data_17481 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Q5HLI9 from Staphylococcus epidermidis, Northeast Structural Genomics Consortium Target SeR147 ; _BMRB_accession_number 17481 _BMRB_flat_file_name bmr17481.str _Entry_type original _Submission_date 2011-02-22 _Accession_date 2011-02-22 _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 Mills Jeffrey L. . 2 Eletsky Alex . . 3 Lee Hsiau-Wei . . 4 Lee Dan . . 5 Ciccosanti Colleen . . 6 Sapin Ari . . 7 Mao Lei . . 8 Nair Rajesh . . 9 Rost Burkhard . . 10 Acton Thomas B. . 11 Xiao Rong . . 12 Everett John K. . 13 Prestegard James H. . 14 Montelione Gaetano T. . 15 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 882 "13C chemical shifts" 634 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-02 original author . stop_ _Original_release_date 2011-05-02 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Northeast Structural Genomics Consortium Target SeR147' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mills Jeffrey L. . 2 Eletsky Alex . . 3 Lee Hsiau-Wei . . 4 Lee Dan . . 5 Ciccosanti Colleen . . 6 Sapin Ari . . 7 Mao Lei . . 8 Nair Rajesh . . 9 Rost Burkhard . . 10 Acton Thomas B. . 11 Xiao Rong . . 12 Everett John K. . 13 Prestegard James H. . 14 Montelione Gaetano T. . 15 Szyperski Thomas . . stop_ _Journal_abbreviation 'To be published' _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 SeR147 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SeR147 $SeR147 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SeR147 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SeR147 _Molecular_mass 18778.254 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; MTIEKKKNKIIFTRTFSAPI NKVFDAYTKRELFEQWFHPQ DASVTVYDFNATKGGSAFYA IQAPQMISYTIAEYLQVDAP YYIEYLDYFATSKGEKDTSM PGMHITLNFEEVKGKTTVTS TSTFPTESAAQQAIDMGVET GMNSTLNQLEKLLNQKLEHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ILE 4 GLU 5 LYS 6 LYS 7 LYS 8 ASN 9 LYS 10 ILE 11 ILE 12 PHE 13 THR 14 ARG 15 THR 16 PHE 17 SER 18 ALA 19 PRO 20 ILE 21 ASN 22 LYS 23 VAL 24 PHE 25 ASP 26 ALA 27 TYR 28 THR 29 LYS 30 ARG 31 GLU 32 LEU 33 PHE 34 GLU 35 GLN 36 TRP 37 PHE 38 HIS 39 PRO 40 GLN 41 ASP 42 ALA 43 SER 44 VAL 45 THR 46 VAL 47 TYR 48 ASP 49 PHE 50 ASN 51 ALA 52 THR 53 LYS 54 GLY 55 GLY 56 SER 57 ALA 58 PHE 59 TYR 60 ALA 61 ILE 62 GLN 63 ALA 64 PRO 65 GLN 66 MET 67 ILE 68 SER 69 TYR 70 THR 71 ILE 72 ALA 73 GLU 74 TYR 75 LEU 76 GLN 77 VAL 78 ASP 79 ALA 80 PRO 81 TYR 82 TYR 83 ILE 84 GLU 85 TYR 86 LEU 87 ASP 88 TYR 89 PHE 90 ALA 91 THR 92 SER 93 LYS 94 GLY 95 GLU 96 LYS 97 ASP 98 THR 99 SER 100 MET 101 PRO 102 GLY 103 MET 104 HIS 105 ILE 106 THR 107 LEU 108 ASN 109 PHE 110 GLU 111 GLU 112 VAL 113 LYS 114 GLY 115 LYS 116 THR 117 THR 118 VAL 119 THR 120 SER 121 THR 122 SER 123 THR 124 PHE 125 PRO 126 THR 127 GLU 128 SER 129 ALA 130 ALA 131 GLN 132 GLN 133 ALA 134 ILE 135 ASP 136 MET 137 GLY 138 VAL 139 GLU 140 THR 141 GLY 142 MET 143 ASN 144 SER 145 THR 146 LEU 147 ASN 148 GLN 149 LEU 150 GLU 151 LYS 152 LEU 153 LEU 154 ASN 155 GLN 156 LYS 157 LEU 158 GLU 159 HIS 160 HIS 161 HIS 162 HIS 163 HIS 164 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 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 2L9P "Solution Nmr Structure Of Q5hli9 From Staphylococcus Epidermidis, Northeast Structural Genomics Consortium Target Ser147" 100.00 164 100.00 100.00 1.73e-117 EMBL CDM14527 "Probable glutathione S-transferase-related transmembrane protein [Staphylococcus epidermidis PM221]" 95.12 156 98.72 99.36 9.06e-109 GB AAO05627 "conserved hypothetical protein [Staphylococcus epidermidis ATCC 12228]" 95.12 156 100.00 100.00 2.46e-110 GB AAW52927 "conserved hypothetical protein [Staphylococcus epidermidis RP62A]" 95.12 156 98.72 99.36 9.06e-109 GB AIR83241 "hypothetical protein DP17_933 [Staphylococcus epidermidis]" 95.12 156 98.72 99.36 8.39e-109 GB AJP25447 "glutathione S-transferase [Staphylococcus epidermidis]" 95.12 156 98.72 99.36 9.06e-109 GB EES35074 "hypothetical protein HMPREF0791_2319 [Staphylococcus epidermidis W23144]" 95.12 156 97.44 98.08 4.43e-107 REF NP_765541 "hypothetical protein SE1986 [Staphylococcus epidermidis ATCC 12228]" 95.12 156 100.00 100.00 2.46e-110 REF WP_001831546 "MULTISPECIES: glutathione S-transferase [Staphylococcus]" 95.12 156 99.36 99.36 1.43e-109 REF WP_001832905 "glutathione S-transferase [Staphylococcus epidermidis]" 93.29 160 98.04 98.69 8.51e-106 REF WP_002438297 "MULTISPECIES: glutathione S-transferase [Bacteria]" 95.12 156 98.72 99.36 9.06e-109 REF WP_002447189 "glutathione S-transferase [Staphylococcus epidermidis]" 95.12 156 97.44 98.08 4.43e-107 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $SeR147 'Staphylococcus epidermidis' 1282 Bacteria . Staphylococcus epidermidis 'ATCC 35984' SERP1998 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 $SeR147 'recombinant technology' 'Escherichia coli' Escherichia coli . 'pET 21-23C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SeR147 0.6 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' TRIS 10 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_NC5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SeR147 0.62 mM '[U-5% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' TRIS 10 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_NC5aniso _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SeR147 0.41 mM '[U-5% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' TRIS 10 mM 'natural abundance' phage 13.2 mg/mL 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis' refinement stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NC save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $NC save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NC save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $NC save_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $NC save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $NC save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $NC save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC5 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC5aniso save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $citations $citations DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $citations $citations DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $citations $citations stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' stop_ loop_ _Sample_label $NC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SeR147 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 ILE HA H 5.271 0.020 1 2 3 3 ILE HB H 0.876 0.020 1 3 3 3 ILE HG12 H 2.100 0.020 2 4 3 3 ILE HG13 H 2.046 0.020 2 5 3 3 ILE HG2 H 0.875 0.020 1 6 3 3 ILE HD1 H 0.876 0.020 1 7 3 3 ILE C C 172.994 0.300 1 8 3 3 ILE CA C 59.741 0.300 1 9 3 3 ILE CB C 42.618 0.300 1 10 3 3 ILE CG1 C 29.716 0.300 1 11 3 3 ILE CG2 C 16.040 0.300 1 12 3 3 ILE CD1 C 16.276 0.300 1 13 4 4 GLU H H 8.775 0.020 1 14 4 4 GLU HA H 4.549 0.020 1 15 4 4 GLU HB2 H 1.928 0.020 2 16 4 4 GLU HB3 H 1.878 0.020 2 17 4 4 GLU HG2 H 2.166 0.020 2 18 4 4 GLU HG3 H 2.017 0.020 2 19 4 4 GLU C C 173.521 0.300 1 20 4 4 GLU CA C 55.205 0.300 1 21 4 4 GLU CB C 34.026 0.300 1 22 4 4 GLU CG C 36.243 0.300 1 23 4 4 GLU N N 126.110 0.300 1 24 5 5 LYS H H 8.842 0.020 1 25 5 5 LYS HA H 5.093 0.020 1 26 5 5 LYS HB2 H 1.804 0.020 2 27 5 5 LYS HB3 H 1.472 0.020 2 28 5 5 LYS HG2 H 1.283 0.020 1 29 5 5 LYS HG3 H 1.283 0.020 1 30 5 5 LYS HD2 H 1.596 0.020 1 31 5 5 LYS HD3 H 1.596 0.020 1 32 5 5 LYS HE2 H 3.004 0.020 1 33 5 5 LYS HE3 H 3.004 0.020 1 34 5 5 LYS C C 175.631 0.300 1 35 5 5 LYS CA C 54.896 0.300 1 36 5 5 LYS CB C 34.013 0.300 1 37 5 5 LYS CG C 24.372 0.300 1 38 5 5 LYS CD C 29.320 0.300 1 39 5 5 LYS CE C 41.846 0.300 1 40 5 5 LYS N N 126.309 0.300 1 41 6 6 LYS H H 9.105 0.020 1 42 6 6 LYS HA H 4.573 0.020 1 43 6 6 LYS HB2 H 1.689 0.020 1 44 6 6 LYS HB3 H 1.689 0.020 1 45 6 6 LYS HG2 H 1.282 0.020 1 46 6 6 LYS HG3 H 1.282 0.020 1 47 6 6 LYS HD2 H 1.601 0.020 1 48 6 6 LYS HD3 H 1.601 0.020 1 49 6 6 LYS HE2 H 3.004 0.020 1 50 6 6 LYS HE3 H 3.004 0.020 1 51 6 6 LYS CA C 54.896 0.300 1 52 6 6 LYS CB C 33.958 0.300 1 53 6 6 LYS CG C 24.666 0.300 1 54 6 6 LYS CD C 29.358 0.300 1 55 6 6 LYS CE C 41.994 0.300 1 56 6 6 LYS N N 129.904 0.300 1 57 7 7 LYS HA H 3.671 0.020 1 58 7 7 LYS HB2 H 2.132 0.020 2 59 7 7 LYS HB3 H 1.924 0.020 2 60 7 7 LYS HG2 H 1.456 0.020 1 61 7 7 LYS HG3 H 1.456 0.020 1 62 7 7 LYS HD2 H 1.907 0.020 2 63 7 7 LYS HD3 H 1.742 0.020 2 64 7 7 LYS HE2 H 3.003 0.020 1 65 7 7 LYS HE3 H 3.003 0.020 1 66 7 7 LYS C C 173.521 0.300 1 67 7 7 LYS CA C 59.154 0.300 1 68 7 7 LYS CB C 30.116 0.300 1 69 7 7 LYS CG C 25.318 0.300 1 70 7 7 LYS CD C 29.209 0.300 1 71 7 7 LYS CE C 42.159 0.300 1 72 8 8 ASN H H 8.904 0.020 1 73 8 8 ASN HA H 4.527 0.020 1 74 8 8 ASN HB2 H 2.240 0.020 1 75 8 8 ASN HB3 H 3.147 0.020 1 76 8 8 ASN HD21 H 7.803 0.020 2 77 8 8 ASN HD22 H 7.264 0.020 2 78 8 8 ASN C C 176.057 0.300 1 79 8 8 ASN CA C 53.646 0.300 1 80 8 8 ASN CB C 36.234 0.300 1 81 8 8 ASN N N 118.295 0.300 1 82 8 8 ASN ND2 N 115.283 0.300 1 83 9 9 LYS H H 8.225 0.020 1 84 9 9 LYS HA H 5.750 0.020 1 85 9 9 LYS HB2 H 1.902 0.020 2 86 9 9 LYS HB3 H 1.505 0.020 2 87 9 9 LYS HG2 H 1.574 0.020 2 88 9 9 LYS HG3 H 1.402 0.020 2 89 9 9 LYS HD2 H 1.615 0.020 2 90 9 9 LYS HD3 H 1.475 0.020 2 91 9 9 LYS HE2 H 3.134 0.020 1 92 9 9 LYS HE3 H 3.134 0.020 1 93 9 9 LYS C C 175.631 0.300 1 94 9 9 LYS CA C 55.264 0.300 1 95 9 9 LYS CB C 35.750 0.300 1 96 9 9 LYS CG C 25.936 0.300 1 97 9 9 LYS CD C 29.754 0.300 1 98 9 9 LYS CE C 42.233 0.300 1 99 9 9 LYS N N 120.334 0.300 1 100 10 10 ILE H H 8.986 0.020 1 101 10 10 ILE HA H 4.877 0.020 1 102 10 10 ILE HB H 1.933 0.020 1 103 10 10 ILE HG12 H 1.653 0.020 1 104 10 10 ILE HG13 H 1.653 0.020 1 105 10 10 ILE HG2 H 0.866 0.020 1 106 10 10 ILE HD1 H 0.884 0.020 1 107 10 10 ILE C C 175.162 0.300 1 108 10 10 ILE CA C 60.347 0.300 1 109 10 10 ILE CB C 40.339 0.300 1 110 10 10 ILE CG1 C 27.906 0.300 1 111 10 10 ILE CG2 C 17.776 0.300 1 112 10 10 ILE CD1 C 13.680 0.300 1 113 10 10 ILE N N 119.420 0.300 1 114 11 11 ILE H H 9.362 0.020 1 115 11 11 ILE HA H 5.260 0.020 1 116 11 11 ILE HB H 1.750 0.020 1 117 11 11 ILE HG12 H 1.430 0.020 1 118 11 11 ILE HG13 H 1.237 0.020 1 119 11 11 ILE HG2 H 0.783 0.020 1 120 11 11 ILE HD1 H 0.813 0.020 1 121 11 11 ILE C C 175.162 0.300 1 122 11 11 ILE CA C 60.886 0.300 1 123 11 11 ILE CB C 40.416 0.300 1 124 11 11 ILE CG1 C 29.118 0.300 1 125 11 11 ILE CG2 C 18.989 0.300 1 126 11 11 ILE CD1 C 15.116 0.300 1 127 11 11 ILE N N 130.687 0.300 1 128 12 12 PHE H H 9.756 0.020 1 129 12 12 PHE HA H 5.526 0.020 1 130 12 12 PHE HB2 H 3.230 0.020 2 131 12 12 PHE HB3 H 2.856 0.020 2 132 12 12 PHE HD1 H 7.145 0.020 1 133 12 12 PHE HD2 H 7.145 0.020 1 134 12 12 PHE HE1 H 7.145 0.020 1 135 12 12 PHE HE2 H 7.145 0.020 1 136 12 12 PHE C C 174.635 0.300 1 137 12 12 PHE CA C 56.384 0.300 1 138 12 12 PHE CB C 43.792 0.300 1 139 12 12 PHE CD2 C 131.551 0.300 1 140 12 12 PHE CE2 C 130.983 0.300 1 141 12 12 PHE N N 131.651 0.300 1 142 13 13 THR H H 8.164 0.020 1 143 13 13 THR HA H 5.431 0.020 1 144 13 13 THR HB H 3.712 0.020 1 145 13 13 THR HG2 H 1.059 0.020 1 146 13 13 THR C C 172.936 0.300 1 147 13 13 THR CA C 60.396 0.300 1 148 13 13 THR CB C 71.483 0.300 1 149 13 13 THR CG2 C 21.583 0.300 1 150 13 13 THR N N 120.974 0.300 1 151 14 14 ARG H H 8.338 0.020 1 152 14 14 ARG HA H 4.320 0.020 1 153 14 14 ARG HB2 H 1.526 0.020 1 154 14 14 ARG HB3 H 1.709 0.020 1 155 14 14 ARG HG2 H 1.285 0.020 2 156 14 14 ARG HG3 H 1.042 0.020 2 157 14 14 ARG HD2 H 3.175 0.020 2 158 14 14 ARG HD3 H 3.066 0.020 2 159 14 14 ARG C C 172.936 0.300 1 160 14 14 ARG CA C 55.521 0.300 1 161 14 14 ARG CB C 34.700 0.300 1 162 14 14 ARG CG C 27.462 0.300 1 163 14 14 ARG CD C 42.943 0.300 1 164 14 14 ARG N N 124.056 0.300 1 165 15 15 THR H H 8.465 0.020 1 166 15 15 THR HA H 5.190 0.020 1 167 15 15 THR HB H 3.649 0.020 1 168 15 15 THR HG2 H 1.095 0.020 1 169 15 15 THR C C 173.170 0.300 1 170 15 15 THR CA C 61.772 0.300 1 171 15 15 THR CB C 70.560 0.300 1 172 15 15 THR CG2 C 22.839 0.300 1 173 15 15 THR N N 122.323 0.300 1 174 16 16 PHE H H 9.643 0.020 1 175 16 16 PHE HA H 4.859 0.020 1 176 16 16 PHE HB2 H 3.004 0.020 2 177 16 16 PHE HB3 H 2.660 0.020 2 178 16 16 PHE HD1 H 7.192 0.020 1 179 16 16 PHE HD2 H 7.192 0.020 1 180 16 16 PHE HE1 H 7.186 0.020 1 181 16 16 PHE HE2 H 7.186 0.020 1 182 16 16 PHE CA C 56.459 0.300 1 183 16 16 PHE CB C 43.168 0.300 1 184 16 16 PHE CD2 C 131.876 0.300 1 185 16 16 PHE CE2 C 129.932 0.300 1 186 16 16 PHE N N 125.323 0.300 1 187 17 17 SER H H 7.947 0.020 1 188 17 17 SER HA H 4.735 0.020 1 189 17 17 SER HB2 H 4.020 0.020 2 190 17 17 SER HB3 H 3.954 0.020 2 191 17 17 SER C C 173.229 0.300 1 192 17 17 SER CA C 56.562 0.300 1 193 17 17 SER CB C 61.367 0.300 1 194 18 18 ALA H H 7.949 0.020 1 195 18 18 ALA HA H 4.761 0.020 1 196 18 18 ALA HB H 1.209 0.020 1 197 18 18 ALA CA C 49.896 0.300 1 198 18 18 ALA CB C 21.660 0.300 1 199 18 18 ALA N N 125.814 0.300 1 200 19 19 PRO HA H 4.207 0.020 1 201 19 19 PRO HB2 H 3.003 0.020 2 202 19 19 PRO HB3 H 1.846 0.020 2 203 19 19 PRO HG2 H 1.438 0.020 1 204 19 19 PRO HG3 H 0.675 0.020 1 205 19 19 PRO HD2 H 2.903 0.020 2 206 19 19 PRO HD3 H 2.184 0.020 2 207 19 19 PRO CB C 30.123 0.300 1 208 19 19 PRO CG C 23.708 0.300 1 209 19 19 PRO CD C 48.226 0.300 1 210 20 20 ILE HA H 4.126 0.020 1 211 20 20 ILE HB H 2.066 0.020 1 212 20 20 ILE HG12 H 1.555 0.020 1 213 20 20 ILE HG13 H 1.555 0.020 1 214 20 20 ILE HG2 H 0.923 0.020 1 215 20 20 ILE HD1 H 0.920 0.020 1 216 20 20 ILE C C 176.100 0.300 1 217 20 20 ILE CA C 65.938 0.300 1 218 20 20 ILE CB C 38.128 0.300 1 219 20 20 ILE CG1 C 29.295 0.300 1 220 20 20 ILE CG2 C 15.341 0.300 1 221 20 20 ILE CD1 C 15.209 0.300 1 222 21 21 ASN H H 8.383 0.020 1 223 21 21 ASN HA H 4.134 0.020 1 224 21 21 ASN HB2 H 2.707 0.020 2 225 21 21 ASN HB3 H 2.599 0.020 2 226 21 21 ASN HD21 H 8.040 0.020 2 227 21 21 ASN HD22 H 6.916 0.020 2 228 21 21 ASN C C 176.966 0.300 1 229 21 21 ASN CA C 57.084 0.300 1 230 21 21 ASN CB C 37.791 0.300 1 231 21 21 ASN N N 117.362 0.300 1 232 21 21 ASN ND2 N 113.814 0.300 1 233 22 22 LYS H H 7.061 0.020 1 234 22 22 LYS HA H 4.057 0.020 1 235 22 22 LYS HB2 H 1.839 0.020 2 236 22 22 LYS HB3 H 1.743 0.020 2 237 22 22 LYS HG2 H 1.525 0.020 1 238 22 22 LYS HG3 H 1.382 0.020 1 239 22 22 LYS HD2 H 1.652 0.020 1 240 22 22 LYS HD3 H 1.652 0.020 1 241 22 22 LYS HE2 H 2.970 0.020 1 242 22 22 LYS HE3 H 2.970 0.020 1 243 22 22 LYS C C 178.502 0.300 1 244 22 22 LYS CA C 58.124 0.300 1 245 22 22 LYS CB C 32.308 0.300 1 246 22 22 LYS CG C 25.164 0.300 1 247 22 22 LYS CD C 28.729 0.300 1 248 22 22 LYS CE C 42.102 0.300 1 249 22 22 LYS N N 116.849 0.300 1 250 23 23 VAL H H 7.267 0.020 1 251 23 23 VAL HA H 3.324 0.020 1 252 23 23 VAL HB H 2.122 0.020 1 253 23 23 VAL HG1 H 0.992 0.020 1 254 23 23 VAL HG2 H 0.812 0.020 1 255 23 23 VAL C C 176.568 0.300 1 256 23 23 VAL CA C 66.543 0.300 1 257 23 23 VAL CB C 31.889 0.300 1 258 23 23 VAL CG1 C 22.279 0.300 1 259 23 23 VAL CG2 C 23.316 0.300 1 260 23 23 VAL N N 118.597 0.300 1 261 24 24 PHE H H 8.577 0.020 1 262 24 24 PHE HA H 3.394 0.020 1 263 24 24 PHE HB2 H 2.731 0.020 1 264 24 24 PHE HB3 H 2.479 0.020 1 265 24 24 PHE HD1 H 6.890 0.020 1 266 24 24 PHE HD2 H 6.890 0.020 1 267 24 24 PHE HE1 H 7.061 0.020 1 268 24 24 PHE HE2 H 7.061 0.020 1 269 24 24 PHE C C 180.612 0.300 1 270 24 24 PHE CA C 62.513 0.300 1 271 24 24 PHE CB C 39.528 0.300 1 272 24 24 PHE CD2 C 131.230 0.300 1 273 24 24 PHE CE2 C 131.414 0.300 1 274 24 24 PHE N N 119.434 0.300 1 275 25 25 ASP H H 8.342 0.020 1 276 25 25 ASP HA H 4.253 0.020 1 277 25 25 ASP HB2 H 2.818 0.020 1 278 25 25 ASP HB3 H 2.307 0.020 1 279 25 25 ASP C C 177.389 0.300 1 280 25 25 ASP CA C 56.935 0.300 1 281 25 25 ASP CB C 40.121 0.300 1 282 25 25 ASP N N 121.014 0.300 1 283 26 26 ALA H H 7.294 0.020 1 284 26 26 ALA HA H 4.136 0.020 1 285 26 26 ALA HB H 1.197 0.020 1 286 26 26 ALA C C 178.678 0.300 1 287 26 26 ALA CA C 54.561 0.300 1 288 26 26 ALA CB C 17.708 0.300 1 289 26 26 ALA N N 120.190 0.300 1 290 27 27 TYR H H 7.390 0.020 1 291 27 27 TYR HA H 4.602 0.020 1 292 27 27 TYR HB2 H 2.827 0.020 1 293 27 27 TYR HB3 H 2.722 0.020 1 294 27 27 TYR C C 176.979 0.300 1 295 27 27 TYR CA C 61.147 0.300 1 296 27 27 TYR CB C 41.662 0.300 1 297 27 27 TYR N N 113.400 0.300 1 298 28 28 THR H H 7.273 0.020 1 299 28 28 THR HA H 4.402 0.020 1 300 28 28 THR HB H 4.359 0.020 1 301 28 28 THR HG2 H 0.458 0.020 1 302 28 28 THR C C 173.639 0.300 1 303 28 28 THR CA C 61.726 0.300 1 304 28 28 THR CB C 71.285 0.300 1 305 28 28 THR CG2 C 22.119 0.300 1 306 28 28 THR N N 102.962 0.300 1 307 29 29 LYS H H 7.794 0.020 1 308 29 29 LYS HA H 4.868 0.020 1 309 29 29 LYS HB2 H 1.760 0.020 1 310 29 29 LYS HB3 H 1.760 0.020 1 311 29 29 LYS HG2 H 1.426 0.020 1 312 29 29 LYS HG3 H 1.426 0.020 1 313 29 29 LYS HD2 H 1.652 0.020 1 314 29 29 LYS HD3 H 1.652 0.020 1 315 29 29 LYS HE2 H 2.959 0.020 1 316 29 29 LYS HE3 H 2.959 0.020 1 317 29 29 LYS C C 176.393 0.300 1 318 29 29 LYS CA C 54.584 0.300 1 319 29 29 LYS CB C 32.901 0.300 1 320 29 29 LYS CG C 24.998 0.300 1 321 29 29 LYS CD C 28.861 0.300 1 322 29 29 LYS CE C 42.456 0.300 1 323 29 29 LYS N N 122.928 0.300 1 324 30 30 ARG H H 9.205 0.020 1 325 30 30 ARG HA H 2.348 0.020 1 326 30 30 ARG HB2 H 1.741 0.020 1 327 30 30 ARG HB3 H 1.543 0.020 1 328 30 30 ARG HG2 H 1.305 0.020 2 329 30 30 ARG HG3 H 1.091 0.020 2 330 30 30 ARG HD2 H 3.109 0.020 1 331 30 30 ARG HD3 H 3.109 0.020 1 332 30 30 ARG C C 175.631 0.300 1 333 30 30 ARG CA C 59.939 0.300 1 334 30 30 ARG CB C 30.665 0.300 1 335 30 30 ARG CG C 26.311 0.300 1 336 30 30 ARG CD C 43.803 0.300 1 337 30 30 ARG N N 129.338 0.300 1 338 31 31 GLU H H 9.677 0.020 1 339 31 31 GLU HA H 4.136 0.020 1 340 31 31 GLU HB2 H 1.976 0.020 1 341 31 31 GLU HB3 H 1.976 0.020 1 342 31 31 GLU HG2 H 2.295 0.020 2 343 31 31 GLU HG3 H 2.155 0.020 2 344 31 31 GLU C C 177.858 0.300 1 345 31 31 GLU CA C 58.688 0.300 1 346 31 31 GLU CB C 28.245 0.300 1 347 31 31 GLU CG C 35.891 0.300 1 348 31 31 GLU N N 113.981 0.300 1 349 32 32 LEU H H 7.144 0.020 1 350 32 32 LEU HA H 4.457 0.020 1 351 32 32 LEU HB2 H 2.129 0.020 1 352 32 32 LEU HB3 H 1.345 0.020 1 353 32 32 LEU HG H 1.569 0.020 1 354 32 32 LEU HD1 H 0.842 0.020 2 355 32 32 LEU HD2 H 0.802 0.020 2 356 32 32 LEU C C 177.096 0.300 1 357 32 32 LEU CA C 56.673 0.300 1 358 32 32 LEU CB C 43.101 0.300 1 359 32 32 LEU CG C 27.166 0.300 1 360 32 32 LEU CD1 C 23.438 0.300 1 361 32 32 LEU CD2 C 22.695 0.300 1 362 32 32 LEU N N 118.833 0.300 1 363 33 33 PHE H H 8.257 0.020 1 364 33 33 PHE HA H 3.883 0.020 1 365 33 33 PHE HB2 H 2.424 0.020 1 366 33 33 PHE HB3 H 2.022 0.020 1 367 33 33 PHE C C 176.568 0.300 1 368 33 33 PHE CA C 62.018 0.300 1 369 33 33 PHE CB C 40.694 0.300 1 370 33 33 PHE N N 124.207 0.300 1 371 34 34 GLU H H 8.096 0.020 1 372 34 34 GLU HA H 3.675 0.020 1 373 34 34 GLU HB2 H 2.041 0.020 2 374 34 34 GLU HB3 H 1.783 0.020 2 375 34 34 GLU HG2 H 2.328 0.020 2 376 34 34 GLU HG3 H 2.008 0.020 2 377 34 34 GLU C C 175.807 0.300 1 378 34 34 GLU CA C 56.902 0.300 1 379 34 34 GLU CB C 29.583 0.300 1 380 34 34 GLU CG C 35.300 0.300 1 381 34 34 GLU N N 111.517 0.300 1 382 35 35 GLN H H 7.733 0.020 1 383 35 35 GLN HA H 4.347 0.020 1 384 35 35 GLN HB2 H 2.287 0.020 1 385 35 35 GLN HB3 H 2.360 0.020 1 386 35 35 GLN HG2 H 2.287 0.020 1 387 35 35 GLN HG3 H 2.621 0.020 1 388 35 35 GLN HE21 H 7.701 0.020 1 389 35 35 GLN HE22 H 6.976 0.020 1 390 35 35 GLN C C 176.920 0.300 1 391 35 35 GLN CA C 57.084 0.300 1 392 35 35 GLN CB C 30.559 0.300 1 393 35 35 GLN CG C 34.721 0.300 1 394 35 35 GLN N N 115.163 0.300 1 395 35 35 GLN NE2 N 112.139 0.300 1 396 36 36 TRP H H 7.096 0.020 1 397 36 36 TRP HA H 4.752 0.020 1 398 36 36 TRP HB2 H 2.513 0.020 1 399 36 36 TRP HB3 H 3.181 0.020 1 400 36 36 TRP HD1 H 7.195 0.020 1 401 36 36 TRP HE1 H 9.860 0.020 1 402 36 36 TRP HE3 H 7.339 0.020 1 403 36 36 TRP HZ2 H 5.796 0.020 1 404 36 36 TRP HZ3 H 6.603 0.020 1 405 36 36 TRP HH2 H 6.837 0.020 1 406 36 36 TRP C C 174.166 0.300 1 407 36 36 TRP CA C 56.459 0.300 1 408 36 36 TRP CB C 31.555 0.300 1 409 36 36 TRP CD1 C 126.782 0.300 1 410 36 36 TRP CE3 C 121.752 0.300 1 411 36 36 TRP CZ2 C 113.001 0.300 1 412 36 36 TRP CZ3 C 121.637 0.300 1 413 36 36 TRP CH2 C 125.334 0.300 1 414 36 36 TRP N N 113.522 0.300 1 415 36 36 TRP NE1 N 129.507 0.300 1 416 37 37 PHE H H 6.648 0.020 1 417 37 37 PHE HA H 2.930 0.020 1 418 37 37 PHE HB2 H 1.265 0.020 2 419 37 37 PHE HB3 H -0.212 0.020 2 420 37 37 PHE HD1 H 5.756 0.020 1 421 37 37 PHE HD2 H 5.756 0.020 1 422 37 37 PHE HE1 H 7.100 0.020 1 423 37 37 PHE HE2 H 7.100 0.020 1 424 37 37 PHE HZ H 7.119 0.020 1 425 37 37 PHE C C 170.943 0.300 1 426 37 37 PHE CA C 59.339 0.300 1 427 37 37 PHE CB C 35.208 0.300 1 428 37 37 PHE CD1 C 133.329 0.300 1 429 37 37 PHE CE1 C 129.511 0.300 1 430 37 37 PHE CZ C 127.683 0.300 1 431 37 37 PHE N N 124.184 0.300 1 432 38 38 HIS H H 7.502 0.020 1 433 38 38 HIS HA H 4.349 0.020 1 434 38 38 HIS HB2 H 3.152 0.020 2 435 38 38 HIS HB3 H 3.082 0.020 2 436 38 38 HIS HD2 H 6.402 0.020 1 437 38 38 HIS CA C 52.744 0.300 1 438 38 38 HIS CB C 28.096 0.300 1 439 38 38 HIS CD2 C 121.406 0.300 1 440 38 38 HIS N N 115.781 0.300 1 441 39 39 PRO HA H 4.563 0.020 1 442 39 39 PRO HB2 H 2.310 0.020 1 443 39 39 PRO HB3 H 1.962 0.020 1 444 39 39 PRO HG2 H 1.845 0.020 1 445 39 39 PRO HG3 H 1.845 0.020 1 446 39 39 PRO HD2 H 3.547 0.020 2 447 39 39 PRO HD3 H 3.164 0.020 2 448 39 39 PRO CA C 62.811 0.300 1 449 39 39 PRO CB C 32.293 0.300 1 450 39 39 PRO CG C 27.240 0.300 1 451 39 39 PRO CD C 50.157 0.300 1 452 40 40 GLN HE21 H 7.414 0.020 2 453 40 40 GLN HE22 H 7.125 0.020 2 454 40 40 GLN NE2 N 110.672 0.300 1 455 41 41 ASP HA H 4.428 0.020 1 456 41 41 ASP HB2 H 2.939 0.020 2 457 41 41 ASP HB3 H 2.798 0.020 2 458 41 41 ASP C C 173.814 0.300 1 459 41 41 ASP CA C 55.249 0.300 1 460 41 41 ASP CB C 39.349 0.300 1 461 42 42 ALA H H 7.553 0.020 1 462 42 42 ALA HA H 4.993 0.020 1 463 42 42 ALA HB H 1.251 0.020 1 464 42 42 ALA C C 175.221 0.300 1 465 42 42 ALA CA C 50.426 0.300 1 466 42 42 ALA CB C 23.464 0.300 1 467 42 42 ALA N N 120.465 0.300 1 468 43 43 SER H H 8.319 0.020 1 469 43 43 SER HA H 4.161 0.020 1 470 43 43 SER HB2 H 3.668 0.020 2 471 43 43 SER HB3 H 3.556 0.020 2 472 43 43 SER CA C 56.384 0.300 1 473 43 43 SER CB C 66.057 0.300 1 474 43 43 SER N N 112.584 0.300 1 475 44 44 VAL H H 8.493 0.020 1 476 44 44 VAL HA H 5.432 0.020 1 477 44 44 VAL HB H 1.982 0.020 1 478 44 44 VAL HG1 H 0.681 0.020 1 479 44 44 VAL HG2 H 0.832 0.020 1 480 44 44 VAL C C 174.107 0.300 1 481 44 44 VAL CA C 58.796 0.300 1 482 44 44 VAL CB C 35.346 0.300 1 483 44 44 VAL CG1 C 20.323 0.300 1 484 44 44 VAL CG2 C 22.511 0.300 1 485 44 44 VAL N N 121.318 0.300 1 486 45 45 THR H H 8.834 0.020 1 487 45 45 THR HA H 4.261 0.020 1 488 45 45 THR HB H 3.604 0.020 1 489 45 45 THR HG2 H 0.698 0.020 1 490 45 45 THR C C 172.584 0.300 1 491 45 45 THR CA C 61.728 0.300 1 492 45 45 THR CB C 71.014 0.300 1 493 45 45 THR CG2 C 21.511 0.300 1 494 45 45 THR N N 124.091 0.300 1 495 46 46 VAL H H 9.238 0.020 1 496 46 46 VAL HA H 3.959 0.020 1 497 46 46 VAL HB H 2.019 0.020 1 498 46 46 VAL HG1 H 0.863 0.020 1 499 46 46 VAL HG2 H 0.858 0.020 1 500 46 46 VAL C C 174.518 0.300 1 501 46 46 VAL CA C 62.202 0.300 1 502 46 46 VAL CB C 32.297 0.300 1 503 46 46 VAL CG1 C 22.761 0.300 1 504 46 46 VAL CG2 C 22.804 0.300 1 505 46 46 VAL N N 127.237 0.300 1 506 47 47 TYR H H 8.671 0.020 1 507 47 47 TYR HA H 4.611 0.020 1 508 47 47 TYR HB2 H 3.259 0.020 2 509 47 47 TYR HB3 H 2.606 0.020 2 510 47 47 TYR HD1 H 6.325 0.020 1 511 47 47 TYR HD2 H 6.325 0.020 1 512 47 47 TYR HE1 H 6.576 0.020 1 513 47 47 TYR HE2 H 6.576 0.020 1 514 47 47 TYR C C 175.982 0.300 1 515 47 47 TYR CA C 59.271 0.300 1 516 47 47 TYR CB C 39.372 0.300 1 517 47 47 TYR CD2 C 132.209 0.300 1 518 47 47 TYR CE2 C 117.799 0.300 1 519 47 47 TYR N N 127.754 0.300 1 520 48 48 ASP H H 8.255 0.020 1 521 48 48 ASP HA H 4.954 0.020 1 522 48 48 ASP HB2 H 2.798 0.020 1 523 48 48 ASP HB3 H 2.798 0.020 1 524 48 48 ASP CA C 54.182 0.300 1 525 48 48 ASP CB C 45.005 0.300 1 526 48 48 ASP N N 117.880 0.300 1 527 49 49 PHE HA H 4.375 0.020 1 528 49 49 PHE HB2 H 2.956 0.020 2 529 49 49 PHE HB3 H 2.681 0.020 2 530 49 49 PHE HD1 H 6.708 0.020 1 531 49 49 PHE HD2 H 6.708 0.020 1 532 49 49 PHE HE1 H 6.386 0.020 1 533 49 49 PHE HE2 H 6.386 0.020 1 534 49 49 PHE C C 172.525 0.300 1 535 49 49 PHE CA C 60.469 0.300 1 536 49 49 PHE CB C 42.437 0.300 1 537 49 49 PHE CD2 C 129.792 0.300 1 538 49 49 PHE CE2 C 130.894 0.300 1 539 50 50 ASN H H 8.000 0.020 1 540 50 50 ASN HA H 4.594 0.020 1 541 50 50 ASN HB2 H 2.945 0.020 2 542 50 50 ASN HB3 H 2.869 0.020 2 543 50 50 ASN HD21 H 7.866 0.020 2 544 50 50 ASN HD22 H 6.835 0.020 2 545 50 50 ASN C C 172.408 0.300 1 546 50 50 ASN CA C 52.114 0.300 1 547 50 50 ASN CB C 38.414 0.300 1 548 50 50 ASN N N 129.051 0.300 1 549 50 50 ASN ND2 N 112.641 0.300 1 550 51 51 ALA H H 7.746 0.020 1 551 51 51 ALA HA H 2.706 0.020 1 552 51 51 ALA HB H 0.302 0.020 1 553 51 51 ALA C C 173.639 0.300 1 554 51 51 ALA CA C 50.434 0.300 1 555 51 51 ALA CB C 16.270 0.300 1 556 51 51 ALA N N 127.474 0.300 1 557 52 52 THR H H 7.144 0.020 1 558 52 52 THR HA H 4.139 0.020 1 559 52 52 THR HB H 3.926 0.020 1 560 52 52 THR HG2 H 0.953 0.020 1 561 52 52 THR C C 172.818 0.300 1 562 52 52 THR CA C 59.078 0.300 1 563 52 52 THR CB C 71.445 0.300 1 564 52 52 THR CG2 C 20.380 0.300 1 565 52 52 THR N N 113.694 0.300 1 566 53 53 LYS H H 8.717 0.020 1 567 53 53 LYS HA H 3.511 0.020 1 568 53 53 LYS HB2 H 1.946 0.020 2 569 53 53 LYS HB3 H 1.858 0.020 2 570 53 53 LYS HG2 H 1.265 0.020 1 571 53 53 LYS HG3 H 1.265 0.020 1 572 53 53 LYS HD2 H 1.603 0.020 1 573 53 53 LYS HD3 H 1.603 0.020 1 574 53 53 LYS HE2 H 2.881 0.020 1 575 53 53 LYS HE3 H 2.881 0.020 1 576 53 53 LYS C C 177.623 0.300 1 577 53 53 LYS CA C 59.941 0.300 1 578 53 53 LYS CB C 32.323 0.300 1 579 53 53 LYS CG C 24.543 0.300 1 580 53 53 LYS CD C 29.311 0.300 1 581 53 53 LYS CE C 41.937 0.300 1 582 53 53 LYS N N 124.436 0.300 1 583 54 54 GLY H H 8.278 0.020 1 584 54 54 GLY HA2 H 4.322 0.020 2 585 54 54 GLY HA3 H 3.979 0.020 2 586 54 54 GLY C C 174.693 0.300 1 587 54 54 GLY CA C 45.964 0.300 1 588 54 54 GLY N N 116.939 0.300 1 589 55 55 GLY H H 8.849 0.020 1 590 55 55 GLY HA2 H 4.306 0.020 1 591 55 55 GLY HA3 H 4.463 0.020 1 592 55 55 GLY C C 173.287 0.300 1 593 55 55 GLY CA C 44.068 0.300 1 594 55 55 GLY N N 110.569 0.300 1 595 56 56 SER H H 7.801 0.020 1 596 56 56 SER HA H 5.728 0.020 1 597 56 56 SER HB2 H 3.970 0.020 1 598 56 56 SER HB3 H 3.970 0.020 1 599 56 56 SER C C 172.936 0.300 1 600 56 56 SER CA C 57.070 0.300 1 601 56 56 SER CB C 66.506 0.300 1 602 56 56 SER N N 112.443 0.300 1 603 57 57 ALA H H 9.239 0.020 1 604 57 57 ALA HA H 4.835 0.020 1 605 57 57 ALA HB H 1.367 0.020 1 606 57 57 ALA C C 175.045 0.300 1 607 57 57 ALA CA C 50.834 0.300 1 608 57 57 ALA CB C 24.022 0.300 1 609 57 57 ALA N N 122.324 0.300 1 610 58 58 PHE H H 8.897 0.020 1 611 58 58 PHE HA H 6.212 0.020 1 612 58 58 PHE HB2 H 3.538 0.020 2 613 58 58 PHE HB3 H 3.105 0.020 2 614 58 58 PHE HD1 H 7.487 0.020 1 615 58 58 PHE HD2 H 7.487 0.020 1 616 58 58 PHE HE1 H 6.991 0.020 1 617 58 58 PHE HE2 H 6.991 0.020 1 618 58 58 PHE C C 174.225 0.300 1 619 58 58 PHE CA C 54.608 0.300 1 620 58 58 PHE CB C 41.925 0.300 1 621 58 58 PHE CD1 C 131.822 0.300 1 622 58 58 PHE CE1 C 130.592 0.300 1 623 58 58 PHE CZ C 129.276 0.300 1 624 58 58 PHE N N 120.968 0.300 1 625 59 59 TYR H H 8.876 0.020 1 626 59 59 TYR HA H 5.160 0.020 1 627 59 59 TYR HB2 H 2.989 0.020 1 628 59 59 TYR HB3 H 2.989 0.020 1 629 59 59 TYR HD1 H 6.716 0.020 1 630 59 59 TYR HD2 H 6.716 0.020 1 631 59 59 TYR HE1 H 6.699 0.020 1 632 59 59 TYR HE2 H 6.699 0.020 1 633 59 59 TYR C C 170.943 0.300 1 634 59 59 TYR CA C 55.701 0.300 1 635 59 59 TYR CB C 42.083 0.300 1 636 59 59 TYR CD2 C 132.761 0.300 1 637 59 59 TYR CE2 C 117.393 0.300 1 638 59 59 TYR N N 125.648 0.300 1 639 60 60 ALA H H 8.999 0.020 1 640 60 60 ALA HA H 5.329 0.020 1 641 60 60 ALA HB H 1.134 0.020 1 642 60 60 ALA C C 176.861 0.300 1 643 60 60 ALA CA C 49.754 0.300 1 644 60 60 ALA CB C 23.915 0.300 1 645 60 60 ALA N N 121.024 0.300 1 646 61 61 ILE H H 8.725 0.020 1 647 61 61 ILE HA H 4.860 0.020 1 648 61 61 ILE HB H 1.829 0.020 1 649 61 61 ILE HG12 H 1.723 0.020 1 650 61 61 ILE HG13 H 1.363 0.020 1 651 61 61 ILE HG2 H 0.760 0.020 1 652 61 61 ILE HD1 H 0.940 0.020 1 653 61 61 ILE C C 175.455 0.300 1 654 61 61 ILE CA C 59.271 0.300 1 655 61 61 ILE CB C 38.453 0.300 1 656 61 61 ILE CG1 C 27.624 0.300 1 657 61 61 ILE CG2 C 18.043 0.300 1 658 61 61 ILE CD1 C 12.838 0.300 1 659 61 61 ILE N N 121.925 0.300 1 660 62 62 GLN H H 8.821 0.020 1 661 62 62 GLN HA H 4.744 0.020 1 662 62 62 GLN HB2 H 1.824 0.020 1 663 62 62 GLN HB3 H 1.982 0.020 1 664 62 62 GLN HG2 H 2.138 0.020 2 665 62 62 GLN HG3 H 2.072 0.020 2 666 62 62 GLN HE21 H 7.356 0.020 2 667 62 62 GLN HE22 H 6.725 0.020 2 668 62 62 GLN C C 173.463 0.300 1 669 62 62 GLN CA C 54.896 0.300 1 670 62 62 GLN CB C 29.936 0.300 1 671 62 62 GLN CG C 34.090 0.300 1 672 62 62 GLN N N 127.574 0.300 1 673 62 62 GLN NE2 N 111.620 0.300 1 674 63 63 ALA H H 8.698 0.020 1 675 63 63 ALA HA H 4.840 0.020 1 676 63 63 ALA HB H 1.501 0.020 1 677 63 63 ALA CA C 49.896 0.300 1 678 63 63 ALA CB C 19.789 0.300 1 679 63 63 ALA N N 131.193 0.300 1 680 64 64 PRO HA H 4.205 0.020 1 681 64 64 PRO HB2 H 2.370 0.020 2 682 64 64 PRO HB3 H 1.858 0.020 2 683 64 64 PRO HG2 H 2.000 0.020 1 684 64 64 PRO HG3 H 2.200 0.020 1 685 64 64 PRO HD2 H 3.841 0.020 2 686 64 64 PRO HD3 H 3.697 0.020 2 687 64 64 PRO C C 177.858 0.300 1 688 64 64 PRO CA C 66.258 0.300 1 689 64 64 PRO CB C 31.775 0.300 1 690 64 64 PRO CG C 28.275 0.300 1 691 64 64 PRO CD C 50.502 0.300 1 692 65 65 GLN H H 8.500 0.020 1 693 65 65 GLN HA H 4.353 0.020 1 694 65 65 GLN HB2 H 2.294 0.020 2 695 65 65 GLN HB3 H 2.049 0.020 2 696 65 65 GLN HG2 H 2.511 0.020 2 697 65 65 GLN HG3 H 2.444 0.020 2 698 65 65 GLN HE21 H 7.469 0.020 2 699 65 65 GLN HE22 H 6.904 0.020 2 700 65 65 GLN C C 175.397 0.300 1 701 65 65 GLN CA C 55.834 0.300 1 702 65 65 GLN CB C 28.840 0.300 1 703 65 65 GLN CG C 34.191 0.300 1 704 65 65 GLN N N 112.376 0.300 1 705 65 65 GLN NE2 N 111.766 0.300 1 706 66 66 MET H H 7.475 0.020 1 707 66 66 MET HA H 4.702 0.020 1 708 66 66 MET HB2 H 1.999 0.020 1 709 66 66 MET HB3 H 1.999 0.020 1 710 66 66 MET HG2 H 2.418 0.020 1 711 66 66 MET HG3 H 2.418 0.020 1 712 66 66 MET HE H 2.051 0.020 1 713 66 66 MET C C 172.936 0.300 1 714 66 66 MET CA C 55.834 0.300 1 715 66 66 MET CB C 35.296 0.300 1 716 66 66 MET CG C 31.069 0.300 1 717 66 66 MET CE C 17.177 0.300 1 718 66 66 MET N N 117.379 0.300 1 719 67 67 ILE H H 8.330 0.020 1 720 67 67 ILE HA H 5.018 0.020 1 721 67 67 ILE HB H 1.675 0.020 1 722 67 67 ILE HG12 H 1.445 0.020 1 723 67 67 ILE HG13 H 1.445 0.020 1 724 67 67 ILE HG2 H 0.690 0.020 1 725 67 67 ILE HD1 H 0.834 0.020 1 726 67 67 ILE C C 174.283 0.300 1 727 67 67 ILE CA C 60.209 0.300 1 728 67 67 ILE CB C 40.652 0.300 1 729 67 67 ILE CG1 C 28.850 0.300 1 730 67 67 ILE CG2 C 16.674 0.300 1 731 67 67 ILE CD1 C 13.989 0.300 1 732 67 67 ILE N N 124.019 0.300 1 733 68 68 SER H H 8.537 0.020 1 734 68 68 SER HA H 4.785 0.020 1 735 68 68 SER HB2 H 3.812 0.020 1 736 68 68 SER HB3 H 3.812 0.020 1 737 68 68 SER C C 172.350 0.300 1 738 68 68 SER CA C 56.459 0.300 1 739 68 68 SER CB C 65.640 0.300 1 740 68 68 SER N N 121.891 0.300 1 741 69 69 TYR H H 8.967 0.020 1 742 69 69 TYR HA H 5.203 0.020 1 743 69 69 TYR HB2 H 2.947 0.020 1 744 69 69 TYR HB3 H 2.867 0.020 1 745 69 69 TYR HD1 H 7.056 0.020 1 746 69 69 TYR HD2 H 7.056 0.020 1 747 69 69 TYR HE1 H 6.809 0.020 1 748 69 69 TYR HE2 H 6.809 0.020 1 749 69 69 TYR C C 175.338 0.300 1 750 69 69 TYR CA C 57.682 0.300 1 751 69 69 TYR CB C 40.902 0.300 1 752 69 69 TYR CD1 C 133.264 0.300 1 753 69 69 TYR CE1 C 117.984 0.300 1 754 69 69 TYR N N 123.601 0.300 1 755 70 70 THR H H 8.972 0.020 1 756 70 70 THR HA H 4.993 0.020 1 757 70 70 THR HB H 2.549 0.020 1 758 70 70 THR HG2 H 1.025 0.020 1 759 70 70 THR C C 173.170 0.300 1 760 70 70 THR CA C 62.111 0.300 1 761 70 70 THR CB C 73.407 0.300 1 762 70 70 THR CG2 C 21.547 0.300 1 763 70 70 THR N N 121.569 0.300 1 764 71 71 ILE H H 8.533 0.020 1 765 71 71 ILE HA H 5.251 0.020 1 766 71 71 ILE HB H 1.392 0.020 1 767 71 71 ILE HG12 H 1.032 0.020 1 768 71 71 ILE HG13 H 1.032 0.020 1 769 71 71 ILE HG2 H 0.853 0.020 1 770 71 71 ILE HD1 H 0.421 0.020 1 771 71 71 ILE C C 173.580 0.300 1 772 71 71 ILE CA C 59.330 0.300 1 773 71 71 ILE CB C 42.389 0.300 1 774 71 71 ILE CG1 C 28.726 0.300 1 775 71 71 ILE CG2 C 17.020 0.300 1 776 71 71 ILE CD1 C 14.005 0.300 1 777 71 71 ILE N N 124.806 0.300 1 778 72 72 ALA H H 9.040 0.020 1 779 72 72 ALA HA H 5.954 0.020 1 780 72 72 ALA HB H 0.959 0.020 1 781 72 72 ALA C C 177.330 0.300 1 782 72 72 ALA CA C 49.048 0.300 1 783 72 72 ALA CB C 21.994 0.300 1 784 72 72 ALA N N 130.380 0.300 1 785 73 73 GLU H H 9.205 0.020 1 786 73 73 GLU HA H 4.744 0.020 1 787 73 73 GLU HB2 H 2.036 0.020 1 788 73 73 GLU HB3 H 2.126 0.020 1 789 73 73 GLU HG2 H 2.176 0.020 1 790 73 73 GLU HG3 H 2.297 0.020 1 791 73 73 GLU C C 175.748 0.300 1 792 73 73 GLU CA C 54.584 0.300 1 793 73 73 GLU CB C 32.246 0.300 1 794 73 73 GLU CG C 36.181 0.300 1 795 73 73 GLU N N 121.022 0.300 1 796 74 74 TYR H H 8.254 0.020 1 797 74 74 TYR HA H 4.253 0.020 1 798 74 74 TYR HB2 H 2.993 0.020 1 799 74 74 TYR HB3 H 2.266 0.020 1 800 74 74 TYR HD1 H 6.484 0.020 1 801 74 74 TYR HD2 H 6.484 0.020 1 802 74 74 TYR HE1 H 5.906 0.020 1 803 74 74 TYR HE2 H 5.906 0.020 1 804 74 74 TYR C C 176.393 0.300 1 805 74 74 TYR CA C 59.924 0.300 1 806 74 74 TYR CB C 39.648 0.300 1 807 74 74 TYR CD1 C 131.984 0.300 1 808 74 74 TYR CE1 C 116.811 0.300 1 809 74 74 TYR N N 122.074 0.300 1 810 75 75 LEU H H 9.279 0.020 1 811 75 75 LEU HA H 4.549 0.020 1 812 75 75 LEU HB2 H 1.668 0.020 2 813 75 75 LEU HB3 H 1.560 0.020 2 814 75 75 LEU HG H 1.720 0.020 1 815 75 75 LEU C C 177.740 0.300 1 816 75 75 LEU CA C 55.756 0.300 1 817 75 75 LEU CB C 42.951 0.300 1 818 75 75 LEU CG C 29.089 0.300 1 819 75 75 LEU N N 127.754 0.300 1 820 76 76 GLN H H 7.990 0.020 1 821 76 76 GLN HA H 4.594 0.020 1 822 76 76 GLN HB2 H 2.290 0.020 1 823 76 76 GLN HB3 H 2.103 0.020 1 824 76 76 GLN HG2 H 1.983 0.020 2 825 76 76 GLN HG3 H 1.862 0.020 2 826 76 76 GLN HE21 H 7.414 0.020 2 827 76 76 GLN HE22 H 6.978 0.020 2 828 76 76 GLN C C 174.811 0.300 1 829 76 76 GLN CA C 55.834 0.300 1 830 76 76 GLN CB C 32.346 0.300 1 831 76 76 GLN CG C 33.470 0.300 1 832 76 76 GLN N N 114.500 0.300 1 833 76 76 GLN NE2 N 110.250 0.300 1 834 77 77 VAL H H 8.808 0.020 1 835 77 77 VAL HA H 4.557 0.020 1 836 77 77 VAL HB H 2.091 0.020 1 837 77 77 VAL HG1 H 1.043 0.020 1 838 77 77 VAL HG2 H 0.596 0.020 1 839 77 77 VAL C C 173.639 0.300 1 840 77 77 VAL CA C 63.641 0.300 1 841 77 77 VAL CB C 35.609 0.300 1 842 77 77 VAL CG1 C 21.491 0.300 1 843 77 77 VAL CG2 C 21.086 0.300 1 844 77 77 VAL N N 124.107 0.300 1 845 78 78 ASP H H 9.562 0.020 1 846 78 78 ASP HA H 5.243 0.020 1 847 78 78 ASP HB2 H 2.872 0.020 2 848 78 78 ASP HB3 H 2.755 0.020 2 849 78 78 ASP C C 174.518 0.300 1 850 78 78 ASP CA C 52.435 0.300 1 851 78 78 ASP CB C 42.459 0.300 1 852 78 78 ASP N N 130.578 0.300 1 853 79 79 ALA H H 8.828 0.020 1 854 79 79 ALA HA H 3.314 0.020 1 855 79 79 ALA HB H 0.978 0.020 1 856 79 79 ALA CA C 50.720 0.300 1 857 79 79 ALA CB C 19.583 0.300 1 858 79 79 ALA N N 127.370 0.300 1 859 80 80 PRO HA H 2.024 0.020 1 860 80 80 PRO HB2 H 1.075 0.020 1 861 80 80 PRO HB3 H 1.853 0.020 1 862 80 80 PRO HG2 H 2.216 0.020 1 863 80 80 PRO HG3 H 2.216 0.020 1 864 80 80 PRO HD2 H 4.023 0.020 1 865 80 80 PRO HD3 H 3.892 0.020 1 866 80 80 PRO C C 170.885 0.300 1 867 80 80 PRO CA C 63.507 0.300 1 868 80 80 PRO CB C 30.305 0.300 1 869 80 80 PRO CG C 28.320 0.300 1 870 80 80 PRO CD C 50.892 0.300 1 871 81 81 TYR H H 7.575 0.020 1 872 81 81 TYR HA H 5.234 0.020 1 873 81 81 TYR HB2 H 2.947 0.020 1 874 81 81 TYR HB3 H 2.947 0.020 1 875 81 81 TYR HD1 H 7.118 0.020 1 876 81 81 TYR HD2 H 7.118 0.020 1 877 81 81 TYR HE1 H 6.739 0.020 1 878 81 81 TYR HE2 H 6.739 0.020 1 879 81 81 TYR C C 178.268 0.300 1 880 81 81 TYR CA C 59.390 0.300 1 881 81 81 TYR CB C 42.083 0.300 1 882 81 81 TYR CD1 C 132.870 0.300 1 883 81 81 TYR CE1 C 118.409 0.300 1 884 81 81 TYR N N 113.040 0.300 1 885 82 82 TYR H H 8.375 0.020 1 886 82 82 TYR HA H 6.124 0.020 1 887 82 82 TYR HB2 H 3.238 0.020 2 888 82 82 TYR HB3 H 2.897 0.020 2 889 82 82 TYR HD1 H 7.204 0.020 1 890 82 82 TYR HD2 H 7.204 0.020 1 891 82 82 TYR HE1 H 6.745 0.020 1 892 82 82 TYR HE2 H 6.745 0.020 1 893 82 82 TYR C C 173.639 0.300 1 894 82 82 TYR CA C 58.265 0.300 1 895 82 82 TYR CB C 43.765 0.300 1 896 82 82 TYR CD1 C 132.804 0.300 1 897 82 82 TYR CE1 C 118.006 0.300 1 898 82 82 TYR N N 123.692 0.300 1 899 83 83 ILE H H 8.616 0.020 1 900 83 83 ILE HA H 4.569 0.020 1 901 83 83 ILE HB H 1.686 0.020 1 902 83 83 ILE HG12 H 1.862 0.020 2 903 83 83 ILE HG13 H 0.968 0.020 2 904 83 83 ILE HG2 H 1.131 0.020 1 905 83 83 ILE HD1 H 0.419 0.020 1 906 83 83 ILE C C 172.467 0.300 1 907 83 83 ILE CA C 60.742 0.300 1 908 83 83 ILE CB C 43.168 0.300 1 909 83 83 ILE CG1 C 29.451 0.300 1 910 83 83 ILE CG2 C 18.265 0.300 1 911 83 83 ILE CD1 C 14.346 0.300 1 912 83 83 ILE N N 127.231 0.300 1 913 84 84 GLU H H 8.917 0.020 1 914 84 84 GLU HA H 5.099 0.020 1 915 84 84 GLU HB2 H 1.849 0.020 1 916 84 84 GLU HB3 H 1.849 0.020 1 917 84 84 GLU HG2 H 1.974 0.020 1 918 84 84 GLU HG3 H 1.974 0.020 1 919 84 84 GLU C C 175.045 0.300 1 920 84 84 GLU CA C 54.202 0.300 1 921 84 84 GLU CB C 33.527 0.300 1 922 84 84 GLU CG C 35.965 0.300 1 923 84 84 GLU N N 127.774 0.300 1 924 85 85 TYR H H 9.380 0.020 1 925 85 85 TYR HA H 5.193 0.020 1 926 85 85 TYR HB2 H 2.425 0.020 1 927 85 85 TYR HB3 H 2.119 0.020 1 928 85 85 TYR HD1 H 6.446 0.020 1 929 85 85 TYR HD2 H 6.446 0.020 1 930 85 85 TYR HE1 H 6.619 0.020 1 931 85 85 TYR HE2 H 6.619 0.020 1 932 85 85 TYR C C 170.299 0.300 1 933 85 85 TYR CA C 56.146 0.300 1 934 85 85 TYR CB C 41.345 0.300 1 935 85 85 TYR CD2 C 133.166 0.300 1 936 85 85 TYR CE2 C 117.523 0.300 1 937 85 85 TYR N N 125.865 0.300 1 938 86 86 LEU H H 8.602 0.020 1 939 86 86 LEU HA H 4.960 0.020 1 940 86 86 LEU HB2 H 1.689 0.020 1 941 86 86 LEU HB3 H 0.956 0.020 1 942 86 86 LEU HG H 1.564 0.020 1 943 86 86 LEU HD1 H 1.050 0.020 1 944 86 86 LEU HD2 H 0.763 0.020 1 945 86 86 LEU C C 175.338 0.300 1 946 86 86 LEU CA C 52.709 0.300 1 947 86 86 LEU CB C 46.419 0.300 1 948 86 86 LEU CG C 27.433 0.300 1 949 86 86 LEU CD1 C 26.286 0.300 1 950 86 86 LEU CD2 C 24.315 0.300 1 951 86 86 LEU N N 118.364 0.300 1 952 87 87 ASP H H 8.513 0.020 1 953 87 87 ASP HA H 5.332 0.020 1 954 87 87 ASP HB2 H 2.432 0.020 2 955 87 87 ASP HB3 H 2.282 0.020 2 956 87 87 ASP C C 176.217 0.300 1 957 87 87 ASP CA C 53.316 0.300 1 958 87 87 ASP CB C 44.291 0.300 1 959 87 87 ASP N N 122.614 0.300 1 960 88 88 TYR H H 9.534 0.020 1 961 88 88 TYR HA H 4.893 0.020 1 962 88 88 TYR HB2 H 2.831 0.020 1 963 88 88 TYR HB3 H 3.158 0.020 1 964 88 88 TYR HD1 H 7.260 0.020 1 965 88 88 TYR HD2 H 7.260 0.020 1 966 88 88 TYR HE1 H 6.749 0.020 1 967 88 88 TYR HE2 H 6.749 0.020 1 968 88 88 TYR C C 176.920 0.300 1 969 88 88 TYR CA C 57.084 0.300 1 970 88 88 TYR CB C 40.668 0.300 1 971 88 88 TYR CD2 C 133.486 0.300 1 972 88 88 TYR CE2 C 118.326 0.300 1 973 88 88 TYR N N 122.545 0.300 1 974 89 89 PHE H H 9.034 0.020 1 975 89 89 PHE HA H 4.844 0.020 1 976 89 89 PHE HB2 H 3.380 0.020 2 977 89 89 PHE HB3 H 3.205 0.020 2 978 89 89 PHE HD1 H 7.573 0.020 1 979 89 89 PHE HD2 H 7.573 0.020 1 980 89 89 PHE HE1 H 7.564 0.020 1 981 89 89 PHE HE2 H 7.564 0.020 1 982 89 89 PHE C C 175.807 0.300 1 983 89 89 PHE CA C 59.271 0.300 1 984 89 89 PHE CB C 39.799 0.300 1 985 89 89 PHE CD2 C 131.986 0.300 1 986 89 89 PHE CE2 C 131.860 0.300 1 987 89 89 PHE N N 122.992 0.300 1 988 90 90 ALA H H 8.185 0.020 1 989 90 90 ALA HA H 5.459 0.020 1 990 90 90 ALA HB H 1.223 0.020 1 991 90 90 ALA C C 176.568 0.300 1 992 90 90 ALA CA C 49.986 0.300 1 993 90 90 ALA CB C 24.270 0.300 1 994 90 90 ALA N N 125.857 0.300 1 995 91 91 THR H H 8.445 0.020 1 996 91 91 THR HA H 4.702 0.020 1 997 91 91 THR HB H 4.606 0.020 1 998 91 91 THR HG2 H 1.213 0.020 1 999 91 91 THR C C 176.158 0.300 1 1000 91 91 THR CA C 59.271 0.300 1 1001 91 91 THR CB C 72.521 0.300 1 1002 91 91 THR CG2 C 21.074 0.300 1 1003 91 91 THR N N 109.761 0.300 1 1004 92 92 SER H H 8.621 0.020 1 1005 92 92 SER HA H 2.506 0.020 1 1006 92 92 SER HB2 H 3.715 0.020 2 1007 92 92 SER HB3 H 3.547 0.020 2 1008 92 92 SER C C 174.811 0.300 1 1009 92 92 SER CA C 59.997 0.300 1 1010 92 92 SER CB C 62.891 0.300 1 1011 92 92 SER N N 114.666 0.300 1 1012 93 93 LYS H H 7.096 0.020 1 1013 93 93 LYS HA H 4.237 0.020 1 1014 93 93 LYS HB2 H 1.849 0.020 2 1015 93 93 LYS HB3 H 1.367 0.020 2 1016 93 93 LYS HG2 H 1.343 0.020 2 1017 93 93 LYS HG3 H 1.261 0.020 2 1018 93 93 LYS HD2 H 1.549 0.020 1 1019 93 93 LYS HD3 H 1.549 0.020 1 1020 93 93 LYS HE2 H 2.886 0.020 1 1021 93 93 LYS HE3 H 2.886 0.020 1 1022 93 93 LYS C C 176.803 0.300 1 1023 93 93 LYS CA C 55.124 0.300 1 1024 93 93 LYS CB C 32.350 0.300 1 1025 93 93 LYS CG C 24.961 0.300 1 1026 93 93 LYS CD C 28.574 0.300 1 1027 93 93 LYS CE C 41.994 0.300 1 1028 93 93 LYS N N 118.412 0.300 1 1029 94 94 GLY H H 7.863 0.020 1 1030 94 94 GLY HA2 H 3.047 0.020 1 1031 94 94 GLY HA3 H 2.149 0.020 1 1032 94 94 GLY C C 173.229 0.300 1 1033 94 94 GLY CA C 45.315 0.300 1 1034 94 94 GLY N N 109.294 0.300 1 1035 95 95 GLU H H 6.657 0.020 1 1036 95 95 GLU HA H 4.277 0.020 1 1037 95 95 GLU HB2 H 1.741 0.020 1 1038 95 95 GLU HB3 H 1.883 0.020 1 1039 95 95 GLU HG2 H 1.976 0.020 2 1040 95 95 GLU HG3 H 1.840 0.020 2 1041 95 95 GLU C C 175.807 0.300 1 1042 95 95 GLU CA C 53.924 0.300 1 1043 95 95 GLU CB C 31.124 0.300 1 1044 95 95 GLU CG C 35.937 0.300 1 1045 95 95 GLU N N 116.455 0.300 1 1046 96 96 LYS H H 8.512 0.020 1 1047 96 96 LYS HA H 4.051 0.020 1 1048 96 96 LYS HB2 H 1.434 0.020 1 1049 96 96 LYS HB3 H 1.434 0.020 1 1050 96 96 LYS HG2 H 1.163 0.020 1 1051 96 96 LYS HG3 H 0.795 0.020 1 1052 96 96 LYS HD2 H 0.831 0.020 1 1053 96 96 LYS HD3 H 0.771 0.020 1 1054 96 96 LYS HE2 H 1.950 0.020 1 1055 96 96 LYS HE3 H 2.217 0.020 1 1056 96 96 LYS C C 176.217 0.300 1 1057 96 96 LYS CA C 57.519 0.300 1 1058 96 96 LYS CB C 33.021 0.300 1 1059 96 96 LYS CG C 25.897 0.300 1 1060 96 96 LYS CD C 29.090 0.300 1 1061 96 96 LYS CE C 41.496 0.300 1 1062 96 96 LYS N N 121.545 0.300 1 1063 97 97 ASP H H 8.971 0.020 1 1064 97 97 ASP HA H 4.735 0.020 1 1065 97 97 ASP HB2 H 2.964 0.020 2 1066 97 97 ASP HB3 H 2.290 0.020 2 1067 97 97 ASP C C 177.272 0.300 1 1068 97 97 ASP CA C 53.334 0.300 1 1069 97 97 ASP CB C 40.928 0.300 1 1070 97 97 ASP N N 124.111 0.300 1 1071 98 98 THR H H 8.212 0.020 1 1072 98 98 THR HA H 4.577 0.020 1 1073 98 98 THR HB H 4.582 0.020 1 1074 98 98 THR HG2 H 1.209 0.020 1 1075 98 98 THR C C 175.514 0.300 1 1076 98 98 THR CA C 62.397 0.300 1 1077 98 98 THR CB C 68.417 0.300 1 1078 98 98 THR CG2 C 21.748 0.300 1 1079 98 98 THR N N 115.514 0.300 1 1080 99 99 SER H H 8.773 0.020 1 1081 99 99 SER HA H 4.357 0.020 1 1082 99 99 SER HB2 H 3.993 0.020 2 1083 99 99 SER HB3 H 3.911 0.020 2 1084 99 99 SER C C 173.873 0.300 1 1085 99 99 SER CA C 60.423 0.300 1 1086 99 99 SER CB C 63.657 0.300 1 1087 99 99 SER N N 118.670 0.300 1 1088 100 100 MET H H 7.380 0.020 1 1089 100 100 MET HA H 5.064 0.020 1 1090 100 100 MET HB2 H 2.059 0.020 2 1091 100 100 MET HB3 H 1.964 0.020 2 1092 100 100 MET HG2 H 2.375 0.020 2 1093 100 100 MET HG3 H 2.328 0.020 2 1094 100 100 MET HE H 1.854 0.020 1 1095 100 100 MET CA C 52.146 0.300 1 1096 100 100 MET CB C 34.077 0.300 1 1097 100 100 MET CG C 32.022 0.300 1 1098 100 100 MET CE C 17.166 0.300 1 1099 100 100 MET N N 121.513 0.300 1 1100 101 101 PRO HA H 4.552 0.020 1 1101 101 101 PRO HB2 H 2.332 0.020 2 1102 101 101 PRO HB3 H 1.958 0.020 2 1103 101 101 PRO HG2 H 2.094 0.020 2 1104 101 101 PRO HG3 H 1.843 0.020 2 1105 101 101 PRO HD2 H 3.744 0.020 1 1106 101 101 PRO HD3 H 3.892 0.020 1 1107 101 101 PRO C C 177.389 0.300 1 1108 101 101 PRO CA C 62.750 0.300 1 1109 101 101 PRO CB C 32.280 0.300 1 1110 101 101 PRO CG C 27.292 0.300 1 1111 101 101 PRO CD C 50.784 0.300 1 1112 102 102 GLY H H 8.509 0.020 1 1113 102 102 GLY HA2 H 2.899 0.020 1 1114 102 102 GLY HA3 H 3.958 0.020 1 1115 102 102 GLY C C 173.229 0.300 1 1116 102 102 GLY CA C 45.015 0.300 1 1117 102 102 GLY N N 108.991 0.300 1 1118 103 103 MET H H 8.481 0.020 1 1119 103 103 MET HA H 4.461 0.020 1 1120 103 103 MET HB2 H 1.820 0.020 2 1121 103 103 MET HB3 H 1.739 0.020 2 1122 103 103 MET HG2 H 2.231 0.020 2 1123 103 103 MET HG3 H 2.137 0.020 2 1124 103 103 MET HE H 1.345 0.020 1 1125 103 103 MET C C 173.756 0.300 1 1126 103 103 MET CA C 54.196 0.300 1 1127 103 103 MET CB C 34.508 0.300 1 1128 103 103 MET CG C 31.103 0.300 1 1129 103 103 MET CE C 15.929 0.300 1 1130 103 103 MET N N 121.823 0.300 1 1131 104 104 HIS H H 7.672 0.020 1 1132 104 104 HIS HA H 4.602 0.020 1 1133 104 104 HIS HB2 H 2.845 0.020 1 1134 104 104 HIS HB3 H 2.845 0.020 1 1135 104 104 HIS HD2 H 6.720 0.020 1 1136 104 104 HIS C C 173.521 0.300 1 1137 104 104 HIS CA C 57.084 0.300 1 1138 104 104 HIS CB C 32.990 0.300 1 1139 104 104 HIS CD2 C 116.291 0.300 1 1140 104 104 HIS N N 126.304 0.300 1 1141 105 105 ILE H H 8.671 0.020 1 1142 105 105 ILE HA H 4.893 0.020 1 1143 105 105 ILE HB H 0.144 0.020 1 1144 105 105 ILE HG12 H 1.014 0.020 2 1145 105 105 ILE HG13 H 0.778 0.020 2 1146 105 105 ILE HG2 H 0.470 0.020 1 1147 105 105 ILE HD1 H 0.549 0.020 1 1148 105 105 ILE C C 174.635 0.300 1 1149 105 105 ILE CA C 59.640 0.300 1 1150 105 105 ILE CB C 40.702 0.300 1 1151 105 105 ILE CG1 C 28.065 0.300 1 1152 105 105 ILE CG2 C 18.014 0.300 1 1153 105 105 ILE CD1 C 13.696 0.300 1 1154 105 105 ILE N N 130.357 0.300 1 1155 106 106 THR H H 8.359 0.020 1 1156 106 106 THR HA H 5.027 0.020 1 1157 106 106 THR HB H 4.197 0.020 1 1158 106 106 THR HG2 H 1.244 0.020 1 1159 106 106 THR C C 173.580 0.300 1 1160 106 106 THR CA C 59.250 0.300 1 1161 106 106 THR CB C 71.980 0.300 1 1162 106 106 THR CG2 C 22.381 0.300 1 1163 106 106 THR N N 113.917 0.300 1 1164 107 107 LEU H H 9.397 0.020 1 1165 107 107 LEU HA H 5.118 0.020 1 1166 107 107 LEU HB2 H 1.647 0.020 1 1167 107 107 LEU HB3 H 0.751 0.020 1 1168 107 107 LEU HG H 1.433 0.020 1 1169 107 107 LEU HD2 H 0.918 0.020 1 1170 107 107 LEU C C 174.342 0.300 1 1171 107 107 LEU CA C 53.294 0.300 1 1172 107 107 LEU CB C 46.039 0.300 1 1173 107 107 LEU CG C 26.894 0.300 1 1174 107 107 LEU CD2 C 24.298 0.300 1 1175 107 107 LEU N N 124.296 0.300 1 1176 108 108 ASN H H 8.582 0.020 1 1177 108 108 ASN HA H 5.775 0.020 1 1178 108 108 ASN HB2 H 2.530 0.020 1 1179 108 108 ASN HB3 H 2.979 0.020 1 1180 108 108 ASN HD21 H 8.136 0.020 1 1181 108 108 ASN HD22 H 7.225 0.020 1 1182 108 108 ASN C C 173.521 0.300 1 1183 108 108 ASN CA C 52.709 0.300 1 1184 108 108 ASN CB C 43.582 0.300 1 1185 108 108 ASN N N 118.903 0.300 1 1186 108 108 ASN ND2 N 113.120 0.300 1 1187 109 109 PHE H H 8.901 0.020 1 1188 109 109 PHE HD1 H 7.058 0.020 1 1189 109 109 PHE HD2 H 7.058 0.020 1 1190 109 109 PHE CA C 56.459 0.300 1 1191 109 109 PHE CB C 41.771 0.300 1 1192 109 109 PHE CD1 C 131.464 0.300 1 1193 109 109 PHE N N 122.016 0.300 1 1194 113 113 LYS HA H 3.870 0.020 1 1195 113 113 LYS HB2 H 2.016 0.020 2 1196 113 113 LYS HB3 H 1.750 0.020 2 1197 113 113 LYS HG2 H 1.480 0.020 2 1198 113 113 LYS HG3 H 1.443 0.020 2 1199 113 113 LYS C C 176.334 0.300 1 1200 113 113 LYS CA C 57.162 0.300 1 1201 113 113 LYS CB C 30.755 0.300 1 1202 113 113 LYS CG C 25.293 0.300 1 1203 113 113 LYS CD C 29.274 0.300 1 1204 113 113 LYS CE C 42.176 0.300 1 1205 114 114 GLY H H 8.740 0.020 1 1206 114 114 GLY HA2 H 4.051 0.020 2 1207 114 114 GLY HA3 H 3.604 0.020 2 1208 114 114 GLY C C 173.404 0.300 1 1209 114 114 GLY CA C 45.640 0.300 1 1210 114 114 GLY N N 104.819 0.300 1 1211 115 115 LYS H H 7.779 0.020 1 1212 115 115 LYS HA H 5.084 0.020 1 1213 115 115 LYS HB2 H 1.883 0.020 2 1214 115 115 LYS HB3 H 1.566 0.020 2 1215 115 115 LYS HG2 H 1.457 0.020 2 1216 115 115 LYS HG3 H 1.290 0.020 2 1217 115 115 LYS HD2 H 1.744 0.020 1 1218 115 115 LYS HD3 H 1.744 0.020 1 1219 115 115 LYS HE2 H 3.005 0.020 1 1220 115 115 LYS HE3 H 3.005 0.020 1 1221 115 115 LYS C C 176.510 0.300 1 1222 115 115 LYS CA C 54.584 0.300 1 1223 115 115 LYS CB C 34.131 0.300 1 1224 115 115 LYS CG C 25.112 0.300 1 1225 115 115 LYS CD C 29.238 0.300 1 1226 115 115 LYS CE C 42.141 0.300 1 1227 115 115 LYS N N 118.794 0.300 1 1228 116 116 THR H H 9.310 0.020 1 1229 116 116 THR HA H 5.308 0.020 1 1230 116 116 THR HB H 4.073 0.020 1 1231 116 116 THR HG2 H 1.334 0.020 1 1232 116 116 THR C C 174.635 0.300 1 1233 116 116 THR CA C 63.040 0.300 1 1234 116 116 THR CB C 70.528 0.300 1 1235 116 116 THR CG2 C 21.795 0.300 1 1236 116 116 THR N N 123.219 0.300 1 1237 117 117 THR H H 9.787 0.020 1 1238 117 117 THR HA H 5.049 0.020 1 1239 117 117 THR HB H 3.979 0.020 1 1240 117 117 THR HG2 H 1.003 0.020 1 1241 117 117 THR C C 173.814 0.300 1 1242 117 117 THR CA C 62.664 0.300 1 1243 117 117 THR CB C 70.386 0.300 1 1244 117 117 THR CG2 C 21.570 0.300 1 1245 117 117 THR N N 126.511 0.300 1 1246 118 118 VAL H H 9.303 0.020 1 1247 118 118 VAL HA H 4.638 0.020 1 1248 118 118 VAL HB H 2.039 0.020 1 1249 118 118 VAL HG1 H 0.592 0.020 1 1250 118 118 VAL HG2 H 0.949 0.020 1 1251 118 118 VAL C C 175.104 0.300 1 1252 118 118 VAL CA C 60.833 0.300 1 1253 118 118 VAL CB C 34.110 0.300 1 1254 118 118 VAL CG1 C 19.821 0.300 1 1255 118 118 VAL CG2 C 22.454 0.300 1 1256 118 118 VAL N N 130.653 0.300 1 1257 119 119 THR H H 8.911 0.020 1 1258 119 119 THR HA H 5.037 0.020 1 1259 119 119 THR HB H 3.970 0.020 1 1260 119 119 THR HG2 H 1.015 0.020 1 1261 119 119 THR C C 174.811 0.300 1 1262 119 119 THR CA C 61.526 0.300 1 1263 119 119 THR CB C 69.968 0.300 1 1264 119 119 THR CG2 C 20.782 0.300 1 1265 119 119 THR N N 124.613 0.300 1 1266 120 120 SER H H 9.914 0.020 1 1267 120 120 SER HA H 5.656 0.020 1 1268 120 120 SER HB2 H 3.737 0.020 1 1269 120 120 SER HB3 H 3.948 0.020 1 1270 120 120 SER C C 174.400 0.300 1 1271 120 120 SER CA C 55.294 0.300 1 1272 120 120 SER CB C 64.737 0.300 1 1273 120 120 SER N N 125.755 0.300 1 1274 121 121 THR H H 9.485 0.020 1 1275 121 121 THR HA H 5.176 0.020 1 1276 121 121 THR HB H 4.320 0.020 1 1277 121 121 THR HG2 H 1.088 0.020 1 1278 121 121 THR C C 174.459 0.300 1 1279 121 121 THR CA C 62.313 0.300 1 1280 121 121 THR CB C 69.116 0.300 1 1281 121 121 THR CG2 C 21.054 0.300 1 1282 121 121 THR N N 124.851 0.300 1 1283 122 122 SER H H 9.451 0.020 1 1284 122 122 SER HA H 5.209 0.020 1 1285 122 122 SER HB2 H 3.870 0.020 2 1286 122 122 SER HB3 H 3.622 0.020 2 1287 122 122 SER C C 173.463 0.300 1 1288 122 122 SER CA C 57.369 0.300 1 1289 122 122 SER CB C 64.569 0.300 1 1290 122 122 SER N N 125.974 0.300 1 1291 123 123 THR H H 9.311 0.020 1 1292 123 123 THR HA H 4.627 0.020 1 1293 123 123 THR HB H 4.212 0.020 1 1294 123 123 THR HG2 H 1.152 0.020 1 1295 123 123 THR C C 174.049 0.300 1 1296 123 123 THR CA C 63.551 0.300 1 1297 123 123 THR CB C 69.189 0.300 1 1298 123 123 THR CG2 C 21.973 0.300 1 1299 123 123 THR N N 122.671 0.300 1 1300 124 124 PHE H H 9.143 0.020 1 1301 124 124 PHE HA H 4.670 0.020 1 1302 124 124 PHE HB2 H 3.035 0.020 1 1303 124 124 PHE HB3 H 3.307 0.020 1 1304 124 124 PHE HD1 H 7.362 0.020 1 1305 124 124 PHE HD2 H 7.362 0.020 1 1306 124 124 PHE CA C 56.877 0.300 1 1307 124 124 PHE CB C 40.339 0.300 1 1308 124 124 PHE CD1 C 131.322 0.300 1 1309 124 124 PHE N N 127.975 0.300 1 1310 125 125 PRO HA H 4.489 0.020 1 1311 125 125 PRO HB2 H 2.483 0.020 2 1312 125 125 PRO HB3 H 2.126 0.020 2 1313 125 125 PRO HG2 H 1.983 0.020 1 1314 125 125 PRO HG3 H 1.983 0.020 1 1315 125 125 PRO HD2 H 3.855 0.020 1 1316 125 125 PRO HD3 H 3.459 0.020 1 1317 125 125 PRO CA C 61.828 0.300 1 1318 125 125 PRO CB C 33.072 0.300 1 1319 125 125 PRO CG C 27.321 0.300 1 1320 125 125 PRO CD C 50.843 0.300 1 1321 126 126 THR H H 6.915 0.020 1 1322 126 126 THR HA H 4.751 0.020 1 1323 126 126 THR HB H 4.664 0.020 1 1324 126 126 THR HG2 H 1.290 0.020 1 1325 126 126 THR CA C 58.334 0.300 1 1326 126 126 THR CB C 73.990 0.300 1 1327 126 126 THR CG2 C 22.356 0.300 1 1328 126 126 THR N N 100.739 0.300 1 1329 128 128 SER HA H 4.162 0.020 1 1330 128 128 SER HB2 H 3.890 0.020 2 1331 128 128 SER HB3 H 3.861 0.020 2 1332 128 128 SER C C 176.803 0.300 1 1333 128 128 SER CA C 61.368 0.300 1 1334 128 128 SER CB C 62.231 0.300 1 1335 129 129 ALA H H 8.165 0.020 1 1336 129 129 ALA HA H 4.170 0.020 1 1337 129 129 ALA HB H 1.698 0.020 1 1338 129 129 ALA C C 179.674 0.300 1 1339 129 129 ALA CA C 54.907 0.300 1 1340 129 129 ALA CB C 18.947 0.300 1 1341 129 129 ALA N N 125.280 0.300 1 1342 130 130 ALA H H 7.160 0.020 1 1343 130 130 ALA HA H 2.585 0.020 1 1344 130 130 ALA HB H 1.184 0.020 1 1345 130 130 ALA C C 178.151 0.300 1 1346 130 130 ALA CA C 54.510 0.300 1 1347 130 130 ALA CB C 17.622 0.300 1 1348 130 130 ALA N N 122.087 0.300 1 1349 131 131 GLN H H 8.061 0.020 1 1350 131 131 GLN HA H 3.621 0.020 1 1351 131 131 GLN HB2 H 2.066 0.020 1 1352 131 131 GLN HB3 H 2.066 0.020 1 1353 131 131 GLN HG2 H 2.405 0.020 1 1354 131 131 GLN HG3 H 2.364 0.020 1 1355 131 131 GLN HE21 H 7.950 0.020 1 1356 131 131 GLN HE22 H 6.795 0.020 1 1357 131 131 GLN C C 177.389 0.300 1 1358 131 131 GLN CA C 58.056 0.300 1 1359 131 131 GLN CB C 28.322 0.300 1 1360 131 131 GLN CG C 33.179 0.300 1 1361 131 131 GLN N N 116.985 0.300 1 1362 131 131 GLN NE2 N 116.473 0.300 1 1363 132 132 GLN H H 8.291 0.020 1 1364 132 132 GLN HA H 4.062 0.020 1 1365 132 132 GLN HB2 H 2.091 0.020 1 1366 132 132 GLN HB3 H 2.091 0.020 1 1367 132 132 GLN HG2 H 2.472 0.020 2 1368 132 132 GLN HG3 H 2.374 0.020 2 1369 132 132 GLN HE21 H 7.417 0.020 2 1370 132 132 GLN HE22 H 6.843 0.020 2 1371 132 132 GLN C C 177.623 0.300 1 1372 132 132 GLN CA C 58.959 0.300 1 1373 132 132 GLN CB C 28.333 0.300 1 1374 132 132 GLN CG C 34.178 0.300 1 1375 132 132 GLN N N 118.890 0.300 1 1376 132 132 GLN NE2 N 111.651 0.300 1 1377 133 133 ALA H H 7.280 0.020 1 1378 133 133 ALA HA H 4.093 0.020 1 1379 133 133 ALA HB H 1.309 0.020 1 1380 133 133 ALA C C 180.436 0.300 1 1381 133 133 ALA CA C 55.468 0.300 1 1382 133 133 ALA CB C 18.057 0.300 1 1383 133 133 ALA N N 120.997 0.300 1 1384 134 134 ILE H H 7.479 0.020 1 1385 134 134 ILE HA H 4.627 0.020 1 1386 134 134 ILE HB H 2.240 0.020 1 1387 134 134 ILE HG12 H 1.531 0.020 2 1388 134 134 ILE HG13 H 1.280 0.020 2 1389 134 134 ILE HG2 H 0.960 0.020 1 1390 134 134 ILE HD1 H 0.744 0.020 1 1391 134 134 ILE C C 181.139 0.300 1 1392 134 134 ILE CA C 63.647 0.300 1 1393 134 134 ILE CB C 36.518 0.300 1 1394 134 134 ILE CG1 C 28.220 0.300 1 1395 134 134 ILE CG2 C 16.846 0.300 1 1396 134 134 ILE CD1 C 11.866 0.300 1 1397 134 134 ILE N N 119.122 0.300 1 1398 135 135 ASP H H 8.905 0.020 1 1399 135 135 ASP HA H 4.390 0.020 1 1400 135 135 ASP HB2 H 2.829 0.020 2 1401 135 135 ASP HB3 H 2.727 0.020 2 1402 135 135 ASP C C 177.858 0.300 1 1403 135 135 ASP CA C 57.480 0.300 1 1404 135 135 ASP CB C 40.058 0.300 1 1405 135 135 ASP N N 124.248 0.300 1 1406 136 136 MET H H 8.116 0.020 1 1407 136 136 MET HA H 4.544 0.020 1 1408 136 136 MET HB2 H 2.323 0.020 2 1409 136 136 MET HB3 H 2.182 0.020 2 1410 136 136 MET HG2 H 2.215 0.020 2 1411 136 136 MET HG3 H 1.921 0.020 2 1412 136 136 MET HE H 2.104 0.020 1 1413 136 136 MET C C 177.037 0.300 1 1414 136 136 MET CA C 55.521 0.300 1 1415 136 136 MET CB C 32.477 0.300 1 1416 136 136 MET CE C 16.813 0.300 1 1417 136 136 MET N N 117.353 0.300 1 1418 137 137 GLY H H 7.959 0.020 1 1419 137 137 GLY HA2 H 4.318 0.020 2 1420 137 137 GLY HA3 H 4.153 0.020 2 1421 137 137 GLY C C 176.627 0.300 1 1422 137 137 GLY CA C 46.933 0.300 1 1423 137 137 GLY N N 107.119 0.300 1 1424 138 138 VAL H H 7.959 0.020 1 1425 138 138 VAL HA H 4.087 0.020 1 1426 138 138 VAL HB H 2.199 0.020 1 1427 138 138 VAL HG1 H 0.930 0.020 1 1428 138 138 VAL HG2 H 1.065 0.020 1 1429 138 138 VAL C C 175.982 0.300 1 1430 138 138 VAL CA C 65.018 0.300 1 1431 138 138 VAL CB C 31.156 0.300 1 1432 138 138 VAL CG1 C 20.513 0.300 1 1433 138 138 VAL CG2 C 21.960 0.300 1 1434 138 138 VAL N N 121.008 0.300 1 1435 139 139 GLU H H 8.931 0.020 1 1436 139 139 GLU HA H 3.844 0.020 1 1437 139 139 GLU HB2 H 2.068 0.020 1 1438 139 139 GLU HB3 H 2.068 0.020 1 1439 139 139 GLU HG2 H 2.418 0.020 2 1440 139 139 GLU HG3 H 2.337 0.020 2 1441 139 139 GLU C C 177.682 0.300 1 1442 139 139 GLU CA C 60.220 0.300 1 1443 139 139 GLU CB C 29.866 0.300 1 1444 139 139 GLU CG C 36.264 0.300 1 1445 139 139 GLU N N 122.013 0.300 1 1446 140 140 THR H H 7.794 0.020 1 1447 140 140 THR HA H 4.097 0.020 1 1448 140 140 THR HB H 4.286 0.020 1 1449 140 140 THR HG2 H 1.313 0.020 1 1450 140 140 THR C C 177.623 0.300 1 1451 140 140 THR CA C 65.834 0.300 1 1452 140 140 THR CB C 68.779 0.300 1 1453 140 140 THR CG2 C 22.188 0.300 1 1454 140 140 THR N N 114.982 0.300 1 1455 141 141 GLY H H 8.034 0.020 1 1456 141 141 GLY HA2 H 3.979 0.020 2 1457 141 141 GLY HA3 H 3.870 0.020 2 1458 141 141 GLY C C 176.686 0.300 1 1459 141 141 GLY CA C 47.467 0.300 1 1460 141 141 GLY N N 110.889 0.300 1 1461 142 142 MET H H 8.417 0.020 1 1462 142 142 MET HA H 3.992 0.020 1 1463 142 142 MET HB2 H 1.519 0.020 1 1464 142 142 MET HB3 H 1.162 0.020 1 1465 142 142 MET HG2 H 2.370 0.020 2 1466 142 142 MET HG3 H 1.994 0.020 2 1467 142 142 MET HE H 1.833 0.020 1 1468 142 142 MET C C 178.502 0.300 1 1469 142 142 MET CA C 59.161 0.300 1 1470 142 142 MET CB C 31.973 0.300 1 1471 142 142 MET CG C 32.496 0.300 1 1472 142 142 MET CE C 16.784 0.300 1 1473 142 142 MET N N 122.570 0.300 1 1474 143 143 ASN H H 8.386 0.020 1 1475 143 143 ASN HA H 4.503 0.020 1 1476 143 143 ASN HB2 H 3.014 0.020 2 1477 143 143 ASN HB3 H 2.806 0.020 2 1478 143 143 ASN HD21 H 7.753 0.020 1 1479 143 143 ASN HD22 H 7.405 0.020 1 1480 143 143 ASN C C 177.565 0.300 1 1481 143 143 ASN CA C 56.771 0.300 1 1482 143 143 ASN CB C 39.025 0.300 1 1483 143 143 ASN N N 117.122 0.300 1 1484 143 143 ASN ND2 N 115.248 0.300 1 1485 144 144 SER H H 8.308 0.020 1 1486 144 144 SER HA H 4.295 0.020 1 1487 144 144 SER HB2 H 4.186 0.020 1 1488 144 144 SER HB3 H 4.081 0.020 1 1489 144 144 SER C C 177.565 0.300 1 1490 144 144 SER CA C 61.986 0.300 1 1491 144 144 SER CB C 63.523 0.300 1 1492 144 144 SER N N 114.735 0.300 1 1493 145 145 THR H H 7.859 0.020 1 1494 145 145 THR HA H 4.178 0.020 1 1495 145 145 THR HB H 4.087 0.020 1 1496 145 145 THR HG2 H 0.828 0.020 1 1497 145 145 THR C C 177.213 0.300 1 1498 145 145 THR CA C 66.576 0.300 1 1499 145 145 THR CB C 68.807 0.300 1 1500 145 145 THR CG2 C 21.711 0.300 1 1501 145 145 THR N N 118.808 0.300 1 1502 146 146 LEU H H 8.355 0.020 1 1503 146 146 LEU HA H 4.345 0.020 1 1504 146 146 LEU HB2 H 2.180 0.020 2 1505 146 146 LEU HB3 H 1.650 0.020 2 1506 146 146 LEU HG H 1.980 0.020 1 1507 146 146 LEU HD1 H 1.057 0.020 1 1508 146 146 LEU HD2 H 1.151 0.020 1 1509 146 146 LEU C C 179.557 0.300 1 1510 146 146 LEU CA C 58.308 0.300 1 1511 146 146 LEU CB C 41.258 0.300 1 1512 146 146 LEU CG C 28.610 0.300 1 1513 146 146 LEU CD1 C 26.876 0.300 1 1514 146 146 LEU CD2 C 23.593 0.300 1 1515 146 146 LEU N N 121.798 0.300 1 1516 147 147 ASN H H 8.433 0.020 1 1517 147 147 ASN HA H 4.602 0.020 1 1518 147 147 ASN HB2 H 3.361 0.020 2 1519 147 147 ASN HB3 H 2.922 0.020 2 1520 147 147 ASN HD21 H 7.806 0.020 2 1521 147 147 ASN HD22 H 6.959 0.020 2 1522 147 147 ASN C C 179.029 0.300 1 1523 147 147 ASN CA C 55.521 0.300 1 1524 147 147 ASN CB C 37.253 0.300 1 1525 147 147 ASN N N 119.966 0.300 1 1526 147 147 ASN ND2 N 111.109 0.300 1 1527 148 148 GLN H H 7.928 0.020 1 1528 148 148 GLN HA H 4.162 0.020 1 1529 148 148 GLN HB2 H 2.318 0.020 1 1530 148 148 GLN HB3 H 3.160 0.020 1 1531 148 148 GLN HG2 H 2.868 0.020 2 1532 148 148 GLN HG3 H 2.469 0.020 2 1533 148 148 GLN HE21 H 7.494 0.020 1 1534 148 148 GLN HE22 H 6.900 0.020 1 1535 148 148 GLN C C 179.322 0.300 1 1536 148 148 GLN CA C 57.879 0.300 1 1537 148 148 GLN CB C 27.757 0.300 1 1538 148 148 GLN CG C 34.102 0.300 1 1539 148 148 GLN N N 119.965 0.300 1 1540 148 148 GLN NE2 N 112.660 0.300 1 1541 149 149 LEU H H 7.280 0.020 1 1542 149 149 LEU HA H 3.367 0.020 1 1543 149 149 LEU HB2 H 0.059 0.020 1 1544 149 149 LEU HB3 H 1.523 0.020 1 1545 149 149 LEU HG H -0.303 0.020 1 1546 149 149 LEU HD1 H -0.594 0.020 1 1547 149 149 LEU HD2 H -0.303 0.020 1 1548 149 149 LEU C C 177.272 0.300 1 1549 149 149 LEU CA C 57.785 0.300 1 1550 149 149 LEU CB C 38.646 0.300 1 1551 149 149 LEU CG C 25.397 0.300 1 1552 149 149 LEU CD1 C 22.023 0.300 1 1553 149 149 LEU CD2 C 25.133 0.300 1 1554 149 149 LEU N N 123.627 0.300 1 1555 150 150 GLU H H 8.020 0.020 1 1556 150 150 GLU HA H 3.748 0.020 1 1557 150 150 GLU HB2 H 2.274 0.020 1 1558 150 150 GLU HB3 H 2.323 0.020 1 1559 150 150 GLU HG2 H 2.394 0.020 2 1560 150 150 GLU HG3 H 2.346 0.020 2 1561 150 150 GLU C C 177.799 0.300 1 1562 150 150 GLU CA C 60.476 0.300 1 1563 150 150 GLU CB C 30.017 0.300 1 1564 150 150 GLU CG C 36.536 0.300 1 1565 150 150 GLU N N 119.383 0.300 1 1566 151 151 LYS H H 7.416 0.020 1 1567 151 151 LYS HA H 4.028 0.020 1 1568 151 151 LYS HB2 H 1.908 0.020 1 1569 151 151 LYS HB3 H 1.908 0.020 1 1570 151 151 LYS HG2 H 1.641 0.020 2 1571 151 151 LYS HG3 H 1.455 0.020 2 1572 151 151 LYS HD2 H 1.743 0.020 1 1573 151 151 LYS HD3 H 1.743 0.020 1 1574 151 151 LYS HE2 H 3.115 0.020 1 1575 151 151 LYS HE3 H 3.115 0.020 1 1576 151 151 LYS C C 178.854 0.300 1 1577 151 151 LYS CA C 59.633 0.300 1 1578 151 151 LYS CB C 32.809 0.300 1 1579 151 151 LYS CG C 25.450 0.300 1 1580 151 151 LYS CD C 29.776 0.300 1 1581 151 151 LYS CE C 42.456 0.300 1 1582 151 151 LYS N N 116.783 0.300 1 1583 152 152 LEU H H 7.561 0.020 1 1584 152 152 LEU HA H 4.095 0.020 1 1585 152 152 LEU HB2 H 1.558 0.020 1 1586 152 152 LEU HB3 H 1.867 0.020 1 1587 152 152 LEU HG H 1.470 0.020 1 1588 152 152 LEU HD1 H 0.921 0.020 1 1589 152 152 LEU HD2 H 0.800 0.020 1 1590 152 152 LEU C C 179.440 0.300 1 1591 152 152 LEU CA C 58.192 0.300 1 1592 152 152 LEU CB C 42.225 0.300 1 1593 152 152 LEU CG C 26.943 0.300 1 1594 152 152 LEU CD1 C 24.686 0.300 1 1595 152 152 LEU CD2 C 26.943 0.300 1 1596 152 152 LEU N N 121.530 0.300 1 1597 153 153 LEU H H 8.251 0.020 1 1598 153 153 LEU HA H 3.888 0.020 1 1599 153 153 LEU HB2 H 1.791 0.020 1 1600 153 153 LEU HB3 H 1.234 0.020 1 1601 153 153 LEU HD1 H 0.238 0.020 1 1602 153 153 LEU HD2 H 0.439 0.020 1 1603 153 153 LEU C C 178.209 0.300 1 1604 153 153 LEU CA C 57.009 0.300 1 1605 153 153 LEU CB C 41.696 0.300 1 1606 153 153 LEU CD1 C 27.138 0.300 1 1607 153 153 LEU CD2 C 21.848 0.300 1 1608 153 153 LEU N N 117.640 0.300 1 1609 154 154 ASN H H 7.713 0.020 1 1610 154 154 ASN HA H 4.760 0.020 1 1611 154 154 ASN HB2 H 2.931 0.020 2 1612 154 154 ASN HB3 H 2.814 0.020 2 1613 154 154 ASN HD21 H 7.608 0.020 1 1614 154 154 ASN HD22 H 7.002 0.020 1 1615 154 154 ASN C C 175.865 0.300 1 1616 154 154 ASN CA C 53.646 0.300 1 1617 154 154 ASN CB C 38.958 0.300 1 1618 154 154 ASN N N 116.232 0.300 1 1619 154 154 ASN ND2 N 112.103 0.300 1 1620 155 155 GLN H H 7.764 0.020 1 1621 155 155 GLN HA H 4.211 0.020 1 1622 155 155 GLN HB2 H 2.174 0.020 1 1623 155 155 GLN HB3 H 2.174 0.020 1 1624 155 155 GLN HG2 H 2.517 0.020 2 1625 155 155 GLN HG3 H 2.442 0.020 2 1626 155 155 GLN HE21 H 7.412 0.020 2 1627 155 155 GLN HE22 H 7.124 0.020 2 1628 155 155 GLN C C 176.334 0.300 1 1629 155 155 GLN CA C 57.084 0.300 1 1630 155 155 GLN CB C 29.153 0.300 1 1631 155 155 GLN CG C 34.226 0.300 1 1632 155 155 GLN N N 119.994 0.300 1 1633 155 155 GLN NE2 N 109.479 0.300 1 1634 156 156 LYS H H 8.315 0.020 1 1635 156 156 LYS HA H 4.336 0.020 1 1636 156 156 LYS HB2 H 1.858 0.020 2 1637 156 156 LYS HB3 H 1.750 0.020 2 1638 156 156 LYS C C 176.510 0.300 1 1639 156 156 LYS CA C 56.146 0.300 1 1640 156 156 LYS CB C 32.469 0.300 1 1641 156 156 LYS CG C 24.666 0.300 1 1642 156 156 LYS N N 121.035 0.300 1 1643 157 157 LEU H H 8.143 0.020 1 1644 157 157 LEU HA H 4.318 0.020 1 1645 157 157 LEU HB2 H 1.608 0.020 1 1646 157 157 LEU HB3 H 1.508 0.020 1 1647 157 157 LEU HG H 1.601 0.020 1 1648 157 157 LEU HD1 H 0.911 0.020 1 1649 157 157 LEU HD2 H 0.840 0.020 1 1650 157 157 LEU C C 177.213 0.300 1 1651 157 157 LEU CA C 55.355 0.300 1 1652 157 157 LEU CB C 42.326 0.300 1 1653 157 157 LEU CG C 26.915 0.300 1 1654 157 157 LEU CD1 C 25.071 0.300 1 1655 157 157 LEU CD2 C 23.450 0.300 1 1656 157 157 LEU N N 123.065 0.300 1 1657 158 158 GLU H H 8.376 0.020 1 1658 158 158 GLU HA H 4.203 0.020 1 1659 158 158 GLU HB2 H 1.874 0.020 1 1660 158 158 GLU HB3 H 1.874 0.020 1 1661 158 158 GLU HG2 H 2.199 0.020 2 1662 158 158 GLU HG3 H 2.135 0.020 2 1663 158 158 GLU C C 172.350 0.300 1 1664 158 158 GLU CA C 56.459 0.300 1 1665 158 158 GLU CB C 30.208 0.300 1 1666 158 158 GLU CG C 36.057 0.300 1 1667 158 158 GLU N N 121.583 0.300 1 1668 159 159 HIS H H 8.226 0.020 1 1669 159 159 HIS CA C 54.896 0.300 1 1670 159 159 HIS CB C 35.521 0.300 1 1671 159 159 HIS N N 120.194 0.300 1 stop_ save_