data_6518 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; H,C,N chemical shift assignments for Allochromatium DsrC: Northeast Structural Genomics Consortium target OP4 ; _BMRB_accession_number 6518 _BMRB_flat_file_name bmr6518.str _Entry_type original _Submission_date 2005-02-19 _Accession_date 2005-02-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 640 "13C chemical shifts" 484 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-04-26 original author . stop_ _Original_release_date 2005-04-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'H,C,N Chemical Shift Assignments of A. vinosum DsrC' _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Kennedy Michael A. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ####################################### # Cited references within the entry # ####################################### save_entry_citation_2 _Saveframe_category citation _Citation_full . _Citation_title ; Novel genes of the dsr gene cluster and evidence for close interaction of Dsr proteins during sulfur oxidation in the phototrophic sulfur bacterium Allochromatium vinosum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15687204 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dahl C. . . 2 Engels S. . . 3 Pott-Sperling A. . . 4 Schulte A. . . 5 Sander J. . . 6 Lubbe Y. . . 7 Deuster O. . . 8 Brune D. . . stop_ _Journal_abbreviation 'J. Bacteriol.' _Journal_name_full . _Journal_volume 187 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1392 _Page_last 1404 _Year 2005 _Details . save_ save_entry_citation_3 _Saveframe_category citation _Citation_full . _Citation_title ; Sirohaem sulfite reductase and other proteins encoded by genes at the dsr locus of Chromatium vinosum are involved in the oxidation of intracellular sulfur ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9695921 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pott A. . . 2 Dahl C. . . stop_ _Journal_abbreviation 'Microbiology (Reading, U. K.)' _Journal_name_full . _Journal_volume 144 _Journal_issue 7 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1881 _Page_last 1894 _Year 1998 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DsrC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DsrC $DsrC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'component of sulfide oxidation system in Allochromatium vinosum' 'putative gamma subunit of dissimilatory sulfite reductase' stop_ _Database_query_date . _Details polypeptide save_ ######################## # Monomeric polymers # ######################## save_DsrC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DsrC _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; MADTIEVDGKQFAVDEEGYL SNLNDWVPGVADVMAKQDNL ELTEEHWDIINFLREYYEEY QIAPAVRVLTKAVGKKLGKE KGNSKYLYSLFPYGPAKQAC RFAGLPKPTGCV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ASP 4 THR 5 ILE 6 GLU 7 VAL 8 ASP 9 GLY 10 LYS 11 GLN 12 PHE 13 ALA 14 VAL 15 ASP 16 GLU 17 GLU 18 GLY 19 TYR 20 LEU 21 SER 22 ASN 23 LEU 24 ASN 25 ASP 26 TRP 27 VAL 28 PRO 29 GLY 30 VAL 31 ALA 32 ASP 33 VAL 34 MET 35 ALA 36 LYS 37 GLN 38 ASP 39 ASN 40 LEU 41 GLU 42 LEU 43 THR 44 GLU 45 GLU 46 HIS 47 TRP 48 ASP 49 ILE 50 ILE 51 ASN 52 PHE 53 LEU 54 ARG 55 GLU 56 TYR 57 TYR 58 GLU 59 GLU 60 TYR 61 GLN 62 ILE 63 ALA 64 PRO 65 ALA 66 VAL 67 ARG 68 VAL 69 LEU 70 THR 71 LYS 72 ALA 73 VAL 74 GLY 75 LYS 76 LYS 77 LEU 78 GLY 79 LYS 80 GLU 81 LYS 82 GLY 83 ASN 84 SER 85 LYS 86 TYR 87 LEU 88 TYR 89 SER 90 LEU 91 PHE 92 PRO 93 TYR 94 GLY 95 PRO 96 ALA 97 LYS 98 GLN 99 ALA 100 CYS 101 ARG 102 PHE 103 ALA 104 GLY 105 LEU 106 PRO 107 LYS 108 PRO 109 THR 110 GLY 111 CYS 112 VAL 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 1YX3 "Nmr Structure Of Allochromatium Vinosum Dsrc: Northeast Structural Genomics Consortium Target Op4" 100.00 132 100.00 100.00 4.12e-77 GB AAC35399 "DsrC [Allochromatium vinosum DSM 180]" 100.00 112 100.00 100.00 1.64e-76 GB ADC62195 "DsrC [Allochromatium vinosum DSM 180]" 100.00 112 100.00 100.00 1.64e-76 GB EXJ14779 "tRNA 2-thiouridine synthesizing protein E [Thiorhodococcus sp. AK35]" 100.00 112 97.32 99.11 6.07e-75 REF WP_012970469 "sulfur transfer protein TusE [Allochromatium vinosum]" 100.00 112 100.00 100.00 1.64e-76 REF YP_003443227 "DsrC protein [Allochromatium vinosum DSM 180]" 100.00 112 100.00 100.00 1.64e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DsrC 'Allochromatium vinosum' 1049 Eubacteria 'Not applicable' Allochromatium vinosum 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 $DsrC '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 $DsrC 1 mM '[U-13C; U-15N]' NaCl 500 mM . 'Sodium Phosphate' 50 mM . DTT 5 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength '600 MHz' _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength '800 MHz' _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_CC-TOCSY-NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CC-TOCSY-NH _Sample_label $sample_1 save_ save_HCC-TOCSY-NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NH _Sample_label $sample_1 save_ save_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.1 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.0 . indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name DsrC _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 . 1 MET HE H 2.09 0.02 1 2 . 1 MET C C 175.3 0.2 1 3 . 1 MET CA C 55.3 0.2 1 4 . 1 MET CB C 33.1 0.2 1 5 . 1 MET CE C 17.1 0.2 1 6 . 2 ALA H H 8.29 0.02 1 7 . 2 ALA HA H 4.44 0.02 1 8 . 2 ALA HB H 1.48 0.02 1 9 . 2 ALA C C 177.1 0.2 1 10 . 2 ALA CA C 52.5 0.2 1 11 . 2 ALA CB C 19.8 0.2 1 12 . 2 ALA N N 125.4 0.2 1 13 . 3 ASP H H 8.39 0.02 1 14 . 3 ASP HA H 4.73 0.02 1 15 . 3 ASP HB2 H 2.64 0.02 2 16 . 3 ASP HB3 H 2.76 0.02 2 17 . 3 ASP C C 175.7 0.2 1 18 . 3 ASP CA C 54.4 0.2 1 19 . 3 ASP CB C 41.9 0.2 1 20 . 3 ASP N N 119.4 0.2 1 21 . 4 THR H H 7.97 0.02 1 22 . 4 THR HA H 5.39 0.02 1 23 . 4 THR HB H 4.01 0.02 1 24 . 4 THR HG2 H 1.06 0.02 1 25 . 4 THR C C 174.6 0.2 1 26 . 4 THR CA C 59.9 0.2 1 27 . 4 THR CB C 73.3 0.2 1 28 . 4 THR CG2 C 21.7 0.2 1 29 . 4 THR N N 109.7 0.2 1 30 . 5 ILE H H 8.88 0.02 1 31 . 5 ILE HA H 4.65 0.02 1 32 . 5 ILE HB H 1.79 0.02 1 33 . 5 ILE HG12 H 1.15 0.02 2 34 . 5 ILE HG13 H 1.53 0.02 2 35 . 5 ILE HG2 H 0.91 0.02 1 36 . 5 ILE HD1 H 0.80 0.02 1 37 . 5 ILE C C 173.6 0.2 1 38 . 5 ILE CA C 59.9 0.2 1 39 . 5 ILE CB C 41.5 0.2 1 40 . 5 ILE CG1 C 26.2 0.2 1 41 . 5 ILE CG2 C 17.6 0.2 1 42 . 5 ILE CD1 C 15.0 0.2 1 43 . 5 ILE N N 115.8 0.2 1 44 . 6 GLU H H 8.37 0.02 1 45 . 6 GLU HA H 5.24 0.02 1 46 . 6 GLU HB2 H 1.85 0.02 2 47 . 6 GLU HB3 H 1.92 0.02 2 48 . 6 GLU HG2 H 1.89 0.02 2 49 . 6 GLU HG3 H 2.01 0.02 2 50 . 6 GLU C C 175.6 0.2 1 51 . 6 GLU CA C 54.9 0.2 1 52 . 6 GLU CB C 31.9 0.2 1 53 . 6 GLU CG C 36.9 0.2 1 54 . 6 GLU N N 124.0 0.2 1 55 . 7 VAL H H 8.84 0.02 1 56 . 7 VAL HA H 4.15 0.02 1 57 . 7 VAL HB H 1.97 0.02 1 58 . 7 VAL HG1 H 0.69 0.02 1 59 . 7 VAL HG2 H 0.66 0.02 1 60 . 7 VAL C C 175.6 0.2 1 61 . 7 VAL CA C 61.1 0.2 1 62 . 7 VAL CB C 34.0 0.2 1 63 . 7 VAL CG1 C 20.6 0.2 1 64 . 7 VAL CG2 C 20.8 0.2 1 65 . 7 VAL N N 125.2 0.2 1 66 . 8 ASP H H 9.27 0.02 1 67 . 8 ASP HA H 4.28 0.02 1 68 . 8 ASP HB2 H 2.57 0.02 2 69 . 8 ASP HB3 H 2.97 0.02 2 70 . 8 ASP C C 175.9 0.2 1 71 . 8 ASP CA C 55.6 0.2 1 72 . 8 ASP CB C 40.1 0.2 1 73 . 8 ASP N N 128.6 0.2 1 74 . 9 GLY H H 8.59 0.02 1 75 . 9 GLY HA2 H 3.62 0.02 2 76 . 9 GLY HA3 H 4.14 0.02 2 77 . 9 GLY C C 173.7 0.2 1 78 . 9 GLY CA C 45.6 0.2 1 79 . 9 GLY N N 103.6 0.2 1 80 . 10 LYS H H 7.87 0.02 1 81 . 10 LYS HA H 4.48 0.02 1 82 . 10 LYS HB2 H 1.56 0.02 2 83 . 10 LYS HB3 H 1.66 0.02 2 84 . 10 LYS HG2 H 1.18 0.02 2 85 . 10 LYS HG3 H 1.33 0.02 2 86 . 10 LYS HD2 H 1.68 0.02 2 87 . 10 LYS HD3 H 1.71 0.02 2 88 . 10 LYS HE2 H 2.96 0.02 2 89 . 10 LYS HE3 H 2.98 0.02 2 90 . 10 LYS C C 174.5 0.2 1 91 . 10 LYS CA C 54.8 0.2 1 92 . 10 LYS CB C 34.7 0.2 1 93 . 10 LYS CG C 24.9 0.2 1 94 . 10 LYS CD C 28.9 0.2 1 95 . 10 LYS CE C 42.4 0.2 1 96 . 10 LYS N N 122.3 0.2 1 97 . 11 GLN H H 8.16 0.02 1 98 . 11 GLN HA H 4.99 0.02 1 99 . 11 GLN HB2 H 1.75 0.02 2 100 . 11 GLN HB3 H 1.91 0.02 2 101 . 11 GLN HG2 H 2.18 0.02 2 102 . 11 GLN HG3 H 2.32 0.02 2 103 . 11 GLN HE21 H 6.76 0.02 2 104 . 11 GLN HE22 H 7.53 0.02 2 105 . 11 GLN C C 175.9 0.2 1 106 . 11 GLN CA C 54.7 0.2 1 107 . 11 GLN CB C 30.1 0.2 1 108 . 11 GLN CG C 33.9 0.2 1 109 . 11 GLN CD C 179.9 0.2 1 110 . 11 GLN N N 119.7 0.2 1 111 . 11 GLN NE2 N 112.2 0.2 1 112 . 12 PHE H H 9.11 0.02 1 113 . 12 PHE HA H 5.04 0.02 1 114 . 12 PHE HB2 H 2.77 0.02 2 115 . 12 PHE HB3 H 2.98 0.02 2 116 . 12 PHE HD1 H 7.14 0.02 3 117 . 12 PHE HE1 H 7.30 0.02 3 118 . 12 PHE HZ H 7.18 0.02 1 119 . 12 PHE C C 174.9 0.2 1 120 . 12 PHE CA C 55.3 0.2 1 121 . 12 PHE CB C 41.3 0.2 1 122 . 12 PHE CD1 C 130.7 0.2 3 123 . 12 PHE CE1 C 131.3 0.2 3 124 . 12 PHE CZ C 129.5 0.2 1 125 . 12 PHE N N 122.7 0.2 1 126 . 13 ALA H H 8.94 0.02 1 127 . 13 ALA HA H 4.71 0.02 1 128 . 13 ALA HB H 1.53 0.02 1 129 . 13 ALA C C 177.6 0.2 1 130 . 13 ALA CA C 53.1 0.2 1 131 . 13 ALA CB C 19.3 0.2 1 132 . 13 ALA N N 125.8 0.2 1 133 . 14 VAL H H 8.08 0.02 1 134 . 14 VAL HA H 5.20 0.02 1 135 . 14 VAL HB H 1.86 0.02 1 136 . 14 VAL HG1 H 0.76 0.02 1 137 . 14 VAL HG2 H 0.73 0.02 1 138 . 14 VAL C C 175.7 0.2 1 139 . 14 VAL CA C 58.8 0.2 1 140 . 14 VAL CB C 36.5 0.2 1 141 . 14 VAL CG1 C 22.2 0.2 1 142 . 14 VAL CG2 C 18.5 0.2 1 143 . 14 VAL N N 114.8 0.2 1 144 . 15 ASP H H 9.01 0.02 1 145 . 15 ASP HA H 4.72 0.02 1 146 . 15 ASP HB2 H 2.74 0.02 2 147 . 15 ASP HB3 H 3.38 0.02 2 148 . 15 ASP C C 178.5 0.2 1 149 . 15 ASP CA C 52.2 0.2 1 150 . 15 ASP CB C 41.6 0.2 1 151 . 15 ASP N N 120.5 0.2 1 152 . 16 GLU H H 8.97 0.02 1 153 . 16 GLU HA H 4.17 0.02 1 154 . 16 GLU HB2 H 2.11 0.02 2 155 . 16 GLU HB3 H 2.19 0.02 2 156 . 16 GLU HG2 H 2.39 0.02 2 157 . 16 GLU HG3 H 2.44 0.02 2 158 . 16 GLU C C 177.3 0.2 1 159 . 16 GLU CA C 59.2 0.2 1 160 . 16 GLU CB C 29.3 0.2 1 161 . 16 GLU CG C 36.6 0.2 1 162 . 16 GLU N N 116.5 0.2 1 163 . 17 GLU H H 8.29 0.02 1 164 . 17 GLU HA H 4.58 0.02 1 165 . 17 GLU HB2 H 2.17 0.02 2 166 . 17 GLU HB3 H 2.62 0.02 2 167 . 17 GLU HG2 H 2.22 0.02 2 168 . 17 GLU HG3 H 2.32 0.02 2 169 . 17 GLU C C 175.6 0.2 1 170 . 17 GLU CA C 55.9 0.2 1 171 . 17 GLU CB C 31.2 0.2 1 172 . 17 GLU CG C 38.2 0.2 1 173 . 17 GLU N N 117.9 0.2 1 174 . 18 GLY H H 8.23 0.02 1 175 . 18 GLY HA2 H 3.44 0.02 2 176 . 18 GLY HA3 H 4.17 0.02 2 177 . 18 GLY C C 174.2 0.2 1 178 . 18 GLY CA C 46.0 0.2 1 179 . 18 GLY N N 108.2 0.2 1 180 . 19 TYR H H 8.64 0.02 1 181 . 19 TYR HA H 4.43 0.02 1 182 . 19 TYR HB2 H 2.89 0.02 2 183 . 19 TYR HB3 H 3.27 0.02 2 184 . 19 TYR HD1 H 7.45 0.02 3 185 . 19 TYR HE1 H 6.56 0.02 3 186 . 19 TYR C C 176.7 0.2 1 187 . 19 TYR CA C 57.8 0.2 1 188 . 19 TYR CB C 38.1 0.2 1 189 . 19 TYR CD1 C 134.7 0.2 3 190 . 19 TYR CE1 C 117.7 0.2 3 191 . 19 TYR N N 121.8 0.2 1 192 . 20 LEU H H 9.23 0.02 1 193 . 20 LEU HA H 4.26 0.02 1 194 . 20 LEU HB2 H 1.43 0.02 2 195 . 20 LEU HB3 H 1.78 0.02 2 196 . 20 LEU HG H 1.96 0.02 1 197 . 20 LEU HD1 H 1.17 0.02 1 198 . 20 LEU HD2 H 1.05 0.02 1 199 . 20 LEU C C 178.2 0.2 1 200 . 20 LEU CA C 56.1 0.2 1 201 . 20 LEU CB C 42.4 0.2 1 202 . 20 LEU CG C 27.2 0.2 1 203 . 20 LEU CD1 C 26.3 0.2 1 204 . 20 LEU CD2 C 25.0 0.2 1 205 . 20 LEU N N 121.5 0.2 1 206 . 21 SER H H 8.25 0.02 1 207 . 21 SER HA H 4.29 0.02 1 208 . 21 SER HB2 H 3.57 0.02 2 209 . 21 SER HB3 H 3.79 0.02 2 210 . 21 SER C C 174.7 0.2 1 211 . 21 SER CA C 61.5 0.2 1 212 . 21 SER CB C 63.5 0.2 1 213 . 21 SER N N 120.6 0.2 1 214 . 22 ASN H H 9.32 0.02 1 215 . 22 ASN HA H 5.01 0.02 1 216 . 22 ASN HB2 H 2.74 0.02 2 217 . 22 ASN HB3 H 3.03 0.02 2 218 . 22 ASN HD21 H 7.06 0.02 2 219 . 22 ASN HD22 H 7.57 0.02 2 220 . 22 ASN C C 175.2 0.2 1 221 . 22 ASN CA C 51.6 0.2 1 222 . 22 ASN CB C 38.9 0.2 1 223 . 22 ASN CG C 177.7 0.2 1 224 . 22 ASN N N 120.4 0.2 1 225 . 22 ASN ND2 N 113.5 0.2 1 226 . 23 LEU H H 8.51 0.02 1 227 . 23 LEU HA H 4.12 0.02 1 228 . 23 LEU HB2 H 1.65 0.02 2 229 . 23 LEU HB3 H 1.76 0.02 2 230 . 23 LEU HG H 1.74 0.02 1 231 . 23 LEU HD1 H 0.82 0.02 1 232 . 23 LEU HD2 H 0.80 0.02 1 233 . 23 LEU C C 179.9 0.2 1 234 . 23 LEU CA C 58.5 0.2 1 235 . 23 LEU CB C 41.9 0.2 1 236 . 23 LEU CG C 27.0 0.2 1 237 . 23 LEU CD1 C 26.0 0.2 1 238 . 23 LEU CD2 C 24.3 0.2 1 239 . 23 LEU N N 125.2 0.2 1 240 . 24 ASN H H 8.50 0.02 1 241 . 24 ASN HA H 4.68 0.02 1 242 . 24 ASN HB2 H 2.85 0.02 2 243 . 24 ASN HB3 H 2.97 0.02 2 244 . 24 ASN HD21 H 7.08 0.02 2 245 . 24 ASN HD22 H 7.74 0.02 2 246 . 24 ASN C C 175.8 0.2 1 247 . 24 ASN CA C 55.0 0.2 1 248 . 24 ASN CB C 38.3 0.2 1 249 . 24 ASN CG C 177.0 0.2 1 250 . 24 ASN N N 115.1 0.2 1 251 . 24 ASN ND2 N 113.9 0.2 1 252 . 25 ASP H H 7.99 0.02 1 253 . 25 ASP HA H 4.59 0.02 1 254 . 25 ASP HB2 H 2.42 0.02 2 255 . 25 ASP HB3 H 2.90 0.02 2 256 . 25 ASP C C 176.0 0.2 1 257 . 25 ASP CA C 55.3 0.2 1 258 . 25 ASP CB C 41.5 0.2 1 259 . 25 ASP N N 119.1 0.2 1 260 . 26 TRP H H 7.12 0.02 1 261 . 26 TRP HA H 3.56 0.02 1 262 . 26 TRP HB2 H 3.10 0.02 2 263 . 26 TRP HB3 H 3.26 0.02 2 264 . 26 TRP HD1 H 6.72 0.02 1 265 . 26 TRP HE1 H 10.83 0.02 1 266 . 26 TRP HE3 H 7.33 0.02 1 267 . 26 TRP HZ2 H 7.48 0.02 1 268 . 26 TRP HZ3 H 7.19 0.02 1 269 . 26 TRP HH2 H 7.64 0.02 1 270 . 26 TRP C C 175.5 0.2 1 271 . 26 TRP CA C 63.7 0.2 1 272 . 26 TRP CB C 30.1 0.2 1 273 . 26 TRP CD1 C 125.6 0.2 1 274 . 26 TRP CE3 C 120.1 0.2 1 275 . 26 TRP CZ2 C 112.9 0.2 1 276 . 26 TRP CZ3 C 122.4 0.2 1 277 . 26 TRP CH2 C 124.5 0.2 1 278 . 26 TRP N N 116.5 0.2 1 279 . 26 TRP NE1 N 130.0 0.2 1 280 . 27 VAL H H 6.10 0.02 1 281 . 27 VAL HA H 4.22 0.02 1 282 . 27 VAL HB H 2.20 0.02 1 283 . 27 VAL HG1 H 1.07 0.02 1 284 . 27 VAL HG2 H 0.70 0.02 1 285 . 27 VAL CA C 58.5 0.2 1 286 . 27 VAL CB C 33.4 0.2 1 287 . 27 VAL CG1 C 23.0 0.2 1 288 . 27 VAL CG2 C 18.2 0.2 1 289 . 27 VAL N N 118.8 0.2 1 290 . 28 PRO HA H 3.82 0.02 1 291 . 28 PRO HB2 H 1.73 0.02 2 292 . 28 PRO HB3 H 2.25 0.02 2 293 . 28 PRO HG2 H 1.99 0.02 2 294 . 28 PRO HG3 H 2.02 0.02 2 295 . 28 PRO HD2 H 3.45 0.02 2 296 . 28 PRO HD3 H 3.53 0.02 2 297 . 28 PRO C C 177.6 0.2 1 298 . 28 PRO CA C 66.0 0.2 1 299 . 28 PRO CB C 31.7 0.2 1 300 . 28 PRO CD C 49.7 0.2 1 301 . 29 GLY H H 8.40 0.02 1 302 . 29 GLY HA2 H 3.62 0.02 2 303 . 29 GLY HA3 H 4.05 0.02 2 304 . 29 GLY C C 176.2 0.2 1 305 . 29 GLY CA C 47.1 0.2 1 306 . 29 GLY N N 101.5 0.2 1 307 . 30 VAL H H 8.07 0.02 1 308 . 30 VAL HA H 3.32 0.02 1 309 . 30 VAL HB H 1.96 0.02 1 310 . 30 VAL HG1 H 1.12 0.02 1 311 . 30 VAL HG2 H 0.72 0.02 1 312 . 30 VAL C C 177.1 0.2 1 313 . 30 VAL CA C 66.3 0.2 1 314 . 30 VAL CB C 31.5 0.2 1 315 . 30 VAL CG1 C 21.8 0.2 1 316 . 30 VAL CG2 C 24.3 0.2 1 317 . 30 VAL N N 120.6 0.2 1 318 . 31 ALA H H 7.21 0.02 1 319 . 31 ALA HA H 3.98 0.02 1 320 . 31 ALA HB H 1.56 0.02 1 321 . 31 ALA C C 178.6 0.2 1 322 . 31 ALA CA C 55.9 0.2 1 323 . 31 ALA CB C 18.9 0.2 1 324 . 31 ALA N N 120.5 0.2 1 325 . 32 ASP H H 7.01 0.02 1 326 . 32 ASP HA H 4.25 0.02 1 327 . 32 ASP HB2 H 2.67 0.02 2 328 . 32 ASP HB3 H 2.73 0.02 2 329 . 32 ASP C C 179.1 0.2 1 330 . 32 ASP CA C 58.1 0.2 1 331 . 32 ASP CB C 41.6 0.2 1 332 . 32 ASP N N 114.3 0.2 1 333 . 33 VAL H H 7.70 0.02 1 334 . 33 VAL HA H 3.69 0.02 1 335 . 33 VAL HB H 2.05 0.02 1 336 . 33 VAL HG1 H 1.02 0.02 1 337 . 33 VAL HG2 H 1.23 0.02 1 338 . 33 VAL C C 179.1 0.2 1 339 . 33 VAL CA C 66.8 0.2 1 340 . 33 VAL CB C 32.1 0.2 1 341 . 33 VAL CG1 C 21.4 0.2 1 342 . 33 VAL CG2 C 23.7 0.2 1 343 . 33 VAL N N 120.2 0.2 1 344 . 34 MET H H 8.34 0.02 1 345 . 34 MET HA H 3.97 0.02 1 346 . 34 MET HB2 H 2.31 0.02 2 347 . 34 MET HB3 H 2.84 0.02 2 348 . 34 MET HG2 H 1.72 0.02 2 349 . 34 MET HG3 H 1.96 0.02 2 350 . 34 MET HE H 2.02 0.02 1 351 . 34 MET C C 177.9 0.2 1 352 . 34 MET CA C 59.8 0.2 1 353 . 34 MET CB C 33.7 0.2 1 354 . 34 MET CG C 33.9 0.2 1 355 . 34 MET CE C 17.4 0.2 1 356 . 34 MET N N 120.9 0.2 1 357 . 35 ALA H H 8.28 0.02 1 358 . 35 ALA HA H 3.68 0.02 1 359 . 35 ALA HB H 0.96 0.02 1 360 . 35 ALA C C 180.2 0.2 1 361 . 35 ALA CA C 55.6 0.2 1 362 . 35 ALA CB C 17.1 0.2 1 363 . 35 ALA N N 121.4 0.2 1 364 . 36 LYS H H 7.57 0.02 1 365 . 36 LYS HA H 4.14 0.02 1 366 . 36 LYS HB2 H 1.94 0.02 2 367 . 36 LYS HB3 H 2.04 0.02 2 368 . 36 LYS HG2 H 1.53 0.02 2 369 . 36 LYS HG3 H 1.65 0.02 2 370 . 36 LYS HD2 H 1.76 0.02 2 371 . 36 LYS HD3 H 2.19 0.02 2 372 . 36 LYS HE2 H 3.04 0.02 2 373 . 36 LYS HE3 H 3.06 0.02 2 374 . 36 LYS C C 181.3 0.2 1 375 . 36 LYS CA C 59.5 0.2 1 376 . 36 LYS CB C 32.2 0.2 1 377 . 36 LYS CG C 25.3 0.2 1 378 . 36 LYS CD C 29.2 0.2 1 379 . 36 LYS CE C 42.5 0.2 1 380 . 36 LYS N N 118.3 0.2 1 381 . 37 GLN H H 7.66 0.02 1 382 . 37 GLN HA H 4.12 0.02 1 383 . 37 GLN HB2 H 2.12 0.02 2 384 . 37 GLN HB3 H 2.63 0.02 2 385 . 37 GLN HG2 H 2.51 0.02 2 386 . 37 GLN HG3 H 2.82 0.02 2 387 . 37 GLN HE21 H 6.78 0.02 2 388 . 37 GLN HE22 H 7.70 0.02 2 389 . 37 GLN C C 177.7 0.2 1 390 . 37 GLN CA C 58.7 0.2 1 391 . 37 GLN CB C 27.9 0.2 1 392 . 37 GLN CG C 33.2 0.2 1 393 . 37 GLN CD C 180.0 0.2 1 394 . 37 GLN N N 119.7 0.2 1 395 . 37 GLN NE2 N 110.5 0.2 1 396 . 38 ASP H H 7.33 0.02 1 397 . 38 ASP HA H 4.83 0.02 1 398 . 38 ASP HB2 H 2.68 0.02 2 399 . 38 ASP HB3 H 2.91 0.02 2 400 . 38 ASP C C 175.0 0.2 1 401 . 38 ASP CA C 54.1 0.2 1 402 . 38 ASP CB C 40.9 0.2 1 403 . 38 ASP N N 118.1 0.2 1 404 . 39 ASN H H 8.00 0.02 1 405 . 39 ASN HA H 4.34 0.02 1 406 . 39 ASN HB2 H 2.84 0.02 2 407 . 39 ASN HB3 H 3.15 0.02 2 408 . 39 ASN HD21 H 6.88 0.02 2 409 . 39 ASN HD22 H 7.56 0.02 2 410 . 39 ASN C C 173.3 0.2 1 411 . 39 ASN CA C 54.4 0.2 1 412 . 39 ASN CB C 37.5 0.2 1 413 . 39 ASN CG C 178.6 0.2 1 414 . 39 ASN N N 116.1 0.2 1 415 . 39 ASN ND2 N 112.7 0.2 1 416 . 40 LEU H H 8.21 0.02 1 417 . 40 LEU HA H 4.62 0.02 1 418 . 40 LEU HB2 H 1.31 0.02 2 419 . 40 LEU HB3 H 1.43 0.02 2 420 . 40 LEU HG H 1.28 0.02 1 421 . 40 LEU HD1 H 0.99 0.02 1 422 . 40 LEU HD2 H 0.86 0.02 1 423 . 40 LEU C C 175.1 0.2 1 424 . 40 LEU CA C 53.9 0.2 1 425 . 40 LEU CB C 46.3 0.2 1 426 . 40 LEU CG C 27.0 0.2 1 427 . 40 LEU CD1 C 24.5 0.2 1 428 . 40 LEU CD2 C 25.3 0.2 1 429 . 40 LEU N N 120.7 0.2 1 430 . 41 GLU H H 7.99 0.02 1 431 . 41 GLU HA H 4.24 0.02 1 432 . 41 GLU HB2 H 2.06 0.02 2 433 . 41 GLU HB3 H 2.18 0.02 2 434 . 41 GLU HG2 H 1.81 0.02 2 435 . 41 GLU HG3 H 1.87 0.02 2 436 . 41 GLU C C 175.2 0.2 1 437 . 41 GLU CA C 55.1 0.2 1 438 . 41 GLU CB C 30.7 0.2 1 439 . 41 GLU CG C 36.3 0.2 1 440 . 41 GLU N N 124.4 0.2 1 441 . 42 LEU H H 8.41 0.02 1 442 . 42 LEU HA H 3.56 0.02 1 443 . 42 LEU HB2 H 0.81 0.02 2 444 . 42 LEU HB3 H 1.95 0.02 2 445 . 42 LEU HG H 1.21 0.02 1 446 . 42 LEU HD1 H 0.26 0.02 1 447 . 42 LEU HD2 H 0.15 0.02 1 448 . 42 LEU C C 177.3 0.2 1 449 . 42 LEU CA C 55.0 0.2 1 450 . 42 LEU CB C 41.7 0.2 1 451 . 42 LEU CG C 25.7 0.2 1 452 . 42 LEU CD1 C 25.5 0.2 1 453 . 42 LEU CD2 C 21.9 0.2 1 454 . 42 LEU N N 123.5 0.2 1 455 . 43 THR H H 9.41 0.02 1 456 . 43 THR HA H 5.06 0.02 1 457 . 43 THR HB H 4.87 0.02 1 458 . 43 THR HG2 H 1.44 0.02 1 459 . 43 THR CA C 60.6 0.2 1 460 . 43 THR CB C 73.3 0.2 1 461 . 43 THR CG2 C 21.8 0.2 1 462 . 43 THR N N 119.3 0.2 1 463 . 44 GLU HA H 4.41 0.02 1 464 . 44 GLU HB2 H 2.23 0.02 2 465 . 44 GLU HB3 H 2.29 0.02 2 466 . 44 GLU HG2 H 2.48 0.02 2 467 . 44 GLU HG3 H 2.55 0.02 2 468 . 44 GLU C C 178.3 0.2 1 469 . 44 GLU CA C 60.6 0.2 1 470 . 44 GLU CB C 29.4 0.2 1 471 . 44 GLU CG C 36.8 0.2 1 472 . 45 GLU H H 8.18 0.02 1 473 . 45 GLU HA H 4.28 0.02 1 474 . 45 GLU HB2 H 1.76 0.02 2 475 . 45 GLU HB3 H 2.08 0.02 2 476 . 45 GLU HG2 H 2.42 0.02 2 477 . 45 GLU HG3 H 2.49 0.02 2 478 . 45 GLU C C 180.0 0.2 1 479 . 45 GLU CA C 60.0 0.2 1 480 . 45 GLU CB C 30.2 0.2 1 481 . 45 GLU CG C 38.5 0.2 1 482 . 45 GLU N N 116.5 0.2 1 483 . 46 HIS H H 7.58 0.02 1 484 . 46 HIS HA H 4.06 0.02 1 485 . 46 HIS HB2 H 2.80 0.02 2 486 . 46 HIS HB3 H 3.30 0.02 2 487 . 46 HIS HD2 H 5.63 0.02 1 488 . 46 HIS CE1 C 139.5 0.02 1 489 . 46 HIS HE1 H 7.82 0.02 1 490 . 46 HIS HE2 H 11.55 0.02 1 491 . 46 HIS C C 179.5 0.2 1 492 . 46 HIS CA C 62.7 0.2 1 493 . 46 HIS CB C 32.1 0.2 1 494 . 46 HIS CD2 C 118.3 0.2 1 495 . 46 HIS N N 117.1 0.2 1 496 . 46 HIS NE2 N 170.0 0.2 1 497 . 47 TRP H H 8.37 0.02 1 498 . 47 TRP HA H 4.51 0.02 1 499 . 47 TRP HB2 H 3.41 0.02 2 500 . 47 TRP HB3 H 3.52 0.02 2 501 . 47 TRP HD1 H 7.12 0.02 1 502 . 47 TRP HE1 H 10.36 0.02 1 503 . 47 TRP HE3 H 7.81 0.02 1 504 . 47 TRP HZ2 H 7.55 0.02 1 505 . 47 TRP HZ3 H 7.47 0.02 1 506 . 47 TRP HH2 H 7.75 0.02 1 507 . 47 TRP C C 178.1 0.2 1 508 . 47 TRP CA C 61.7 0.2 1 509 . 47 TRP CB C 29.1 0.2 1 510 . 47 TRP CD1 C 127.0 0.2 1 511 . 47 TRP CE3 C 120.3 0.2 1 512 . 47 TRP CZ2 C 115.5 0.2 1 513 . 47 TRP CZ3 C 121.4 0.2 1 514 . 47 TRP CH2 C 125.2 0.2 1 515 . 47 TRP N N 120.3 0.2 1 516 . 47 TRP NE1 N 129.5 0.2 1 517 . 48 ASP H H 8.54 0.02 1 518 . 48 ASP HA H 4.80 0.02 1 519 . 48 ASP HB2 H 2.65 0.02 2 520 . 48 ASP HB3 H 2.94 0.02 2 521 . 48 ASP C C 179.7 0.2 1 522 . 48 ASP CA C 57.9 0.2 1 523 . 48 ASP CB C 40.4 0.2 1 524 . 48 ASP N N 119.6 0.2 1 525 . 49 ILE H H 7.33 0.02 1 526 . 49 ILE HA H 4.03 0.02 1 527 . 49 ILE HB H 2.57 0.02 1 528 . 49 ILE HG12 H 1.51 0.02 2 529 . 49 ILE HG13 H 2.03 0.02 2 530 . 49 ILE HG2 H 0.84 0.02 1 531 . 49 ILE HD1 H 0.80 0.02 1 532 . 49 ILE C C 177.3 0.2 1 533 . 49 ILE CA C 62.8 0.2 1 534 . 49 ILE CB C 35.7 0.2 1 535 . 49 ILE CG1 C 28.2 0.2 1 536 . 49 ILE CG2 C 17.2 0.2 1 537 . 49 ILE CD1 C 10.0 0.2 1 538 . 49 ILE N N 118.1 0.2 1 539 . 50 ILE H H 8.56 0.02 1 540 . 50 ILE HA H 3.51 0.02 1 541 . 50 ILE HB H 1.99 0.02 1 542 . 50 ILE HG12 H 0.99 0.02 2 543 . 50 ILE HG13 H 1.89 0.02 2 544 . 50 ILE HG2 H 0.99 0.02 1 545 . 50 ILE HD1 H 0.30 0.02 1 546 . 50 ILE C C 177.1 0.2 1 547 . 50 ILE CA C 66.8 0.2 1 548 . 50 ILE CB C 38.8 0.2 1 549 . 50 ILE CG1 C 29.8 0.2 1 550 . 50 ILE CG2 C 17.1 0.2 1 551 . 50 ILE CD1 C 14.1 0.2 1 552 . 50 ILE N N 122.5 0.2 1 553 . 51 ASN H H 9.40 0.02 1 554 . 51 ASN HA H 4.66 0.02 1 555 . 51 ASN HB2 H 3.03 0.02 2 556 . 51 ASN HB3 H 3.13 0.02 2 557 . 51 ASN HD21 H 7.12 0.02 2 558 . 51 ASN HD22 H 7.82 0.02 2 559 . 51 ASN C C 178.8 0.2 1 560 . 51 ASN CA C 56.6 0.2 1 561 . 51 ASN CB C 38.1 0.2 1 562 . 51 ASN CG C 175.9 0.2 1 563 . 51 ASN N N 116.4 0.2 1 564 . 51 ASN ND2 N 112.3 0.2 1 565 . 52 PHE H H 7.81 0.02 1 566 . 52 PHE HA H 4.48 0.02 1 567 . 52 PHE HB2 H 3.43 0.02 2 568 . 52 PHE HB3 H 3.52 0.02 2 569 . 52 PHE HD1 H 7.24 0.02 3 570 . 52 PHE HE1 H 7.12 0.02 3 571 . 52 PHE HZ H 7.36 0.02 1 572 . 52 PHE C C 177.1 0.2 1 573 . 52 PHE CA C 61.3 0.2 1 574 . 52 PHE CB C 39.0 0.2 1 575 . 52 PHE CD1 C 131.7 0.2 3 576 . 52 PHE CE1 C 130.1 0.2 3 577 . 52 PHE CZ C 128.4 0.2 1 578 . 52 PHE N N 121.7 0.2 1 579 . 53 LEU H H 8.60 0.02 1 580 . 53 LEU HA H 3.74 0.02 1 581 . 53 LEU HB2 H 1.26 0.02 2 582 . 53 LEU HB3 H 2.00 0.02 2 583 . 53 LEU HG H 1.75 0.02 1 584 . 53 LEU HD1 H 0.67 0.02 1 585 . 53 LEU HD2 H 0.73 0.02 1 586 . 53 LEU C C 178.8 0.2 1 587 . 53 LEU CA C 57.8 0.2 1 588 . 53 LEU CB C 41.7 0.2 1 589 . 53 LEU CG C 28.1 0.2 1 590 . 53 LEU CD1 C 27.5 0.2 1 591 . 53 LEU CD2 C 24.2 0.2 1 592 . 53 LEU N N 121.3 0.2 1 593 . 54 ARG H H 7.84 0.02 1 594 . 54 ARG HA H 3.87 0.02 1 595 . 54 ARG HB2 H 1.84 0.02 2 596 . 54 ARG HB3 H 1.91 0.02 2 597 . 54 ARG HG2 H 1.38 0.02 2 598 . 54 ARG HG3 H 1.66 0.02 2 599 . 54 ARG HD2 H 1.84 0.02 2 600 . 54 ARG HD3 H 2.18 0.02 2 601 . 54 ARG C C 179.4 0.2 1 602 . 54 ARG CA C 60.7 0.2 1 603 . 54 ARG CB C 28.6 0.2 1 604 . 54 ARG CG C 27.7 0.2 1 605 . 54 ARG CD C 41.0 0.2 1 606 . 54 ARG N N 117.7 0.2 1 607 . 55 GLU H H 7.63 0.02 1 608 . 55 GLU HA H 4.08 0.02 1 609 . 55 GLU HB2 H 2.09 0.02 2 610 . 55 GLU HB3 H 2.23 0.02 2 611 . 55 GLU HG2 H 2.27 0.02 2 612 . 55 GLU HG3 H 2.50 0.02 2 613 . 55 GLU C C 179.1 0.2 1 614 . 55 GLU CA C 59.5 0.2 1 615 . 55 GLU CB C 29.6 0.2 1 616 . 55 GLU CG C 36.5 0.2 1 617 . 55 GLU N N 120.8 0.2 1 618 . 56 TYR H H 8.95 0.02 1 619 . 56 TYR HA H 4.01 0.02 1 620 . 56 TYR HB2 H 2.36 0.02 2 621 . 56 TYR HB3 H 3.03 0.02 2 622 . 56 TYR HD1 H 7.10 0.02 3 623 . 56 TYR HE1 H 6.55 0.02 3 624 . 56 TYR C C 178.0 0.2 1 625 . 56 TYR CA C 62.1 0.2 1 626 . 56 TYR CB C 39.1 0.2 1 627 . 56 TYR CD1 C 133.1 0.2 3 628 . 56 TYR CE1 C 117.9 0.2 3 629 . 56 TYR N N 124.1 0.2 1 630 . 57 TYR H H 9.03 0.02 1 631 . 57 TYR HA H 3.93 0.02 1 632 . 57 TYR HB2 H 2.96 0.02 2 633 . 57 TYR HB3 H 3.11 0.02 2 634 . 57 TYR HD1 H 6.83 0.02 3 635 . 57 TYR HE1 H 6.59 0.02 3 636 . 57 TYR C C 178.6 0.2 1 637 . 57 TYR CA C 62.5 0.2 1 638 . 57 TYR CB C 39.4 0.2 1 639 . 57 TYR CD1 C 133.4 0.2 3 640 . 57 TYR CE1 C 117.6 0.2 3 641 . 57 TYR N N 120.2 0.2 1 642 . 58 GLU H H 7.92 0.02 1 643 . 58 GLU HA H 3.91 0.02 1 644 . 58 GLU HB2 H 2.08 0.02 2 645 . 58 GLU HB3 H 2.21 0.02 2 646 . 58 GLU HG2 H 2.30 0.02 2 647 . 58 GLU HG3 H 2.40 0.02 2 648 . 58 GLU C C 177.4 0.2 1 649 . 58 GLU CA C 59.7 0.2 1 650 . 58 GLU CB C 29.3 0.2 1 651 . 58 GLU CG C 36.1 0.2 1 652 . 58 GLU N N 119.0 0.2 1 653 . 59 GLU H H 7.27 0.02 1 654 . 59 GLU HA H 3.89 0.02 1 655 . 59 GLU HB2 H 1.34 0.02 2 656 . 59 GLU HB3 H 1.67 0.02 2 657 . 59 GLU HG2 H 1.16 0.02 2 658 . 59 GLU HG3 H 1.54 0.02 2 659 . 59 GLU C C 177.8 0.2 1 660 . 59 GLU CA C 58.6 0.2 1 661 . 59 GLU CB C 30.2 0.2 1 662 . 59 GLU CG C 34.9 0.2 1 663 . 59 GLU N N 116.9 0.2 1 664 . 60 TYR H H 8.39 0.02 1 665 . 60 TYR HA H 4.27 0.02 1 666 . 60 TYR HB2 H 2.18 0.02 2 667 . 60 TYR HB3 H 2.87 0.02 2 668 . 60 TYR HD1 H 6.43 0.02 3 669 . 60 TYR HE1 H 6.55 0.02 3 670 . 60 TYR C C 176.1 0.2 1 671 . 60 TYR CA C 59.7 0.2 1 672 . 60 TYR CB C 39.9 0.2 1 673 . 60 TYR CD1 C 133.0 0.2 3 674 . 60 TYR CE1 C 117.8 0.2 3 675 . 60 TYR N N 114.7 0.2 1 676 . 61 GLN H H 8.80 0.02 1 677 . 61 GLN HA H 2.47 0.02 1 678 . 61 GLN HB2 H 2.02 0.02 2 679 . 61 GLN HB3 H 2.06 0.02 2 680 . 61 GLN HG2 H 1.97 0.02 2 681 . 61 GLN HG3 H 2.03 0.02 2 682 . 61 GLN HE21 H 6.69 0.02 2 683 . 61 GLN HE22 H 7.13 0.02 2 684 . 61 GLN C C 173.4 0.2 1 685 . 61 GLN CA C 56.4 0.2 1 686 . 61 GLN CB C 26.0 0.2 1 687 . 61 GLN CG C 34.4 0.2 1 688 . 61 GLN CD C 180.9 0.2 1 689 . 61 GLN N N 114.8 0.2 1 690 . 61 GLN NE2 N 113.9 0.2 1 691 . 62 ILE H H 6.56 0.02 1 692 . 62 ILE HA H 4.35 0.02 1 693 . 62 ILE HB H 1.66 0.02 1 694 . 62 ILE HG12 H 1.09 0.02 2 695 . 62 ILE HG13 H 1.51 0.02 2 696 . 62 ILE HG2 H 0.86 0.02 1 697 . 62 ILE HD1 H 0.90 0.02 1 698 . 62 ILE C C 173.7 0.2 1 699 . 62 ILE CA C 59.3 0.2 1 700 . 62 ILE CB C 43.2 0.2 1 701 . 62 ILE CG1 C 27.2 0.2 1 702 . 62 ILE CG2 C 17.6 0.2 1 703 . 62 ILE CD1 C 13.7 0.2 1 704 . 62 ILE N N 114.1 0.2 1 705 . 63 ALA H H 8.60 0.02 1 706 . 63 ALA HA H 4.87 0.02 1 707 . 63 ALA HB H 1.31 0.02 1 708 . 63 ALA CA C 48.5 0.2 1 709 . 63 ALA CB C 19.3 0.2 1 710 . 63 ALA N N 128.5 0.2 1 711 . 64 PRO HA H 4.29 0.02 1 712 . 64 PRO HB2 H 1.51 0.02 2 713 . 64 PRO HB3 H 1.58 0.02 2 714 . 64 PRO HG2 H 0.96 0.02 2 715 . 64 PRO HG3 H 1.72 0.02 2 716 . 64 PRO HD2 H 3.49 0.02 2 717 . 64 PRO HD3 H 3.94 0.02 2 718 . 64 PRO C C 174.2 0.2 1 719 . 64 PRO CA C 62.5 0.2 1 720 . 64 PRO CB C 31.0 0.2 1 721 . 64 PRO CG C 26.6 0.2 1 722 . 64 PRO CD C 49.8 0.2 1 723 . 65 ALA H H 7.68 0.02 1 724 . 65 ALA HA H 4.23 0.02 1 725 . 65 ALA HB H 1.49 0.02 1 726 . 65 ALA C C 179.3 0.2 1 727 . 65 ALA CA C 51.0 0.2 1 728 . 65 ALA CB C 19.6 0.2 1 729 . 65 ALA N N 118.8 0.2 1 730 . 66 VAL H H 8.66 0.02 1 731 . 66 VAL HA H 3.65 0.02 1 732 . 66 VAL HB H 2.50 0.02 1 733 . 66 VAL HG1 H 1.12 0.02 1 734 . 66 VAL HG2 H 1.06 0.02 1 735 . 66 VAL C C 177.1 0.2 1 736 . 66 VAL CA C 67.8 0.2 1 737 . 66 VAL CB C 31.4 0.2 1 738 . 66 VAL CG1 C 19.8 0.2 1 739 . 66 VAL CG2 C 23.2 0.2 1 740 . 66 VAL N N 120.0 0.2 1 741 . 67 ARG H H 8.83 0.02 1 742 . 67 ARG HA H 4.22 0.02 1 743 . 67 ARG HB2 H 1.87 0.02 2 744 . 67 ARG HB3 H 1.96 0.02 2 745 . 67 ARG HG2 H 1.68 0.02 2 746 . 67 ARG HG3 H 1.77 0.02 2 747 . 67 ARG HD2 H 3.26 0.02 2 748 . 67 ARG HD3 H 3.28 0.02 2 749 . 67 ARG C C 178.6 0.2 1 750 . 67 ARG CA C 60.0 0.2 1 751 . 67 ARG CB C 29.9 0.2 1 752 . 67 ARG CG C 27.8 0.2 1 753 . 67 ARG CD C 43.3 0.2 1 754 . 67 ARG N N 122.5 0.2 1 755 . 68 VAL H H 7.09 0.02 1 756 . 68 VAL HA H 3.67 0.02 1 757 . 68 VAL HB H 2.04 0.02 1 758 . 68 VAL HG1 H 0.89 0.02 1 759 . 68 VAL HG2 H 1.04 0.02 1 760 . 68 VAL C C 178.3 0.2 1 761 . 68 VAL CA C 65.6 0.2 1 762 . 68 VAL CB C 32.3 0.2 1 763 . 68 VAL CG1 C 21.4 0.2 1 764 . 68 VAL CG2 C 22.6 0.2 1 765 . 68 VAL N N 120.0 0.2 1 766 . 69 LEU H H 8.63 0.02 1 767 . 69 LEU HA H 3.67 0.02 1 768 . 69 LEU HB2 H 1.25 0.02 2 769 . 69 LEU HB3 H 1.80 0.02 2 770 . 69 LEU HG H 1.37 0.02 1 771 . 69 LEU HD1 H 0.76 0.02 1 772 . 69 LEU HD2 H 0.64 0.02 1 773 . 69 LEU C C 177.6 0.2 1 774 . 69 LEU CA C 58.6 0.2 1 775 . 69 LEU CB C 42.4 0.2 1 776 . 69 LEU CG C 27.3 0.2 1 777 . 69 LEU CD1 C 24.7 0.2 1 778 . 69 LEU CD2 C 25.7 0.2 1 779 . 69 LEU N N 121.0 0.2 1 780 . 70 THR H H 8.48 0.02 1 781 . 70 THR HA H 3.50 0.02 1 782 . 70 THR HB H 4.13 0.02 1 783 . 70 THR HG2 H 1.12 0.02 1 784 . 70 THR C C 176.1 0.2 1 785 . 70 THR CA C 67.2 0.2 1 786 . 70 THR CB C 68.1 0.2 1 787 . 70 THR CG2 C 21.1 0.2 1 788 . 70 THR N N 112.7 0.2 1 789 . 71 LYS H H 7.10 0.02 1 790 . 71 LYS HA H 4.11 0.02 1 791 . 71 LYS HB2 H 1.88 0.02 2 792 . 71 LYS HB3 H 2.00 0.02 2 793 . 71 LYS HG2 H 1.51 0.02 2 794 . 71 LYS HG3 H 1.62 0.02 2 795 . 71 LYS HD2 H 1.75 0.02 2 796 . 71 LYS HD3 H 1.77 0.02 2 797 . 71 LYS HE2 H 3.05 0.02 2 798 . 71 LYS HE3 H 3.07 0.02 2 799 . 71 LYS C C 179.1 0.2 1 800 . 71 LYS CA C 59.0 0.2 1 801 . 71 LYS CB C 32.6 0.2 1 802 . 71 LYS CG C 25.1 0.2 1 803 . 71 LYS CD C 29.3 0.2 1 804 . 71 LYS N N 120.1 0.2 1 805 . 72 ALA H H 8.21 0.02 1 806 . 72 ALA HA H 4.25 0.02 1 807 . 72 ALA HB H 1.59 0.02 1 808 . 72 ALA C C 180.7 0.2 1 809 . 72 ALA CA C 55.4 0.2 1 810 . 72 ALA CB C 18.4 0.2 1 811 . 72 ALA N N 122.7 0.2 1 812 . 73 VAL H H 8.75 0.02 1 813 . 73 VAL HA H 2.98 0.02 1 814 . 73 VAL HB H 1.98 0.02 1 815 . 73 VAL HG1 H 0.66 0.02 1 816 . 73 VAL HG2 H 0.67 0.02 1 817 . 73 VAL C C 178.1 0.2 1 818 . 73 VAL CA C 66.2 0.2 1 819 . 73 VAL CB C 31.4 0.2 1 820 . 73 VAL CG1 C 21.8 0.2 1 821 . 73 VAL CG2 C 24.1 0.2 1 822 . 73 VAL N N 119.2 0.2 1 823 . 74 GLY H H 7.98 0.02 1 824 . 74 GLY HA2 H 3.82 0.02 2 825 . 74 GLY HA3 H 3.83 0.02 2 826 . 74 GLY C C 176.0 0.2 1 827 . 74 GLY CA C 46.3 0.2 1 828 . 74 GLY N N 106.9 0.2 1 829 . 75 LYS H H 7.57 0.02 1 830 . 75 LYS HA H 4.12 0.02 1 831 . 75 LYS HB2 H 1.96 0.02 2 832 . 75 LYS HB3 H 2.02 0.02 2 833 . 75 LYS HG2 H 1.55 0.02 2 834 . 75 LYS HG3 H 1.65 0.02 2 835 . 75 LYS HD2 H 1.77 0.02 2 836 . 75 LYS HD3 H 1.82 0.02 2 837 . 75 LYS HE2 H 3.04 0.02 2 838 . 75 LYS HE3 H 3.06 0.02 2 839 . 75 LYS C C 177.6 0.2 1 840 . 75 LYS CA C 58.7 0.2 1 841 . 75 LYS CB C 32.9 0.2 1 842 . 75 LYS CG C 25.0 0.2 1 843 . 75 LYS CD C 29.1 0.2 1 844 . 75 LYS CE C 42.5 0.2 1 845 . 75 LYS N N 119.6 0.2 1 846 . 76 LYS H H 7.51 0.02 1 847 . 76 LYS HA H 4.43 0.02 1 848 . 76 LYS HB2 H 1.91 0.02 2 849 . 76 LYS HB3 H 1.76 0.02 2 850 . 76 LYS HG2 H 1.55 0.02 2 851 . 76 LYS HG3 H 1.57 0.02 2 852 . 76 LYS HD2 H 1.81 0.02 2 853 . 76 LYS HD3 H 1.89 0.02 2 854 . 76 LYS C C 177.4 0.2 1 855 . 76 LYS CA C 57.8 0.2 1 856 . 76 LYS CB C 34.5 0.2 1 857 . 76 LYS CG C 25.1 0.2 1 858 . 76 LYS CD C 29.0 0.2 1 859 . 76 LYS N N 116.9 0.2 1 860 . 77 LEU H H 8.86 0.02 1 861 . 77 LEU HA H 4.55 0.02 1 862 . 77 LEU HB2 H 1.57 0.02 2 863 . 77 LEU HB3 H 1.65 0.02 2 864 . 77 LEU HG H 1.47 0.02 1 865 . 77 LEU HD1 H 0.83 0.02 1 866 . 77 LEU HD2 H 0.94 0.02 1 867 . 77 LEU C C 177.4 0.2 1 868 . 77 LEU CA C 55.0 0.2 1 869 . 77 LEU CB C 42.9 0.2 1 870 . 77 LEU CG C 27.6 0.2 1 871 . 77 LEU CD1 C 25.7 0.2 1 872 . 77 LEU CD2 C 22.9 0.2 1 873 . 77 LEU N N 116.0 0.2 1 874 . 78 GLY H H 7.22 0.02 1 875 . 78 GLY HA2 H 3.84 0.02 2 876 . 78 GLY HA3 H 4.58 0.02 2 877 . 78 GLY CA C 45.0 0.2 1 878 . 78 GLY N N 109.0 0.2 1 879 . 79 LYS HA H 3.92 0.02 1 880 . 79 LYS HB2 H 1.73 0.02 2 881 . 79 LYS HB3 H 1.88 0.02 2 882 . 79 LYS HG2 H 1.48 0.02 2 883 . 79 LYS HG3 H 1.50 0.02 2 884 . 79 LYS C C 178.3 0.2 1 885 . 79 LYS CA C 59.6 0.2 1 886 . 79 LYS CB C 32.4 0.2 1 887 . 79 LYS CG C 24.9 0.2 1 888 . 79 LYS CD C 29.3 0.2 1 889 . 79 LYS CE C 42.3 0.2 1 890 . 80 GLU H H 9.18 0.02 1 891 . 80 GLU HA H 4.03 0.02 1 892 . 80 GLU HB2 H 1.84 0.02 2 893 . 80 GLU HB3 H 1.97 0.02 2 894 . 80 GLU HG2 H 2.20 0.02 2 895 . 80 GLU HG3 H 2.28 0.02 2 896 . 80 GLU C C 173.3 0.2 1 897 . 80 GLU CA C 59.0 0.2 1 898 . 80 GLU CB C 28.2 0.2 1 899 . 80 GLU CG C 36.5 0.2 1 900 . 80 GLU N N 118.9 0.2 1 901 . 81 LYS H H 7.30 0.02 1 902 . 81 LYS HA H 3.84 0.02 1 903 . 81 LYS HB2 H 1.29 0.02 2 904 . 81 LYS HB3 H 1.40 0.02 2 905 . 81 LYS HG2 H 0.44 0.02 2 906 . 81 LYS HG3 H 1.02 0.02 2 907 . 81 LYS HD2 H 1.28 0.02 2 908 . 81 LYS HD3 H 1.30 0.02 2 909 . 81 LYS HE2 H 2.85 0.02 2 910 . 81 LYS HE3 H 2.87 0.02 2 911 . 81 LYS C C 177.1 0.2 1 912 . 81 LYS CA C 56.1 0.2 1 913 . 81 LYS CB C 33.5 0.2 1 914 . 81 LYS CG C 26.2 0.2 1 915 . 81 LYS CD C 29.7 0.2 1 916 . 81 LYS CE C 42.6 0.2 1 917 . 81 LYS N N 117.3 0.2 1 918 . 82 GLY H H 7.61 0.02 1 919 . 82 GLY HA2 H 3.15 0.02 2 920 . 82 GLY HA3 H 4.31 0.02 2 921 . 82 GLY C C 173.6 0.2 1 922 . 82 GLY CA C 46.7 0.2 1 923 . 82 GLY N N 104.5 0.2 1 924 . 83 ASN H H 7.89 0.02 1 925 . 83 ASN HA H 4.81 0.02 1 926 . 83 ASN HB2 H 2.87 0.02 2 927 . 83 ASN HB3 H 2.91 0.02 2 928 . 83 ASN HD21 H 6.55 0.02 2 929 . 83 ASN HD22 H 7.56 0.02 2 930 . 83 ASN CA C 52.9 0.2 1 931 . 83 ASN CB C 41.5 0.2 1 932 . 83 ASN CG C 176.0 0.2 1 933 . 83 ASN N N 117.0 0.2 1 934 . 83 ASN ND2 N 115.8 0.2 1 935 . 84 SER C C 175.5 0.2 1 936 . 84 SER CA C 62.8 0.2 1 937 . 85 LYS H H 8.37 0.02 1 938 . 85 LYS HA H 4.13 0.02 1 939 . 85 LYS HB2 H 1.91 0.02 2 940 . 85 LYS HB3 H 2.02 0.02 2 941 . 85 LYS HG2 H 1.48 0.02 2 942 . 85 LYS HG3 H 1.60 0.02 2 943 . 85 LYS HD2 H 1.75 0.02 2 944 . 85 LYS HD3 H 1.77 0.02 2 945 . 85 LYS HE2 H 3.04 0.02 2 946 . 85 LYS HE3 H 3.06 0.02 2 947 . 85 LYS C C 179.6 0.2 1 948 . 85 LYS CA C 60.2 0.2 1 949 . 85 LYS CB C 32.0 0.2 1 950 . 85 LYS CG C 29.3 0.2 1 951 . 85 LYS CD C 25.3 0.2 1 952 . 85 LYS CE C 42.4 0.2 1 953 . 85 LYS N N 122.6 0.2 1 954 . 86 TYR H H 8.33 0.02 1 955 . 86 TYR HA H 4.26 0.02 1 956 . 86 TYR HB2 H 3.04 0.02 2 957 . 86 TYR HB3 H 3.30 0.02 2 958 . 86 TYR HD1 H 7.28 0.02 3 959 . 86 TYR HE1 H 6.71 0.02 3 960 . 86 TYR C C 179.1 0.2 1 961 . 86 TYR CA C 61.5 0.2 1 962 . 86 TYR CB C 38.7 0.2 1 963 . 86 TYR CD1 C 133.6 0.2 3 964 . 86 TYR CE1 C 117.8 0.2 3 965 . 86 TYR N N 120.4 0.2 1 966 . 87 LEU H H 8.16 0.02 1 967 . 87 LEU HA H 3.95 0.02 1 968 . 87 LEU HB2 H 1.97 0.02 2 969 . 87 LEU HB3 H 1.28 0.02 2 970 . 87 LEU HG H 2.34 0.02 1 971 . 87 LEU HD1 H 0.90 0.02 1 972 . 87 LEU HD2 H 1.03 0.02 1 973 . 87 LEU C C 179.6 0.2 1 974 . 87 LEU CA C 58.9 0.2 1 975 . 87 LEU CB C 41.9 0.2 1 976 . 87 LEU CG C 27.2 0.2 1 977 . 87 LEU CD1 C 26.9 0.2 1 978 . 87 LEU CD2 C 23.3 0.2 1 979 . 87 LEU N N 119.1 0.2 1 980 . 88 TYR H H 8.95 0.02 1 981 . 88 TYR HA H 4.26 0.02 1 982 . 88 TYR HB2 H 2.99 0.02 2 983 . 88 TYR HB3 H 3.12 0.02 2 984 . 88 TYR HD1 H 7.49 0.02 3 985 . 88 TYR HE1 H 6.88 0.02 3 986 . 88 TYR C C 177.9 0.2 1 987 . 88 TYR CA C 61.7 0.2 1 988 . 88 TYR CB C 38.0 0.2 1 989 . 88 TYR CD1 C 133.9 0.2 3 990 . 88 TYR CE1 C 118.2 0.2 3 991 . 88 TYR N N 118.2 0.2 1 992 . 89 SER H H 7.56 0.02 1 993 . 89 SER HA H 4.25 0.02 1 994 . 89 SER HB2 H 3.95 0.02 2 995 . 89 SER HB3 H 4.01 0.02 2 996 . 89 SER C C 175.5 0.2 1 997 . 89 SER CA C 61.1 0.2 1 998 . 89 SER CB C 62.5 0.2 1 999 . 89 SER N N 115.7 0.2 1 1000 . 90 LEU H H 6.72 0.02 1 1001 . 90 LEU HA H 3.87 0.02 1 1002 . 90 LEU HB2 H 0.08 0.02 2 1003 . 90 LEU HB3 H 1.47 0.02 2 1004 . 90 LEU HG H 0.83 0.02 1 1005 . 90 LEU HD1 H 0.31 0.02 1 1006 . 90 LEU HD2 H -0.12 0.02 1 1007 . 90 LEU C C 176.0 0.2 1 1008 . 90 LEU CA C 56.3 0.2 1 1009 . 90 LEU CB C 44.2 0.2 1 1010 . 90 LEU CG C 25.8 0.2 1 1011 . 90 LEU CD1 C 26.6 0.2 1 1012 . 90 LEU CD2 C 21.3 0.2 1 1013 . 90 LEU N N 120.5 0.2 1 1014 . 91 PHE H H 7.63 0.02 1 1015 . 91 PHE HA H 4.89 0.02 1 1016 . 91 PHE HB2 H 2.57 0.02 2 1017 . 91 PHE HB3 H 3.00 0.02 2 1018 . 91 PHE HD1 H 7.07 0.02 3 1019 . 91 PHE CA C 55.0 0.2 1 1020 . 91 PHE CB C 40.3 0.2 1 1021 . 91 PHE CD1 C 133.2 0.2 3 1022 . 91 PHE N N 114.8 0.2 1 1023 . 92 PRO HA H 4.81 0.02 1 1024 . 92 PRO HB2 H 1.76 0.02 2 1025 . 92 PRO HB3 H 2.44 0.02 2 1026 . 92 PRO HG2 H 1.82 0.02 2 1027 . 92 PRO HG3 H 1.92 0.02 2 1028 . 92 PRO HD2 H 3.54 0.02 2 1029 . 92 PRO HD3 H 3.69 0.02 2 1030 . 92 PRO C C 179.1 0.2 1 1031 . 92 PRO CA C 64.5 0.2 1 1032 . 92 PRO CB C 32.8 0.2 1 1033 . 92 PRO CG C 27.0 0.2 1 1034 . 92 PRO CD C 50.7 0.2 1 1035 . 93 TYR H H 8.08 0.02 1 1036 . 93 TYR HA H 5.03 0.02 1 1037 . 93 TYR HB2 H 2.57 0.02 2 1038 . 93 TYR HB3 H 3.43 0.02 2 1039 . 93 TYR HD1 H 7.09 0.02 3 1040 . 93 TYR HE1 H 6.96 0.02 3 1041 . 93 TYR C C 175.9 0.2 1 1042 . 93 TYR CA C 55.3 0.2 1 1043 . 93 TYR CB C 36.4 0.2 1 1044 . 93 TYR CD1 C 131.7 0.2 3 1045 . 93 TYR CE1 C 118.5 0.2 3 1046 . 93 TYR N N 114.7 0.2 1 1047 . 94 GLY H H 7.94 0.02 1 1048 . 94 GLY HA2 H 3.61 0.02 2 1049 . 94 GLY HA3 H 4.57 0.02 2 1050 . 94 GLY CA C 44.6 0.2 1 1051 . 94 GLY N N 110.2 0.2 1 1052 . 95 PRO HA H 3.93 0.02 1 1053 . 95 PRO HB2 H 1.58 0.02 2 1054 . 95 PRO HB3 H 1.97 0.02 2 1055 . 95 PRO HG2 H 1.52 0.02 2 1056 . 95 PRO HG3 H 1.56 0.02 2 1057 . 95 PRO HD2 H 2.70 0.02 2 1058 . 95 PRO HD3 H 3.28 0.02 2 1059 . 95 PRO C C 176.2 0.2 1 1060 . 95 PRO CA C 65.3 0.2 1 1061 . 95 PRO CB C 32.9 0.2 1 1062 . 95 PRO CG C 27.7 0.2 1 1063 . 95 PRO CD C 50.1 0.2 1 1064 . 96 ALA H H 7.87 0.02 1 1065 . 96 ALA HA H 4.05 0.02 1 1066 . 96 ALA HB H 1.47 0.02 1 1067 . 96 ALA C C 179.0 0.2 1 1068 . 96 ALA CA C 54.6 0.2 1 1069 . 96 ALA CB C 18.9 0.2 1 1070 . 96 ALA N N 117.0 0.2 1 1071 . 97 LYS H H 8.36 0.02 1 1072 . 97 LYS HA H 3.70 0.02 1 1073 . 97 LYS HB2 H 1.83 0.02 2 1074 . 97 LYS HB3 H 1.86 0.02 2 1075 . 97 LYS HG2 H 1.43 0.02 2 1076 . 97 LYS HG3 H 1.78 0.02 2 1077 . 97 LYS HD2 H 1.85 0.02 2 1078 . 97 LYS HD3 H 1.87 0.02 2 1079 . 97 LYS HE2 H 3.11 0.02 2 1080 . 97 LYS HE3 H 3.13 0.02 2 1081 . 97 LYS C C 178.8 0.2 1 1082 . 97 LYS CA C 60.8 0.2 1 1083 . 97 LYS CB C 33.0 0.2 1 1084 . 97 LYS CG C 29.6 0.2 1 1085 . 97 LYS CD C 26.1 0.2 1 1086 . 97 LYS CE C 42.1 0.2 1 1087 . 97 LYS N N 119.1 0.2 1 1088 . 98 GLN H H 8.68 0.02 1 1089 . 98 GLN HA H 3.84 0.02 1 1090 . 98 GLN HB2 H 1.72 0.02 2 1091 . 98 GLN HB3 H 1.60 0.02 2 1092 . 98 GLN HG2 H 1.56 0.02 2 1093 . 98 GLN HG3 H 2.10 0.02 2 1094 . 98 GLN HE21 H 6.34 0.02 2 1095 . 98 GLN HE22 H 8.61 0.02 2 1096 . 98 GLN C C 175.9 0.2 1 1097 . 98 GLN CA C 58.6 0.2 1 1098 . 98 GLN CB C 30.8 0.2 1 1099 . 98 GLN CG C 35.1 0.2 1 1100 . 98 GLN CD C 178.6 0.2 1 1101 . 98 GLN N N 118.7 0.2 1 1102 . 98 GLN NE2 N 113.5 0.2 1 1103 . 99 ALA H H 6.79 0.02 1 1104 . 99 ALA HA H 3.13 0.02 1 1105 . 99 ALA HB H 0.28 0.02 1 1106 . 99 ALA C C 179.6 0.2 1 1107 . 99 ALA CA C 56.2 0.2 1 1108 . 99 ALA CB C 17.3 0.2 1 1109 . 99 ALA N N 118.0 0.2 1 1110 . 100 CYS H H 7.63 0.02 1 1111 . 100 CYS HA H 3.81 0.02 1 1112 . 100 CYS HB2 H 2.79 0.02 2 1113 . 100 CYS HB3 H 3.12 0.02 2 1114 . 100 CYS C C 175.5 0.2 1 1115 . 100 CYS CA C 65.3 0.2 1 1116 . 100 CYS CB C 26.8 0.2 1 1117 . 100 CYS N N 110.6 0.2 1 1118 . 101 ARG H H 6.65 0.02 1 1119 . 101 ARG HA H 3.76 0.02 1 1120 . 101 ARG HB2 H 1.20 0.02 2 1121 . 101 ARG HB3 H 1.94 0.02 2 1122 . 101 ARG HG2 H -0.05 0.02 2 1123 . 101 ARG HG3 H 1.69 0.02 2 1124 . 101 ARG HD2 H 2.20 0.02 2 1125 . 101 ARG HD3 H 2.84 0.02 2 1126 . 101 ARG HE H 8.21 0.02 1 1127 . 101 ARG C C 180.4 0.2 1 1128 . 101 ARG CA C 60.1 0.2 1 1129 . 101 ARG CB C 31.8 0.2 1 1130 . 101 ARG CG C 28.5 0.2 1 1131 . 101 ARG CD C 44.3 0.2 1 1132 . 101 ARG N N 119.6 0.2 1 1133 . 101 ARG NE N 84.2 0.2 1 1134 . 102 PHE H H 7.90 0.02 1 1135 . 102 PHE HA H 5.08 0.02 1 1136 . 102 PHE HB2 H 3.14 0.02 2 1137 . 102 PHE HB3 H 3.19 0.02 2 1138 . 102 PHE HD1 H 7.06 0.02 3 1139 . 102 PHE HE1 H 7.22 0.02 3 1140 . 102 PHE HZ H 7.42 0.02 1 1141 . 102 PHE C C 176.6 0.2 1 1142 . 102 PHE CA C 56.9 0.2 1 1143 . 102 PHE CB C 37.9 0.2 1 1144 . 102 PHE CD1 C 129.8 0.2 3 1145 . 102 PHE CE1 C 131.0 0.2 3 1146 . 102 PHE CZ C 129.1 0.2 1 1147 . 102 PHE N N 116.9 0.2 1 1148 . 103 ALA H H 7.87 0.02 1 1149 . 103 ALA HA H 3.90 0.02 1 1150 . 103 ALA HB H 1.29 0.02 1 1151 . 103 ALA C C 174.3 0.2 1 1152 . 103 ALA CA C 51.7 0.2 1 1153 . 103 ALA CB C 20.8 0.2 1 1154 . 103 ALA N N 116.6 0.2 1 1155 . 104 GLY H H 7.91 0.02 1 1156 . 104 GLY HA2 H 3.74 0.02 2 1157 . 104 GLY HA3 H 3.86 0.02 2 1158 . 104 GLY C C 172.9 0.2 1 1159 . 104 GLY CA C 47.6 0.2 1 1160 . 104 GLY N N 103.8 0.2 1 1161 . 105 LEU H H 7.75 0.02 1 1162 . 105 LEU HA H 4.09 0.02 1 1163 . 105 LEU HB2 H 1.41 0.02 2 1164 . 105 LEU HB3 H 1.46 0.02 2 1165 . 105 LEU HG H 1.23 0.02 1 1166 . 105 LEU HD1 H 0.66 0.02 1 1167 . 105 LEU HD2 H 0.51 0.02 1 1168 . 105 LEU CA C 52.8 0.2 1 1169 . 105 LEU CB C 41.6 0.2 1 1170 . 105 LEU CG C 28.6 0.2 1 1171 . 105 LEU CD1 C 25.0 0.2 1 1172 . 105 LEU CD2 C 23.9 0.2 1 1173 . 105 LEU N N 120.2 0.2 1 1174 . 106 PRO HA H 4.40 0.02 1 1175 . 106 PRO HB2 H 1.71 0.02 2 1176 . 106 PRO HB3 H 2.21 0.02 2 1177 . 106 PRO HG2 H 1.92 0.02 2 1178 . 106 PRO HG3 H 1.96 0.02 2 1179 . 106 PRO HD2 H 2.97 0.02 2 1180 . 106 PRO HD3 H 3.11 0.02 2 1181 . 106 PRO C C 176.0 0.2 1 1182 . 106 PRO CA C 61.4 0.2 1 1183 . 106 PRO CB C 32.1 0.2 1 1184 . 106 PRO CG C 27.3 0.2 1 1185 . 106 PRO CD C 49.8 0.2 1 1186 . 107 LYS H H 7.28 0.02 1 1187 . 107 LYS HA H 3.51 0.02 1 1188 . 107 LYS HB2 H 0.31 0.02 2 1189 . 107 LYS HB3 H 1.05 0.02 2 1190 . 107 LYS HG2 H 1.06 0.02 2 1191 . 107 LYS HG3 H 1.15 0.02 2 1192 . 107 LYS HD2 H 1.37 0.02 2 1193 . 107 LYS HD3 H 1.47 0.02 2 1194 . 107 LYS HE2 H 2.82 0.02 2 1195 . 107 LYS HE3 H 2.77 0.02 2 1196 . 107 LYS CA C 54.7 0.2 1 1197 . 107 LYS CB C 32.8 0.2 1 1198 . 107 LYS CG C 23.9 0.2 1 1199 . 107 LYS CD C 29.9 0.2 1 1200 . 107 LYS CE C 42.1 0.2 1 1201 . 107 LYS N N 117.4 0.2 1 1202 . 108 PRO HA H 4.39 0.02 1 1203 . 108 PRO HB2 H 1.67 0.02 2 1204 . 108 PRO HB3 H 1.98 0.02 2 1205 . 108 PRO HG2 H 1.73 0.02 2 1206 . 108 PRO HG3 H 1.79 0.02 2 1207 . 108 PRO HD2 H 3.43 0.02 2 1208 . 108 PRO HD3 H 3.79 0.02 2 1209 . 108 PRO C C 177.0 0.2 1 1210 . 108 PRO CA C 62.9 0.2 1 1211 . 108 PRO CB C 31.9 0.2 1 1212 . 108 PRO CG C 27.9 0.2 1 1213 . 108 PRO CD C 50.7 0.2 1 1214 . 109 THR H H 8.40 0.02 1 1215 . 109 THR HA H 4.26 0.02 1 1216 . 109 THR HB H 4.24 0.02 1 1217 . 109 THR HG2 H 1.27 0.02 1 1218 . 109 THR CA C 62.6 0.2 1 1219 . 109 THR CB C 70.0 0.2 1 1220 . 109 THR CG2 C 21.5 0.2 1 1221 . 109 THR N N 116.2 0.2 1 1222 . 111 CYS HA H 4.62 0.02 1 1223 . 111 CYS HB2 H 2.92 0.02 2 1224 . 111 CYS HB3 H 2.98 0.02 2 1225 . 111 CYS C C 175.3 0.2 1 1226 . 111 CYS CA C 58.8 0.2 1 1227 . 111 CYS CB C 28.7 0.2 1 1228 . 112 VAL H H 7.90 0.02 1 1229 . 112 VAL HA H 4.07 0.02 1 1230 . 112 VAL HB H 2.13 0.02 1 1231 . 112 VAL HG1 H 0.93 0.02 2 1232 . 112 VAL HG2 H 0.95 0.02 2 1233 . 112 VAL CA C 64.0 0.2 1 1234 . 112 VAL CB C 33.4 0.2 1 1235 . 112 VAL CG1 C 20.5 0.2 2 1236 . 112 VAL CG2 C 21.8 0.2 2 1237 . 112 VAL N N 126.2 0.2 1 stop_ save_