA C 45.0 0.2 1 354 . 57 GLY N N 111.3 0.2 1 355 . 58 ALA H H 7.58 0.02 1 356 . 58 ALA HA H 4.40 0.02 1 357 . 58 ALA HB H 1.34 0.02 1 358 . 58 ALA C C 177.0 0.2 1 359 . 58 ALA CA C 51.9 0.2 1 360 . 58 ALA CB C 19.3 0.2 1 361 . 58 ALA N N 123.4 0.2 1 362 . 59 ILE H H 8.49 0.02 1 363 . 59 ILE HA H 4.24 0.02 1 364 . 59 ILE HB H 1.68 0.02 1 365 . 59 ILE HG12 H 1.12 0.02 2 366 . 59 ILE HG13 H 1.50 0.02 2 367 . 59 ILE HG2 H 0.61 0.02 1 368 . 59 ILE HD1 H 0.64 0.02 1 369 . 59 ILE C C 175.6 0.2 1 370 . 59 ILE CA C 61.5 0.2 1 371 . 59 ILE CB C 38.6 0.2 1 372 . 59 ILE CG1 C 28.2 0.2 1 373 . 59 ILE CG2 C 17.7 0.2 1 374 . 59 ILE CD1 C 12.6 0.2 1 375 . 59 ILE N N 122.8 0.2 1 376 . 60 GLN H H 8.96 0.02 1 377 . 60 GLN HA H 4.27 0.02 1 378 . 60 GLN HB2 H 0.71 0.02 2 379 . 60 GLN HB3 H 0.91 0.02 2 380 . 60 GLN HG2 H 0.83 0.02 2 381 . 60 GLN HG3 H 0.90 0.02 2 382 . 60 GLN HE21 H 6.47 0.02 2 383 . 60 GLN HE22 H 6.52 0.02 2 384 . 60 GLN C C 174.7 0.2 1 385 . 60 GLN CA C 53.3 0.2 1 386 . 60 GLN CB C 28.6 0.2 1 387 . 60 GLN CG C 31.4 0.2 1 388 . 60 GLN N N 129.7 0.2 1 389 . 60 GLN NE2 N 110.4 0.2 1 390 . 61 LYS H H 8.55 0.02 1 391 . 61 LYS HA H 4.47 0.02 1 392 . 61 LYS HB2 H 1.45 0.02 2 393 . 61 LYS HB3 H 1.73 0.02 2 394 . 61 LYS HG2 H 1.32 0.02 2 395 . 61 LYS HG3 H 1.45 0.02 2 396 . 61 LYS HD2 H 1.55 0.02 2 397 . 61 LYS HD3 H 1.57 0.02 2 398 . 61 LYS HE2 H 2.84 0.02 2 399 . 61 LYS HE3 H 2.86 0.02 2 400 . 61 LYS C C 177.6 0.2 1 401 . 61 LYS CA C 56.2 0.2 1 402 . 61 LYS CB C 33.3 0.2 1 403 . 61 LYS CG C 25.4 0.2 1 404 . 61 LYS CD C 29.2 0.2 1 405 . 61 LYS CE C 41.6 0.2 1 406 . 61 LYS N N 124.1 0.2 1 407 . 62 GLY H H 8.54 0.02 1 408 . 62 GLY HA2 H 3.19 0.02 2 409 . 62 GLY HA3 H 4.50 0.02 2 410 . 62 GLY C C 173.7 0.2 1 411 . 62 GLY CA C 47.6 0.2 1 412 . 62 GLY N N 108.8 0.2 1 413 . 63 THR H H 8.18 0.02 1 414 . 63 THR HA H 4.39 0.02 1 415 . 63 THR HB H 4.13 0.02 1 416 . 63 THR HG2 H 1.09 0.02 1 417 . 63 THR C C 174.6 0.2 1 418 . 63 THR CA C 60.9 0.2 1 419 . 63 THR CB C 70.1 0.2 1 420 . 63 THR CG2 C 22.1 0.2 1 421 . 63 THR N N 119.8 0.2 1 422 . 64 ASN H H 7.55 0.02 1 423 . 64 ASN HA H 4.64 0.02 1 424 . 64 ASN HB2 H 2.66 0.02 2 425 . 64 ASN HB3 H 3.01 0.02 2 426 . 64 ASN HD21 H 6.80 0.02 2 427 . 64 ASN HD22 H 7.53 0.02 2 428 . 64 ASN C C 174.5 0.2 1 429 . 64 ASN CA C 54.5 0.2 1 430 . 64 ASN CB C 38.1 0.2 1 431 . 64 ASN N N 125.9 0.2 1 432 . 64 ASN ND2 N 111.4 0.2 1 433 . 65 THR H H 8.80 0.02 1 434 . 65 THR HA H 4.56 0.02 1 435 . 65 THR HB H 3.52 0.02 1 436 . 65 THR HG2 H 1.31 0.02 1 437 . 65 THR C C 173.3 0.2 1 438 . 65 THR CA C 62.5 0.2 1 439 . 65 THR CB C 71.6 0.2 1 440 . 65 THR CG2 C 21.9 0.2 1 441 . 65 THR N N 115.2 0.2 1 442 . 66 LYS H H 8.78 0.02 1 443 . 66 LYS HA H 4.85 0.02 1 444 . 66 LYS HB2 H 1.72 0.02 2 445 . 66 LYS HB3 H 1.93 0.02 2 446 . 66 LYS HG2 H 1.43 0.02 2 447 . 66 LYS HG3 H 1.51 0.02 2 448 . 66 LYS HD2 H 1.68 0.02 2 449 . 66 LYS HD3 H 1.70 0.02 2 450 . 66 LYS C C 176.4 0.2 1 451 . 66 LYS CA C 57.3 0.2 1 452 . 66 LYS CB C 33.2 0.2 1 453 . 66 LYS CG C 24.8 0.2 1 454 . 66 LYS CD C 28.9 0.2 1 455 . 66 LYS N N 126.8 0.2 1 456 . 67 VAL H H 9.42 0.02 1 457 . 67 VAL HA H 4.38 0.02 1 458 . 67 VAL HB H 1.38 0.02 1 459 . 67 VAL HG1 H 0.28 0.02 1 460 . 67 VAL HG2 H 0.39 0.02 1 461 . 67 VAL C C 173.3 0.2 1 462 . 67 VAL CA C 61.3 0.2 1 463 . 67 VAL CB C 34.8 0.2 1 464 . 67 VAL CG1 C 21.7 0.2 1 465 . 67 VAL CG2 C 20.9 0.2 1 466 . 67 VAL N N 128.0 0.2 1 467 . 68 ALA H H 9.17 0.02 1 468 . 68 ALA HA H 5.52 0.02 1 469 . 68 ALA HB H 1.39 0.02 1 470 . 68 ALA C C 175.2 0.2 1 471 . 68 ALA CA C 50.5 0.2 1 472 . 68 ALA CB C 22.0 0.2 1 473 . 68 ALA N N 128.9 0.2 1 474 . 69 LEU H H 8.98 0.02 1 475 . 69 LEU HA H 5.34 0.02 1 476 . 69 LEU HB2 H 0.14 0.02 2 477 . 69 LEU HB3 H 0.94 0.02 2 478 . 69 LEU HG H 0.89 0.02 1 479 . 69 LEU HD1 H 0.08 0.02 1 480 . 69 LEU HD2 H -0.14 0.02 1 481 . 69 LEU C C 176.0 0.2 1 482 . 69 LEU CA C 53.6 0.2 1 483 . 69 LEU CB C 45.5 0.2 1 484 . 69 LEU CG C 26.8 0.2 1 485 . 69 LEU CD1 C 25.4 0.2 1 486 . 69 LEU CD2 C 26.4 0.2 1 487 . 69 LEU N N 122.2 0.2 1 488 . 70 GLU H H 9.42 0.02 1 489 . 70 GLU HA H 5.76 0.02 1 490 . 70 GLU HB2 H 2.23 0.02 2 491 . 70 GLU HB3 H 2.65 0.02 2 492 . 70 GLU HG2 H 2.39 0.02 2 493 . 70 GLU HG3 H 2.52 0.02 2 494 . 70 GLU C C 171.6 0.2 1 495 . 70 GLU CA C 53.4 0.2 1 496 . 70 GLU CB C 33.8 0.2 1 497 . 70 GLU CG C 35.9 0.2 1 498 . 70 GLU N N 124.4 0.2 1 499 . 71 PRO HA H 4.10 0.02 1 500 . 71 PRO HB2 H 1.56 0.02 2 501 . 71 PRO HB3 H 2.24 0.02 2 502 . 71 PRO HG2 H 2.10 0.02 2 503 . 71 PRO HG3 H 2.15 0.02 2 504 . 71 PRO HD2 H 4.09 0.02 2 505 . 71 PRO HD3 H 4.42 0.02 2 506 . 71 PRO C C 175.9 0.2 1 507 . 71 PRO CA C 63.8 0.2 1 508 . 71 PRO CB C 32.3 0.2 1 509 . 71 PRO CG C 28.5 0.2 1 510 . 71 PRO CD C 51.3 0.2 1 511 . 72 ALA H H 8.33 0.02 1 512 . 72 ALA HA H 4.57 0.02 1 513 . 72 ALA HB H 0.56 0.02 1 514 . 72 ALA C C 175.8 0.2 1 515 . 72 ALA CA C 51.8 0.2 1 516 . 72 ALA CB C 17.2 0.2 1 517 . 72 ALA N N 127.6 0.2 1 518 . 73 THR H H 7.14 0.02 1 519 . 73 THR HA H 4.58 0.02 1 520 . 73 THR HB H 4.26 0.02 1 521 . 73 THR HG2 H 0.31 0.02 1 522 . 73 THR C C 175.7 0.2 1 523 . 73 THR CA C 59.5 0.2 1 524 . 73 THR CB C 73.2 0.2 1 525 . 73 THR CG2 C 20.4 0.2 1 526 . 73 THR N N 113.1 0.2 1 527 . 74 SER H H 10.33 0.02 1 528 . 74 SER C C 176.4 0.2 1 529 . 74 SER CA C 61.7 0.2 1 530 . 74 SER CB C 61.8 0.2 1 531 . 74 SER N N 119.4 0.2 1 532 . 75 TYR H H 6.96 0.02 1 533 . 75 TYR HA H 4.20 0.02 1 534 . 75 TYR HB2 H 2.94 0.02 2 535 . 75 TYR HB3 H 2.97 0.02 2 536 . 75 TYR HD1 H 7.13 0.02 3 537 . 75 TYR HE1 H 6.97 0.02 3 538 . 75 TYR C C 174.6 0.2 1 539 . 75 TYR CA C 60.7 0.2 1 540 . 75 TYR CB C 41.3 0.2 1 541 . 75 TYR CD1 C 133.8 0.2 3 542 . 75 TYR CE1 C 118.1 0.2 3 543 . 75 TYR N N 122.4 0.2 1 544 . 76 MET H H 6.76 0.02 1 545 . 76 MET HA H 4.84 0.02 1 546 . 76 MET HB2 H 2.03 0.02 2 547 . 76 MET HB3 H 2.20 0.02 2 548 . 76 MET HG2 H 2.51 0.02 2 549 . 76 MET HG3 H 3.33 0.02 2 550 . 76 MET HE H 1.18 0.02 1 551 . 76 MET C C 178.2 0.2 1 552 . 76 MET CA C 53.5 0.2 1 553 . 76 MET CB C 30.2 0.2 1 554 . 76 MET CG C 31.8 0.2 1 555 . 76 MET CE C 15.3 0.2 1 556 . 76 MET N N 111.0 0.2 1 557 . 77 LYS H H 8.45 0.02 1 558 . 77 LYS HA H 4.31 0.02 1 559 . 77 LYS HB2 H 1.91 0.02 2 560 . 77 LYS HB3 H 2.11 0.02 2 561 . 77 LYS C C 179.3 0.2 1 562 . 77 LYS CA C 60.2 0.2 1 563 . 77 LYS CB C 33.1 0.2 1 564 . 77 LYS CG C 24.7 0.2 1 565 . 77 LYS CD C 29.8 0.2 1 566 . 77 LYS N N 123.3 0.2 1 567 . 78 ALA H H 7.58 0.02 1 568 . 78 ALA HA H 4.22 0.02 1 569 . 78 ALA HB H 1.52 0.02 1 570 . 78 ALA C C 179.8 0.2 1 571 . 78 ALA CA C 54.6 0.2 1 572 . 78 ALA CB C 18.3 0.2 1 573 . 78 ALA N N 120.0 0.2 1 574 . 79 TYR H H 7.49 0.02 1 575 . 79 TYR HA H 4.00 0.02 1 576 . 79 TYR HB2 H 2.62 0.02 2 577 . 79 TYR HB3 H 2.75 0.02 2 578 . 79 TYR HD1 H 6.24 0.02 3 579 . 79 TYR HE1 H 6.40 0.02 3 580 . 79 TYR C C 178.0 0.2 1 581 . 79 TYR CA C 62.2 0.2 1 582 . 79 TYR CB C 38.6 0.2 1 583 . 79 TYR CD1 C 133.0 0.2 3 584 . 79 TYR CE1 C 117.7 0.2 3 585 . 79 TYR N N 118.8 0.2 1 586 . 80 TYR H H 9.14 0.02 1 587 . 80 TYR HA H 4.21 0.02 1 588 . 80 TYR HB2 H 2.42 0.02 2 589 . 80 TYR HB3 H 2.78 0.02 2 590 . 80 TYR HD1 H 6.25 0.02 3 591 . 80 TYR C C 179.5 0.2 1 592 . 80 TYR CA C 60.4 0.2 1 593 . 80 TYR CB C 36.5 0.2 1 594 . 80 TYR CD1 C 132.8 0.2 3 595 . 80 TYR N N 117.8 0.2 1 596 . 81 ALA H H 8.08 0.02 1 597 . 81 ALA HA H 4.10 0.02 1 598 . 81 ALA HB H 1.52 0.02 1 599 . 81 ALA C C 178.7 0.2 1 600 . 81 ALA CA C 55.6 0.2 1 601 . 81 ALA CB C 18.2 0.2 1 602 . 81 ALA N N 124.5 0.2 1 603 . 82 LYS H H 6.86 0.02 1 604 . 82 LYS HA H 4.03 0.02 1 605 . 82 LYS HB2 H 0.82 0.02 2 606 . 82 LYS HB3 H 1.20 0.02 2 607 . 82 LYS HG2 H 0.57 0.02 2 608 . 82 LYS HG3 H 0.96 0.02 2 609 . 82 LYS HD2 H 1.36 0.02 2 610 . 82 LYS HD3 H 1.38 0.02 2 611 . 82 LYS HE2 H 2.76 0.02 2 612 . 82 LYS HE3 H 2.78 0.02 2 613 . 82 LYS C C 178.3 0.2 1 614 . 82 LYS CA C 57.7 0.2 1 615 . 82 LYS CB C 33.8 0.2 1 616 . 82 LYS CG C 24.6 0.2 1 617 . 82 LYS CD C 28.9 0.2 1 618 . 82 LYS CE C 42.0 0.2 1 619 . 82 LYS N N 114.5 0.2 1 620 . 83 PHE H H 8.00 0.02 1 621 . 83 PHE HA H 4.67 0.02 1 622 . 83 PHE HB2 H 1.77 0.02 2 623 . 83 PHE HB3 H 3.19 0.02 2 624 . 83 PHE HD1 H 6.74 0.02 3 625 . 83 PHE HE1 H 7.11 0.02 3 626 . 83 PHE C C 178.2 0.2 1 627 . 83 PHE CA C 58.1 0.2 1 628 . 83 PHE CB C 40.3 0.2 1 629 . 83 PHE CD1 C 132.4 0.2 3 630 . 83 PHE CE1 C 130.6 0.2 3 631 . 83 PHE N N 112.4 0.2 1 632 . 84 GLY H H 8.74 0.02 1 633 . 84 GLY HA2 H 3.92 0.02 1 634 . 84 GLY HA3 H 4.17 0.02 1 635 . 84 GLY C C 173.0 0.2 1 636 . 84 GLY CA C 47.3 0.2 1 637 . 84 GLY N N 109.8 0.2 1 638 . 85 ASN H H 8.65 0.02 1 639 . 85 ASN HA H 5.30 0.02 1 640 . 85 ASN HB2 H 2.40 0.02 2 641 . 85 ASN HB3 H 2.54 0.02 2 642 . 85 ASN HD21 H 7.18 0.02 2 643 . 85 ASN HD22 H 8.23 0.02 2 644 . 85 ASN C C 173.1 0.2 1 645 . 85 ASN CA C 52.7 0.2 1 646 . 85 ASN CB C 40.2 0.2 1 647 . 85 ASN N N 123.9 0.2 1 648 . 85 ASN ND2 N 116.2 0.2 1 649 . 86 LEU H H 7.86 0.02 1 650 . 86 LEU HA H 4.62 0.02 1 651 . 86 LEU HB2 H 1.14 0.02 2 652 . 86 LEU HB3 H 1.60 0.02 2 653 . 86 LEU HG H 1.48 0.02 1 654 . 86 LEU HD1 H 0.92 0.02 1 655 . 86 LEU HD2 H 0.99 0.02 1 656 . 86 LEU C C 177.0 0.2 1 657 . 86 LEU CA C 53.1 0.2 1 658 . 86 LEU CB C 45.5 0.2 1 659 . 86 LEU CG C 26.4 0.2 1 660 . 86 LEU CD1 C 23.7 0.2 1 661 . 86 LEU CD2 C 26.2 0.2 1 662 . 86 LEU N N 123.0 0.2 1 663 . 87 ASP H H 9.19 0.02 1 664 . 87 ASP HA H 4.75 0.02 1 665 . 87 ASP HB2 H 2.43 0.02 2 666 . 87 ASP HB3 H 2.97 0.02 2 667 . 87 ASP C C 176.7 0.2 1 668 . 87 ASP CA C 54.8 0.2 1 669 . 87 ASP CB C 39.6 0.2 1 670 . 87 ASP N N 131.4 0.2 1 671 . 88 ALA H H 9.49 0.02 1 672 . 88 ALA HA H 3.96 0.02 1 673 . 88 ALA HB H 1.25 0.02 1 674 . 88 ALA C C 180.5 0.2 1 675 . 88 ALA CA C 55.0 0.2 1 676 . 88 ALA CB C 18.2 0.2 1 677 . 88 ALA N N 128.6 0.2 1 678 . 89 ALA H H 9.02 0.02 1 679 . 89 ALA HA H 4.23 0.02 1 680 . 89 ALA HB H 1.51 0.02 1 681 . 89 ALA C C 178.3 0.2 1 682 . 89 ALA CA C 53.7 0.2 1 683 . 89 ALA CB C 19.0 0.2 1 684 . 89 ALA N N 117.7 0.2 1 685 . 90 LYS H H 7.61 0.02 1 686 . 90 LYS HA H 4.47 0.02 1 687 . 90 LYS HB2 H 2.11 0.02 2 688 . 90 LYS HB3 H 2.14 0.02 2 689 . 90 LYS HG2 H 1.42 0.02 2 690 . 90 LYS HG3 H 1.54 0.02 2 691 . 90 LYS HD2 H 1.77 0.02 2 692 . 90 LYS HD3 H 1.79 0.02 2 693 . 90 LYS HE2 H 3.05 0.02 2 694 . 90 LYS HE3 H 3.07 0.02 2 695 . 90 LYS C C 176.3 0.2 1 696 . 90 LYS CA C 55.0 0.2 1 697 . 90 LYS CB C 33.0 0.2 1 698 . 90 LYS CG C 25.5 0.2 1 699 . 90 LYS CD C 28.8 0.2 1 700 . 90 LYS CE C 42.0 0.2 1 701 . 90 LYS N N 115.2 0.2 1 702 . 91 ARG H H 7.24 0.02 1 703 . 91 ARG HA H 4.14 0.02 1 704 . 91 ARG HB2 H 1.77 0.02 2 705 . 91 ARG HB3 H 1.85 0.02 2 706 . 91 ARG HD2 H 3.25 0.02 2 707 . 91 ARG HD3 H 3.29 0.02 2 708 . 91 ARG HE H 7.40 0.02 1 709 . 91 ARG C C 175.6 0.2 1 710 . 91 ARG CA C 56.9 0.2 1 711 . 91 ARG CB C 30.9 0.2 1 712 . 91 ARG CG C 27.4 0.2 1 713 . 91 ARG CD C 43.9 0.2 1 714 . 91 ARG CZ C 159.9 0.2 1 715 . 91 ARG N N 120.9 0.2 1 716 . 91 ARG NE N 84.8 0.2 1 717 . 92 ASP H H 8.89 0.02 1 718 . 92 ASP HA H 4.94 0.02 1 719 . 92 ASP HB2 H 2.62 0.02 2 720 . 92 ASP HB3 H 2.94 0.02 2 721 . 92 ASP C C 176.1 0.2 1 722 . 92 ASP CA C 51.5 0.2 1 723 . 92 ASP CB C 42.3 0.2 1 724 . 92 ASP N N 127.0 0.2 1 725 . 93 PRO HA H 4.37 0.02 1 726 . 93 PRO HB2 H 1.99 0.02 2 727 . 93 PRO HB3 H 2.33 0.02 2 728 . 93 PRO HD2 H 3.95 0.02 2 729 . 93 PRO HD3 H 3.98 0.02 2 730 . 93 PRO C C 177.1 0.2 1 731 . 93 PRO CA C 64.3 0.2 1 732 . 93 PRO CB C 32.3 0.2 1 733 . 93 PRO CG C 27.4 0.2 1 734 . 93 PRO CD C 51.1 0.2 1 735 . 94 ASP H H 8.57 0.02 1 736 . 94 ASP HA H 4.73 0.02 1 737 . 94 ASP HB2 H 2.65 0.02 2 738 . 94 ASP HB3 H 2.81 0.02 2 739 . 94 ASP C C 176.0 0.2 1 740 . 94 ASP CA C 55.0 0.2 1 741 . 94 ASP CB C 41.6 0.2 1 742 . 94 ASP N N 116.6 0.2 1 743 . 95 VAL H H 7.66 0.02 1 744 . 95 VAL HA H 4.18 0.02 1 745 . 95 VAL HB H 2.12 0.02 1 746 . 95 VAL HG1 H 0.96 0.02 1 747 . 95 VAL HG2 H 0.91 0.02 1 748 . 95 VAL C C 174.7 0.2 1 749 . 95 VAL CA C 62.0 0.2 1 750 . 95 VAL CB C 33.2 0.2 1 751 . 95 VAL CG1 C 21.1 0.2 1 752 . 95 VAL CG2 C 21.0 0.2 1 753 . 95 VAL N N 121.9 0.2 1 754 . 96 GLN H H 8.46 0.02 1 755 . 96 GLN HA H 4.71 0.02 1 756 . 96 GLN HB2 H 1.82 0.02 2 757 . 96 GLN HB3 H 2.01 0.02 2 758 . 96 GLN HG2 H 2.35 0.02 2 759 . 96 GLN HG3 H 2.37 0.02 2 760 . 96 GLN HE21 H 6.78 0.02 2 761 . 96 GLN HE22 H 7.50 0.02 2 762 . 96 GLN C C 173.4 0.2 1 763 . 96 GLN CA C 52.7 0.2 1 764 . 96 GLN CB C 29.1 0.2 1 765 . 96 GLN CG C 33.4 0.2 1 766 . 96 GLN N N 126.3 0.2 1 767 . 96 GLN NE2 N 112.9 0.2 1 768 . 97 PRO HA H 3.88 0.2 1 769 . 97 PRO HB2 H 1.21 0.02 2 770 . 97 PRO HB3 H 1.56 0.02 2 771 . 97 PRO HG2 H 1.32 0.02 2 772 . 97 PRO HG3 H 1.80 0.02 2 773 . 97 PRO HD2 H 3.48 0.02 2 774 . 97 PRO HD3 H 3.61 0.02 2 775 . 97 PRO CA C 61.3 0.2 1 776 . 97 PRO CB C 30.2 0.2 1 777 . 97 PRO CG C 27.2 0.2 1 778 . 97 PRO CD C 50.4 0.2 1 779 . 98 PRO HA H 4.45 0.02 1 780 . 98 PRO HB2 H 1.85 0.02 2 781 . 98 PRO HB3 H 2.31 0.02 2 782 . 98 PRO HG2 H 1.95 0.02 2 783 . 98 PRO HG3 H 2.15 0.02 2 784 . 98 PRO HD2 H 3.30 0.02 2 785 . 98 PRO HD3 H 3.73 0.02 2 786 . 98 PRO C C 175.4 0.2 1 787 . 98 PRO CA C 62.2 0.2 1 788 . 98 PRO CB C 32.3 0.2 1 789 . 98 PRO CG C 27.3 0.2 1 790 . 98 PRO CD C 50.9 0.2 1 791 . 99 VAL H H 8.14 0.02 1 792 . 99 VAL HA H 3.78 0.02 1 793 . 99 VAL HB H 1.90 0.02 1 794 . 99 VAL HG1 H 0.92 0.02 2 795 . 99 VAL HG2 H 0.95 0.02 2 796 . 99 VAL C C 176.3 0.2 1 797 . 99 VAL CA C 62.9 0.2 1 798 . 99 VAL CB C 32.1 0.2 1 799 . 99 VAL CG1 C 20.9 0.2 2 800 . 99 VAL CG2 C 21.2 0.2 2 801 . 99 VAL N N 120.7 0.2 1 802 . 100 LEU H H 8.23 0.02 1 803 . 100 LEU HA H 4.40 0.02 1 804 . 100 LEU HB2 H 1.20 0.02 2 805 . 100 LEU HB3 H 1.71 0.02 2 806 . 100 LEU HG H 1.33 0.02 1 807 . 100 LEU HD1 H 0.18 0.02 1 808 . 100 LEU HD2 H 0.29 0.02 1 809 . 100 LEU C C 176.7 0.2 1 810 . 100 LEU CA C 53.8 0.2 1 811 . 100 LEU CB C 43.6 0.2 1 812 . 100 LEU CG C 26.6 0.2 1 813 . 100 LEU CD1 C 24.7 0.2 1 814 . 100 LEU CD2 C 22.9 0.2 1 815 . 100 LEU N N 128.0 0.2 1 816 . 101 ASP H H 8.08 0.02 1 817 . 101 ASP HA H 4.50 0.02 1 818 . 101 ASP HB2 H 2.00 0.02 2 819 . 101 ASP HB3 H 2.41 0.02 2 820 . 101 ASP C C 176.3 0.2 1 821 . 101 ASP CA C 52.6 0.2 1 822 . 101 ASP CB C 43.0 0.2 1 823 . 101 ASP N N 122.2 0.2 1 824 . 102 PRO HA H 4.31 0.02 1 825 . 102 PRO HB2 H 1.90 0.02 2 826 . 102 PRO HB3 H 2.34 0.02 2 827 . 102 PRO HG2 H 1.92 0.02 2 828 . 102 PRO HG3 H 1.99 0.02 2 829 . 102 PRO HD2 H 3.57 0.02 2 830 . 102 PRO HD3 H 3.87 0.02 2 831 . 102 PRO C C 178.7 0.2 1 832 . 102 PRO CA C 64.8 0.2 1 833 . 102 PRO CB C 32.3 0.2 1 834 . 102 PRO CD C 51.4 0.2 1 835 . 103 ARG H H 9.19 0.02 1 836 . 103 ARG HA H 3.87 0.02 1 837 . 103 ARG HB2 H 0.79 0.02 2 838 . 103 ARG HB3 H 1.56 0.02 2 839 . 103 ARG HG2 H 1.74 0.02 2 840 . 103 ARG HG3 H 1.76 0.02 2 841 . 103 ARG HD2 H 2.93 0.02 2 842 . 103 ARG HD3 H 3.21 0.02 2 843 . 103 ARG C C 178.3 0.2 1 844 . 103 ARG CA C 58.5 0.2 1 845 . 103 ARG CB C 30.8 0.2 1 846 . 103 ARG CD C 43.6 0.2 1 847 . 103 ARG N N 118.8 0.2 1 848 . 104 ARG H H 7.28 0.02 1 849 . 104 ARG HA H 3.81 0.02 1 850 . 104 ARG HB2 H 1.80 0.02 2 851 . 104 ARG HB3 H 1.87 0.02 2 852 . 104 ARG HG2 H 1.49 0.02 2 853 . 104 ARG HG3 H 1.89 0.02 2 854 . 104 ARG HD2 H 2.91 0.02 2 855 . 104 ARG HD3 H 3.41 0.02 2 856 . 104 ARG HE H 9.33 0.02 1 857 . 104 ARG C C 177.2 0.2 1 858 . 104 ARG CA C 58.4 0.2 1 859 . 104 ARG CB C 29.9 0.2 1 860 . 104 ARG CG C 27.6 0.2 1 861 . 104 ARG CD C 44.8 0.2 1 862 . 104 ARG CZ C 159.4 0.2 1 863 . 104 ARG N N 117.4 0.2 1 864 . 104 ARG NE N 87.0 0.2 1 865 . 105 ALA H H 7.21 0.02 1 866 . 105 ALA HA H 3.94 0.02 1 867 . 105 ALA HB H 1.53 0.02 1 868 . 105 ALA C C 179.4 0.2 1 869 . 105 ALA CA C 55.6 0.2 1 870 . 105 ALA CB C 18.6 0.2 1 871 . 105 ALA N N 118.7 0.2 1 872 . 106 THR H H 7.32 0.02 1 873 . 106 THR HA H 4.01 0.02 1 874 . 106 THR HB H 3.85 0.02 1 875 . 106 THR HG2 H 0.86 0.02 1 876 . 106 THR C C 174.6 0.2 1 877 . 106 THR CA C 64.4 0.2 1 878 . 106 THR CB C 69.1 0.2 1 879 . 106 THR CG2 C 21.4 0.2 1 880 . 106 THR N N 110.2 0.2 1 881 . 107 TYR H H 8.04 0.02 1 882 . 107 TYR HA H 4.61 0.02 1 883 . 107 TYR HB2 H 3.11 0.02 2 884 . 107 TYR HB3 H 3.57 0.02 2 885 . 107 TYR HD1 H 7.29 0.02 3 886 . 107 TYR HE1 H 6.79 0.02 3 887 . 107 TYR C C 174.9 0.2 1 888 . 107 TYR CA C 58.7 0.2 1 889 . 107 TYR CB C 39.6 0.2 1 890 . 107 TYR CD1 C 134.1 0.2 3 891 . 107 TYR CE1 C 118.4 0.2 3 892 . 107 TYR N N 117.9 0.2 1 893 . 108 VAL H H 7.39 0.02 1 894 . 108 VAL HA H 4.39 0.02 1 895 . 108 VAL HB H 2.18 0.02 1 896 . 108 VAL HG1 H 1.00 0.02 1 897 . 108 VAL HG2 H 1.04 0.02 1 898 . 108 VAL C C 176.3 0.2 1 899 . 108 VAL CA C 62.9 0.2 1 900 . 108 VAL CB C 32.9 0.2 1 901 . 108 VAL CG1 C 21.9 0.2 1 902 . 108 VAL CG2 C 21.8 0.2 1 903 . 108 VAL N N 121.1 0.2 1 904 . 109 ARG H H 9.18 0.02 1 905 . 109 ARG HA H 4.88 0.02 1 906 . 109 ARG HB2 H 1.74 0.02 2 907 . 109 ARG HB3 H 2.22 0.02 2 908 . 109 ARG HG2 H 1.81 0.02 2 909 . 109 ARG HG3 H 1.92 0.02 2 910 . 109 ARG HD2 H 3.25 0.02 2 911 . 109 ARG HD3 H 3.14 0.02 2 912 . 109 ARG HE H 7.62 0.02 1 913 . 109 ARG C C 174.9 0.2 1 914 . 109 ARG CA C 54.8 0.2 1 915 . 109 ARG CB C 32.8 0.2 1 916 . 109 ARG CG C 28.0 0.2 1 917 . 109 ARG CD C 44.0 0.2 1 918 . 109 ARG CZ C 159.9 0.2 1 919 . 109 ARG N N 128.7 0.2 1 920 . 109 ARG NE N 85.8 0.2 1 921 . 110 GLU H H 8.84 0.02 1 922 . 110 GLU HA H 5.79 0.02 1 923 . 110 GLU HB2 H 1.96 0.02 2 924 . 110 GLU HB3 H 2.00 0.02 2 925 . 110 GLU HG2 H 2.16 0.02 2 926 . 110 GLU HG3 H 2.31 0.02 2 927 . 110 GLU C C 175.4 0.2 1 928 . 110 GLU CA C 54.8 0.2 1 929 . 110 GLU CB C 34.4 0.2 1 930 . 110 GLU CG C 37.6 0.2 1 931 . 110 GLU N N 120.0 0.2 1 932 . 111 ALA H H 9.22 0.02 1 933 . 111 ALA HA H 4.68 0.02 1 934 . 111 ALA HB H 0.77 0.02 1 935 . 111 ALA C C 175.7 0.2 1 936 . 111 ALA CA C 50.8 0.2 1 937 . 111 ALA CB C 22.7 0.2 1 938 . 111 ALA N N 126.3 0.2 1 939 . 112 THR H H 8.51 0.02 1 940 . 112 THR HA H 4.94 0.02 1 941 . 112 THR HB H 3.90 0.02 1 942 . 112 THR HG2 H 1.20 0.02 1 943 . 112 THR C C 175.8 0.2 1 944 . 112 THR CA C 61.4 0.2 1 945 . 112 THR CB C 70.3 0.2 1 946 . 112 THR CG2 C 21.3 0.2 1 947 . 112 THR N N 115.5 0.2 1 948 . 113 THR H H 9.34 0.02 1 949 . 113 THR HA H 4.89 0.02 1 950 . 113 THR HB H 4.40 0.02 1 951 . 113 THR HG1 H 6.26 0.02 1 952 . 113 THR HG2 H 1.42 0.02 1 953 . 113 THR C C 175.3 0.2 1 954 . 113 THR CA C 61.2 0.2 1 955 . 113 THR CB C 71.0 0.2 1 956 . 113 THR CG2 C 24.0 0.2 1 957 . 113 THR N N 118.7 0.2 1 958 . 114 ASP H H 8.53 0.02 1 959 . 114 ASP HA H 4.85 0.02 1 960 . 114 ASP HB2 H 2.94 0.02 2 961 . 114 ASP HB3 H 3.50 0.02 2 962 . 114 ASP C C 178.9 0.2 1 963 . 114 ASP CA C 52.4 0.2 1 964 . 114 ASP CB C 41.2 0.2 1 965 . 114 ASP N N 119.7 0.2 1 966 . 115 GLN H H 8.51 0.02 1 967 . 115 GLN HA H 4.23 0.02 1 968 . 115 GLN HB2 H 2.16 0.02 2 969 . 115 GLN HB3 H 2.25 0.02 2 970 . 115 GLN HG2 H 2.40 0.02 2 971 . 115 GLN HG3 H 2.47 0.02 2 972 . 115 GLN C C 175.2 0.2 1 973 . 115 GLN CA C 57.9 0.2 1 974 . 115 GLN CB C 28.0 0.2 1 975 . 115 GLN CG C 33.5 0.2 1 976 . 115 GLN N N 115.6 0.2 1 977 . 116 ASN H H 8.76 0.02 1 978 . 116 ASN HA H 4.98 0.02 1 979 . 116 ASN HB2 H 2.78 0.02 2 980 . 116 ASN HB3 H 3.01 0.02 2 981 . 116 ASN HD21 H 7.00 0.02 2 982 . 116 ASN HD22 H 7.86 0.02 2 983 . 116 ASN C C 175.7 0.2 1 984 . 116 ASN CA C 52.6 0.2 1 985 . 116 ASN CB C 40.6 0.2 1 986 . 116 ASN N N 117.0 0.2 1 987 . 116 ASN ND2 N 115.3 0.2 1 988 . 117 GLY H H 7.99 0.02 1 989 . 117 GLY HA2 H 4.15 0.02 2 990 . 117 GLY HA3 H 4.38 0.02 2 991 . 117 GLY C C 172.4 0.2 1 992 . 117 GLY CA C 46.0 0.2 1 993 . 117 GLY N N 108.8 0.2 1 994 . 118 ARG H H 8.40 0.02 1 995 . 118 ARG HA H 5.30 0.02 1 996 . 118 ARG HB2 H 1.55 0.02 2 997 . 118 ARG HB3 H 1.92 0.02 2 998 . 118 ARG HD2 H 3.19 0.02 2 999 . 118 ARG HD3 H 3.23 0.02 2 1000 . 118 ARG HE H 7.66 0.02 1 1001 . 118 ARG C C 176.9 0.2 1 1002 . 118 ARG CA C 55.4 0.2 1 1003 . 118 ARG CB C 30.7 0.2 1 1004 . 118 ARG CG C 27.9 0.2 1 1005 . 118 ARG CD C 43.2 0.2 1 1006 . 118 ARG CZ C 159.7 0.2 1 1007 . 118 ARG N N 120.9 0.2 1 1008 . 118 ARG NE N 86.7 0.2 1 1009 . 119 PHE H H 8.22 0.02 1 1010 . 119 PHE HA H 5.19 0.02 1 1011 . 119 PHE HB2 H 2.49 0.02 2 1012 . 119 PHE HB3 H 2.70 0.02 2 1013 . 119 PHE HE1 H 6.87 0.02 3 1014 . 119 PHE HZ H 7.01 0.02 1 1015 . 119 PHE C C 172.0 0.2 1 1016 . 119 PHE CA C 54.9 0.2 1 1017 . 119 PHE CB C 41.6 0.2 1 1018 . 119 PHE N N 118.7 0.2 1 1019 . 120 ASP H H 7.94 0.02 1 1020 . 120 ASP HA H 5.54 0.02 1 1021 . 120 ASP HB2 H 2.40 0.02 2 1022 . 120 ASP HB3 H 2.64 0.02 2 1023 . 120 ASP C C 173.7 0.2 1 1024 . 120 ASP CA C 53.7 0.2 1 1025 . 120 ASP CB C 45.6 0.2 1 1026 . 120 ASP N N 117.7 0.2 1 1027 . 121 PHE H H 9.07 0.02 1 1028 . 121 PHE HA H 4.86 0.02 1 1029 . 121 PHE HB2 H 2.65 0.02 2 1030 . 121 PHE HB3 H 2.95 0.02 2 1031 . 121 PHE HD1 H 7.15 0.02 3 1032 . 121 PHE HE1 H 6.88 0.02 3 1033 . 121 PHE C C 174.3 0.2 1 1034 . 121 PHE CA C 57.9 0.2 1 1035 . 121 PHE CB C 44.3 0.2 1 1036 . 121 PHE CD1 C 131.0 0.2 3 1037 . 121 PHE CE2 C 131.1 0.2 3 1038 . 121 PHE CZ C 130.7 0.2 1 1039 . 121 PHE N N 116.3 0.2 1 1040 . 122 ASP H H 8.66 0.02 1 1041 . 122 ASP HA H 5.48 0.02 1 1042 . 122 ASP HB2 H 2.71 0.02 2 1043 . 122 ASP HB3 H 2.78 0.02 2 1044 . 122 ASP C C 174.5 0.2 1 1045 . 122 ASP CA C 52.4 0.2 1 1046 . 122 ASP CB C 43.7 0.2 1 1047 . 122 ASP N N 119.2 0.2 1 1048 . 123 HIS H H 8.72 0.02 1 1049 . 123 HIS HA H 4.10 0.02 1 1050 . 123 HIS HB2 H 3.49 0.02 2 1051 . 123 HIS HB3 H 3.52 0.02 2 1052 . 123 HIS C C 175.7 0.2 1 1053 . 123 HIS CA C 57.4 0.2 1 1054 . 123 HIS CB C 26.3 0.2 1 1055 . 123 HIS N N 113.8 0.2 1 1056 . 124 ILE H H 8.83 0.02 1 1057 . 124 ILE HA H 4.25 0.02 1 1058 . 124 ILE HB H 1.32 0.02 1 1059 . 124 ILE HG12 H 0.74 0.02 2 1060 . 124 ILE HG13 H 0.86 0.02 2 1061 . 124 ILE HG2 H 0.49 0.02 1 1062 . 124 ILE HD1 H 0.45 0.02 1 1063 . 124 ILE CA C 57.7 0.2 1 1064 . 124 ILE CB C 38.8 0.2 1 1065 . 124 ILE CG1 C 26.4 0.2 1 1066 . 124 ILE CG2 C 17.8 0.2 1 1067 . 124 ILE CD1 C 12.5 0.2 1 1068 . 124 ILE N N 120.6 0.2 1 1069 . 125 PRO HA H 4.34 0.02 1 1070 . 125 PRO HG2 H 1.66 0.02 2 1071 . 125 PRO HG3 H 2.10 0.02 2 1072 . 125 PRO HD2 H 3.72 0.02 2 1073 . 125 PRO HD3 H 4.23 0.02 2 1074 . 125 PRO C C 176.9 0.2 1 1075 . 125 PRO CA C 62.4 0.2 1 1076 . 125 PRO CB C 32.7 0.2 1 1077 . 125 PRO CG C 28.2 0.2 1 1078 . 125 PRO CD C 51.2 0.2 1 1079 . 126 ASN H H 8.91 0.02 1 1080 . 126 ASN HA H 4.55 0.02 1 1081 . 126 ASN HB2 H 2.78 0.02 2 1082 . 126 ASN HB3 H 2.90 0.02 2 1083 . 126 ASN C C 175.4 0.2 1 1084 . 126 ASN CA C 54.1 0.2 1 1085 . 126 ASN CB C 37.9 0.2 1 1086 . 126 ASN N N 123.4 0.2 1 1087 . 127 GLY H H 8.60 0.02 1 1088 . 127 GLY HA2 H 3.94 0.02 2 1089 . 127 GLY HA3 H 4.21 0.02 2 1090 . 127 GLY C C 171.1 0.2 1 1091 . 127 GLY CA C 44.9 0.2 1 1092 . 127 GLY N N 107.7 0.2 1 1093 . 128 THR H H 8.05 0.02 1 1094 . 128 THR HA H 5.11 0.02 1 1095 . 128 THR HB H 3.75 0.02 1 1096 . 128 THR HG2 H 1.03 0.02 1 1097 . 128 THR C C 173.7 0.2 1 1098 . 128 THR CA C 61.9 0.2 1 1099 . 128 THR CB C 69.9 0.2 1 1100 . 128 THR CG2 C 22.1 0.2 1 1101 . 128 THR N N 115.5 0.2 1 1102 . 129 TYR H H 9.38 0.02 1 1103 . 129 TYR HA H 4.91 0.02 1 1104 . 129 TYR HB2 H 2.28 0.02 2 1105 . 129 TYR HB3 H 2.84 0.02 2 1106 . 129 TYR HD1 H 6.61 0.02 3 1107 . 129 TYR HE1 H 6.60 0.02 3 1108 . 129 TYR C C 175.3 0.2 1 1109 . 129 TYR CA C 57.7 0.2 1 1110 . 129 TYR CB C 43.2 0.2 1 1111 . 129 TYR CD1 C 132.7 0.2 3 1112 . 129 TYR CE1 C 117.2 0.2 3 1113 . 129 TYR N N 124.6 0.2 1 1114 . 130 TYR H H 9.21 0.02 1 1115 . 130 TYR HA H 5.28 0.02 1 1116 . 130 TYR HB2 H 2.44 0.02 2 1117 . 130 TYR HB3 H 2.48 0.02 2 1118 . 130 TYR HD1 H 6.82 0.02 3 1119 . 130 TYR HE1 H 6.73 0.02 3 1120 . 130 TYR C C 175.4 0.2 1 1121 . 130 TYR CA C 58.5 0.2 1 1122 . 130 TYR CB C 42.1 0.2 1 1123 . 130 TYR CD1 C 132.6 0.2 3 1124 . 130 TYR CE1 C 118.1 0.2 3 1125 . 130 TYR N N 117.1 0.2 1 1126 . 131 ILE H H 9.10 0.02 1 1127 . 131 ILE HA H 5.55 0.02 1 1128 . 131 ILE HB H 1.52 0.02 1 1129 . 131 ILE HG12 H 0.89 0.02 2 1130 . 131 ILE HG13 H 1.56 0.02 2 1131 . 131 ILE HG2 H 0.89 0.02 1 1132 . 131 ILE HD1 H 0.82 0.02 1 1133 . 131 ILE C C 174.4 0.2 1 1134 . 131 ILE CA C 58.6 0.2 1 1135 . 131 ILE CB C 40.7 0.2 1 1136 . 131 ILE CG1 C 28.0 0.2 1 1137 . 131 ILE CG2 C 17.8 0.2 1 1138 . 131 ILE CD1 C 15.7 0.2 1 1139 . 131 ILE N N 122.1 0.2 1 1140 . 132 SER H H 9.20 0.02 1 1141 . 132 SER HA H 5.72 0.02 1 1142 . 132 SER HB2 H 3.46 0.02 2 1143 . 132 SER HB3 H 3.53 0.02 2 1144 . 132 SER C C 174.1 0.2 1 1145 . 132 SER CA C 56.6 0.2 1 1146 . 132 SER CB C 67.1 0.2 1 1147 . 132 SER N N 119.8 0.2 1 1148 . 133 SER H H 9.03 0.02 1 1149 . 133 SER HA H 4.63 0.02 1 1150 . 133 SER HB2 H 3.25 0.02 2 1151 . 133 SER HB3 H 3.85 0.02 2 1152 . 133 SER C C 172.8 0.2 1 1153 . 133 SER CA C 57.7 0.2 1 1154 . 133 SER CB C 66.2 0.2 1 1155 . 133 SER N N 117.7 0.2 1 1156 . 134 GLU H H 8.64 0.02 1 1157 . 134 GLU HA H 4.75 0.02 1 1158 . 134 GLU HB2 H 1.87 0.02 2 1159 . 134 GLU HB3 H 1.89 0.02 2 1160 . 134 GLU HG2 H 1.86 0.02 2 1161 . 134 GLU HG3 H 2.05 0.02 2 1162 . 134 GLU C C 173.2 0.2 1 1163 . 134 GLU CA C 56.0 0.2 1 1164 . 134 GLU CB C 32.3 0.2 1 1165 . 134 GLU CG C 36.7 0.2 1 1166 . 134 GLU N N 124.0 0.2 1 1167 . 135 LEU H H 8.56 0.02 1 1168 . 135 LEU HA H 5.02 0.02 1 1169 . 135 LEU HB2 H 1.31 0.02 2 1170 . 135 LEU HB3 H 2.09 0.02 2 1171 . 135 LEU HG H 1.84 0.02 1 1172 . 135 LEU HD1 H 1.11 0.02 1 1173 . 135 LEU HD2 H 0.79 0.02 1 1174 . 135 LEU C C 173.7 0.2 1 1175 . 135 LEU CA C 54.4 0.2 1 1176 . 135 LEU CB C 44.8 0.2 1 1177 . 135 LEU CG C 27.6 0.2 1 1178 . 135 LEU CD1 C 24.4 0.2 1 1179 . 135 LEU CD2 C 26.2 0.2 1 1180 . 135 LEU N N 129.6 0.2 1 1181 . 136 THR H H 8.50 0.02 1 1182 . 136 THR HA H 5.46 0.02 1 1183 . 136 THR HB H 4.07 0.02 1 1184 . 136 THR HG2 H 0.96 0.02 1 1185 . 136 THR C C 173.9 0.2 1 1186 . 136 THR CA C 59.1 0.2 1 1187 . 136 THR CB C 72.5 0.2 1 1188 . 136 THR CG2 C 21.3 0.2 1 1189 . 136 THR N N 115.6 0.2 1 1190 . 137 TRP H H 8.06 0.02 1 1191 . 137 TRP HA H 4.98 0.02 1 1192 . 137 TRP HB2 H 3.26 0.02 2 1193 . 137 TRP HB3 H 3.55 0.02 2 1194 . 137 TRP HD1 H 7.03 0.02 1 1195 . 137 TRP HE1 H 10.28 0.02 1 1196 . 137 TRP HE3 H 6.97 0.02 1 1197 . 137 TRP HZ2 H 7.01 0.02 1 1198 . 137 TRP HZ3 H 6.85 0.02 1 1199 . 137 TRP HH2 H 6.77 0.02 1 1200 . 137 TRP C C 172.9 0.2 1 1201 . 137 TRP CA C 57.3 0.2 1 1202 . 137 TRP CB C 30.7 0.2 1 1203 . 137 TRP CD1 C 127.6 0.2 1 1204 . 137 TRP CE3 C 121.0 0.2 1 1205 . 137 TRP CZ2 C 114.5 0.2 1 1206 . 137 TRP CZ3 C 121.8 0.2 1 1207 . 137 TRP CH2 C 123.2 0.2 1 1208 . 137 TRP N N 119.2 0.2 1 1209 . 137 TRP NE1 N 130.0 0.2 1 1210 . 138 SER H H 8.61 0.02 1 1211 . 138 SER HA H 5.27 0.02 1 1212 . 138 SER HB2 H 3.79 0.02 2 1213 . 138 SER HB3 H 3.82 0.02 2 1214 . 138 SER C C 173.8 0.2 1 1215 . 138 SER CA C 57.5 0.2 1 1216 . 138 SER CB C 64.9 0.2 1 1217 . 138 SER N N 114.9 0.2 1 1218 . 139 ALA H H 9.01 0.02 1 1219 . 139 ALA HA H 4.81 0.02 1 1220 . 139 ALA HB H 1.49 0.02 1 1221 . 139 ALA C C 175.5 0.2 1 1222 . 139 ALA CA C 51.2 0.2 1 1223 . 139 ALA CB C 23.0 0.2 1 1224 . 139 ALA N N 127.3 0.2 1 1225 . 140 GLN H H 8.52 0.02 1 1226 . 140 GLN HA H 5.14 0.02 1 1227 . 140 GLN HB2 H 1.95 0.02 2 1228 . 140 GLN HB3 H 2.03 0.02 2 1229 . 140 GLN HG2 H 2.27 0.02 2 1230 . 140 GLN HG3 H 2.31 0.02 2 1231 . 140 GLN C C 176.4 0.2 1 1232 . 140 GLN CA C 54.7 0.2 1 1233 . 140 GLN CB C 30.9 0.2 1 1234 . 140 GLN CG C 34.2 0.2 1 1235 . 140 GLN N N 118.8 0.2 1 1236 . 141 SER H H 8.93 0.02 1 1237 . 141 SER HA H 4.60 0.02 1 1238 . 141 SER HB2 H 3.59 0.02 2 1239 . 141 SER HB3 H 3.66 0.02 2 1240 . 141 SER C C 174.7 0.2 1 1241 . 141 SER CA C 57.4 0.2 1 1242 . 141 SER CB C 64.3 0.2 1 1243 . 141 SER N N 118.3 0.2 1 1244 . 142 ASP H H 9.33 0.02 1 1245 . 142 ASP HA H 4.38 0.02 1 1246 . 142 ASP HB2 H 2.60 0.02 2 1247 . 142 ASP HB3 H 3.00 0.02 2 1248 . 142 ASP C C 175.8 0.2 1 1249 . 142 ASP CA C 55.5 0.2 1 1250 . 142 ASP CB C 40.2 0.2 1 1251 . 142 ASP N N 128.1 0.2 1 1252 . 143 GLY H H 8.65 0.02 1 1253 . 143 GLY HA2 H 3.70 0.02 2 1254 . 143 GLY HA3 H 4.18 0.02 2 1255 . 143 GLY C C 173.9 0.2 1 1256 . 143 GLY CA C 45.6 0.2 1 1257 . 143 GLY N N 104.4 0.2 1 1258 . 144 LYS H H 7.88 0.02 1 1259 . 144 LYS HA H 4.71 0.02 1 1260 . 144 LYS HB2 H 1.84 0.02 2 1261 . 144 LYS HB3 H 1.86 0.02 2 1262 . 144 LYS HG2 H 1.43 0.02 2 1263 . 144 LYS HG3 H 1.50 0.02 2 1264 . 144 LYS HD2 H 1.71 0.02 2 1265 . 144 LYS HD3 H 1.73 0.02 2 1266 . 144 LYS C C 175.3 0.2 1 1267 . 144 LYS CA C 54.7 0.2 1 1268 . 144 LYS CB C 34.8 0.2 1 1269 . 144 LYS CG C 24.3 0.2 1 1270 . 144 LYS CD C 29.0 0.2 1 1271 . 144 LYS N N 120.6 0.2 1 1272 . 145 THR H H 8.55 0.02 1 1273 . 145 THR HA H 4.81 0.02 1 1274 . 145 THR HB H 4.03 0.02 1 1275 . 145 THR HG2 H 1.19 0.02 1 1276 . 145 THR C C 174.4 0.2 1 1277 . 145 THR CA C 62.9 0.2 1 1278 . 145 THR CB C 69.4 0.2 1 1279 . 145 THR CG2 C 22.1 0.2 1 1280 . 145 THR N N 118.8 0.2 1 1281 . 146 ILE H H 9.12 0.02 1 1282 . 146 ILE HA H 4.63 0.02 1 1283 . 146 ILE HB H 1.89 0.02 1 1284 . 146 ILE HG12 H 0.97 0.02 2 1285 . 146 ILE HG13 H 1.25 0.02 2 1286 . 146 ILE HG2 H 0.87 0.02 1 1287 . 146 ILE HD1 H 0.80 0.02 1 1288 . 146 ILE C C 174.7 0.2 1 1289 . 146 ILE CA C 59.5 0.2 1 1290 . 146 ILE CB C 41.5 0.2 1 1291 . 146 ILE CG1 C 26.8 0.2 1 1292 . 146 ILE CG2 C 18.0 0.2 1 1293 . 146 ILE CD1 C 13.6 0.2 1 1294 . 146 ILE N N 124.9 0.2 1 1295 . 147 THR H H 8.34 0.02 1 1296 . 147 THR HA H 4.60 0.02 1 1297 . 147 THR HB H 3.81 0.02 1 1298 . 147 THR HG2 H 1.03 0.02 1 1299 . 147 THR C C 174.2 0.2 1 1300 . 147 THR CA C 62.2 0.2 1 1301 . 147 THR CB C 69.4 0.2 1 1302 . 147 THR CG2 C 21.8 0.2 1 1303 . 147 THR N N 119.5 0.2 1 1304 . 148 GLU H H 8.60 0.02 1 1305 . 148 GLU HA H 4.23 0.02 1 1306 . 148 GLU HB2 H -0.02 0.02 2 1307 . 148 GLU HB3 H 1.07 0.02 2 1308 . 148 GLU HG2 H 1.83 0.02 2 1309 . 148 GLU HG3 H 1.85 0.02 2 1310 . 148 GLU C C 174.6 0.2 1 1311 . 148 GLU CA C 55.3 0.2 1 1312 . 148 GLU CB C 31.5 0.2 1 1313 . 148 GLU CG C 37.4 0.2 1 1314 . 148 GLU N N 128.1 0.2 1 1315 . 149 GLY H H 7.94 0.02 1 1316 . 149 GLY HA2 H 3.56 0.02 2 1317 . 149 GLY HA3 H 4.75 0.02 2 1318 . 149 GLY C C 175.6 0.2 1 1319 . 149 GLY CA C 44.5 0.2 1 1320 . 149 GLY N N 104.5 0.2 1 1321 . 150 GLY H H 8.30 0.02 1 1322 . 150 GLY HA2 H 3.83 0.02 1 1323 . 150 GLY HA3 H 4.87 0.02 1 1324 . 150 GLY C C 172.0 0.2 1 1325 . 150 GLY CA C 45.6 0.2 1 1326 . 150 GLY N N 107.0 0.2 1 1327 . 151 THR H H 8.27 0.02 1 1328 . 151 THR HA H 5.12 0.02 1 1329 . 151 THR HB H 4.45 0.02 1 1330 . 151 THR HG2 H 1.39 0.02 1 1331 . 151 THR C C 174.8 0.2 1 1332 . 151 THR CA C 59.9 0.2 1 1333 . 151 THR CB C 71.7 0.2 1 1334 . 151 THR CG2 C 24.2 0.2 1 1335 . 151 THR N N 110.3 0.2 1 1336 . 152 VAL H H 8.72 0.02 1 1337 . 152 VAL HA H 4.99 0.02 1 1338 . 152 VAL HB H 1.93 0.02 1 1339 . 152 VAL HG1 H 0.78 0.02 1 1340 . 152 VAL HG2 H 0.78 0.02 1 1341 . 152 VAL C C 172.8 0.2 1 1342 . 152 VAL CA C 60.8 0.2 1 1343 . 152 VAL CB C 33.9 0.2 1 1344 . 152 VAL CG1 C 18.5 0.2 1 1345 . 152 VAL CG2 C 21.0 0.2 1 1346 . 152 VAL N N 122.0 0.2 1 1347 . 153 THR H H 8.43 0.02 1 1348 . 153 THR HA H 5.48 0.02 1 1349 . 153 THR HB H 3.30 0.02 1 1350 . 153 THR HG1 H 6.42 0.02 1 1351 . 153 THR HG2 H 0.47 0.02 1 1352 . 153 THR C C 174.3 0.2 1 1353 . 153 THR CA C 61.9 0.2 1 1354 . 153 THR CB C 72.5 0.2 1 1355 . 153 THR CG2 C 20.3 0.2 1 1356 . 153 THR N N 123.2 0.2 1 1357 . 154 LYS H H 9.11 0.02 1 1358 . 154 LYS HA H 4.85 0.02 1 1359 . 154 LYS HB2 H 1.48 0.02 2 1360 . 154 LYS HB3 H 1.86 0.02 2 1361 . 154 LYS HG2 H 1.49 0.02 2 1362 . 154 LYS HG3 H 1.51 0.02 2 1363 . 154 LYS HD2 H 1.86 0.02 2 1364 . 154 LYS HD3 H 1.87 0.02 2 1365 . 154 LYS HE2 H 3.14 0.02 2 1366 . 154 LYS HE3 H 3.36 0.02 2 1367 . 154 LYS C C 173.8 0.2 1 1368 . 154 LYS CA C 54.0 0.2 1 1369 . 154 LYS CB C 36.9 0.2 1 1370 . 154 LYS CG C 25.7 0.2 1 1371 . 154 LYS CD C 29.3 0.2 1 1372 . 154 LYS CE C 42.9 0.2 1 1373 . 154 LYS N N 125.3 0.2 1 1374 . 155 LEU H H 8.35 0.02 1 1375 . 155 LEU HA H 5.11 0.02 1 1376 . 155 LEU HB2 H 1.45 0.02 2 1377 . 155 LEU HB3 H 1.55 0.02 2 1378 . 155 LEU HG H 1.25 0.02 1 1379 . 155 LEU HD1 H 0.47 0.02 1 1380 . 155 LEU HD2 H 0.44 0.02 1 1381 . 155 LEU C C 177.1 0.2 1 1382 . 155 LEU CA C 54.2 0.2 1 1383 . 155 LEU CB C 44.5 0.2 1 1384 . 155 LEU CG C 27.3 0.2 1 1385 . 155 LEU CD1 C 25.0 0.2 1 1386 . 155 LEU CD2 C 25.3 0.2 1 1387 . 155 LEU N N 124.2 0.2 1 1388 . 156 VAL H H 9.41 0.02 1 1389 . 156 VAL HA H 4.63 0.02 1 1390 . 156 VAL HB H 1.91 0.02 1 1391 . 156 VAL HG1 H 0.79 0.02 1 1392 . 156 VAL HG2 H 0.80 0.02 1 1393 . 156 VAL C C 173.7 0.2 1 1394 . 156 VAL CA C 60.2 0.2 1 1395 . 156 VAL CB C 35.9 0.2 1 1396 . 156 VAL CG1 C 21.1 0.2 1 1397 . 156 VAL CG2 C 20.6 0.2 1 1398 . 156 VAL N N 122.7 0.2 1 1399 . 157 THR H H 9.11 0.02 1 1400 . 157 THR HA H 4.99 0.02 1 1401 . 157 THR HB H 3.94 0.02 1 1402 . 157 THR HG2 H 1.07 0.02 1 1403 . 157 THR C C 173.2 0.2 1 1404 . 157 THR CA C 62.3 0.2 1 1405 . 157 THR CB C 70.5 0.2 1 1406 . 157 THR CG2 C 21.2 0.2 1 1407 . 157 THR N N 122.7 0.2 1 1408 . 158 VAL H H 9.51 0.02 1 1409 . 158 VAL HA H 4.29 0.02 1 1410 . 158 VAL HB H 2.29 0.02 1 1411 . 158 VAL HG1 H 0.79 0.02 1 1412 . 158 VAL HG2 H 0.95 0.02 1 1413 . 158 VAL C C 175.7 0.2 1 1414 . 158 VAL CA C 62.0 0.2 1 1415 . 158 VAL CB C 33.6 0.2 1 1416 . 158 VAL CG1 C 21.1 0.2 1 1417 . 158 VAL CG2 C 21.0 0.2 1 1418 . 158 VAL N N 129.8 0.2 1 1419 . 159 SER H H 8.96 0.02 1 1420 . 159 SER HA H 4.65 0.02 1 1421 . 159 SER HB2 H 3.72 0.02 2 1422 . 159 SER HB3 H 3.75 0.02 2 1423 . 159 SER C C 174.1 0.2 1 1424 . 159 SER CA C 57.0 0.2 1 1425 . 159 SER CB C 64.3 0.2 1 1426 . 159 SER N N 123.3 0.2 1 1427 . 160 GLY H H 8.36 0.02 1 1428 . 160 GLY HA2 H 4.04 0.02 2 1429 . 160 GLY HA3 H 4.33 0.02 2 1430 . 160 GLY C C 174.2 0.2 1 1431 . 160 GLY CA C 45.5 0.2 1 1432 . 160 GLY N N 113.0 0.2 1 1433 . 161 SER H H 8.50 0.02 1 1434 . 161 SER HA H 4.44 0.02 1 1435 . 161 SER HB2 H 3.82 0.02 2 1436 . 161 SER HB3 H 3.98 0.02 2 1437 . 161 SER C C 174.6 0.2 1 1438 . 161 SER CA C 58.8 0.2 1 1439 . 161 SER CB C 64.3 0.2 1 1440 . 161 SER N N 113.3 0.2 1 1441 . 162 GLN H H 8.22 0.02 1 1442 . 162 GLN HA H 4.63 0.02 1 1443 . 162 GLN HB2 H 2.09 0.02 2 1444 . 162 GLN HB3 H 2.13 0.02 2 1445 . 162 GLN HG2 H 2.46 0.02 2 1446 . 162 GLN HG3 H 2.48 0.02 2 1447 . 162 GLN C C 175.1 0.2 1 1448 . 162 GLN CA C 54.2 0.2 1 1449 . 162 GLN CB C 28.3 0.2 1 1450 . 162 GLN CG C 33.5 0.2 1 1451 . 162 GLN N N 122.7 0.2 1 1452 . 163 PRO HA H 4.59 0.02 1 1453 . 163 PRO HB2 H 1.82 0.02 2 1454 . 163 PRO HB3 H 2.13 0.02 2 1455 . 163 PRO HG2 H 1.89 0.02 2 1456 . 163 PRO HG3 H 2.16 0.02 2 1457 . 163 PRO HD2 H 3.70 0.02 2 1458 . 163 PRO HD3 H 4.08 0.02 2 1459 . 163 PRO C C 176.1 0.2 1 1460 . 163 PRO CA C 63.8 0.2 1 1461 . 163 PRO CB C 32.3 0.2 1 1462 . 163 PRO CG C 27.9 0.2 1 1463 . 163 PRO CD C 50.8 0.2 1 1464 . 164 GLN H H 8.35 0.02 1 1465 . 164 GLN HA H 4.75 0.02 1 1466 . 164 GLN HB2 H 2.09 0.02 2 1467 . 164 GLN HB3 H 2.11 0.02 2 1468 . 164 GLN HG2 H 2.29 0.02 2 1469 . 164 GLN HG3 H 2.33 0.02 2 1470 . 164 GLN HE21 H 7.14 0.02 2 1471 . 164 GLN HE22 H 7.92 0.02 2 1472 . 164 GLN C C 173.6 0.2 1 1473 . 164 GLN CA C 54.1 0.2 1 1474 . 164 GLN CB C 32.0 0.2 1 1475 . 164 GLN CG C 34.3 0.2 1 1476 . 164 GLN N N 122.7 0.2 1 1477 . 164 GLN NE2 N 112.5 0.2 1 1478 . 165 LYS H H 8.65 0.02 1 1479 . 165 LYS HA H 5.30 0.02 1 1480 . 165 LYS HB2 H 1.73 0.02 2 1481 . 165 LYS HB3 H 1.79 0.02 2 1482 . 165 LYS HG2 H 1.31 0.02 2 1483 . 165 LYS HG3 H 1.33 0.02 2 1484 . 165 LYS HD2 H 1.65 0.02 2 1485 . 165 LYS HD3 H 1.67 0.02 2 1486 . 165 LYS HE2 H 2.85 0.02 2 1487 . 165 LYS HE3 H 2.87 0.02 2 1488 . 165 LYS C C 177.0 0.2 1 1489 . 165 LYS CA C 54.5 0.2 1 1490 . 165 LYS CB C 33.3 0.2 1 1491 . 165 LYS CG C 25.0 0.2 1 1492 . 165 LYS CD C 28.8 0.2 1 1493 . 165 LYS CE C 41.8 0.2 1 1494 . 165 LYS N N 126.4 0.2 1 1495 . 166 VAL H H 8.90 0.02 1 1496 . 166 VAL HA H 4.40 0.02 1 1497 . 166 VAL HB H 1.88 0.02 1 1498 . 166 VAL HG1 H 0.92 0.02 1 1499 . 166 VAL HG2 H 0.93 0.02 1 1500 . 166 VAL C C 173.9 0.2 1 1501 . 166 VAL CA C 60.9 0.2 1 1502 . 166 VAL CB C 35.7 0.2 1 1503 . 166 VAL CG1 C 20.4 0.2 1 1504 . 166 VAL CG2 C 22.0 0.2 1 1505 . 166 VAL N N 126.2 0.2 1 1506 . 167 LEU H H 8.88 0.02 1 1507 . 167 LEU HA H 4.76 0.02 1 1508 . 167 LEU HB2 H 1.48 0.02 2 1509 . 167 LEU HB3 H 1.85 0.02 2 1510 . 167 LEU HG H 1.65 0.02 1 1511 . 167 LEU HD1 H 1.02 0.02 1 1512 . 167 LEU HD2 H 1.03 0.02 1 1513 . 167 LEU C C 174.8 0.2 1 1514 . 167 LEU CA C 53.7 0.2 1 1515 . 167 LEU CB C 40.8 0.2 1 1516 . 167 LEU CG C 27.1 0.2 1 1517 . 167 LEU CD1 C 24.7 0.2 1 1518 . 167 LEU CD2 C 24.2 0.2 1 1519 . 167 LEU N N 128.7 0.2 1 1520 . 168 LEU H H 9.28 0.02 1 1521 . 168 LEU HA H 4.40 0.02 1 1522 . 168 LEU HB2 H 1.04 0.02 2 1523 . 168 LEU HB3 H 2.41 0.02 2 1524 . 168 LEU HG H 1.57 0.02 1 1525 . 168 LEU HD1 H 0.76 0.02 1 1526 . 168 LEU HD2 H 0.72 0.02 1 1527 . 168 LEU C C 170.7 0.2 1 1528 . 168 LEU CA C 53.5 0.2 1 1529 . 168 LEU CB C 41.3 0.2 1 1530 . 168 LEU CG C 26.6 0.2 1 1531 . 168 LEU CD1 C 24.3 0.2 1 1532 . 168 LEU CD2 C 27.7 0.2 1 1533 . 168 LEU N N 131.5 0.2 1 1534 . 169 THR H H 6.89 0.02 1 1535 . 169 THR HA H 4.66 0.02 1 1536 . 169 THR HB H 2.99 0.02 1 1537 . 169 THR HG2 H 0.72 0.02 1 1538 . 169 THR C C 171.1 0.2 1 1539 . 169 THR CA C 59.6 0.2 1 1540 . 169 THR CB C 69.6 0.2 1 1541 . 169 THR CG2 C 16.9 0.2 1 1542 . 169 THR N N 114.6 0.2 1 1543 . 170 ARG H H 7.80 0.02 1 1544 . 170 ARG HA H 4.34 0.02 1 1545 . 170 ARG HB2 H 1.80 0.02 2 1546 . 170 ARG HB3 H 2.03 0.02 2 1547 . 170 ARG HD2 H 3.22 0.02 2 1548 . 170 ARG HD3 H 3.28 0.02 2 1549 . 170 ARG CA C 57.1 0.2 1 1550 . 170 ARG CB C 30.0 0.2 1 1551 . 170 ARG CD C 43.4 0.2 1 1552 . 170 ARG N N 124.1 0.2 1 stop_ save_