data_15950 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of E.Coli SlyD ; _BMRB_accession_number 15950 _BMRB_flat_file_name bmr15950.str _Entry_type original _Submission_date 2008-09-11 _Accession_date 2008-09-11 _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 Weininger Ulrich . . 2 Balbach Jochen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 892 "13C chemical shifts" 676 "15N chemical shifts" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity name' 2009-04-27 update BMRB 'complete entry citation' 2009-04-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Solution Structure of SlyD from Escherichia coli: Spatial Separation of Prolyl Isomerase and Chaperone Function ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19356587 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Weininger Ulrich . . 2 Haupt Caroline . . 3 Schweimer Kristian . . 4 Graubner Wenke . . 5 Kovermann Michael . . 6 Bruser Thomas . . 7 Scholz Christian . . 8 Schaarschmidt Peter . . 9 Zoldak Gabriel . . 10 Schmid Franz X. . 11 Balbach Jochen . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 387 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 295 _Page_last 305 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'E.Coli SlyD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label METHIONINE $entity_2 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_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common METHIONINE _Molecular_mass 149.207 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; MKVAKDLVVSLAYQVRTEDG VLVDESPVSAPLDYLHGHGS LISGLETALEGHEVGDKFDV AVGANDAYGQYDENLVQRVP KDVFMGVDELQVGMRFLAET DQGPVPVEITAVEDDHVVVD GNHMLAGQNLKFNVEVVAIR EATEEELAHGHVHGAHDHHH DHDHDHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 VAL 4 ALA 5 LYS 6 ASP 7 LEU 8 VAL 9 VAL 10 SER 11 LEU 12 ALA 13 TYR 14 GLN 15 VAL 16 ARG 17 THR 18 GLU 19 ASP 20 GLY 21 VAL 22 LEU 23 VAL 24 ASP 25 GLU 26 SER 27 PRO 28 VAL 29 SER 30 ALA 31 PRO 32 LEU 33 ASP 34 TYR 35 LEU 36 HIS 37 GLY 38 HIS 39 GLY 40 SER 41 LEU 42 ILE 43 SER 44 GLY 45 LEU 46 GLU 47 THR 48 ALA 49 LEU 50 GLU 51 GLY 52 HIS 53 GLU 54 VAL 55 GLY 56 ASP 57 LYS 58 PHE 59 ASP 60 VAL 61 ALA 62 VAL 63 GLY 64 ALA 65 ASN 66 ASP 67 ALA 68 TYR 69 GLY 70 GLN 71 TYR 72 ASP 73 GLU 74 ASN 75 LEU 76 VAL 77 GLN 78 ARG 79 VAL 80 PRO 81 LYS 82 ASP 83 VAL 84 PHE 85 MET 86 GLY 87 VAL 88 ASP 89 GLU 90 LEU 91 GLN 92 VAL 93 GLY 94 MET 95 ARG 96 PHE 97 LEU 98 ALA 99 GLU 100 THR 101 ASP 102 GLN 103 GLY 104 PRO 105 VAL 106 PRO 107 VAL 108 GLU 109 ILE 110 THR 111 ALA 112 VAL 113 GLU 114 ASP 115 ASP 116 HIS 117 VAL 118 VAL 119 VAL 120 ASP 121 GLY 122 ASN 123 HIS 124 MET 125 LEU 126 ALA 127 GLY 128 GLN 129 ASN 130 LEU 131 LYS 132 PHE 133 ASN 134 VAL 135 GLU 136 VAL 137 VAL 138 ALA 139 ILE 140 ARG 141 GLU 142 ALA 143 THR 144 GLU 145 GLU 146 GLU 147 LEU 148 ALA 149 HIS 150 GLY 151 HIS 152 VAL 153 HIS 154 GLY 155 ALA 156 HIS 157 ASP 158 HIS 159 HIS 160 HIS 161 ASP 162 HIS 163 ASP 164 HIS 165 ASP 166 HIS 167 HIS 168 HIS 169 HIS 170 HIS 171 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16240 SlyD 96.49 196 100.00 100.00 5.72e-110 PDB 2K8I "Solution Structure Of E.Coli Slyd" 100.00 171 100.00 100.00 7.22e-115 PDB 2KFW "Solution Structure Of Full-Length Slyd From E.Coli" 96.49 196 100.00 100.00 5.72e-110 DBJ BAB37623 "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O157:H7 str. Sakai]" 96.49 196 100.00 100.00 5.72e-110 DBJ BAE77942 "FKBP-type peptidyl prolyl cis-trans isomerase [Escherichia coli str. K12 substr. W3110]" 96.49 196 100.00 100.00 5.72e-110 DBJ BAG79134 "peptidyl prolyl cis-trans isomerase [Escherichia coli SE11]" 96.49 196 100.00 100.00 5.72e-110 DBJ BAH65509 "FKBP-type peptidyl prolyl cis-trans isomerase [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 85.96 195 97.28 97.96 2.88e-94 DBJ BAI27607 "FKBP-type peptidyl prolyl cis-trans isomerase [Escherichia coli O26:H11 str. 11368]" 96.49 196 100.00 100.00 5.72e-110 EMBL CAA79705 "histidine rich protein [Escherichia coli]" 96.49 196 100.00 100.00 5.72e-110 EMBL CAD08158 "FKBP-type peptidyl-prolyl cis-trans isomerase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 96.49 196 98.18 98.18 1.73e-107 EMBL CAP77801 "FKBP-type peptidyl-prolyl cis-trans isomerase slyD [Escherichia coli LF82]" 96.49 196 100.00 100.00 5.72e-110 EMBL CAQ33668 "FKBP-type peptidyl prolyl cis-trans isomerase [Escherichia coli BL21(DE3)]" 96.49 196 100.00 100.00 5.72e-110 EMBL CAQ90798 "FKBP-type peptidyl prolyl cis-trans isomerase (rotamase) [Escherichia fergusonii ATCC 35469]" 92.40 196 98.10 99.37 1.95e-94 GB AAA18574 "sensitivity to lysis gene [Escherichia coli]" 96.49 196 100.00 100.00 5.72e-110 GB AAA58146 "histidine rich protein [Escherichia coli str. K-12 substr. MG1655]" 96.49 196 100.00 100.00 5.72e-110 GB AAC41458 "slyD [Escherichia coli]" 96.49 196 100.00 100.00 5.72e-110 GB AAC76374 "FKBP-type peptidyl prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" 96.49 196 100.00 100.00 5.72e-110 GB AAG58456 "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli O157:H7 str. EDL933]" 96.49 196 100.00 100.00 5.72e-110 PIR AB1004 "peptidylprolyl isomerase (EC 5.2.1.8) - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 96.49 196 98.18 98.18 1.73e-107 REF NP_312227 "FKBP-type peptidylprolyl isomerase [Escherichia coli O157:H7 str. Sakai]" 96.49 196 100.00 100.00 5.72e-110 REF NP_417808 "FKBP-type peptidyl prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" 96.49 196 100.00 100.00 5.72e-110 REF NP_458445 "FkbB-type peptidyl-prolyl cis-trans isomerase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 96.49 196 98.18 98.18 1.73e-107 REF NP_462359 "FKBP-type peptidyl-prolyl cis-trans isomerase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 96.49 196 98.18 98.18 2.48e-107 REF NP_709123 "FKBP-type peptidylprolyl isomerase [Shigella flexneri 2a str. 301]" 96.49 196 100.00 100.00 5.72e-110 SP P0A9K9 "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Histidine-rich protein; AltName: " 96.49 196 100.00 100.00 5.72e-110 SP P0A9L0 "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Metallochaperone SlyD" 96.49 196 100.00 100.00 5.72e-110 SP P0A9L1 "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Metallochaperone SlyD" 96.49 196 100.00 100.00 5.72e-110 SP P0A9L2 "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Metallochaperone SlyD" 96.49 196 100.00 100.00 5.72e-110 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_2 'E. coli' 562 Eubacteria . Escherichia coli 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 $entity_2 'recombinant technology' . Escherichia coli BL21 pET24a 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 $entity_2 1 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.4 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D C(CO)NH' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name METHIONINE _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 1 MET HA H 3.686 0.010 1 2 1 1 MET HB2 H 1.799 0.010 . 3 1 1 MET HB3 H 1.799 0.010 . 4 1 1 MET HE H 1.901 0.010 . 5 1 1 MET HG2 H 2.388 0.010 . 6 1 1 MET HG3 H 2.388 0.010 . 7 1 1 MET C C 173.018 0.010 1 8 1 1 MET CA C 55.867 0.010 1 9 1 1 MET CB C 35.319 0.010 1 10 1 1 MET CE C 16.997 0.010 1 11 1 1 MET CG C 31.636 0.010 1 12 2 2 LYS H H 7.540 0.010 1 13 2 2 LYS HA H 4.729 0.010 1 14 2 2 LYS HB2 H 1.329 0.010 . 15 2 2 LYS HB3 H 1.329 0.010 . 16 2 2 LYS HD2 H 1.488 0.010 . 17 2 2 LYS HD3 H 1.488 0.010 . 18 2 2 LYS HE2 H 2.822 0.010 . 19 2 2 LYS HE3 H 2.822 0.010 . 20 2 2 LYS HG2 H 1.096 0.010 2 21 2 2 LYS HG3 H 1.188 0.010 2 22 2 2 LYS C C 175.948 0.010 1 23 2 2 LYS CA C 53.978 0.010 1 24 2 2 LYS CB C 35.985 0.010 1 25 2 2 LYS CD C 29.357 0.010 1 26 2 2 LYS CE C 42.093 0.010 1 27 2 2 LYS CG C 25.076 0.010 1 28 2 2 LYS N N 120.764 0.010 1 29 3 3 VAL H H 8.738 0.010 1 30 3 3 VAL HA H 2.800 0.010 1 31 3 3 VAL HB H 2.000 0.010 1 32 3 3 VAL HG1 H 0.817 0.010 . 33 3 3 VAL HG2 H 0.001 0.010 . 34 3 3 VAL C C 175.018 0.010 1 35 3 3 VAL CA C 66.598 0.010 1 36 3 3 VAL CB C 31.218 0.010 1 37 3 3 VAL CG1 C 21.648 0.010 2 38 3 3 VAL CG2 C 21.588 0.010 2 39 3 3 VAL N N 120.055 0.010 1 40 4 4 ALA H H 6.584 0.010 1 41 4 4 ALA HA H 4.223 0.010 1 42 4 4 ALA HB H 1.247 0.010 . 43 4 4 ALA C C 174.117 0.010 1 44 4 4 ALA CA C 50.358 0.010 1 45 4 4 ALA CB C 22.137 0.010 1 46 4 4 ALA N N 129.800 0.010 1 47 5 5 LYS H H 8.596 0.010 1 48 5 5 LYS HA H 3.793 0.010 1 49 5 5 LYS HB2 H 1.708 0.010 2 50 5 5 LYS HB3 H 1.886 0.010 2 51 5 5 LYS HD2 H 1.661 0.010 2 52 5 5 LYS HD3 H 1.565 0.010 2 53 5 5 LYS HE2 H 2.758 0.010 . 54 5 5 LYS HE3 H 2.758 0.010 . 55 5 5 LYS HG2 H 1.347 0.010 2 56 5 5 LYS HG3 H 1.427 0.010 2 57 5 5 LYS C C 175.260 0.010 1 58 5 5 LYS CA C 57.700 0.010 1 59 5 5 LYS CB C 32.400 0.010 1 60 5 5 LYS CD C 29.543 0.010 1 61 5 5 LYS CE C 42.208 0.010 1 62 5 5 LYS CG C 25.032 0.010 1 63 5 5 LYS N N 118.708 0.010 1 64 6 6 ASP H H 8.679 0.010 1 65 6 6 ASP HA H 4.040 0.010 1 66 6 6 ASP HB2 H 2.975 0.010 2 67 6 6 ASP HB3 H 3.250 0.010 2 68 6 6 ASP C C 173.331 0.010 1 69 6 6 ASP CA C 57.508 0.010 1 70 6 6 ASP CB C 37.604 0.010 1 71 6 6 ASP N N 115.415 0.010 1 72 7 7 LEU H H 7.376 0.010 1 73 7 7 LEU HA H 4.689 0.010 1 74 7 7 LEU HB2 H 1.194 0.010 2 75 7 7 LEU HB3 H 1.546 0.010 2 76 7 7 LEU HD1 H 0.793 0.010 . 77 7 7 LEU HD2 H 0.730 0.010 . 78 7 7 LEU HG H 1.458 0.010 1 79 7 7 LEU C C 175.906 0.010 1 80 7 7 LEU CA C 53.509 0.010 1 81 7 7 LEU CB C 42.419 0.010 1 82 7 7 LEU CD1 C 27.598 0.010 2 83 7 7 LEU CD2 C 23.280 0.010 2 84 7 7 LEU CG C 26.706 0.010 1 85 7 7 LEU N N 117.619 0.010 1 86 8 8 VAL H H 8.646 0.010 1 87 8 8 VAL HA H 4.397 0.010 1 88 8 8 VAL HB H 1.623 0.010 1 89 8 8 VAL HG1 H 0.640 0.010 . 90 8 8 VAL HG2 H 0.511 0.010 . 91 8 8 VAL C C 175.244 0.010 1 92 8 8 VAL CA C 62.028 0.010 1 93 8 8 VAL CB C 31.515 0.010 1 94 8 8 VAL CG1 C 21.973 0.010 2 95 8 8 VAL CG2 C 20.504 0.010 2 96 8 8 VAL N N 121.164 0.010 1 97 9 9 VAL H H 8.607 0.010 1 98 9 9 VAL HA H 4.281 0.010 1 99 9 9 VAL HB H 1.936 0.010 1 100 9 9 VAL HG1 H 1.014 0.010 . 101 9 9 VAL HG2 H 0.776 0.010 . 102 9 9 VAL C C 174.156 0.010 1 103 9 9 VAL CA C 60.614 0.010 1 104 9 9 VAL CB C 33.985 0.010 1 105 9 9 VAL CG1 C 21.828 0.010 2 106 9 9 VAL CG2 C 22.260 0.010 2 107 9 9 VAL N N 134.014 0.010 1 108 10 10 SER H H 8.684 0.010 1 109 10 10 SER HA H 5.736 0.010 1 110 10 10 SER HB2 H 3.512 0.010 . 111 10 10 SER HB3 H 3.512 0.010 . 112 10 10 SER C C 173.544 0.010 1 113 10 10 SER CA C 56.533 0.010 1 114 10 10 SER CB C 63.385 0.010 1 115 10 10 SER N N 121.492 0.010 1 116 11 11 LEU H H 9.939 0.010 1 117 11 11 LEU HA H 5.133 0.010 1 118 11 11 LEU HB2 H 1.722 0.010 2 119 11 11 LEU HB3 H 1.754 0.010 2 120 11 11 LEU HD1 H 0.757 0.010 . 121 11 11 LEU HD2 H 0.744 0.010 . 122 11 11 LEU HG H 1.757 0.010 1 123 11 11 LEU C C 174.843 0.010 1 124 11 11 LEU CA C 53.770 0.010 1 125 11 11 LEU CB C 47.469 0.010 1 126 11 11 LEU CD1 C 25.178 0.010 2 127 11 11 LEU CD2 C 25.574 0.010 2 128 11 11 LEU CG C 26.917 0.010 1 129 11 11 LEU N N 128.460 0.010 1 130 12 12 ALA H H 8.770 0.010 1 131 12 12 ALA HA H 4.830 0.010 1 132 12 12 ALA HB H 1.148 0.010 . 133 12 12 ALA C C 176.974 0.010 1 134 12 12 ALA CA C 50.231 0.010 1 135 12 12 ALA CB C 21.270 0.010 1 136 12 12 ALA N N 127.500 0.010 1 137 13 13 TYR H H 8.749 0.010 1 138 13 13 TYR HA H 5.797 0.010 1 139 13 13 TYR HB2 H 2.949 0.010 2 140 13 13 TYR HB3 H 3.060 0.010 2 141 13 13 TYR HD1 H 6.624 0.010 . 142 13 13 TYR HD2 H 6.624 0.010 . 143 13 13 TYR HE1 H 6.618 0.010 . 144 13 13 TYR HE2 H 6.618 0.010 . 145 13 13 TYR C C 173.952 0.010 1 146 13 13 TYR CA C 56.390 0.010 1 147 13 13 TYR CB C 41.159 0.010 1 148 13 13 TYR CD1 C 132.482 0.010 3 149 13 13 TYR CE1 C 118.042 0.010 3 150 13 13 TYR N N 117.737 0.010 1 151 14 14 GLN H H 8.492 0.010 1 152 14 14 GLN HA H 4.611 0.010 1 153 14 14 GLN HB2 H 1.742 0.010 2 154 14 14 GLN HB3 H 2.132 0.010 2 155 14 14 GLN HE21 H 7.663 0.010 2 156 14 14 GLN HE22 H 6.783 0.010 2 157 14 14 GLN HG2 H 2.293 0.010 2 158 14 14 GLN HG3 H 2.495 0.010 2 159 14 14 GLN C C 174.492 0.010 1 160 14 14 GLN CA C 55.626 0.010 1 161 14 14 GLN CB C 32.734 0.010 1 162 14 14 GLN CG C 34.380 0.010 1 163 14 14 GLN N N 116.962 0.010 1 164 14 14 GLN NE2 N 114.092 0.010 1 165 15 15 VAL H H 8.403 0.010 1 166 15 15 VAL HA H 4.614 0.010 1 167 15 15 VAL HB H 1.464 0.010 1 168 15 15 VAL HG1 H 0.556 0.010 . 169 15 15 VAL HG2 H 0.254 0.010 . 170 15 15 VAL C C 173.389 0.010 1 171 15 15 VAL CA C 59.711 0.010 1 172 15 15 VAL CB C 33.639 0.010 1 173 15 15 VAL CG1 C 20.609 0.010 2 174 15 15 VAL CG2 C 22.812 0.010 2 175 15 15 VAL N N 121.203 0.010 1 176 16 16 ARG H H 8.584 0.010 1 177 16 16 ARG HA H 5.584 0.010 1 178 16 16 ARG HB2 H 1.303 0.010 2 179 16 16 ARG HB3 H 1.541 0.010 2 180 16 16 ARG HD2 H 2.957 0.010 . 181 16 16 ARG HD3 H 2.957 0.010 . 182 16 16 ARG HG2 H 1.178 0.010 2 183 16 16 ARG HG3 H 1.405 0.010 2 184 16 16 ARG C C 176.585 0.010 1 185 16 16 ARG CA C 53.453 0.010 1 186 16 16 ARG CB C 34.968 0.010 1 187 16 16 ARG CD C 43.037 0.010 1 188 16 16 ARG CG C 29.011 0.010 1 189 16 16 ARG N N 126.883 0.010 1 190 17 17 THR H H 8.270 0.010 1 191 17 17 THR HA H 4.573 0.010 1 192 17 17 THR HB H 4.748 0.010 1 193 17 17 THR HG2 H 1.098 0.010 . 194 17 17 THR C C 177.860 0.010 1 195 17 17 THR CA C 61.073 0.010 1 196 17 17 THR CB C 69.823 0.010 1 197 17 17 THR CG2 C 23.425 0.010 1 198 17 17 THR N N 109.730 0.010 1 199 18 18 GLU H H 9.147 0.010 1 200 18 18 GLU HA H 3.770 0.010 1 201 18 18 GLU HB2 H 2.052 0.010 . 202 18 18 GLU HB3 H 2.052 0.010 . 203 18 18 GLU HG2 H 2.199 0.010 2 204 18 18 GLU HG3 H 2.334 0.010 2 205 18 18 GLU C C 176.683 0.010 1 206 18 18 GLU CA C 59.866 0.010 1 207 18 18 GLU CB C 29.752 0.010 1 208 18 18 GLU CG C 37.295 0.010 1 209 18 18 GLU N N 122.491 0.010 1 210 19 19 ASP H H 7.900 0.010 1 211 19 19 ASP HA H 4.456 0.010 1 212 19 19 ASP HB2 H 2.672 0.010 . 213 19 19 ASP HB3 H 2.672 0.010 . 214 19 19 ASP C C 176.670 0.010 1 215 19 19 ASP CA C 53.833 0.010 1 216 19 19 ASP CB C 40.180 0.010 1 217 19 19 ASP N N 116.200 0.010 1 218 20 20 GLY H H 8.149 0.010 1 219 20 20 GLY HA2 H 4.145 0.010 . 220 20 20 GLY HA3 H 3.531 0.010 2 221 20 20 GLY C C 173.987 0.010 1 222 20 20 GLY CA C 45.463 0.010 1 223 20 20 GLY N N 108.869 0.010 1 224 21 21 VAL H H 7.261 0.010 1 225 21 21 VAL HA H 3.645 0.010 1 226 21 21 VAL HB H 1.903 0.010 1 227 21 21 VAL HG1 H 0.720 0.010 . 228 21 21 VAL HG2 H 0.651 0.010 . 229 21 21 VAL C C 175.265 0.010 1 230 21 21 VAL CA C 63.368 0.010 1 231 21 21 VAL CB C 31.614 0.010 1 232 21 21 VAL CG1 C 20.881 0.010 2 233 21 21 VAL CG2 C 22.194 0.010 2 234 21 21 VAL N N 124.283 0.010 1 235 22 22 LEU H H 8.407 0.010 1 236 22 22 LEU HA H 4.333 0.010 1 237 22 22 LEU HB2 H 1.239 0.010 2 238 22 22 LEU HB3 H 1.787 0.010 2 239 22 22 LEU HD1 H 0.783 0.010 . 240 22 22 LEU HD2 H 0.712 0.010 . 241 22 22 LEU HG H 1.269 0.010 1 242 22 22 LEU C C 176.660 0.010 1 243 22 22 LEU CA C 55.724 0.010 1 244 22 22 LEU CB C 42.272 0.010 1 245 22 22 LEU CD1 C 24.656 0.010 2 246 22 22 LEU CD2 C 26.143 0.010 2 247 22 22 LEU CG C 27.044 0.010 1 248 22 22 LEU N N 128.533 0.010 1 249 23 23 VAL H H 8.887 0.010 1 250 23 23 VAL HA H 4.237 0.010 1 251 23 23 VAL HB H 2.006 0.010 1 252 23 23 VAL HG1 H 0.828 0.010 . 253 23 23 VAL HG2 H 0.724 0.010 . 254 23 23 VAL C C 175.265 0.010 1 255 23 23 VAL CA C 62.348 0.010 1 256 23 23 VAL CB C 33.383 0.010 1 257 23 23 VAL CG1 C 21.903 0.010 2 258 23 23 VAL CG2 C 20.282 0.010 2 259 23 23 VAL N N 125.041 0.010 1 260 24 24 ASP H H 7.480 0.010 1 261 24 24 ASP HA H 4.763 0.010 1 262 24 24 ASP HB2 H 2.317 0.010 2 263 24 24 ASP HB3 H 2.850 0.010 2 264 24 24 ASP C C 173.160 0.010 1 265 24 24 ASP CA C 53.893 0.010 1 266 24 24 ASP CB C 43.680 0.010 1 267 24 24 ASP N N 117.159 0.010 1 268 25 25 GLU H H 8.187 0.010 1 269 25 25 GLU HA H 4.491 0.010 1 270 25 25 GLU HB2 H 1.991 0.010 2 271 25 25 GLU HB3 H 2.045 0.010 2 272 25 25 GLU HG2 H 1.867 0.010 2 273 25 25 GLU HG3 H 1.989 0.010 2 274 25 25 GLU C C 174.586 0.010 1 275 25 25 GLU CA C 55.475 0.010 1 276 25 25 GLU CB C 33.033 0.010 1 277 25 25 GLU CG C 34.653 0.010 1 278 25 25 GLU N N 118.821 0.010 1 279 26 26 SER H H 8.003 0.010 1 280 26 26 SER HA H 4.782 0.010 1 281 26 26 SER HB2 H 3.469 0.010 2 282 26 26 SER HB3 H 3.881 0.010 2 283 26 26 SER CA C 56.490 0.010 1 284 26 26 SER CB C 64.977 0.010 1 285 26 26 SER N N 119.346 0.010 1 286 27 27 PRO HA H 4.633 0.010 1 287 27 27 PRO HB2 H 2.030 0.010 2 288 27 27 PRO HB3 H 2.130 0.010 2 289 27 27 PRO HD2 H 3.539 0.010 2 290 27 27 PRO HD3 H 3.828 0.010 2 291 27 27 PRO HG2 H 1.759 0.010 2 292 27 27 PRO HG3 H 1.922 0.010 2 293 27 27 PRO C C 177.016 0.010 1 294 27 27 PRO CA C 61.943 0.010 1 295 27 27 PRO CB C 32.492 0.010 1 296 27 27 PRO CD C 50.440 0.010 1 297 27 27 PRO CG C 26.560 0.010 1 298 28 28 VAL H H 8.383 0.010 1 299 28 28 VAL HA H 3.385 0.010 1 300 28 28 VAL HB H 1.878 0.010 1 301 28 28 VAL HG1 H 0.802 0.010 . 302 28 28 VAL HG2 H 0.844 0.010 . 303 28 28 VAL C C 176.069 0.010 1 304 28 28 VAL CA C 65.888 0.010 1 305 28 28 VAL CB C 31.220 0.010 1 306 28 28 VAL CG1 C 21.037 0.010 2 307 28 28 VAL CG2 C 21.943 0.010 2 308 28 28 VAL N N 119.349 0.010 1 309 29 29 SER H H 7.365 0.010 1 310 29 29 SER HA H 4.101 0.010 1 311 29 29 SER HB2 H 3.731 0.010 2 312 29 29 SER HB3 H 3.936 0.010 2 313 29 29 SER C C 174.535 0.010 1 314 29 29 SER CA C 58.609 0.010 1 315 29 29 SER CB C 63.198 0.010 1 316 29 29 SER N N 109.365 0.010 1 317 30 30 ALA H H 7.457 0.010 1 318 30 30 ALA HA H 4.548 0.010 1 319 30 30 ALA HB H 1.105 0.010 . 320 30 30 ALA CA C 50.789 0.010 1 321 30 30 ALA CB C 18.608 0.010 1 322 30 30 ALA N N 126.056 0.010 1 323 31 31 PRO HA H 4.332 0.010 1 324 31 31 PRO HB2 H 1.625 0.010 2 325 31 31 PRO HB3 H 1.746 0.010 2 326 31 31 PRO HD2 H 3.385 0.010 2 327 31 31 PRO HD3 H 3.490 0.010 2 328 31 31 PRO HG2 H 1.735 0.010 2 329 31 31 PRO HG3 H 1.814 0.010 2 330 31 31 PRO C C 175.841 0.010 1 331 31 31 PRO CA C 62.996 0.010 1 332 31 31 PRO CB C 32.696 0.010 1 333 31 31 PRO CD C 49.489 0.010 1 334 31 31 PRO CG C 26.760 0.010 1 335 32 32 LEU H H 8.717 0.010 1 336 32 32 LEU HA H 4.452 0.010 1 337 32 32 LEU HB2 H 1.776 0.010 2 338 32 32 LEU HB3 H 1.955 0.010 2 339 32 32 LEU HD1 H 0.940 0.010 . 340 32 32 LEU HD2 H 0.773 0.010 . 341 32 32 LEU HG H 1.488 0.010 1 342 32 32 LEU C C 175.298 0.010 1 343 32 32 LEU CA C 54.510 0.010 1 344 32 32 LEU CB C 43.899 0.010 1 345 32 32 LEU CD1 C 24.065 0.010 2 346 32 32 LEU CD2 C 26.368 0.010 2 347 32 32 LEU CG C 27.815 0.010 1 348 32 32 LEU N N 123.702 0.010 1 349 33 33 ASP H H 8.258 0.010 1 350 33 33 ASP HA H 5.919 0.010 1 351 33 33 ASP HB2 H 2.053 0.010 2 352 33 33 ASP HB3 H 2.465 0.010 2 353 33 33 ASP C C 175.927 0.010 1 354 33 33 ASP CA C 52.619 0.010 1 355 33 33 ASP CB C 42.205 0.010 1 356 33 33 ASP N N 128.453 0.010 1 357 34 34 TYR H H 9.144 0.010 1 358 34 34 TYR HA H 4.689 0.010 1 359 34 34 TYR HB2 H 2.698 0.010 . 360 34 34 TYR HB3 H 2.698 0.010 . 361 34 34 TYR HD1 H 6.695 0.010 . 362 34 34 TYR HD2 H 6.695 0.010 . 363 34 34 TYR HE1 H 6.699 0.010 . 364 34 34 TYR HE2 H 6.699 0.010 . 365 34 34 TYR C C 170.622 0.010 1 366 34 34 TYR CA C 55.930 0.010 1 367 34 34 TYR CB C 41.905 0.010 1 368 34 34 TYR CD1 C 133.156 0.010 3 369 34 34 TYR CE1 C 118.193 0.010 3 370 34 34 TYR N N 121.657 0.010 1 371 35 35 LEU H H 8.324 0.010 1 372 35 35 LEU HA H 4.396 0.010 1 373 35 35 LEU HB2 H 0.681 0.010 2 374 35 35 LEU HB3 H 1.654 0.010 2 375 35 35 LEU HD1 H 0.320 0.010 . 376 35 35 LEU HD2 H -0.038 0.010 . 377 35 35 LEU HG H 0.999 0.010 1 378 35 35 LEU C C 175.301 0.010 1 379 35 35 LEU CA C 52.909 0.010 1 380 35 35 LEU CB C 42.816 0.010 1 381 35 35 LEU CD1 C 24.650 0.010 2 382 35 35 LEU CD2 C 25.521 0.010 2 383 35 35 LEU CG C 27.343 0.010 1 384 35 35 LEU N N 124.514 0.010 1 385 36 36 HIS H H 8.763 0.010 1 386 36 36 HIS HA H 4.382 0.010 1 387 36 36 HIS HB2 H 2.551 0.010 2 388 36 36 HIS HB3 H 3.320 0.010 2 389 36 36 HIS HD2 H 6.216 0.010 1 390 36 36 HIS HE1 H 8.005 0.010 1 391 36 36 HIS C C 176.514 0.010 1 392 36 36 HIS CA C 59.570 0.010 1 393 36 36 HIS CB C 31.257 0.010 1 394 36 36 HIS CD2 C 116.696 0.010 1 395 36 36 HIS CE1 C 138.443 0.010 1 396 36 36 HIS N N 132.209 0.010 1 397 37 37 GLY H H 8.745 0.010 1 398 37 37 GLY HA2 H 4.021 0.010 . 399 37 37 GLY HA3 H 3.592 0.010 2 400 37 37 GLY C C 175.081 0.010 1 401 37 37 GLY CA C 45.621 0.010 1 402 37 37 GLY N N 117.737 0.010 1 403 38 38 HIS H H 8.470 0.010 1 404 38 38 HIS HA H 4.584 0.010 1 405 38 38 HIS HB2 H 2.735 0.010 2 406 38 38 HIS HB3 H 3.602 0.010 2 407 38 38 HIS HD2 H 6.921 0.010 1 408 38 38 HIS HE1 H 8.012 0.010 1 409 38 38 HIS C C 175.334 0.010 1 410 38 38 HIS CA C 55.899 0.010 1 411 38 38 HIS CB C 30.865 0.010 1 412 38 38 HIS CD2 C 118.329 0.010 1 413 38 38 HIS CE1 C 136.921 0.010 1 414 38 38 HIS N N 119.813 0.010 1 415 39 39 GLY H H 8.936 0.010 1 416 39 39 GLY HA2 H 3.895 0.010 . 417 39 39 GLY HA3 H 3.895 0.010 . 418 39 39 GLY C C 175.557 0.010 1 419 39 39 GLY CA C 46.938 0.010 1 420 39 39 GLY N N 112.442 0.010 1 421 40 40 SER H H 9.249 0.010 1 422 40 40 SER HA H 4.299 0.010 1 423 40 40 SER HB2 H 3.935 0.010 2 424 40 40 SER HB3 H 4.000 0.010 2 425 40 40 SER C C 174.138 0.010 1 426 40 40 SER CA C 60.809 0.010 1 427 40 40 SER CB C 64.041 0.010 1 428 40 40 SER N N 117.098 0.010 1 429 41 41 LEU H H 7.386 0.010 1 430 41 41 LEU HA H 4.429 0.010 1 431 41 41 LEU HB2 H 1.030 0.010 2 432 41 41 LEU HB3 H 1.183 0.010 2 433 41 41 LEU HD1 H -0.258 0.010 . 434 41 41 LEU HD2 H 0.035 0.010 . 435 41 41 LEU HG H 0.854 0.010 1 436 41 41 LEU C C 176.526 0.010 1 437 41 41 LEU CA C 52.295 0.010 1 438 41 41 LEU CB C 44.147 0.010 1 439 41 41 LEU CD1 C 23.993 0.010 2 440 41 41 LEU CD2 C 22.189 0.010 2 441 41 41 LEU CG C 26.861 0.010 1 442 41 41 LEU N N 120.541 0.010 1 443 42 42 ILE H H 7.407 0.010 1 444 42 42 ILE HA H 3.756 0.010 1 445 42 42 ILE HB H 1.752 0.010 1 446 42 42 ILE HD1 H 0.626 0.010 . 447 42 42 ILE HG12 H 0.891 0.010 2 448 42 42 ILE HG13 H 1.201 0.010 2 449 42 42 ILE HG2 H 0.188 0.010 . 450 42 42 ILE C C 178.081 0.010 1 451 42 42 ILE CA C 62.257 0.010 1 452 42 42 ILE CB C 38.256 0.010 1 453 42 42 ILE CD1 C 14.948 0.010 1 454 42 42 ILE CG1 C 25.693 0.010 1 455 42 42 ILE CG2 C 18.173 0.010 1 456 42 42 ILE N N 115.050 0.010 1 457 43 43 SER H H 8.581 0.010 1 458 43 43 SER HA H 3.957 0.010 1 459 43 43 SER HB2 H 3.768 0.010 . 460 43 43 SER HB3 H 3.768 0.010 . 461 43 43 SER C C 177.830 0.010 1 462 43 43 SER CA C 61.958 0.010 1 463 43 43 SER CB C 62.680 0.010 1 464 43 43 SER N N 121.456 0.010 1 465 44 44 GLY H H 8.892 0.010 1 466 44 44 GLY HA2 H 3.514 0.010 . 467 44 44 GLY HA3 H 3.854 0.010 2 468 44 44 GLY C C 175.296 0.010 1 469 44 44 GLY CA C 46.854 0.010 1 470 44 44 GLY N N 106.351 0.010 1 471 45 45 LEU H H 6.824 0.010 1 472 45 45 LEU HA H 3.909 0.010 1 473 45 45 LEU HB2 H 0.338 0.010 2 474 45 45 LEU HB3 H 1.326 0.010 2 475 45 45 LEU HD1 H -0.050 0.010 . 476 45 45 LEU HD2 H -0.109 0.010 . 477 45 45 LEU HG H 0.904 0.010 1 478 45 45 LEU C C 176.738 0.010 1 479 45 45 LEU CA C 56.356 0.010 1 480 45 45 LEU CB C 42.296 0.010 1 481 45 45 LEU CD1 C 21.999 0.010 2 482 45 45 LEU CD2 C 24.752 0.010 2 483 45 45 LEU CG C 26.034 0.010 1 484 45 45 LEU N N 119.207 0.010 1 485 46 46 GLU H H 7.556 0.010 1 486 46 46 GLU HA H 3.664 0.010 1 487 46 46 GLU HB2 H 1.717 0.010 2 488 46 46 GLU HB3 H 1.890 0.010 2 489 46 46 GLU HG2 H 1.807 0.010 2 490 46 46 GLU HG3 H 2.078 0.010 2 491 46 46 GLU C C 179.231 0.010 1 492 46 46 GLU CA C 62.316 0.010 1 493 46 46 GLU CB C 29.147 0.010 1 494 46 46 GLU CG C 38.201 0.010 1 495 46 46 GLU N N 119.049 0.010 1 496 47 47 THR H H 8.219 0.010 1 497 47 47 THR HA H 3.965 0.010 1 498 47 47 THR HB H 3.979 0.010 1 499 47 47 THR HG2 H 1.161 0.010 . 500 47 47 THR C C 176.251 0.010 1 501 47 47 THR CA C 65.947 0.010 1 502 47 47 THR CB C 69.014 0.010 1 503 47 47 THR CG2 C 21.739 0.010 1 504 47 47 THR N N 111.770 0.010 1 505 48 48 ALA H H 6.794 0.010 1 506 48 48 ALA HA H 4.171 0.010 1 507 48 48 ALA HB H 1.518 0.010 . 508 48 48 ALA C C 178.639 0.010 1 509 48 48 ALA CA C 54.072 0.010 1 510 48 48 ALA CB C 19.752 0.010 1 511 48 48 ALA N N 122.697 0.010 1 512 49 49 LEU H H 7.691 0.010 1 513 49 49 LEU HA H 3.902 0.010 1 514 49 49 LEU HB2 H 1.518 0.010 2 515 49 49 LEU HB3 H 2.083 0.010 2 516 49 49 LEU HD1 H 0.836 0.010 . 517 49 49 LEU HD2 H 0.788 0.010 . 518 49 49 LEU HG H 1.717 0.010 1 519 49 49 LEU C C 176.823 0.010 1 520 49 49 LEU CA C 57.190 0.010 1 521 49 49 LEU CB C 43.628 0.010 1 522 49 49 LEU CD1 C 26.874 0.010 2 523 49 49 LEU CD2 C 24.664 0.010 2 524 49 49 LEU CG C 28.808 0.010 1 525 49 49 LEU N N 117.159 0.010 1 526 50 50 GLU H H 6.963 0.010 1 527 50 50 GLU HA H 3.220 0.010 1 528 50 50 GLU HB2 H 1.996 0.010 2 529 50 50 GLU HB3 H 2.169 0.010 2 530 50 50 GLU HG2 H 2.170 0.010 2 531 50 50 GLU HG3 H 2.281 0.010 2 532 50 50 GLU C C 176.691 0.010 1 533 50 50 GLU CA C 58.769 0.010 1 534 50 50 GLU CB C 29.792 0.010 1 535 50 50 GLU CG C 35.584 0.010 1 536 50 50 GLU N N 118.761 0.010 1 537 51 51 GLY H H 8.541 0.010 1 538 51 51 GLY HA2 H 4.140 0.010 . 539 51 51 GLY HA3 H 3.488 0.010 2 540 51 51 GLY C C 173.801 0.010 1 541 51 51 GLY CA C 45.498 0.010 1 542 51 51 GLY N N 113.511 0.010 1 543 52 52 HIS H H 7.656 0.010 1 544 52 52 HIS HA H 4.318 0.010 1 545 52 52 HIS HB2 H 3.187 0.010 2 546 52 52 HIS HB3 H 3.370 0.010 2 547 52 52 HIS HD2 H 7.277 0.010 1 548 52 52 HIS HE1 H 7.834 0.010 1 549 52 52 HIS C C 172.815 0.010 1 550 52 52 HIS CA C 57.562 0.010 1 551 52 52 HIS CB C 28.670 0.010 1 552 52 52 HIS CD2 C 120.903 0.010 1 553 52 52 HIS CE1 C 136.219 0.010 1 554 52 52 HIS N N 116.844 0.010 1 555 53 53 GLU H H 8.331 0.010 1 556 53 53 GLU HA H 4.636 0.010 1 557 53 53 GLU HB2 H 1.768 0.010 2 558 53 53 GLU HB3 H 2.125 0.010 2 559 53 53 GLU HG2 H 2.199 0.010 . 560 53 53 GLU HG3 H 2.199 0.010 . 561 53 53 GLU C C 176.145 0.010 1 562 53 53 GLU CA C 54.891 0.010 1 563 53 53 GLU CB C 33.837 0.010 1 564 53 53 GLU CG C 37.349 0.010 1 565 53 53 GLU N N 118.873 0.010 1 566 54 54 VAL H H 8.585 0.010 1 567 54 54 VAL HA H 3.227 0.010 1 568 54 54 VAL HB H 1.860 0.010 1 569 54 54 VAL HG1 H 0.939 0.010 . 570 54 54 VAL HG2 H 0.848 0.010 . 571 54 54 VAL C C 177.218 0.010 1 572 54 54 VAL CA C 65.848 0.010 1 573 54 54 VAL CB C 31.189 0.010 1 574 54 54 VAL CG1 C 23.459 0.010 2 575 54 54 VAL CG2 C 21.426 0.010 2 576 54 54 VAL N N 120.580 0.010 1 577 55 55 GLY H H 8.912 0.010 1 578 55 55 GLY HA2 H 4.441 0.010 . 579 55 55 GLY HA3 H 3.865 0.010 2 580 55 55 GLY C C 174.827 0.010 1 581 55 55 GLY CA C 44.370 0.010 1 582 55 55 GLY N N 118.078 0.010 1 583 56 56 ASP H H 8.098 0.010 1 584 56 56 ASP HA H 4.547 0.010 1 585 56 56 ASP HB2 H 2.850 0.010 2 586 56 56 ASP HB3 H 3.015 0.010 2 587 56 56 ASP C C 174.859 0.010 1 588 56 56 ASP CA C 55.629 0.010 1 589 56 56 ASP CB C 40.906 0.010 1 590 56 56 ASP N N 123.094 0.010 1 591 57 57 LYS H H 8.168 0.010 1 592 57 57 LYS HA H 5.471 0.010 1 593 57 57 LYS HB2 H 1.565 0.010 2 594 57 57 LYS HB3 H 1.770 0.010 2 595 57 57 LYS HD2 H 1.567 0.010 . 596 57 57 LYS HD3 H 1.567 0.010 . 597 57 57 LYS HE2 H 2.834 0.010 . 598 57 57 LYS HE3 H 2.834 0.010 . 599 57 57 LYS HG2 H 1.161 0.010 2 600 57 57 LYS HG3 H 1.439 0.010 2 601 57 57 LYS C C 175.732 0.010 1 602 57 57 LYS CA C 55.056 0.010 1 603 57 57 LYS CB C 35.302 0.010 1 604 57 57 LYS CD C 29.686 0.010 1 605 57 57 LYS CE C 42.070 0.010 1 606 57 57 LYS CG C 24.788 0.010 1 607 57 57 LYS N N 122.301 0.010 1 608 58 58 PHE H H 8.355 0.010 1 609 58 58 PHE HA H 4.858 0.010 1 610 58 58 PHE HB2 H 3.008 0.010 2 611 58 58 PHE HB3 H 3.254 0.010 2 612 58 58 PHE HD1 H 6.581 0.010 . 613 58 58 PHE HD2 H 6.581 0.010 . 614 58 58 PHE HE1 H 6.580 0.010 . 615 58 58 PHE HE2 H 6.580 0.010 . 616 58 58 PHE HZ H 6.303 0.010 1 617 58 58 PHE C C 171.549 0.010 1 618 58 58 PHE CA C 56.195 0.010 1 619 58 58 PHE CB C 39.335 0.010 1 620 58 58 PHE CD1 C 132.347 0.010 3 621 58 58 PHE CE1 C 132.347 0.010 3 622 58 58 PHE CZ C 128.814 0.010 1 623 58 58 PHE N N 121.026 0.010 1 624 59 59 ASP H H 8.407 0.010 1 625 59 59 ASP HA H 5.743 0.010 1 626 59 59 ASP HB2 H 2.516 0.010 2 627 59 59 ASP HB3 H 2.589 0.010 2 628 59 59 ASP C C 176.302 0.010 1 629 59 59 ASP CA C 52.579 0.010 1 630 59 59 ASP CB C 43.628 0.010 1 631 59 59 ASP N N 119.234 0.010 1 632 60 60 VAL H H 8.915 0.010 1 633 60 60 VAL HA H 4.374 0.010 1 634 60 60 VAL HB H 1.903 0.010 1 635 60 60 VAL HG1 H 0.693 0.010 . 636 60 60 VAL HG2 H 0.822 0.010 . 637 60 60 VAL C C 173.140 0.010 1 638 60 60 VAL CA C 61.252 0.010 1 639 60 60 VAL CB C 35.620 0.010 1 640 60 60 VAL CG1 C 20.789 0.010 2 641 60 60 VAL CG2 C 21.770 0.010 2 642 60 60 VAL N N 119.758 0.010 1 643 61 61 ALA H H 8.761 0.010 1 644 61 61 ALA HA H 5.091 0.010 1 645 61 61 ALA HB H 1.342 0.010 . 646 61 61 ALA C C 176.460 0.010 1 647 61 61 ALA CA C 51.019 0.010 1 648 61 61 ALA CB C 19.447 0.010 1 649 61 61 ALA N N 133.341 0.010 1 650 62 62 VAL H H 8.929 0.010 1 651 62 62 VAL HA H 4.236 0.010 1 652 62 62 VAL HB H 1.820 0.010 1 653 62 62 VAL HG1 H 0.850 0.010 . 654 62 62 VAL HG2 H 0.588 0.010 . 655 62 62 VAL C C 174.733 0.010 1 656 62 62 VAL CA C 61.007 0.010 1 657 62 62 VAL CB C 34.387 0.010 1 658 62 62 VAL CG1 C 23.606 0.010 2 659 62 62 VAL CG2 C 21.451 0.010 2 660 62 62 VAL N N 124.165 0.010 1 661 63 63 GLY H H 8.995 0.010 1 662 63 63 GLY HA2 H 4.229 0.010 . 663 63 63 GLY HA3 H 3.637 0.010 2 664 63 63 GLY C C 175.306 0.010 1 665 63 63 GLY CA C 44.620 0.010 1 666 63 63 GLY N N 115.598 0.010 1 667 64 64 ALA H H 8.106 0.010 1 668 64 64 ALA HA H 4.010 0.010 1 669 64 64 ALA HB H 1.011 0.010 . 670 64 64 ALA C C 180.218 0.010 1 671 64 64 ALA CA C 55.897 0.010 1 672 64 64 ALA CB C 18.347 0.010 1 673 64 64 ALA N N 122.859 0.010 1 674 65 65 ASN H H 8.748 0.010 1 675 65 65 ASN HA H 4.230 0.010 1 676 65 65 ASN HB2 H 2.594 0.010 2 677 65 65 ASN HB3 H 2.659 0.010 2 678 65 65 ASN HD21 H 7.495 0.010 2 679 65 65 ASN HD22 H 6.824 0.010 2 680 65 65 ASN C C 176.085 0.010 1 681 65 65 ASN CA C 56.064 0.010 1 682 65 65 ASN CB C 37.871 0.010 1 683 65 65 ASN N N 114.590 0.010 1 684 65 65 ASN ND2 N 113.609 0.010 1 685 66 66 ASP H H 7.598 0.010 1 686 66 66 ASP HA H 4.682 0.010 1 687 66 66 ASP HB2 H 2.377 0.010 2 688 66 66 ASP HB3 H 2.609 0.010 2 689 66 66 ASP C C 173.061 0.010 1 690 66 66 ASP CA C 53.549 0.010 1 691 66 66 ASP CB C 42.204 0.010 1 692 66 66 ASP N N 118.065 0.010 1 693 67 67 ALA H H 7.434 0.010 1 694 67 67 ALA HA H 4.316 0.010 1 695 67 67 ALA HB H 1.195 0.010 . 696 67 67 ALA C C 175.615 0.010 1 697 67 67 ALA CA C 50.814 0.010 1 698 67 67 ALA CB C 18.618 0.010 1 699 67 67 ALA N N 124.890 0.010 1 700 68 68 TYR H H 8.390 0.010 1 701 68 68 TYR HA H 4.195 0.010 1 702 68 68 TYR HB2 H 2.045 0.010 2 703 68 68 TYR HB3 H 2.715 0.010 2 704 68 68 TYR HD1 H 6.640 0.010 . 705 68 68 TYR HD2 H 6.640 0.010 . 706 68 68 TYR HE1 H 6.399 0.010 . 707 68 68 TYR HE2 H 6.399 0.010 . 708 68 68 TYR C C 174.964 0.010 1 709 68 68 TYR CA C 59.566 0.010 1 710 68 68 TYR CB C 36.992 0.010 1 711 68 68 TYR CD1 C 132.490 0.010 3 712 68 68 TYR CE1 C 117.716 0.010 3 713 68 68 TYR N N 121.083 0.010 1 714 69 69 GLY H H 8.149 0.010 1 715 69 69 GLY HA2 H 4.254 0.010 . 716 69 69 GLY HA3 H 3.624 0.010 2 717 69 69 GLY C C 173.161 0.010 1 718 69 69 GLY CA C 44.465 0.010 1 719 69 69 GLY N N 108.762 0.010 1 720 70 70 GLN H H 8.450 0.010 1 721 70 70 GLN HA H 4.140 0.010 1 722 70 70 GLN HB2 H 1.772 0.010 2 723 70 70 GLN HB3 H 2.106 0.010 2 724 70 70 GLN HE21 H 7.466 0.010 2 725 70 70 GLN HE22 H 6.834 0.010 2 726 70 70 GLN HG2 H 2.413 0.010 . 727 70 70 GLN HG3 H 2.413 0.010 . 728 70 70 GLN C C 176.138 0.010 1 729 70 70 GLN CA C 54.680 0.010 1 730 70 70 GLN CB C 29.210 0.010 1 731 70 70 GLN CG C 32.989 0.010 1 732 70 70 GLN N N 117.002 0.010 1 733 70 70 GLN NE2 N 112.728 0.010 1 734 71 71 TYR H H 8.991 0.010 1 735 71 71 TYR HA H 3.752 0.010 1 736 71 71 TYR HB2 H 2.530 0.010 2 737 71 71 TYR HB3 H 2.841 0.010 2 738 71 71 TYR HD1 H 6.759 0.010 . 739 71 71 TYR HD2 H 6.759 0.010 . 740 71 71 TYR HE1 H 6.643 0.010 . 741 71 71 TYR HE2 H 6.643 0.010 . 742 71 71 TYR C C 174.548 0.010 1 743 71 71 TYR CA C 59.868 0.010 1 744 71 71 TYR CB C 38.961 0.010 1 745 71 71 TYR CD1 C 132.853 0.010 3 746 71 71 TYR CE1 C 118.856 0.010 3 747 71 71 TYR N N 125.112 0.010 1 748 72 72 ASP H H 8.819 0.010 1 749 72 72 ASP HA H 4.773 0.010 1 750 72 72 ASP HB2 H 2.311 0.010 2 751 72 72 ASP HB3 H 2.768 0.010 2 752 72 72 ASP C C 177.709 0.010 1 753 72 72 ASP CA C 52.382 0.010 1 754 72 72 ASP CB C 42.197 0.010 1 755 72 72 ASP N N 129.918 0.010 1 756 73 73 GLU H H 9.409 0.010 1 757 73 73 GLU HA H 3.937 0.010 1 758 73 73 GLU HB2 H 2.060 0.010 2 759 73 73 GLU HB3 H 2.148 0.010 2 760 73 73 GLU HG2 H 2.364 0.010 . 761 73 73 GLU HG3 H 2.364 0.010 . 762 73 73 GLU C C 177.581 0.010 1 763 73 73 GLU CA C 58.962 0.010 1 764 73 73 GLU CB C 29.155 0.010 1 765 73 73 GLU CG C 36.147 0.010 1 766 73 73 GLU N N 129.624 0.010 1 767 74 74 ASN H H 8.700 0.010 1 768 74 74 ASN HA H 4.550 0.010 1 769 74 74 ASN HB2 H 2.698 0.010 2 770 74 74 ASN HB3 H 2.842 0.010 2 771 74 74 ASN HD21 H 7.999 0.010 2 772 74 74 ASN HD22 H 6.914 0.010 2 773 74 74 ASN C C 176.190 0.010 1 774 74 74 ASN CA C 54.932 0.010 1 775 74 74 ASN CB C 38.113 0.010 1 776 74 74 ASN N N 116.792 0.010 1 777 74 74 ASN ND2 N 116.376 0.010 1 778 75 75 LEU H H 7.303 0.010 1 779 75 75 LEU HA H 4.289 0.010 1 780 75 75 LEU HB2 H 1.315 0.010 2 781 75 75 LEU HB3 H 1.648 0.010 2 782 75 75 LEU HD1 H 0.640 0.010 . 783 75 75 LEU HD2 H 0.695 0.010 . 784 75 75 LEU HG H 1.333 0.010 1 785 75 75 LEU C C 175.821 0.010 1 786 75 75 LEU CA C 54.106 0.010 1 787 75 75 LEU CB C 41.239 0.010 1 788 75 75 LEU CD1 C 21.973 0.010 2 789 75 75 LEU CD2 C 25.321 0.010 2 790 75 75 LEU CG C 26.444 0.010 1 791 75 75 LEU N N 117.094 0.010 1 792 76 76 VAL H H 7.181 0.010 1 793 76 76 VAL HA H 4.970 0.010 1 794 76 76 VAL HB H 2.084 0.010 1 795 76 76 VAL HG1 H 0.821 0.010 . 796 76 76 VAL HG2 H 0.821 0.010 . 797 76 76 VAL C C 175.702 0.010 1 798 76 76 VAL CA C 61.733 0.010 1 799 76 76 VAL CB C 31.822 0.010 1 800 76 76 VAL CG1 C 21.131 0.010 2 801 76 76 VAL N N 124.716 0.010 1 802 77 77 GLN H H 8.791 0.010 1 803 77 77 GLN HA H 4.695 0.010 1 804 77 77 GLN HB2 H 1.944 0.010 2 805 77 77 GLN HB3 H 1.665 0.010 2 806 77 77 GLN HE21 H 7.252 0.010 2 807 77 77 GLN HE22 H 6.606 0.010 2 808 77 77 GLN HG2 H 2.065 0.010 2 809 77 77 GLN HG3 H 2.068 0.010 2 810 77 77 GLN C C 173.553 0.010 1 811 77 77 GLN CA C 54.038 0.010 1 812 77 77 GLN CB C 33.018 0.010 1 813 77 77 GLN CG C 33.514 0.010 1 814 77 77 GLN N N 124.898 0.010 1 815 77 77 GLN NE2 N 111.350 0.010 1 816 78 78 ARG H H 8.530 0.010 1 817 78 78 ARG HA H 5.107 0.010 1 818 78 78 ARG HB2 H 1.464 0.010 2 819 78 78 ARG HB3 H 1.511 0.010 2 820 78 78 ARG HD2 H 2.686 0.010 2 821 78 78 ARG HD3 H 2.813 0.010 2 822 78 78 ARG HG2 H 1.252 0.010 2 823 78 78 ARG HG3 H 1.401 0.010 2 824 78 78 ARG C C 176.182 0.010 1 825 78 78 ARG CA C 55.355 0.010 1 826 78 78 ARG CB C 31.150 0.010 1 827 78 78 ARG CD C 43.054 0.010 1 828 78 78 ARG CG C 28.492 0.010 1 829 78 78 ARG N N 123.413 0.010 1 830 79 79 VAL H H 9.300 0.010 1 831 79 79 VAL HA H 4.824 0.010 1 832 79 79 VAL HB H 2.063 0.010 1 833 79 79 VAL HG1 H 0.905 0.010 . 834 79 79 VAL HG2 H 0.822 0.010 . 835 79 79 VAL CA C 58.731 0.010 1 836 79 79 VAL CB C 34.836 0.010 1 837 79 79 VAL CG1 C 21.476 0.010 2 838 79 79 VAL CG2 C 20.799 0.010 2 839 79 79 VAL N N 125.252 0.010 1 840 80 80 PRO HA H 4.339 0.010 1 841 80 80 PRO HB2 H 1.943 0.010 2 842 80 80 PRO HB3 H 2.319 0.010 2 843 80 80 PRO HD2 H 3.619 0.010 2 844 80 80 PRO HD3 H 3.911 0.010 2 845 80 80 PRO HG2 H 1.929 0.010 2 846 80 80 PRO HG3 H 2.088 0.010 2 847 80 80 PRO C C 176.902 0.010 1 848 80 80 PRO CA C 62.969 0.010 1 849 80 80 PRO CB C 32.431 0.010 1 850 80 80 PRO CD C 51.350 0.010 1 851 80 80 PRO CG C 28.028 0.010 1 852 81 81 LYS H H 7.816 0.010 1 853 81 81 LYS HA H 3.790 0.010 1 854 81 81 LYS HB2 H 1.479 0.010 2 855 81 81 LYS HB3 H 1.730 0.010 2 856 81 81 LYS HD2 H 1.567 0.010 . 857 81 81 LYS HD3 H 1.567 0.010 . 858 81 81 LYS HE2 H 2.633 0.010 2 859 81 81 LYS HE3 H 2.739 0.010 2 860 81 81 LYS HG2 H 1.080 0.010 2 861 81 81 LYS HG3 H 1.139 0.010 2 862 81 81 LYS C C 177.808 0.010 1 863 81 81 LYS CA C 59.874 0.010 1 864 81 81 LYS CB C 32.670 0.010 1 865 81 81 LYS CD C 29.686 0.010 1 866 81 81 LYS CE C 42.420 0.010 1 867 81 81 LYS CG C 27.059 0.010 1 868 81 81 LYS N N 120.948 0.010 1 869 82 82 ASP H H 8.069 0.010 1 870 82 82 ASP HA H 4.243 0.010 1 871 82 82 ASP HB2 H 2.519 0.010 2 872 82 82 ASP HB3 H 2.606 0.010 2 873 82 82 ASP C C 177.157 0.010 1 874 82 82 ASP CA C 55.527 0.010 1 875 82 82 ASP CB C 40.005 0.010 1 876 82 82 ASP N N 116.004 0.010 1 877 83 83 VAL H H 7.150 0.010 1 878 83 83 VAL HA H 3.719 0.010 1 879 83 83 VAL HB H 1.744 0.010 1 880 83 83 VAL HG1 H 0.588 0.010 . 881 83 83 VAL HG2 H 0.399 0.010 . 882 83 83 VAL C C 176.346 0.010 1 883 83 83 VAL CA C 63.868 0.010 1 884 83 83 VAL CB C 31.689 0.010 1 885 83 83 VAL CG1 C 21.462 0.010 2 886 83 83 VAL CG2 C 20.665 0.010 2 887 83 83 VAL N N 117.199 0.010 1 888 84 84 PHE H H 7.365 0.010 1 889 84 84 PHE HA H 4.389 0.010 1 890 84 84 PHE HB2 H 2.856 0.010 2 891 84 84 PHE HB3 H 2.629 0.010 2 892 84 84 PHE HD1 H 6.795 0.010 . 893 84 84 PHE HD2 H 6.795 0.010 . 894 84 84 PHE HE1 H 6.637 0.010 . 895 84 84 PHE HE2 H 6.637 0.010 . 896 84 84 PHE HZ H 6.608 0.010 1 897 84 84 PHE C C 175.265 0.010 1 898 84 84 PHE CA C 57.210 0.010 1 899 84 84 PHE CB C 38.968 0.010 1 900 84 84 PHE CD1 C 131.767 0.010 3 901 84 84 PHE CE1 C 130.792 0.010 3 902 84 84 PHE CZ C 128.163 0.010 1 903 84 84 PHE N N 119.897 0.010 1 904 85 85 MET H H 7.765 0.010 1 905 85 85 MET HA H 4.277 0.010 1 906 85 85 MET HB2 H 1.967 0.010 . 907 85 85 MET HB3 H 1.967 0.010 . 908 85 85 MET HE H 1.986 0.010 . 909 85 85 MET HG2 H 2.444 0.010 2 910 85 85 MET HG3 H 2.497 0.010 2 911 85 85 MET C C 176.856 0.010 1 912 85 85 MET CA C 56.389 0.010 1 913 85 85 MET CB C 32.715 0.010 1 914 85 85 MET CE C 16.957 0.010 1 915 85 85 MET CG C 31.840 0.010 1 916 85 85 MET N N 121.131 0.010 1 917 86 86 GLY H H 8.499 0.010 1 918 86 86 GLY HA2 H 3.928 0.010 . 919 86 86 GLY HA3 H 3.793 0.010 2 920 86 86 GLY C C 174.168 0.010 1 921 86 86 GLY CA C 45.637 0.010 1 922 86 86 GLY N N 111.268 0.010 1 923 87 87 VAL H H 7.564 0.010 1 924 87 87 VAL HA H 4.083 0.010 1 925 87 87 VAL HB H 2.040 0.010 1 926 87 87 VAL HG1 H 0.774 0.010 . 927 87 87 VAL HG2 H 0.774 0.010 . 928 87 87 VAL C C 175.649 0.010 1 929 87 87 VAL CA C 61.809 0.010 1 930 87 87 VAL CB C 32.667 0.010 1 931 87 87 VAL CG1 C 21.484 0.010 2 932 87 87 VAL CG2 C 20.397 0.010 2 933 87 87 VAL N N 118.839 0.010 1 934 88 88 ASP H H 8.270 0.010 1 935 88 88 ASP HA H 4.421 0.010 1 936 88 88 ASP HB2 H 2.500 0.010 2 937 88 88 ASP HB3 H 2.597 0.010 2 938 88 88 ASP C C 175.977 0.010 1 939 88 88 ASP CA C 55.655 0.010 1 940 88 88 ASP CB C 41.364 0.010 1 941 88 88 ASP N N 124.401 0.010 1 942 89 89 GLU H H 7.833 0.010 1 943 89 89 GLU HA H 4.206 0.010 1 944 89 89 GLU HB2 H 1.785 0.010 2 945 89 89 GLU HB3 H 1.851 0.010 2 946 89 89 GLU HG2 H 2.034 0.010 2 947 89 89 GLU HG3 H 2.085 0.010 2 948 89 89 GLU C C 174.912 0.010 1 949 89 89 GLU CA C 55.739 0.010 1 950 89 89 GLU CB C 30.603 0.010 1 951 89 89 GLU CG C 36.112 0.010 1 952 89 89 GLU N N 119.378 0.010 1 953 90 90 LEU H H 8.051 0.010 1 954 90 90 LEU HA H 4.127 0.010 1 955 90 90 LEU HB2 H 1.003 0.010 2 956 90 90 LEU HB3 H 1.503 0.010 2 957 90 90 LEU HD1 H 0.556 0.010 . 958 90 90 LEU HD2 H 0.389 0.010 . 959 90 90 LEU HG H 1.391 0.010 1 960 90 90 LEU C C 175.753 0.010 1 961 90 90 LEU CA C 54.929 0.010 1 962 90 90 LEU CB C 42.710 0.010 1 963 90 90 LEU CD1 C 25.956 0.010 2 964 90 90 LEU CD2 C 23.728 0.010 2 965 90 90 LEU CG C 26.665 0.010 1 966 90 90 LEU N N 124.432 0.010 1 967 91 91 GLN H H 7.341 0.010 1 968 91 91 GLN HA H 4.546 0.010 1 969 91 91 GLN HB2 H 1.673 0.010 2 970 91 91 GLN HB3 H 2.035 0.010 2 971 91 91 GLN HE21 H 7.370 0.010 2 972 91 91 GLN HE22 H 6.676 0.010 2 973 91 91 GLN HG2 H 2.196 0.010 2 974 91 91 GLN HG3 H 2.210 0.010 2 975 91 91 GLN C C 174.655 0.010 1 976 91 91 GLN CA C 53.671 0.010 1 977 91 91 GLN CB C 32.850 0.010 1 978 91 91 GLN CG C 33.107 0.010 1 979 91 91 GLN N N 120.186 0.010 1 980 91 91 GLN NE2 N 112.434 0.010 1 981 92 92 VAL H H 8.442 0.010 1 982 92 92 VAL HA H 3.278 0.010 1 983 92 92 VAL HB H 1.837 0.010 1 984 92 92 VAL HG1 H 0.873 0.010 . 985 92 92 VAL HG2 H 0.888 0.010 . 986 92 92 VAL C C 177.098 0.010 1 987 92 92 VAL CA C 64.953 0.010 1 988 92 92 VAL CB C 31.601 0.010 1 989 92 92 VAL CG1 C 22.767 0.010 2 990 92 92 VAL CG2 C 21.247 0.010 2 991 92 92 VAL N N 121.899 0.010 1 992 93 93 GLY H H 9.002 0.010 1 993 93 93 GLY HA2 H 4.327 0.010 . 994 93 93 GLY HA3 H 3.770 0.010 2 995 93 93 GLY C C 174.547 0.010 1 996 93 93 GLY CA C 44.446 0.010 1 997 93 93 GLY N N 116.485 0.010 1 998 94 94 MET H H 7.445 0.010 1 999 94 94 MET HA H 4.182 0.010 1 1000 94 94 MET HB2 H 1.997 0.010 . 1001 94 94 MET HB3 H 1.997 0.010 . 1002 94 94 MET HE H 2.037 0.010 . 1003 94 94 MET HG2 H 2.445 0.010 2 1004 94 94 MET HG3 H 2.651 0.010 2 1005 94 94 MET C C 174.531 0.010 1 1006 94 94 MET CA C 57.193 0.010 1 1007 94 94 MET CB C 34.474 0.010 1 1008 94 94 MET CE C 17.713 0.010 1 1009 94 94 MET CG C 33.301 0.010 1 1010 94 94 MET N N 120.304 0.010 1 1011 95 95 ARG H H 8.169 0.010 1 1012 95 95 ARG HA H 5.343 0.010 1 1013 95 95 ARG HB2 H 1.493 0.010 2 1014 95 95 ARG HB3 H 1.670 0.010 2 1015 95 95 ARG HD2 H 2.969 0.010 2 1016 95 95 ARG HD3 H 3.062 0.010 2 1017 95 95 ARG HG2 H 1.364 0.010 2 1018 95 95 ARG HG3 H 1.596 0.010 2 1019 95 95 ARG C C 175.593 0.010 1 1020 95 95 ARG CA C 54.898 0.010 1 1021 95 95 ARG CB C 32.928 0.010 1 1022 95 95 ARG CD C 43.454 0.010 1 1023 95 95 ARG CG C 27.898 0.010 1 1024 95 95 ARG N N 122.066 0.010 1 1025 96 96 PHE H H 8.440 0.010 1 1026 96 96 PHE HA H 4.738 0.010 1 1027 96 96 PHE HB2 H 2.649 0.010 2 1028 96 96 PHE HB3 H 3.153 0.010 2 1029 96 96 PHE HD1 H 6.875 0.010 . 1030 96 96 PHE HD2 H 6.875 0.010 . 1031 96 96 PHE HE1 H 6.989 0.010 . 1032 96 96 PHE HE2 H 6.989 0.010 . 1033 96 96 PHE HZ H 6.896 0.010 1 1034 96 96 PHE C C 173.273 0.010 1 1035 96 96 PHE CA C 56.174 0.010 1 1036 96 96 PHE CB C 42.474 0.010 1 1037 96 96 PHE CD1 C 132.093 0.010 3 1038 96 96 PHE CE1 C 130.806 0.010 3 1039 96 96 PHE CZ C 129.266 0.010 1 1040 96 96 PHE N N 119.938 0.010 1 1041 97 97 LEU H H 8.459 0.010 1 1042 97 97 LEU HA H 4.625 0.010 1 1043 97 97 LEU HB2 H 1.242 0.010 2 1044 97 97 LEU HB3 H 1.561 0.010 2 1045 97 97 LEU HD1 H 0.628 0.010 . 1046 97 97 LEU HD2 H 0.724 0.010 . 1047 97 97 LEU HG H 1.419 0.010 1 1048 97 97 LEU C C 175.664 0.010 1 1049 97 97 LEU CA C 53.547 0.010 1 1050 97 97 LEU CB C 42.379 0.010 1 1051 97 97 LEU CD1 C 23.730 0.010 2 1052 97 97 LEU CD2 C 24.661 0.010 2 1053 97 97 LEU CG C 26.834 0.010 1 1054 97 97 LEU N N 122.014 0.010 1 1055 98 98 ALA H H 8.812 0.010 1 1056 98 98 ALA HA H 4.520 0.010 1 1057 98 98 ALA HB H 1.179 0.010 . 1058 98 98 ALA C C 176.373 0.010 1 1059 98 98 ALA CA C 50.639 0.010 1 1060 98 98 ALA CB C 20.939 0.010 1 1061 98 98 ALA N N 129.296 0.010 1 1062 99 99 GLU H H 8.504 0.010 1 1063 99 99 GLU HA H 4.150 0.010 1 1064 99 99 GLU HB2 H 1.785 0.010 2 1065 99 99 GLU HB3 H 1.880 0.010 2 1066 99 99 GLU HG2 H 2.093 0.010 2 1067 99 99 GLU HG3 H 2.171 0.010 2 1068 99 99 GLU C C 176.351 0.010 1 1069 99 99 GLU CA C 56.830 0.010 1 1070 99 99 GLU CB C 29.639 0.010 1 1071 99 99 GLU CG C 35.787 0.010 1 1072 99 99 GLU N N 121.993 0.010 1 1073 100 100 THR H H 7.393 0.010 1 1074 100 100 THR HA H 4.819 0.010 1 1075 100 100 THR HB H 4.402 0.010 1 1076 100 100 THR HG2 H 1.076 0.010 . 1077 100 100 THR C C 175.882 0.010 1 1078 100 100 THR CA C 60.329 0.010 1 1079 100 100 THR CB C 73.452 0.010 1 1080 100 100 THR CG2 C 21.258 0.010 1 1081 100 100 THR N N 115.598 0.010 1 1082 101 101 ASP H H 8.988 0.010 1 1083 101 101 ASP HA H 4.357 0.010 1 1084 101 101 ASP HB2 H 2.645 0.010 . 1085 101 101 ASP HB3 H 2.645 0.010 . 1086 101 101 ASP C C 176.848 0.010 1 1087 101 101 ASP CA C 56.493 0.010 1 1088 101 101 ASP CB C 39.973 0.010 1 1089 101 101 ASP N N 121.468 0.010 1 1090 102 102 GLN H H 7.937 0.010 1 1091 102 102 GLN HA H 4.415 0.010 1 1092 102 102 GLN HB2 H 1.691 0.010 2 1093 102 102 GLN HB3 H 2.202 0.010 2 1094 102 102 GLN HE21 H 7.414 0.010 2 1095 102 102 GLN HE22 H 6.720 0.010 2 1096 102 102 GLN HG2 H 2.210 0.010 2 1097 102 102 GLN HG3 H 2.252 0.010 2 1098 102 102 GLN C C 175.252 0.010 1 1099 102 102 GLN CA C 55.097 0.010 1 1100 102 102 GLN CB C 29.121 0.010 1 1101 102 102 GLN CG C 34.017 0.010 1 1102 102 102 GLN N N 117.199 0.010 1 1103 102 102 GLN NE2 N 113.338 0.010 1 1104 103 103 GLY H H 7.431 0.010 1 1105 103 103 GLY HA2 H 4.504 0.010 . 1106 103 103 GLY HA3 H 3.868 0.010 2 1107 103 103 GLY CA C 44.051 0.010 1 1108 103 103 GLY N N 110.056 0.010 1 1109 104 104 PRO HA H 5.057 0.010 1 1110 104 104 PRO HB2 H 1.696 0.010 2 1111 104 104 PRO HB3 H 2.069 0.010 2 1112 104 104 PRO HD2 H 3.552 0.010 2 1113 104 104 PRO HD3 H 3.608 0.010 2 1114 104 104 PRO HG2 H 1.987 0.010 2 1115 104 104 PRO HG3 H 2.070 0.010 2 1116 104 104 PRO C C 177.873 0.010 1 1117 104 104 PRO CA C 62.464 0.010 1 1118 104 104 PRO CB C 31.939 0.010 1 1119 104 104 PRO CD C 49.518 0.010 1 1120 104 104 PRO CG C 27.469 0.010 1 1121 105 105 VAL H H 8.960 0.010 1 1122 105 105 VAL HA H 4.678 0.010 1 1123 105 105 VAL HB H 1.935 0.010 1 1124 105 105 VAL HG1 H 0.696 0.010 . 1125 105 105 VAL HG2 H 0.779 0.010 . 1126 105 105 VAL CA C 58.474 0.010 1 1127 105 105 VAL CB C 35.512 0.010 1 1128 105 105 VAL CG1 C 22.194 0.010 2 1129 105 105 VAL CG2 C 20.281 0.010 2 1130 105 105 VAL N N 123.240 0.010 1 1131 106 106 PRO HA H 4.777 0.010 1 1132 106 106 PRO HB2 H 1.734 0.010 2 1133 106 106 PRO HB3 H 2.018 0.010 2 1134 106 106 PRO HD2 H 3.630 0.010 . 1135 106 106 PRO HD3 H 3.630 0.010 . 1136 106 106 PRO HG2 H 1.812 0.010 2 1137 106 106 PRO HG3 H 2.072 0.010 2 1138 106 106 PRO C C 176.823 0.010 1 1139 106 106 PRO CA C 62.508 0.010 1 1140 106 106 PRO CB C 31.650 0.010 1 1141 106 106 PRO CD C 50.929 0.010 1 1142 106 106 PRO CG C 27.501 0.010 1 1143 107 107 VAL H H 8.835 0.010 1 1144 107 107 VAL HA H 4.719 0.010 1 1145 107 107 VAL HB H 1.653 0.010 1 1146 107 107 VAL HG1 H 0.685 0.010 . 1147 107 107 VAL HG2 H 0.389 0.010 . 1148 107 107 VAL C C 173.661 0.010 1 1149 107 107 VAL CA C 59.026 0.010 1 1150 107 107 VAL CB C 36.406 0.010 1 1151 107 107 VAL CG1 C 21.709 0.010 2 1152 107 107 VAL CG2 C 18.986 0.010 2 1153 107 107 VAL N N 117.474 0.010 1 1154 108 108 GLU H H 7.698 0.010 1 1155 108 108 GLU HA H 5.133 0.010 1 1156 108 108 GLU HB2 H 1.829 0.010 . 1157 108 108 GLU HB3 H 1.829 0.010 . 1158 108 108 GLU HG2 H 1.885 0.010 . 1159 108 108 GLU HG3 H 1.885 0.010 . 1160 108 108 GLU C C 176.394 0.010 1 1161 108 108 GLU CA C 53.808 0.010 1 1162 108 108 GLU CB C 33.984 0.010 1 1163 108 108 GLU CG C 36.460 0.010 1 1164 108 108 GLU N N 120.646 0.010 1 1165 109 109 ILE H H 8.690 0.010 1 1166 109 109 ILE HA H 4.484 0.010 1 1167 109 109 ILE HB H 2.088 0.010 1 1168 109 109 ILE HD1 H 0.607 0.010 . 1169 109 109 ILE HG12 H 1.054 0.010 2 1170 109 109 ILE HG13 H 1.626 0.010 2 1171 109 109 ILE HG2 H 0.657 0.010 . 1172 109 109 ILE C C 177.313 0.010 1 1173 109 109 ILE CA C 61.789 0.010 1 1174 109 109 ILE CB C 36.628 0.010 1 1175 109 109 ILE CD1 C 13.492 0.010 1 1176 109 109 ILE CG1 C 28.013 0.010 1 1177 109 109 ILE CG2 C 18.414 0.010 1 1178 109 109 ILE N N 124.739 0.010 1 1179 110 110 THR H H 9.300 0.010 1 1180 110 110 THR HA H 4.547 0.010 1 1181 110 110 THR HB H 4.264 0.010 1 1182 110 110 THR HG2 H 1.175 0.010 . 1183 110 110 THR C C 174.904 0.010 1 1184 110 110 THR CA C 62.260 0.010 1 1185 110 110 THR CB C 69.100 0.010 1 1186 110 110 THR CG2 C 22.778 0.010 1 1187 110 110 THR N N 122.544 0.010 1 1188 111 111 ALA H H 7.673 0.010 1 1189 111 111 ALA HA H 4.367 0.010 1 1190 111 111 ALA HB H 1.323 0.010 . 1191 111 111 ALA C C 175.019 0.010 1 1192 111 111 ALA CA C 53.125 0.010 1 1193 111 111 ALA CB C 21.539 0.010 1 1194 111 111 ALA N N 123.153 0.010 1 1195 112 112 VAL H H 8.707 0.010 1 1196 112 112 VAL HA H 4.129 0.010 1 1197 112 112 VAL HB H 1.886 0.010 1 1198 112 112 VAL HG1 H 0.836 0.010 . 1199 112 112 VAL HG2 H 0.645 0.010 . 1200 112 112 VAL C C 174.755 0.010 1 1201 112 112 VAL CA C 62.898 0.010 1 1202 112 112 VAL CB C 33.379 0.010 1 1203 112 112 VAL CG1 C 21.428 0.010 2 1204 112 112 VAL CG2 C 20.857 0.010 2 1205 112 112 VAL N N 122.369 0.010 1 1206 113 113 GLU H H 8.144 0.010 1 1207 113 113 GLU HA H 4.645 0.010 1 1208 113 113 GLU HB2 H 1.232 0.010 2 1209 113 113 GLU HB3 H 2.127 0.010 2 1210 113 113 GLU HG2 H 1.905 0.010 2 1211 113 113 GLU HG3 H 1.980 0.010 2 1212 113 113 GLU C C 175.102 0.010 1 1213 113 113 GLU CA C 54.080 0.010 1 1214 113 113 GLU CB C 31.234 0.010 1 1215 113 113 GLU CG C 35.784 0.010 1 1216 113 113 GLU N N 127.435 0.010 1 1217 114 114 ASP H H 8.472 0.010 1 1218 114 114 ASP HA H 4.209 0.010 1 1219 114 114 ASP HB2 H 2.593 0.010 . 1220 114 114 ASP HB3 H 2.593 0.010 . 1221 114 114 ASP C C 177.679 0.010 1 1222 114 114 ASP CA C 58.334 0.010 1 1223 114 114 ASP CB C 40.347 0.010 1 1224 114 114 ASP N N 119.844 0.010 1 1225 115 115 ASP H H 8.475 0.010 1 1226 115 115 ASP HA H 4.848 0.010 1 1227 115 115 ASP HB2 H 2.574 0.010 2 1228 115 115 ASP HB3 H 2.714 0.010 2 1229 115 115 ASP C C 175.968 0.010 1 1230 115 115 ASP CA C 53.290 0.010 1 1231 115 115 ASP CB C 42.080 0.010 1 1232 115 115 ASP N N 114.364 0.010 1 1233 116 116 HIS H H 7.185 0.010 1 1234 116 116 HIS HA H 5.106 0.010 1 1235 116 116 HIS HB2 H 2.905 0.010 2 1236 116 116 HIS HB3 H 2.717 0.010 2 1237 116 116 HIS HD2 H 6.262 0.010 1 1238 116 116 HIS HE1 H 7.603 0.010 1 1239 116 116 HIS C C 172.393 0.010 1 1240 116 116 HIS CA C 56.099 0.010 1 1241 116 116 HIS CB C 33.289 0.010 1 1242 116 116 HIS CD2 C 122.421 0.010 1 1243 116 116 HIS CE1 C 138.869 0.010 1 1244 116 116 HIS N N 117.212 0.010 1 1245 117 117 VAL H H 9.130 0.010 1 1246 117 117 VAL HA H 4.649 0.010 1 1247 117 117 VAL HB H 2.135 0.010 1 1248 117 117 VAL HG1 H 0.834 0.010 . 1249 117 117 VAL HG2 H 0.731 0.010 . 1250 117 117 VAL C C 173.832 0.010 1 1251 117 117 VAL CA C 59.555 0.010 1 1252 117 117 VAL CB C 34.676 0.010 1 1253 117 117 VAL CG1 C 23.642 0.010 2 1254 117 117 VAL CG2 C 20.647 0.010 2 1255 117 117 VAL N N 114.046 0.010 1 1256 118 118 VAL H H 8.680 0.010 1 1257 118 118 VAL HA H 4.747 0.010 1 1258 118 118 VAL HB H 1.901 0.010 1 1259 118 118 VAL HG1 H 0.803 0.010 . 1260 118 118 VAL HG2 H 0.699 0.010 . 1261 118 118 VAL C C 175.836 0.010 1 1262 118 118 VAL CA C 62.159 0.010 1 1263 118 118 VAL CB C 31.887 0.010 1 1264 118 118 VAL CG1 C 21.836 0.010 2 1265 118 118 VAL CG2 C 21.765 0.010 2 1266 118 118 VAL N N 125.095 0.010 1 1267 119 119 VAL H H 9.057 0.010 1 1268 119 119 VAL HA H 5.231 0.010 1 1269 119 119 VAL HB H 1.820 0.010 1 1270 119 119 VAL HG1 H 0.835 0.010 . 1271 119 119 VAL HG2 H 0.834 0.010 . 1272 119 119 VAL C C 173.747 0.010 1 1273 119 119 VAL CA C 58.326 0.010 1 1274 119 119 VAL CB C 34.387 0.010 1 1275 119 119 VAL CG1 C 22.484 0.010 2 1276 119 119 VAL CG2 C 19.505 0.010 2 1277 119 119 VAL N N 121.494 0.010 1 1278 120 120 ASP H H 8.926 0.010 1 1279 120 120 ASP HA H 5.174 0.010 1 1280 120 120 ASP HB2 H 2.428 0.010 2 1281 120 120 ASP HB3 H 2.998 0.010 2 1282 120 120 ASP C C 177.982 0.010 1 1283 120 120 ASP CA C 52.749 0.010 1 1284 120 120 ASP CB C 44.542 0.010 1 1285 120 120 ASP N N 121.454 0.010 1 1286 121 121 GLY H H 8.674 0.010 1 1287 121 121 GLY HA2 H 4.702 0.010 . 1288 121 121 GLY HA3 H 3.573 0.010 2 1289 121 121 GLY C C 175.041 0.010 1 1290 121 121 GLY CA C 45.319 0.010 1 1291 121 121 GLY N N 114.850 0.010 1 1292 122 122 ASN H H 8.762 0.010 1 1293 122 122 ASN HA H 4.183 0.010 1 1294 122 122 ASN HB2 H 2.178 0.010 2 1295 122 122 ASN HB3 H 2.780 0.010 2 1296 122 122 ASN HD21 H 8.633 0.010 2 1297 122 122 ASN HD22 H 6.548 0.010 2 1298 122 122 ASN C C 175.406 0.010 1 1299 122 122 ASN CA C 54.686 0.010 1 1300 122 122 ASN CB C 40.139 0.010 1 1301 122 122 ASN N N 121.618 0.010 1 1302 122 122 ASN ND2 N 120.943 0.010 1 1303 123 123 HIS H H 8.929 0.010 1 1304 123 123 HIS HA H 4.005 0.010 1 1305 123 123 HIS HB2 H 2.586 0.010 2 1306 123 123 HIS HB3 H 3.182 0.010 2 1307 123 123 HIS HD2 H 6.968 0.010 1 1308 123 123 HIS HE1 H 6.539 0.010 1 1309 123 123 HIS C C 177.325 0.010 1 1310 123 123 HIS CA C 58.768 0.010 1 1311 123 123 HIS CB C 31.172 0.010 1 1312 123 123 HIS CD2 C 117.961 0.010 1 1313 123 123 HIS CE1 C 136.629 0.010 1 1314 123 123 HIS N N 124.165 0.010 1 1315 124 124 MET H H 8.266 0.010 1 1316 124 124 MET HA H 4.048 0.010 1 1317 124 124 MET HB2 H 1.698 0.010 2 1318 124 124 MET HB3 H 1.854 0.010 2 1319 124 124 MET HE H 1.991 0.010 . 1320 124 124 MET HG2 H 2.200 0.010 2 1321 124 124 MET HG3 H 2.335 0.010 2 1322 124 124 MET CA C 58.994 0.010 1 1323 124 124 MET CB C 32.777 0.010 1 1324 124 124 MET CE C 17.396 0.010 1 1325 124 124 MET CG C 31.562 0.010 1 1326 124 124 MET N N 129.443 0.010 1 1327 125 125 LEU H H 8.094 0.010 1 1328 125 125 LEU HA H 4.455 0.010 1 1329 125 125 LEU HB2 H 1.569 0.010 . 1330 125 125 LEU HB3 H 1.569 0.010 . 1331 125 125 LEU HD1 H 0.651 0.010 . 1332 125 125 LEU C C 177.860 0.010 1 1333 125 125 LEU CA C 53.517 0.010 1 1334 125 125 LEU CB C 42.462 0.010 1 1335 125 125 LEU CD2 C 22.455 0.010 2 1336 125 125 LEU CG C 25.413 0.010 1 1337 126 126 ALA H H 8.089 0.010 1 1338 126 126 ALA HA H 3.966 0.010 1 1339 126 126 ALA HB H 1.429 0.010 . 1340 126 126 ALA C C 179.135 0.010 1 1341 126 126 ALA CA C 54.170 0.010 1 1342 126 126 ALA CB C 18.687 0.010 1 1343 126 126 ALA N N 126.095 0.010 1 1344 127 127 GLY H H 9.499 0.010 1 1345 127 127 GLY HA2 H 4.207 0.010 . 1346 127 127 GLY HA3 H 3.598 0.010 2 1347 127 127 GLY C C 173.568 0.010 1 1348 127 127 GLY CA C 45.846 0.010 1 1349 127 127 GLY N N 110.073 0.010 1 1350 128 128 GLN H H 7.514 0.010 1 1351 128 128 GLN HA H 4.496 0.010 1 1352 128 128 GLN HB2 H 1.878 0.010 2 1353 128 128 GLN HB3 H 1.979 0.010 2 1354 128 128 GLN HE21 H 7.479 0.010 2 1355 128 128 GLN HE22 H 6.760 0.010 2 1356 128 128 GLN HG2 H 2.086 0.010 2 1357 128 128 GLN HG3 H 2.145 0.010 2 1358 128 128 GLN C C 174.790 0.010 1 1359 128 128 GLN CA C 54.948 0.010 1 1360 128 128 GLN CB C 29.181 0.010 1 1361 128 128 GLN CG C 33.252 0.010 1 1362 128 128 GLN N N 117.842 0.010 1 1363 128 128 GLN NE2 N 113.530 0.010 1 1364 129 129 ASN H H 8.689 0.010 1 1365 129 129 ASN HA H 4.857 0.010 1 1366 129 129 ASN HB2 H 2.612 0.010 2 1367 129 129 ASN HB3 H 2.987 0.010 2 1368 129 129 ASN HD21 H 7.771 0.010 2 1369 129 129 ASN HD22 H 6.829 0.010 2 1370 129 129 ASN C C 174.325 0.010 1 1371 129 129 ASN CA C 52.568 0.010 1 1372 129 129 ASN CB C 38.035 0.010 1 1373 129 129 ASN N N 122.739 0.010 1 1374 129 129 ASN ND2 N 115.379 0.010 1 1375 130 130 LEU H H 8.742 0.010 1 1376 130 130 LEU HA H 4.918 0.010 1 1377 130 130 LEU HB2 H 0.958 0.010 2 1378 130 130 LEU HB3 H 1.515 0.010 2 1379 130 130 LEU HD1 H 0.955 0.010 . 1380 130 130 LEU HD2 H 0.648 0.010 . 1381 130 130 LEU HG H 1.680 0.010 1 1382 130 130 LEU C C 176.095 0.010 1 1383 130 130 LEU CA C 53.691 0.010 1 1384 130 130 LEU CB C 46.814 0.010 1 1385 130 130 LEU CD1 C 26.871 0.010 2 1386 130 130 LEU CD2 C 23.359 0.010 2 1387 130 130 LEU CG C 26.668 0.010 1 1388 130 130 LEU N N 121.242 0.010 1 1389 131 131 LYS H H 8.809 0.010 1 1390 131 131 LYS HA H 4.918 0.010 1 1391 131 131 LYS HB2 H 1.483 0.010 2 1392 131 131 LYS HB3 H 1.708 0.010 2 1393 131 131 LYS HD2 H 1.558 0.010 . 1394 131 131 LYS HD3 H 1.558 0.010 . 1395 131 131 LYS HE2 H 2.808 0.010 2 1396 131 131 LYS HE3 H 2.847 0.010 2 1397 131 131 LYS HG2 H 1.161 0.010 2 1398 131 131 LYS HG3 H 1.200 0.010 2 1399 131 131 LYS C C 175.508 0.010 1 1400 131 131 LYS CA C 55.333 0.010 1 1401 131 131 LYS CB C 33.962 0.010 1 1402 131 131 LYS CD C 29.021 0.010 1 1403 131 131 LYS CE C 41.996 0.010 1 1404 131 131 LYS CG C 24.806 0.010 1 1405 131 131 LYS N N 122.071 0.010 1 1406 132 132 PHE H H 9.436 0.010 1 1407 132 132 PHE HA H 5.427 0.010 1 1408 132 132 PHE HB2 H 2.456 0.010 2 1409 132 132 PHE HB3 H 2.981 0.010 2 1410 132 132 PHE HD1 H 6.785 0.010 . 1411 132 132 PHE HD2 H 6.785 0.010 . 1412 132 132 PHE HE1 H 6.784 0.010 . 1413 132 132 PHE HE2 H 6.784 0.010 . 1414 132 132 PHE HZ H 6.357 0.010 1 1415 132 132 PHE C C 175.715 0.010 1 1416 132 132 PHE CA C 56.665 0.010 1 1417 132 132 PHE CB C 42.263 0.010 1 1418 132 132 PHE CD1 C 131.767 0.010 3 1419 132 132 PHE CE1 C 131.584 0.010 3 1420 132 132 PHE CZ C 128.248 0.010 1 1421 132 132 PHE N N 125.247 0.010 1 1422 133 133 ASN H H 8.680 0.010 1 1423 133 133 ASN HA H 5.249 0.010 1 1424 133 133 ASN HB2 H 2.644 0.010 . 1425 133 133 ASN HB3 H 2.644 0.010 . 1426 133 133 ASN HD21 H 7.816 0.010 2 1427 133 133 ASN HD22 H 6.512 0.010 2 1428 133 133 ASN C C 174.433 0.010 1 1429 133 133 ASN CA C 53.952 0.010 1 1430 133 133 ASN CB C 41.492 0.010 1 1431 133 133 ASN N N 122.056 0.010 1 1432 133 133 ASN ND2 N 112.739 0.010 1 1433 134 134 VAL H H 8.762 0.010 1 1434 134 134 VAL HA H 4.805 0.010 1 1435 134 134 VAL HB H 1.055 0.010 1 1436 134 134 VAL HG1 H 0.522 0.010 . 1437 134 134 VAL HG2 H 0.181 0.010 . 1438 134 134 VAL C C 173.555 0.010 1 1439 134 134 VAL CA C 60.374 0.010 1 1440 134 134 VAL CB C 34.848 0.010 1 1441 134 134 VAL CG1 C 22.764 0.010 2 1442 134 134 VAL CG2 C 20.862 0.010 2 1443 134 134 VAL N N 122.014 0.010 1 1444 135 135 GLU H H 8.869 0.010 1 1445 135 135 GLU HA H 5.240 0.010 1 1446 135 135 GLU HB2 H 1.726 0.010 2 1447 135 135 GLU HB3 H 1.889 0.010 2 1448 135 135 GLU HG2 H 1.665 0.010 2 1449 135 135 GLU HG3 H 1.936 0.010 2 1450 135 135 GLU C C 175.578 0.010 1 1451 135 135 GLU CA C 54.376 0.010 1 1452 135 135 GLU CB C 33.264 0.010 1 1453 135 135 GLU CG C 35.509 0.010 1 1454 135 135 GLU N N 125.197 0.010 1 1455 136 136 VAL H H 8.270 0.010 1 1456 136 136 VAL HA H 4.066 0.010 1 1457 136 136 VAL HB H 2.446 0.010 1 1458 136 136 VAL HG1 H 0.815 0.010 . 1459 136 136 VAL HG2 H 0.693 0.010 . 1460 136 136 VAL C C 176.119 0.010 1 1461 136 136 VAL CA C 62.910 0.010 1 1462 136 136 VAL CB C 30.573 0.010 1 1463 136 136 VAL CG1 C 21.683 0.010 2 1464 136 136 VAL CG2 C 20.761 0.010 2 1465 136 136 VAL N N 126.347 0.010 1 1466 137 137 VAL H H 8.865 0.010 1 1467 137 137 VAL HA H 4.022 0.010 1 1468 137 137 VAL HB H 1.730 0.010 1 1469 137 137 VAL HG1 H 0.895 0.010 . 1470 137 137 VAL HG2 H 0.865 0.010 . 1471 137 137 VAL C C 175.208 0.010 1 1472 137 137 VAL CA C 64.424 0.010 1 1473 137 137 VAL CB C 32.943 0.010 1 1474 137 137 VAL CG1 C 21.243 0.010 2 1475 137 137 VAL CG2 C 22.990 0.010 2 1476 137 137 VAL N N 130.810 0.010 1 1477 138 138 ALA H H 7.677 0.010 1 1478 138 138 ALA HA H 4.496 0.010 1 1479 138 138 ALA HB H 1.324 0.010 . 1480 138 138 ALA C C 174.405 0.010 1 1481 138 138 ALA CA C 52.556 0.010 1 1482 138 138 ALA CB C 21.874 0.010 1 1483 138 138 ALA N N 119.194 0.010 1 1484 139 139 ILE H H 8.052 0.010 1 1485 139 139 ILE HA H 4.640 0.010 1 1486 139 139 ILE HB H 1.205 0.010 1 1487 139 139 ILE HD1 H 0.580 0.010 . 1488 139 139 ILE HG12 H 0.733 0.010 2 1489 139 139 ILE HG13 H 1.297 0.010 2 1490 139 139 ILE HG2 H 0.650 0.010 . 1491 139 139 ILE C C 173.734 0.010 1 1492 139 139 ILE CA C 61.623 0.010 1 1493 139 139 ILE CB C 43.363 0.010 1 1494 139 139 ILE CD1 C 15.622 0.010 1 1495 139 139 ILE CG1 C 28.367 0.010 1 1496 139 139 ILE CG2 C 19.661 0.010 1 1497 139 139 ILE N N 119.307 0.010 1 1498 140 140 ARG H H 8.912 0.010 1 1499 140 140 ARG HA H 4.760 0.010 1 1500 140 140 ARG HB2 H 1.796 0.010 . 1501 140 140 ARG HB3 H 1.796 0.010 . 1502 140 140 ARG HD2 H 2.920 0.010 . 1503 140 140 ARG HD3 H 2.920 0.010 . 1504 140 140 ARG HG2 H 1.616 0.010 2 1505 140 140 ARG HG3 H 1.979 0.010 2 1506 140 140 ARG C C 174.181 0.010 1 1507 140 140 ARG CA C 54.243 0.010 1 1508 140 140 ARG CB C 33.438 0.010 1 1509 140 140 ARG CD C 42.406 0.010 1 1510 140 140 ARG CG C 26.081 0.010 1 1511 140 140 ARG N N 122.820 0.010 1 1512 141 141 GLU H H 8.545 0.010 1 1513 141 141 GLU HA H 4.254 0.010 1 1514 141 141 GLU HB2 H 1.752 0.010 2 1515 141 141 GLU HB3 H 1.986 0.010 2 1516 141 141 GLU HG2 H 2.180 0.010 . 1517 141 141 GLU HG3 H 2.180 0.010 . 1518 141 141 GLU C C 177.299 0.010 1 1519 141 141 GLU CA C 57.165 0.010 1 1520 141 141 GLU CB C 30.048 0.010 1 1521 141 141 GLU CG C 36.577 0.010 1 1522 141 141 GLU N N 119.458 0.010 1 1523 142 142 ALA H H 8.380 0.010 1 1524 142 142 ALA HA H 4.388 0.010 1 1525 142 142 ALA HB H 1.204 0.010 . 1526 142 142 ALA C C 178.495 0.010 1 1527 142 142 ALA CA C 51.113 0.010 1 1528 142 142 ALA CB C 21.044 0.010 1 1529 142 142 ALA N N 127.330 0.010 1 1530 143 143 THR H H 9.502 0.010 1 1531 143 143 THR HA H 4.362 0.010 1 1532 143 143 THR HB H 4.657 0.010 1 1533 143 143 THR HG2 H 1.190 0.010 . 1534 143 143 THR C C 175.241 0.010 1 1535 143 143 THR CA C 60.541 0.010 1 1536 143 143 THR CB C 70.879 0.010 1 1537 143 143 THR CG2 C 21.721 0.010 1 1538 143 143 THR N N 114.561 0.010 1 1539 144 144 GLU H H 8.787 0.010 1 1540 144 144 GLU HA H 3.817 0.010 1 1541 144 144 GLU HB2 H 1.941 0.010 . 1542 144 144 GLU HB3 H 1.941 0.010 . 1543 144 144 GLU HG2 H 2.184 0.010 2 1544 144 144 GLU HG3 H 2.290 0.010 2 1545 144 144 GLU C C 179.490 0.010 1 1546 144 144 GLU CA C 60.102 0.010 1 1547 144 144 GLU CB C 29.338 0.010 1 1548 144 144 GLU CG C 36.603 0.010 1 1549 144 144 GLU N N 120.475 0.010 1 1550 145 145 GLU H H 8.321 0.010 1 1551 145 145 GLU HA H 3.899 0.010 1 1552 145 145 GLU HB2 H 1.786 0.010 2 1553 145 145 GLU HB3 H 1.898 0.010 2 1554 145 145 GLU HG2 H 2.088 0.010 . 1555 145 145 GLU HG3 H 2.088 0.010 . 1556 145 145 GLU C C 178.521 0.010 1 1557 145 145 GLU CA C 59.588 0.010 1 1558 145 145 GLU CB C 29.658 0.010 1 1559 145 145 GLU CG C 36.799 0.010 1 1560 145 145 GLU N N 119.761 0.010 1 1561 146 146 GLU H H 7.514 0.010 1 1562 146 146 GLU HA H 3.856 0.010 1 1563 146 146 GLU HB2 H 2.270 0.010 . 1564 146 146 GLU HB3 H 2.270 0.010 . 1565 146 146 GLU HG2 H 2.208 0.010 . 1566 146 146 GLU HG3 H 2.208 0.010 . 1567 146 146 GLU C C 179.189 0.010 1 1568 146 146 GLU CA C 59.148 0.010 1 1569 146 146 GLU CB C 29.834 0.010 1 1570 146 146 GLU CG C 36.937 0.010 1 1571 146 146 GLU N N 121.118 0.010 1 1572 147 147 LEU H H 7.823 0.010 1 1573 147 147 LEU HA H 3.662 0.010 1 1574 147 147 LEU HB2 H 1.315 0.010 2 1575 147 147 LEU HB3 H 1.648 0.010 2 1576 147 147 LEU HD1 H 0.741 0.010 . 1577 147 147 LEU HD2 H 0.664 0.010 . 1578 147 147 LEU HG H 1.533 0.010 1 1579 147 147 LEU C C 179.341 0.010 1 1580 147 147 LEU CA C 57.277 0.010 1 1581 147 147 LEU CB C 41.239 0.010 1 1582 147 147 LEU CD1 C 25.882 0.010 2 1583 147 147 LEU CD2 C 22.828 0.010 2 1584 147 147 LEU CG C 26.374 0.010 1 1585 147 147 LEU N N 117.199 0.010 1 1586 148 148 ALA H H 7.788 0.010 1 1587 148 148 ALA HA H 3.958 0.010 1 1588 148 148 ALA HB H 1.233 0.010 . 1589 148 148 ALA C C 179.777 0.010 1 1590 148 148 ALA CA C 54.509 0.010 1 1591 148 148 ALA CB C 18.064 0.010 1 1592 148 148 ALA N N 121.696 0.010 1 1593 149 149 HIS H H 7.726 0.010 1 1594 149 149 HIS HA H 4.477 0.010 1 1595 149 149 HIS HB2 H 2.740 0.010 . 1596 149 149 HIS HB3 H 2.740 0.010 . 1597 149 149 HIS HD2 H 6.934 0.010 1 1598 149 149 HIS HE1 H 7.805 0.010 1 1599 149 149 HIS C C 176.099 0.010 1 1600 149 149 HIS CA C 55.802 0.010 1 1601 149 149 HIS CB C 30.406 0.010 1 1602 149 149 HIS CD2 C 119.779 0.010 1 1603 149 149 HIS CE1 C 137.748 0.010 1 1604 149 149 HIS N N 114.463 0.010 1 1605 150 150 GLY H H 8.076 0.010 1 1606 150 150 GLY HA2 H 3.927 0.010 . 1607 150 150 GLY HA3 H 3.237 0.010 2 1608 150 150 GLY C C 173.382 0.010 1 1609 150 150 GLY CA C 46.117 0.010 1 1610 150 150 GLY N N 109.417 0.010 1 1611 151 151 HIS H H 7.518 0.010 1 1612 151 151 HIS HA H 4.563 0.010 1 1613 151 151 HIS HB2 H 2.959 0.010 2 1614 151 151 HIS HB3 H 3.152 0.010 2 1615 151 151 HIS HD2 H 6.708 0.010 1 1616 151 151 HIS HE1 H 7.893 0.010 1 1617 151 151 HIS C C 173.157 0.010 1 1618 151 151 HIS CA C 54.731 0.010 1 1619 151 151 HIS CB C 31.611 0.010 1 1620 151 151 HIS CD2 C 122.286 0.010 1 1621 151 151 HIS CE1 C 137.282 0.010 1 1622 151 151 HIS N N 114.828 0.010 1 1623 152 152 VAL H H 7.931 0.010 1 1624 152 152 VAL HA H 3.951 0.010 1 1625 152 152 VAL HB H 1.891 0.010 1 1626 152 152 VAL HG1 H 0.710 0.010 . 1627 152 152 VAL HG2 H 0.698 0.010 . 1628 152 152 VAL C C 175.848 0.010 1 1629 152 152 VAL CA C 62.190 0.010 1 1630 152 152 VAL CB C 32.703 0.010 1 1631 152 152 VAL CG1 C 21.801 0.010 2 1632 152 152 VAL CG2 C 21.751 0.010 2 1633 152 152 VAL N N 118.551 0.010 1 1634 153 153 HIS H H 9.784 0.010 1 1635 153 153 HIS HA H 4.604 0.010 1 1636 153 153 HIS HB2 H 3.020 0.010 . 1637 153 153 HIS HB3 H 3.020 0.010 . 1638 153 153 HIS HD2 H 6.925 0.010 1 1639 153 153 HIS HE1 H 7.883 0.010 1 1640 153 153 HIS C C 175.795 0.010 1 1641 153 153 HIS CA C 56.753 0.010 1 1642 153 153 HIS CB C 30.325 0.010 1 1643 153 153 HIS CD2 C 120.676 0.010 1 1644 153 153 HIS CE1 C 137.663 0.010 1 1645 153 153 HIS N N 127.403 0.010 1 1646 154 154 GLY H H 8.447 0.010 1 1647 154 154 GLY HA2 H 3.797 0.010 . 1648 154 154 GLY HA3 H 3.797 0.010 . 1649 154 154 GLY C C 173.848 0.010 1 1650 154 154 GLY CA C 45.153 0.010 1 1651 154 154 GLY N N 112.233 0.010 1 1652 155 155 ALA H H 8.074 0.010 1 1653 155 155 ALA HA H 4.101 0.010 1 1654 155 155 ALA HB H 1.189 0.010 . 1655 155 155 ALA C C 177.651 0.010 1 1656 155 155 ALA CA C 52.795 0.010 1 1657 155 155 ALA CB C 19.258 0.010 1 1658 155 155 ALA N N 124.092 0.010 1 1659 156 156 HIS H H 8.201 0.010 1 1660 156 156 HIS HA H 4.474 0.010 1 1661 156 156 HIS HB2 H 2.897 0.010 2 1662 156 156 HIS HB3 H 2.953 0.010 2 1663 156 156 HIS C C 174.758 0.010 1 1664 156 156 HIS CA C 55.756 0.010 1 1665 156 156 HIS CB C 30.060 0.010 1 1666 156 156 HIS N N 118.170 0.010 1 1667 157 157 ASP H H 8.001 0.010 1 1668 157 157 ASP HA H 4.436 0.010 1 1669 157 157 ASP HB2 H 2.475 0.010 2 1670 157 157 ASP HB3 H 2.501 0.010 2 1671 157 157 ASP CA C 54.185 0.010 1 1672 157 157 ASP CB C 41.016 0.010 1 1673 157 157 ASP N N 121.683 0.010 1 1674 160 160 HIS HA H 4.502 0.010 1 1675 160 160 HIS HB2 H 2.902 0.010 2 1676 160 160 HIS HB3 H 2.955 0.010 2 1677 160 160 HIS C C 174.722 0.010 1 1678 160 160 HIS CA C 55.979 0.010 1 1679 160 160 HIS CB C 30.058 0.010 1 1680 161 161 ASP H H 8.270 0.010 1 1681 161 161 ASP HA H 4.446 0.010 1 1682 161 161 ASP HB2 H 2.466 0.010 . 1683 161 161 ASP HB3 H 2.466 0.010 . 1684 161 161 ASP C C 176.107 0.010 1 1685 161 161 ASP CA C 54.474 0.010 1 1686 161 161 ASP CB C 40.820 0.010 1 1687 161 161 ASP N N 121.957 0.010 1 1688 162 162 HIS H H 8.212 0.010 1 1689 162 162 HIS HA H 4.289 0.010 1 1690 162 162 HIS HB2 H 2.939 0.010 . 1691 162 162 HIS HB3 H 2.939 0.010 . 1692 162 162 HIS C C 175.036 0.010 1 1693 162 162 HIS CA C 56.185 0.010 1 1694 162 162 HIS CB C 30.108 0.010 1 1695 162 162 HIS N N 119.766 0.010 1 1696 163 163 ASP H H 8.163 0.010 1 1697 163 163 ASP HA H 4.428 0.010 1 1698 163 163 ASP HB2 H 2.469 0.010 . 1699 163 163 ASP HB3 H 2.469 0.010 . 1700 163 163 ASP C C 176.161 0.010 1 1701 163 163 ASP CA C 54.585 0.010 1 1702 163 163 ASP CB C 40.823 0.010 1 1703 163 163 ASP N N 121.265 0.010 1 1704 164 164 HIS H H 8.106 0.010 1 1705 164 164 HIS HA H 4.422 0.010 1 1706 164 164 HIS HB2 H 2.880 0.010 2 1707 164 164 HIS HB3 H 3.024 0.010 2 1708 164 164 HIS C C 174.904 0.010 1 1709 164 164 HIS CA C 56.361 0.010 1 1710 164 164 HIS CB C 30.305 0.010 1 1711 164 164 HIS N N 119.729 0.010 1 1712 165 165 ASP H H 8.118 0.010 1 1713 165 165 ASP HA H 4.394 0.010 1 1714 165 165 ASP HB2 H 2.433 0.010 . 1715 165 165 ASP HB3 H 2.433 0.010 . 1716 165 165 ASP C C 176.054 0.010 1 1717 165 165 ASP CA C 54.364 0.010 1 1718 165 165 ASP CB C 40.818 0.010 1 1719 165 165 ASP N N 121.062 0.010 1 1720 166 166 HIS H H 8.092 0.010 1 1721 166 166 HIS CA C 56.114 0.010 1 1722 166 166 HIS CB C 29.702 0.010 1 1723 166 166 HIS N N 120.001 0.010 1 1724 170 170 HIS HA H 4.514 0.010 1 1725 170 170 HIS HB2 H 3.061 0.010 . 1726 170 170 HIS HB3 H 3.061 0.010 . 1727 170 170 HIS C C 173.952 0.010 1 1728 170 170 HIS CA C 55.995 0.010 1 1729 170 170 HIS CB C 30.161 0.010 1 1730 171 171 HIS H H 7.881 0.010 1 1731 171 171 HIS HA H 4.324 0.010 1 1732 171 171 HIS HB2 H 2.950 0.010 2 1733 171 171 HIS HB3 H 3.084 0.010 2 1734 171 171 HIS CA C 57.400 0.010 1 1735 171 171 HIS CB C 30.557 0.010 1 1736 171 171 HIS N N 126.080 0.010 1 stop_ save_