data_17483 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural characterization of small heat shock protein (Hsp12) in aqueous solution ; _BMRB_accession_number 17483 _BMRB_flat_file_name bmr17483.str _Entry_type original _Submission_date 2011-02-22 _Accession_date 2011-02-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singarapu Kiran K. . 2 Tonelli Marco . . 3 Westler William M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 361 "13C chemical shifts" 293 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-09 update BMRB 'update entry citation' 2011-10-26 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17482 'Hsp12 (in SDS micelles)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of Hsp12, the heat shock protein from Saccharomyces cerevisiae, in aqueous solution where it is intrinsically disordered and in detergent micelles where it is locally -helical.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21998307 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singarapu Kiran K. . 2 Tonelli Marco . . 3 Chow Darius C. . 4 Frederick Ronnie O. . 5 Westler William M. . 6 Markley John L. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 50 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 43447 _Page_last 43453 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hsp12 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hsp12 $hsp12 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_hsp12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hsp12 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; MSDAGRKGFGEKASEALKPD SQKSYAEQGKEYITDKADKV AGKVQPEDNKGVFQGVHDSA EKGKDNAEGQGESLADQARD YMGAAKSKLNDAVEYVSGRV HGEEDPTKK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ASP 4 ALA 5 GLY 6 ARG 7 LYS 8 GLY 9 PHE 10 GLY 11 GLU 12 LYS 13 ALA 14 SER 15 GLU 16 ALA 17 LEU 18 LYS 19 PRO 20 ASP 21 SER 22 GLN 23 LYS 24 SER 25 TYR 26 ALA 27 GLU 28 GLN 29 GLY 30 LYS 31 GLU 32 TYR 33 ILE 34 THR 35 ASP 36 LYS 37 ALA 38 ASP 39 LYS 40 VAL 41 ALA 42 GLY 43 LYS 44 VAL 45 GLN 46 PRO 47 GLU 48 ASP 49 ASN 50 LYS 51 GLY 52 VAL 53 PHE 54 GLN 55 GLY 56 VAL 57 HIS 58 ASP 59 SER 60 ALA 61 GLU 62 LYS 63 GLY 64 LYS 65 ASP 66 ASN 67 ALA 68 GLU 69 GLY 70 GLN 71 GLY 72 GLU 73 SER 74 LEU 75 ALA 76 ASP 77 GLN 78 ALA 79 ARG 80 ASP 81 TYR 82 MET 83 GLY 84 ALA 85 ALA 86 LYS 87 SER 88 LYS 89 LEU 90 ASN 91 ASP 92 ALA 93 VAL 94 GLU 95 TYR 96 VAL 97 SER 98 GLY 99 ARG 100 VAL 101 HIS 102 GLY 103 GLU 104 GLU 105 ASP 106 PRO 107 THR 108 LYS 109 LYS 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 17482 entity 100.00 109 100.00 100.00 8.02e-70 BMRB 17948 Hsp12 100.00 109 100.00 100.00 8.02e-70 BMRB 18523 HSP12_SDS 100.00 109 100.00 100.00 8.02e-70 PDB 2L9Q "Structural Characterization Of Small Heat Shock Protein (Hsp12)" 100.00 109 100.00 100.00 8.02e-70 PDB 2LJL "Nmr Structure Of Hsp12 In The Presence Of Dpc" 100.00 109 100.00 100.00 8.02e-70 PDB 4AXP "Nmr Structure Of Hsp12, A Protein Induced By And Required For Dietary Restriction-Induced Lifespan Extension In Yeast" 99.08 109 100.00 100.00 9.65e-69 DBJ BAA09224 "12KD heat shock protein [Saccharomyces cerevisiae]" 100.00 109 100.00 100.00 8.02e-70 DBJ BAA14033 "Sc-Hsp12p [Saccharomyces pastorianus]" 100.00 109 100.00 100.00 8.02e-70 DBJ GAA23069 "K7_Hsp12p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 109 100.00 100.00 8.02e-70 EMBL CAA39306 "hsp12 [Saccharomyces cerevisiae]" 100.00 109 100.00 100.00 8.02e-70 EMBL CAA86349 "hsp12, glp1 [Saccharomyces cerevisiae]" 100.00 109 100.00 100.00 8.02e-70 EMBL CAY79436 "Hsp12p [Saccharomyces cerevisiae EC1118]" 100.00 109 99.08 99.08 1.20e-68 GB AAA34647 "15 kD glucose and lipid regulated protein [Saccharomyces cerevisiae]" 100.00 109 100.00 100.00 8.02e-70 GB AAL06077 "12 kDa heat shock protein [Saccharomyces cerevisiae]" 100.00 109 99.08 99.08 1.20e-68 GB AAS56790 "YFL014W [Saccharomyces cerevisiae]" 100.00 109 100.00 100.00 8.02e-70 GB AHY75775 "Hsp12p [Saccharomyces cerevisiae YJM993]" 100.00 109 98.17 98.17 1.59e-67 GB AJP38487 "Hsp12p [Saccharomyces cerevisiae YJM1078]" 100.00 109 99.08 99.08 1.20e-68 REF NP_116640 "lipid-binding protein HSP12 [Saccharomyces cerevisiae S288c]" 100.00 109 100.00 100.00 8.02e-70 SP P22943 "RecName: Full=12 kDa heat shock protein; AltName: Full=Glucose and lipid-regulated protein" 100.00 109 100.00 100.00 8.02e-70 TPG DAA12425 "TPA: lipid-binding protein HSP12 [Saccharomyces cerevisiae S288c]" 100.00 109 100.00 100.00 8.02e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hsp12 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $hsp12 'recombinant technology' . Escherichia coli . pvp68k 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 $hsp12 0.2 mM '[U-100% 15N]' $hsp12 1.0 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '10mM MOPS, 100mM NaCl, 5mM DTT, 3mM NaN3' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7.0 . 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 '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNCO' 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 hsp12 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 ASP HA H 4.575 0.000 1 2 3 3 ASP HB2 H 2.654 0.000 2 3 3 3 ASP HB3 H 2.615 0.000 2 4 3 3 ASP C C 176.152 0.000 1 5 3 3 ASP CA C 54.316 0.000 1 6 3 3 ASP CB C 41.200 0.000 1 7 4 4 ALA H H 8.258 0.000 1 8 4 4 ALA HA H 4.206 0.000 1 9 4 4 ALA HB H 1.367 0.000 1 10 4 4 ALA C C 178.419 0.000 1 11 4 4 ALA CA C 53.000 0.000 1 12 4 4 ALA CB C 18.886 0.000 1 13 4 4 ALA N N 124.554 0.000 1 14 5 5 GLY H H 8.389 0.000 1 15 5 5 GLY HA2 H 3.885 0.000 2 16 5 5 GLY HA3 H 3.904 0.000 2 17 5 5 GLY C C 174.308 0.000 1 18 5 5 GLY CA C 45.300 0.000 1 19 5 5 GLY N N 107.649 0.000 1 20 6 6 ARG H H 8.012 0.000 1 21 6 6 ARG HA H 4.294 0.000 1 22 6 6 ARG HB2 H 1.834 0.000 2 23 6 6 ARG HB3 H 1.739 0.000 2 24 6 6 ARG C C 176.376 0.000 1 25 6 6 ARG CA C 55.900 0.000 1 26 6 6 ARG CB C 30.500 0.000 1 27 6 6 ARG N N 120.496 0.000 1 28 7 7 LYS H H 8.351 0.000 1 29 7 7 LYS HA H 4.272 0.000 1 30 7 7 LYS HB2 H 1.833 0.000 2 31 7 7 LYS HB3 H 1.754 0.000 2 32 7 7 LYS C C 177.169 0.000 1 33 7 7 LYS CA C 56.384 0.000 1 34 7 7 LYS CB C 32.800 0.000 1 35 7 7 LYS N N 122.800 0.000 1 36 8 8 GLY H H 8.433 0.000 1 37 8 8 GLY HA2 H 3.855 0.000 2 38 8 8 GLY HA3 H 3.866 0.000 2 39 8 8 GLY C C 173.885 0.000 1 40 8 8 GLY CA C 45.073 0.000 1 41 8 8 GLY N N 110.073 0.000 1 42 9 9 PHE H H 8.155 0.000 1 43 9 9 PHE HA H 4.579 0.000 1 44 9 9 PHE HB2 H 3.139 0.000 2 45 9 9 PHE HB3 H 2.995 0.000 2 46 9 9 PHE C C 176.376 0.000 1 47 9 9 PHE CA C 57.900 0.000 1 48 9 9 PHE CB C 39.500 0.000 1 49 9 9 PHE N N 120.120 0.000 1 50 10 10 GLY H H 8.415 0.000 1 51 10 10 GLY HA2 H 3.826 0.000 2 52 10 10 GLY HA3 H 3.902 0.000 2 53 10 10 GLY C C 174.101 0.000 1 54 10 10 GLY CA C 45.266 0.000 1 55 10 10 GLY N N 110.902 0.000 1 56 11 11 GLU H H 8.214 0.000 1 57 11 11 GLU HA H 4.245 0.000 1 58 11 11 GLU HB2 H 2.018 0.000 2 59 11 11 GLU HB3 H 1.908 0.000 2 60 11 11 GLU C C 176.626 0.000 1 61 11 11 GLU CA C 56.500 0.000 1 62 11 11 GLU CB C 30.200 0.000 1 63 11 11 GLU N N 120.814 0.000 1 64 12 12 LYS H H 8.377 0.000 1 65 12 12 LYS HA H 4.275 0.000 1 66 12 12 LYS HB2 H 1.814 0.000 2 67 12 12 LYS HB3 H 1.735 0.000 2 68 12 12 LYS C C 176.497 0.000 1 69 12 12 LYS CA C 56.100 0.000 1 70 12 12 LYS CB C 32.800 0.000 1 71 12 12 LYS N N 122.325 0.000 1 72 13 13 ALA H H 8.346 0.000 1 73 13 13 ALA HA H 4.266 0.000 1 74 13 13 ALA HB H 1.378 0.000 1 75 13 13 ALA C C 177.971 0.000 1 76 13 13 ALA CA C 52.700 0.000 1 77 13 13 ALA CB C 19.000 0.000 1 78 13 13 ALA N N 125.613 0.000 1 79 14 14 SER H H 8.251 0.000 1 80 14 14 SER HA H 4.354 0.000 1 81 14 14 SER HB2 H 3.882 0.000 2 82 14 14 SER HB3 H 3.825 0.000 2 83 14 14 SER C C 174.834 0.000 1 84 14 14 SER CA C 58.500 0.000 1 85 14 14 SER CB C 63.500 0.000 1 86 14 14 SER N N 114.878 0.000 1 87 15 15 GLU H H 8.332 0.000 1 88 15 15 GLU HA H 4.244 0.000 1 89 15 15 GLU HB2 H 2.044 0.000 2 90 15 15 GLU HB3 H 1.912 0.000 2 91 15 15 GLU C C 176.144 0.000 1 92 15 15 GLU CA C 56.500 0.000 1 93 15 15 GLU CB C 30.235 0.000 1 94 15 15 GLU N N 122.935 0.000 1 95 16 16 ALA H H 8.145 0.000 1 96 16 16 ALA HA H 4.249 0.000 1 97 16 16 ALA HB H 1.345 0.000 1 98 16 16 ALA C C 177.471 0.000 1 99 16 16 ALA CA C 52.376 0.000 1 100 16 16 ALA CB C 19.000 0.000 1 101 16 16 ALA N N 124.413 0.000 1 102 17 17 LEU H H 8.057 0.000 1 103 17 17 LEU HA H 4.288 0.000 1 104 17 17 LEU HB2 H 1.605 0.000 2 105 17 17 LEU HB3 H 1.525 0.000 2 106 17 17 LEU C C 177.049 0.000 1 107 17 17 LEU CA C 54.853 0.000 1 108 17 17 LEU CB C 42.164 0.000 1 109 17 17 LEU N N 121.167 0.000 1 110 18 18 LYS H H 8.244 0.000 1 111 18 18 LYS CA C 53.972 0.000 1 112 18 18 LYS CB C 32.300 0.000 1 113 18 18 LYS N N 123.496 0.000 1 114 19 19 PRO HA H 4.386 0.000 1 115 19 19 PRO HB2 H 2.265 0.000 2 116 19 19 PRO HB3 H 1.901 0.000 2 117 19 19 PRO C C 176.842 0.000 1 118 19 19 PRO CA C 63.300 0.000 1 119 19 19 PRO CB C 31.983 0.000 1 120 20 20 ASP H H 8.454 0.000 1 121 20 20 ASP HA H 4.541 0.000 1 122 20 20 ASP HB2 H 2.675 0.000 2 123 20 20 ASP HB3 H 2.658 0.000 2 124 20 20 ASP C C 176.652 0.000 1 125 20 20 ASP CA C 54.400 0.000 1 126 20 20 ASP CB C 40.881 0.000 1 127 20 20 ASP N N 120.229 0.000 1 128 21 21 SER H H 8.192 0.000 1 129 21 21 SER HA H 4.356 0.000 1 130 21 21 SER HB2 H 3.900 0.000 2 131 21 21 SER HB3 H 3.863 0.000 2 132 21 21 SER C C 174.747 0.000 1 133 21 21 SER CA C 58.812 0.000 1 134 21 21 SER CB C 63.500 0.000 1 135 21 21 SER N N 116.055 0.000 1 136 22 22 GLN H H 8.323 0.000 1 137 22 22 GLN HA H 4.286 0.000 1 138 22 22 GLN HB2 H 2.118 0.000 2 139 22 22 GLN HB3 H 1.959 0.000 2 140 22 22 GLN C C 176.058 0.000 1 141 22 22 GLN CA C 55.955 0.000 1 142 22 22 GLN CB C 29.200 0.000 1 143 22 22 GLN N N 121.604 0.000 1 144 23 23 LYS H H 8.142 0.000 1 145 23 23 LYS HA H 4.254 0.000 1 146 23 23 LYS HB2 H 1.703 0.000 2 147 23 23 LYS HB3 H 1.696 0.000 2 148 23 23 LYS C C 176.454 0.000 1 149 23 23 LYS CA C 56.375 0.000 1 150 23 23 LYS CB C 33.000 0.000 1 151 23 23 LYS N N 122.076 0.000 1 152 24 24 SER H H 8.251 0.000 1 153 24 24 SER HA H 4.389 0.000 1 154 24 24 SER HB2 H 3.807 0.000 2 155 24 24 SER HB3 H 3.786 0.000 2 156 24 24 SER C C 174.377 0.000 1 157 24 24 SER CA C 58.161 0.000 1 158 24 24 SER CB C 63.758 0.000 1 159 24 24 SER N N 116.699 0.000 1 160 25 25 TYR H H 8.192 0.000 1 161 25 25 TYR HA H 4.489 0.000 1 162 25 25 TYR HB2 H 2.923 0.000 2 163 25 25 TYR HB3 H 3.043 0.000 2 164 25 25 TYR C C 175.790 0.000 1 165 25 25 TYR CA C 58.100 0.000 1 166 25 25 TYR CB C 38.547 0.000 1 167 25 25 TYR N N 122.238 0.000 1 168 26 26 ALA H H 8.115 0.000 1 169 26 26 ALA HA H 4.226 0.000 1 170 26 26 ALA HB H 1.323 0.000 1 171 26 26 ALA C C 177.738 0.000 1 172 26 26 ALA CA C 52.700 0.000 1 173 26 26 ALA CB C 19.205 0.000 1 174 26 26 ALA N N 124.691 0.000 1 175 27 27 GLU H H 8.197 0.000 1 176 27 27 GLU HA H 4.184 0.000 1 177 27 27 GLU HB2 H 2.024 0.000 2 178 27 27 GLU HB3 H 1.929 0.000 2 179 27 27 GLU C C 176.626 0.000 1 180 27 27 GLU CA C 56.600 0.000 1 181 27 27 GLU CB C 30.124 0.000 1 182 27 27 GLU N N 119.673 0.000 1 183 28 28 GLN H H 8.273 0.000 1 184 28 28 GLN HA H 4.351 0.000 1 185 28 28 GLN HB2 H 2.143 0.000 2 186 28 28 GLN HB3 H 1.969 0.000 2 187 28 28 GLN C C 176.549 0.000 1 188 28 28 GLN CA C 56.282 0.000 1 189 28 28 GLN CB C 29.310 0.000 1 190 28 28 GLN N N 121.004 0.000 1 191 29 29 GLY H H 8.466 0.000 1 192 29 29 GLY HA2 H 3.930 0.000 2 193 29 29 GLY HA3 H 3.950 0.000 2 194 29 29 GLY C C 174.256 0.000 1 195 29 29 GLY CA C 45.400 0.000 1 196 29 29 GLY N N 110.067 0.000 1 197 30 30 LYS H H 8.039 0.000 1 198 30 30 LYS HA H 4.266 0.000 1 199 30 30 LYS HB2 H 1.752 0.000 2 200 30 30 LYS HB3 H 1.676 0.000 2 201 30 30 LYS C C 176.445 0.000 1 202 30 30 LYS CA C 56.084 0.000 1 203 30 30 LYS CB C 33.000 0.000 1 204 30 30 LYS N N 120.500 0.000 1 205 31 31 GLU H H 8.515 0.000 1 206 31 31 GLU HA H 4.189 0.000 1 207 31 31 GLU HB2 H 1.906 0.000 2 208 31 31 GLU HB3 H 1.833 0.000 2 209 31 31 GLU C C 175.954 0.000 1 210 31 31 GLU CA C 56.600 0.000 1 211 31 31 GLU CB C 30.000 0.000 1 212 31 31 GLU N N 121.348 0.000 1 213 32 32 TYR H H 8.135 0.000 1 214 32 32 TYR HA H 4.547 0.000 1 215 32 32 TYR HB2 H 3.004 0.000 2 216 32 32 TYR HB3 H 2.887 0.000 2 217 32 32 TYR C C 175.402 0.000 1 218 32 32 TYR CA C 57.690 0.000 1 219 32 32 TYR CB C 38.600 0.000 1 220 32 32 TYR N N 121.179 0.000 1 221 33 33 ILE H H 7.980 0.000 1 222 33 33 ILE HA H 4.157 0.000 1 223 33 33 ILE HB H 1.794 0.000 1 224 33 33 ILE C C 176.083 0.000 1 225 33 33 ILE CA C 60.862 0.000 1 226 33 33 ILE CB C 38.600 0.000 1 227 33 33 ILE N N 123.301 0.000 1 228 34 34 THR H H 8.114 0.000 1 229 34 34 THR HA H 4.286 0.000 1 230 34 34 THR HB H 4.178 0.000 1 231 34 34 THR C C 174.118 0.000 1 232 34 34 THR CA C 61.708 0.000 1 233 34 34 THR CB C 69.666 0.000 1 234 34 34 THR N N 118.113 0.000 1 235 35 35 ASP H H 8.287 0.000 1 236 35 35 ASP HA H 4.568 0.000 1 237 35 35 ASP HB2 H 2.654 0.000 2 238 35 35 ASP HB3 H 2.639 0.000 2 239 35 35 ASP C C 176.230 0.000 1 240 35 35 ASP CA C 54.317 0.000 1 241 35 35 ASP CB C 41.212 0.000 1 242 35 35 ASP N N 123.126 0.000 1 243 36 36 LYS H H 8.211 0.000 1 244 36 36 LYS HA H 4.237 0.000 1 245 36 36 LYS HB2 H 1.834 0.000 2 246 36 36 LYS HB3 H 1.714 0.000 2 247 36 36 LYS C C 176.437 0.000 1 248 36 36 LYS CA C 56.293 0.000 1 249 36 36 LYS CB C 32.732 0.000 1 250 36 36 LYS N N 121.597 0.000 1 251 37 37 ALA H H 8.265 0.000 1 252 37 37 ALA HA H 4.245 0.000 1 253 37 37 ALA HB H 1.362 0.000 1 254 37 37 ALA C C 177.549 0.000 1 255 37 37 ALA CA C 52.751 0.000 1 256 37 37 ALA CB C 19.079 0.000 1 257 37 37 ALA N N 124.587 0.000 1 258 38 38 ASP H H 8.221 0.000 1 259 38 38 ASP HA H 4.519 0.000 1 260 38 38 ASP HB2 H 2.636 0.000 2 261 38 38 ASP HB3 H 2.614 0.000 2 262 38 38 ASP C C 176.316 0.000 1 263 38 38 ASP CA C 54.382 0.000 1 264 38 38 ASP CB C 40.900 0.000 1 265 38 38 ASP N N 119.255 0.000 1 266 39 39 LYS H H 8.124 0.000 1 267 39 39 LYS HA H 4.286 0.000 1 268 39 39 LYS HB2 H 1.812 0.000 2 269 39 39 LYS HB3 H 1.746 0.000 2 270 39 39 LYS C C 176.644 0.000 1 271 39 39 LYS CA C 56.174 0.000 1 272 39 39 LYS CB C 32.868 0.000 1 273 39 39 LYS N N 121.329 0.000 1 274 40 40 VAL H H 8.069 0.000 1 275 40 40 VAL HA H 4.042 0.000 1 276 40 40 VAL HB H 2.050 0.000 1 277 40 40 VAL C C 175.989 0.000 1 278 40 40 VAL CA C 62.305 0.000 1 279 40 40 VAL CB C 32.579 0.000 1 280 40 40 VAL N N 120.997 0.000 1 281 41 41 ALA H H 8.338 0.000 1 282 41 41 ALA HA H 4.277 0.000 1 283 41 41 ALA HB H 1.374 0.000 1 284 41 41 ALA C C 178.100 0.000 1 285 41 41 ALA CA C 52.618 0.000 1 286 41 41 ALA CB C 19.141 0.000 1 287 41 41 ALA N N 127.677 0.000 1 288 42 42 GLY H H 8.289 0.000 1 289 42 42 GLY HA2 H 3.896 0.000 2 290 42 42 GLY HA3 H 3.916 0.000 2 291 42 42 GLY C C 173.834 0.000 1 292 42 42 GLY CA C 45.115 0.000 1 293 42 42 GLY N N 108.189 0.000 1 294 43 43 LYS H H 8.074 0.000 1 295 43 43 LYS HA H 4.337 0.000 1 296 43 43 LYS HB2 H 1.788 0.000 2 297 43 43 LYS HB3 H 1.708 0.000 2 298 43 43 LYS C C 176.454 0.000 1 299 43 43 LYS CA C 56.042 0.007 1 300 43 43 LYS CB C 32.979 0.045 1 301 43 43 LYS N N 121.030 0.000 1 302 44 44 VAL H H 8.197 0.000 1 303 44 44 VAL HA H 4.080 0.000 1 304 44 44 VAL HB H 2.004 0.000 1 305 44 44 VAL C C 175.868 0.000 1 306 44 44 VAL CA C 62.077 0.031 1 307 44 44 VAL CB C 32.592 0.031 1 308 44 44 VAL N N 122.275 0.000 1 309 45 45 GLN H H 8.537 0.000 1 310 45 45 GLN CA C 53.331 0.000 1 311 45 45 GLN N N 125.905 0.000 1 312 46 46 PRO HA H 4.373 0.000 1 313 46 46 PRO HB2 H 2.281 0.000 2 314 46 46 PRO HB3 H 1.908 0.000 2 315 46 46 PRO C C 177.040 0.000 1 316 46 46 PRO CA C 63.200 0.000 1 317 46 46 PRO CB C 32.000 0.000 1 318 47 47 GLU H H 8.601 0.000 1 319 47 47 GLU HA H 4.213 0.000 1 320 47 47 GLU HB2 H 2.016 0.000 2 321 47 47 GLU HB3 H 1.910 0.000 2 322 47 47 GLU C C 176.264 0.000 1 323 47 47 GLU CA C 56.600 0.000 1 324 47 47 GLU CB C 30.100 0.000 1 325 47 47 GLU N N 120.673 0.000 1 326 48 48 ASP H H 8.297 0.000 1 327 48 48 ASP HA H 4.561 0.000 1 328 48 48 ASP HB2 H 2.672 0.000 2 329 48 48 ASP HB3 H 2.617 0.000 2 330 48 48 ASP C C 175.885 0.000 1 331 48 48 ASP CA C 54.200 0.000 1 332 48 48 ASP CB C 41.100 0.000 1 333 48 48 ASP N N 121.298 0.000 1 334 49 49 ASN H H 8.335 0.000 1 335 49 49 ASN HA H 4.665 0.000 1 336 49 49 ASN HB2 H 2.806 0.000 2 337 49 49 ASN HB3 H 2.773 0.000 2 338 49 49 ASN C C 175.437 0.000 1 339 49 49 ASN CA C 53.200 0.000 1 340 49 49 ASN CB C 38.609 0.000 1 341 49 49 ASN N N 119.416 0.000 1 342 50 50 LYS H H 8.313 0.000 1 343 50 50 LYS HA H 4.255 0.000 1 344 50 50 LYS HB2 H 1.864 0.000 2 345 50 50 LYS HB3 H 1.782 0.000 2 346 50 50 LYS C C 177.152 0.000 1 347 50 50 LYS CA C 56.600 0.000 1 348 50 50 LYS CB C 32.400 0.000 1 349 50 50 LYS N N 120.989 0.000 1 350 51 51 GLY H H 8.368 0.000 1 351 51 51 GLY HA2 H 3.885 0.000 2 352 51 51 GLY HA3 H 3.901 0.000 2 353 51 51 GLY C C 174.032 0.000 1 354 51 51 GLY CA C 45.300 0.000 1 355 51 51 GLY N N 109.202 0.000 1 356 52 52 VAL H H 7.818 0.000 1 357 52 52 VAL HA H 4.039 0.000 1 358 52 52 VAL HB H 1.958 0.000 1 359 52 52 VAL C C 175.928 0.000 1 360 52 52 VAL CA C 62.205 0.000 1 361 52 52 VAL CB C 32.605 0.000 1 362 52 52 VAL N N 119.230 0.000 1 363 53 53 PHE H H 8.373 0.000 1 364 53 53 PHE HA H 4.606 0.000 1 365 53 53 PHE HB2 H 3.058 0.000 2 366 53 53 PHE HB3 H 3.025 0.000 2 367 53 53 PHE C C 175.583 0.000 1 368 53 53 PHE CA C 57.645 0.000 1 369 53 53 PHE CB C 39.400 0.000 1 370 53 53 PHE N N 124.263 0.000 1 371 54 54 GLN H H 8.305 0.000 1 372 54 54 GLN HA H 4.274 0.000 1 373 54 54 GLN HB2 H 2.050 0.000 2 374 54 54 GLN HB3 H 1.876 0.000 2 375 54 54 GLN C C 175.790 0.000 1 376 54 54 GLN CA C 55.621 0.000 1 377 54 54 GLN CB C 29.471 0.000 1 378 54 54 GLN N N 123.222 0.000 1 379 55 55 GLY H H 7.801 0.000 1 380 55 55 GLY HA2 H 3.851 0.000 2 381 55 55 GLY HA3 H 3.870 0.000 2 382 55 55 GLY C C 173.713 0.000 1 383 55 55 GLY CA C 45.110 0.000 1 384 55 55 GLY N N 109.502 0.000 1 385 56 56 VAL H H 7.987 0.000 1 386 56 56 VAL HA H 4.068 0.000 1 387 56 56 VAL HB H 1.993 0.000 1 388 56 56 VAL C C 176.058 0.000 1 389 56 56 VAL CA C 62.231 0.000 1 390 56 56 VAL CB C 32.685 0.000 1 391 56 56 VAL N N 119.161 0.000 1 392 57 57 HIS H H 8.553 0.000 1 393 57 57 HIS HA H 4.647 0.000 1 394 57 57 HIS HB2 H 3.138 0.000 2 395 57 57 HIS HB3 H 3.031 0.000 2 396 57 57 HIS C C 174.808 0.000 1 397 57 57 HIS CA C 55.865 0.000 1 398 57 57 HIS N N 122.735 0.000 1 399 58 58 ASP H H 8.344 0.000 1 400 58 58 ASP HA H 4.577 0.000 1 401 58 58 ASP HB2 H 2.652 0.000 2 402 58 58 ASP HB3 H 2.594 0.000 2 403 58 58 ASP C C 176.264 0.000 1 404 58 58 ASP CA C 54.261 0.000 1 405 58 58 ASP CB C 41.284 0.000 1 406 58 58 ASP N N 122.404 0.000 1 407 59 59 SER H H 8.338 0.000 1 408 59 59 SER HA H 4.366 0.000 1 409 59 59 SER HB2 H 3.902 0.000 2 410 59 59 SER HB3 H 3.829 0.000 2 411 59 59 SER C C 174.558 0.000 1 412 59 59 SER CA C 58.400 0.000 1 413 59 59 SER CB C 63.600 0.000 1 414 59 59 SER N N 116.758 0.000 1 415 60 60 ALA H H 8.360 0.000 1 416 60 60 ALA HA H 4.277 0.000 1 417 60 60 ALA HB H 1.380 0.000 1 418 60 60 ALA C C 177.902 0.000 1 419 60 60 ALA CA C 52.700 0.000 1 420 60 60 ALA CB C 19.000 0.000 1 421 60 60 ALA N N 125.820 0.000 1 422 61 61 GLU H H 8.234 0.000 1 423 61 61 GLU HA H 4.214 0.000 1 424 61 61 GLU HB2 H 2.019 0.000 2 425 61 61 GLU HB3 H 1.919 0.000 2 426 61 61 GLU C C 176.626 0.000 1 427 61 61 GLU CA C 56.576 0.000 1 428 61 61 GLU CB C 30.091 0.000 1 429 61 61 GLU N N 119.796 0.000 1 430 62 62 LYS H H 8.253 0.000 1 431 62 62 LYS CA C 56.429 0.000 1 432 62 62 LYS CB C 32.871 0.000 1 433 62 62 LYS N N 122.508 0.000 1 434 66 66 ASN HA H 4.655 0.000 1 435 66 66 ASN HB2 H 2.805 0.000 2 436 66 66 ASN HB3 H 2.731 0.000 2 437 66 66 ASN C C 175.084 0.000 1 438 66 66 ASN CA C 52.877 0.000 1 439 66 66 ASN CB C 38.822 0.000 1 440 67 67 ALA H H 8.303 0.000 1 441 67 67 ALA HA H 4.267 0.000 1 442 67 67 ALA HB H 1.372 0.000 1 443 67 67 ALA C C 177.876 0.000 1 444 67 67 ALA CA C 52.700 0.000 1 445 67 67 ALA CB C 19.100 0.000 1 446 67 67 ALA N N 124.309 0.000 1 447 68 68 GLU H H 8.353 0.000 1 448 68 68 GLU HA H 4.235 0.000 1 449 68 68 GLU HB2 H 2.049 0.000 2 450 68 68 GLU HB3 H 1.950 0.000 2 451 68 68 GLU C C 177.247 0.000 1 452 68 68 GLU CA C 56.847 0.000 1 453 68 68 GLU CB C 30.000 0.000 1 454 68 68 GLU N N 119.713 0.000 1 455 69 69 GLY H H 8.402 0.000 1 456 69 69 GLY HA2 H 3.930 0.000 2 457 69 69 GLY HA3 H 3.951 0.000 2 458 69 69 GLY C C 174.325 0.000 1 459 69 69 GLY CA C 45.400 0.000 1 460 69 69 GLY N N 109.950 0.000 1 461 70 70 GLN H H 8.238 0.000 1 462 70 70 GLN HA H 4.254 0.000 1 463 70 70 GLN HB2 H 2.089 0.000 2 464 70 70 GLN HB3 H 1.968 0.000 2 465 70 70 GLN C C 176.566 0.000 1 466 70 70 GLN CA C 55.785 0.000 1 467 70 70 GLN CB C 29.400 0.000 1 468 70 70 GLN N N 119.648 0.000 1 469 71 71 GLY H H 8.469 0.000 1 470 71 71 GLY HA2 H 3.930 0.000 2 471 71 71 GLY HA3 H 3.950 0.000 2 472 71 71 GLY C C 174.144 0.000 1 473 71 71 GLY CA C 45.267 0.000 1 474 71 71 GLY N N 110.153 0.000 1 475 72 72 GLU H H 8.336 0.000 1 476 72 72 GLU HA H 4.298 0.000 1 477 72 72 GLU HB2 H 2.036 0.000 2 478 72 72 GLU HB3 H 1.909 0.000 2 479 72 72 GLU C C 176.661 0.000 1 480 72 72 GLU CA C 56.486 0.000 1 481 72 72 GLU CB C 30.397 0.000 1 482 72 72 GLU N N 120.818 0.000 1 483 73 73 SER H H 8.458 0.000 1 484 73 73 SER HA H 4.439 0.000 1 485 73 73 SER HB2 H 3.873 0.000 2 486 73 73 SER HB3 H 3.864 0.000 2 487 73 73 SER C C 174.782 0.000 1 488 73 73 SER CA C 58.165 0.000 1 489 73 73 SER CB C 63.661 0.000 1 490 73 73 SER N N 117.144 0.000 1 491 74 74 LEU H H 8.338 0.000 1 492 74 74 LEU HA H 4.288 0.000 1 493 74 74 LEU HB2 H 1.617 0.000 2 494 74 74 LEU HB3 H 1.567 0.000 2 495 74 74 LEU C C 177.678 0.000 1 496 74 74 LEU CA C 55.476 0.000 1 497 74 74 LEU CB C 42.000 0.000 1 498 74 74 LEU N N 124.496 0.000 1 499 75 75 ALA H H 8.201 0.000 1 500 75 75 ALA HA H 4.211 0.000 1 501 75 75 ALA HB H 1.356 0.000 1 502 75 75 ALA C C 177.971 0.000 1 503 75 75 ALA CA C 53.000 0.000 1 504 75 75 ALA CB C 18.951 0.000 1 505 75 75 ALA N N 123.940 0.000 1 506 76 76 ASP H H 8.154 0.000 1 507 76 76 ASP HA H 4.485 0.000 1 508 76 76 ASP HB2 H 2.673 0.000 2 509 76 76 ASP HB3 H 2.625 0.000 2 510 76 76 ASP C C 176.652 0.000 1 511 76 76 ASP CA C 54.700 0.000 1 512 76 76 ASP CB C 40.800 0.000 1 513 76 76 ASP N N 118.990 0.000 1 514 77 77 GLN H H 8.129 0.000 1 515 77 77 GLN HA H 4.222 0.000 1 516 77 77 GLN HB2 H 2.117 0.000 2 517 77 77 GLN HB3 H 1.971 0.000 2 518 77 77 GLN C C 176.101 0.000 1 519 77 77 GLN CA C 56.244 0.000 1 520 77 77 GLN CB C 29.200 0.000 1 521 77 77 GLN N N 120.084 0.000 1 522 78 78 ALA H H 8.167 0.000 1 523 78 78 ALA HA H 4.249 0.000 1 524 78 78 ALA HB H 1.389 0.000 1 525 78 78 ALA C C 177.988 0.000 1 526 78 78 ALA CA C 52.819 0.000 1 527 78 78 ALA CB C 18.842 0.000 1 528 78 78 ALA N N 123.868 0.000 1 529 79 79 ARG H H 8.057 0.000 1 530 79 79 ARG HA H 4.231 0.000 1 531 79 79 ARG HB2 H 1.739 0.000 2 532 79 79 ARG HB3 H 1.725 0.000 2 533 79 79 ARG C C 176.204 0.000 1 534 79 79 ARG CA C 56.300 0.000 1 535 79 79 ARG CB C 30.700 0.000 1 536 79 79 ARG N N 119.554 0.000 1 537 80 80 ASP H H 8.215 0.000 1 538 80 80 ASP HA H 4.543 0.000 1 539 80 80 ASP HB2 H 2.609 0.000 2 540 80 80 ASP HB3 H 2.584 0.000 2 541 80 80 ASP C C 176.273 0.000 1 542 80 80 ASP CA C 54.200 0.000 1 543 80 80 ASP CB C 40.800 0.000 1 544 80 80 ASP N N 120.316 0.000 1 545 81 81 TYR H H 8.023 0.000 1 546 81 81 TYR HA H 4.470 0.000 1 547 81 81 TYR HB2 H 3.020 0.000 2 548 81 81 TYR HB3 H 3.014 0.000 2 549 81 81 TYR C C 176.230 0.000 1 550 81 81 TYR CA C 58.399 0.000 1 551 81 81 TYR CB C 38.304 0.000 1 552 81 81 TYR N N 120.471 0.000 1 553 82 82 MET H H 8.202 0.000 1 554 82 82 MET HA H 4.361 0.000 1 555 82 82 MET HB2 H 2.047 0.000 2 556 82 82 MET HB3 H 1.948 0.000 2 557 82 82 MET C C 176.764 0.000 1 558 82 82 MET CA C 55.725 0.000 1 559 82 82 MET CB C 32.334 0.000 1 560 82 82 MET N N 121.552 0.000 1 561 83 83 GLY H H 7.850 0.000 1 562 83 83 GLY HA2 H 3.858 0.000 2 563 83 83 GLY HA3 H 3.866 0.000 2 564 83 83 GLY C C 173.997 0.000 1 565 83 83 GLY CA C 45.442 0.000 1 566 83 83 GLY N N 108.993 0.000 1 567 84 84 ALA H H 8.081 0.000 1 568 84 84 ALA HA H 4.265 0.000 1 569 84 84 ALA HB H 1.362 0.000 1 570 84 84 ALA C C 177.781 0.000 1 571 84 84 ALA CA C 52.500 0.000 1 572 84 84 ALA CB C 19.016 0.000 1 573 84 84 ALA N N 123.774 0.000 1 574 85 85 ALA H H 8.219 0.000 1 575 85 85 ALA HA H 4.239 0.000 1 576 85 85 ALA HB H 1.364 0.000 1 577 85 85 ALA C C 178.023 0.000 1 578 85 85 ALA CA C 52.643 0.000 1 579 85 85 ALA CB C 18.929 0.000 1 580 85 85 ALA N N 122.869 0.000 1 581 86 86 LYS H H 8.172 0.000 1 582 86 86 LYS HA H 4.255 0.000 1 583 86 86 LYS HB2 H 1.822 0.000 2 584 86 86 LYS HB3 H 1.726 0.000 2 585 86 86 LYS C C 176.790 0.000 1 586 86 86 LYS CA C 56.353 0.000 1 587 86 86 LYS CB C 32.890 0.000 1 588 86 86 LYS N N 120.225 0.000 1 589 87 87 SER H H 8.199 0.000 1 590 87 87 SER HA H 4.381 0.000 1 591 87 87 SER HB2 H 3.859 0.000 2 592 87 87 SER HB3 H 3.831 0.000 2 593 87 87 SER C C 174.506 0.000 1 594 87 87 SER CA C 58.392 0.000 1 595 87 87 SER CB C 63.733 0.000 1 596 87 87 SER N N 116.523 0.000 1 597 88 88 LYS H H 8.297 0.000 1 598 88 88 LYS HA H 4.311 0.000 1 599 88 88 LYS HB2 H 1.839 0.000 2 600 88 88 LYS HB3 H 1.726 0.000 2 601 88 88 LYS C C 176.514 0.000 1 602 88 88 LYS CA C 56.307 0.000 1 603 88 88 LYS CB C 32.800 0.000 1 604 88 88 LYS N N 123.176 0.000 1 605 89 89 LEU H H 8.164 0.000 1 606 89 89 LEU HA H 4.274 0.000 1 607 89 89 LEU HB2 H 1.608 0.000 2 608 89 89 LEU HB3 H 1.545 0.000 2 609 89 89 LEU C C 177.161 0.000 1 610 89 89 LEU CA C 55.200 0.000 1 611 89 89 LEU CB C 42.148 0.000 1 612 89 89 LEU N N 122.736 0.000 1 613 90 90 ASN H H 8.324 0.000 1 614 90 90 ASN HA H 4.646 0.000 1 615 90 90 ASN HB2 H 2.815 0.000 2 616 90 90 ASN HB3 H 2.713 0.000 2 617 90 90 ASN C C 174.859 0.000 1 618 90 90 ASN CA C 53.200 0.000 1 619 90 90 ASN CB C 38.800 0.000 1 620 90 90 ASN N N 118.867 0.000 1 621 91 91 ASP H H 8.182 0.000 1 622 91 91 ASP HA H 4.532 0.000 1 623 91 91 ASP HB2 H 2.640 0.000 2 624 91 91 ASP HB3 H 2.628 0.000 2 625 91 91 ASP C C 175.868 0.000 1 626 91 91 ASP CA C 54.376 0.000 1 627 91 91 ASP CB C 41.033 0.000 1 628 91 91 ASP N N 120.756 0.000 1 629 92 92 ALA H H 8.091 0.000 1 630 92 92 ALA HA H 4.302 0.000 1 631 92 92 ALA HB H 1.364 0.000 1 632 92 92 ALA C C 177.652 0.000 1 633 92 92 ALA CA C 52.501 0.000 1 634 92 92 ALA CB C 19.100 0.000 1 635 92 92 ALA N N 123.794 0.000 1 636 93 93 VAL H H 7.980 0.000 1 637 93 93 VAL HA H 4.006 0.000 1 638 93 93 VAL HB H 1.991 0.000 1 639 93 93 VAL C C 176.006 0.000 1 640 93 93 VAL CA C 62.319 0.000 1 641 93 93 VAL CB C 32.675 0.000 1 642 93 93 VAL N N 119.263 0.000 1 643 94 94 GLU H H 8.347 0.000 1 644 94 94 GLU HA H 4.229 0.000 1 645 94 94 GLU HB2 H 1.913 0.000 2 646 94 94 GLU HB3 H 1.844 0.000 2 647 94 94 GLU C C 175.937 0.000 1 648 94 94 GLU CA C 56.355 0.000 1 649 94 94 GLU CB C 30.300 0.000 1 650 94 94 GLU N N 123.985 0.000 1 651 95 95 TYR H H 8.227 0.000 1 652 95 95 TYR HA H 4.537 0.000 1 653 95 95 TYR HB2 H 2.958 0.000 2 654 95 95 TYR HB3 H 2.938 0.000 2 655 95 95 TYR C C 175.652 0.000 1 656 95 95 TYR CA C 57.980 0.000 1 657 95 95 TYR CB C 38.700 0.000 1 658 95 95 TYR N N 122.116 0.000 1 659 96 96 VAL H H 7.996 0.000 1 660 96 96 VAL HA H 4.031 0.000 1 661 96 96 VAL HB H 1.977 0.000 1 662 96 96 VAL C C 175.980 0.000 1 663 96 96 VAL CA C 62.143 0.000 1 664 96 96 VAL CB C 32.900 0.000 1 665 96 96 VAL N N 122.848 0.000 1 666 97 97 SER H H 8.324 0.000 1 667 97 97 SER HA H 4.321 0.000 1 668 97 97 SER HB2 H 3.871 0.000 2 669 97 97 SER HB3 H 3.856 0.000 2 670 97 97 SER C C 175.118 0.000 1 671 97 97 SER CA C 58.547 0.000 1 672 97 97 SER CB C 63.596 0.000 1 673 97 97 SER N N 119.242 0.000 1 674 98 98 GLY H H 8.363 0.000 1 675 98 98 GLY HA2 H 3.914 0.000 2 676 98 98 GLY HA3 H 3.958 0.000 2 677 98 98 GLY C C 174.153 0.000 1 678 98 98 GLY CA C 45.200 0.000 1 679 98 98 GLY N N 110.810 0.000 1 680 99 99 ARG H H 8.141 0.000 1 681 99 99 ARG HA H 4.332 0.000 1 682 99 99 ARG HB2 H 1.763 0.000 2 683 99 99 ARG HB3 H 1.686 0.000 2 684 99 99 ARG C C 176.239 0.000 1 685 99 99 ARG CA C 56.214 0.000 1 686 99 99 ARG CB C 32.986 0.000 1 687 99 99 ARG N N 120.756 0.000 1 688 100 100 VAL H H 8.212 0.000 1 689 100 100 VAL HA H 4.043 0.000 1 690 100 100 VAL HB H 1.971 0.000 1 691 100 100 VAL C C 175.945 0.000 1 692 100 100 VAL CA C 62.192 0.000 1 693 100 100 VAL CB C 32.600 0.000 1 694 100 100 VAL N N 121.753 0.000 1 695 101 101 HIS H H 8.564 0.000 1 696 101 101 HIS HA H 4.600 0.000 1 697 101 101 HIS HB2 H 3.137 0.000 2 698 101 101 HIS HB3 H 3.074 0.000 2 699 101 101 HIS C C 175.558 0.000 1 700 101 101 HIS CA C 56.183 0.000 1 701 101 101 HIS CB C 30.352 0.000 1 702 101 101 HIS N N 122.894 0.000 1 703 102 102 GLY H H 8.427 0.000 1 704 102 102 GLY HA2 H 3.903 0.000 2 705 102 102 GLY HA3 H 3.922 0.000 2 706 102 102 GLY C C 173.937 0.000 1 707 102 102 GLY CA C 45.195 0.000 1 708 102 102 GLY N N 111.012 0.000 1 709 103 103 GLU H H 8.359 0.000 1 710 103 103 GLU HA H 4.278 0.000 1 711 103 103 GLU HB2 H 2.039 0.000 2 712 103 103 GLU HB3 H 1.890 0.000 2 713 103 103 GLU C C 176.420 0.000 1 714 103 103 GLU CA C 56.200 0.000 1 715 103 103 GLU CB C 30.364 0.000 1 716 103 103 GLU N N 120.756 0.000 1 717 104 104 GLU H H 8.491 0.000 1 718 104 104 GLU HA H 4.232 0.000 1 719 104 104 GLU HB2 H 1.981 0.000 2 720 104 104 GLU HB3 H 1.882 0.000 2 721 104 104 GLU C C 175.816 0.000 1 722 104 104 GLU CA C 56.200 0.000 1 723 104 104 GLU CB C 30.317 0.000 1 724 104 104 GLU N N 121.983 0.000 1 725 105 105 ASP H H 8.415 0.000 1 726 105 105 ASP CA C 51.533 0.000 1 727 105 105 ASP CB C 41.300 0.000 1 728 105 105 ASP N N 122.877 0.000 1 729 106 106 PRO HA H 4.450 0.000 1 730 106 106 PRO HB2 H 2.292 0.000 2 731 106 106 PRO HB3 H 2.008 0.000 2 732 106 106 PRO C C 177.531 0.000 1 733 106 106 PRO CA C 63.600 0.000 1 734 106 106 PRO CB C 32.100 0.000 1 735 107 107 THR H H 8.336 0.000 1 736 107 107 THR HA H 4.240 0.000 1 737 107 107 THR HB H 4.222 0.000 1 738 107 107 THR C C 174.747 0.000 1 739 107 107 THR CA C 62.600 0.000 1 740 107 107 THR CB C 69.300 0.000 1 741 107 107 THR N N 112.406 0.000 1 742 108 108 LYS H H 7.788 0.000 1 743 108 108 LYS HA H 4.328 0.000 1 744 108 108 LYS HB2 H 1.872 0.000 2 745 108 108 LYS HB3 H 1.728 0.000 2 746 108 108 LYS C C 175.308 0.000 1 747 108 108 LYS CA C 55.993 0.000 1 748 108 108 LYS CB C 32.771 0.000 1 749 108 108 LYS N N 123.732 0.000 1 750 109 109 LYS H H 7.789 0.000 1 751 109 109 LYS CA C 57.518 0.000 1 752 109 109 LYS CB C 33.619 0.000 1 753 109 109 LYS N N 128.317 0.000 1 stop_ save_