data_25482 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structural studies of GTP:adenosylcobinamide-phosphate guanylyltransferase (CobY) from Methanocaldococcus jannaschii ; _BMRB_accession_number 25482 _BMRB_flat_file_name bmr25482.str _Entry_type original _Submission_date 2015-02-11 _Accession_date 2015-02-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution NMR Structure of CobY' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singarapu 'Kiran Kumar' . . 2 Otte Michele . . 3 Tonelli Marco . . 4 Westler William M. . 5 Escalante-Semerena Jorge C. . 6 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1112 "13C chemical shifts" 705 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-11-09 original BMRB . stop_ _Original_release_date 2015-11-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structural Studies of GTP:Adenosylcobinamide-Phosphateguanylyl Transferase (CobY) from Methanocaldococcus jannaschii ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26513744 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singarapu 'Kiran Kumar' . . 2 Otte Michele . . 3 Tonelli Marco . . 4 Westler William M. . 5 Escalante-Semerena Jorge C. . 6 Markley John L. . stop_ _Journal_abbreviation 'Plos One' _Journal_volume 10 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e0141297 _Page_last e0141297 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GTP:adenosylcobinamide-phosphate guanylyltransferase (CobY)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CobY $CobY 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_CobY _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CobY _Molecular_mass 21770.621 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 196 _Mol_residue_sequence ; MDALIMAGGKGTRMGGVEKP LIKLCGRCLIDYVVSPLLKS KVNNIFIATSPNTPKTKEYI NSAYKDYKNIVVIDTSGKGY IEDLNECIGYFSEPFLVVSS DLINLKSKIINSIVDYFYCI KAKTPDVEALAVMIPKEKYP NPSIDFNGLVPAGINVVSPK HGYQKEEIMVIDELIFNINT KDDLKLAEMLLKKDGL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASP 3 3 ALA 4 4 LEU 5 5 ILE 6 6 MET 7 7 ALA 8 8 GLY 9 9 GLY 10 10 LYS 11 11 GLY 12 12 THR 13 13 ARG 14 14 MET 15 15 GLY 16 16 GLY 17 17 VAL 18 18 GLU 19 19 LYS 20 20 PRO 21 21 LEU 22 22 ILE 23 23 LYS 24 24 LEU 25 25 CYS 26 26 GLY 27 27 ARG 28 28 CYS 29 29 LEU 30 30 ILE 31 31 ASP 32 32 TYR 33 33 VAL 34 34 VAL 35 35 SER 36 36 PRO 37 37 LEU 38 38 LEU 39 39 LYS 40 40 SER 41 41 LYS 42 42 VAL 43 43 ASN 44 44 ASN 45 45 ILE 46 46 PHE 47 47 ILE 48 48 ALA 49 49 THR 50 50 SER 51 51 PRO 52 52 ASN 53 53 THR 54 54 PRO 55 55 LYS 56 56 THR 57 57 LYS 58 58 GLU 59 59 TYR 60 60 ILE 61 61 ASN 62 62 SER 63 63 ALA 64 64 TYR 65 65 LYS 66 66 ASP 67 67 TYR 68 68 LYS 69 69 ASN 70 70 ILE 71 71 VAL 72 72 VAL 73 73 ILE 74 74 ASP 75 75 THR 76 76 SER 77 77 GLY 78 78 LYS 79 79 GLY 80 80 TYR 81 81 ILE 82 82 GLU 83 83 ASP 84 84 LEU 85 85 ASN 86 86 GLU 87 87 CYS 88 88 ILE 89 89 GLY 90 90 TYR 91 91 PHE 92 92 SER 93 93 GLU 94 94 PRO 95 95 PHE 96 96 LEU 97 97 VAL 98 98 VAL 99 99 SER 100 100 SER 101 101 ASP 102 102 LEU 103 103 ILE 104 104 ASN 105 105 LEU 106 106 LYS 107 107 SER 108 108 LYS 109 109 ILE 110 110 ILE 111 111 ASN 112 112 SER 113 113 ILE 114 114 VAL 115 115 ASP 116 116 TYR 117 117 PHE 118 118 TYR 119 119 CYS 120 120 ILE 121 121 LYS 122 122 ALA 123 123 LYS 124 124 THR 125 125 PRO 126 126 ASP 127 127 VAL 128 128 GLU 129 129 ALA 130 130 LEU 131 131 ALA 132 132 VAL 133 133 MET 134 134 ILE 135 135 PRO 136 136 LYS 137 137 GLU 138 138 LYS 139 139 TYR 140 140 PRO 141 141 ASN 142 142 PRO 143 143 SER 144 144 ILE 145 145 ASP 146 146 PHE 147 147 ASN 148 148 GLY 149 149 LEU 150 150 VAL 151 151 PRO 152 152 ALA 153 153 GLY 154 154 ILE 155 155 ASN 156 156 VAL 157 157 VAL 158 158 SER 159 159 PRO 160 160 LYS 161 161 HIS 162 162 GLY 163 163 TYR 164 164 GLN 165 165 LYS 166 166 GLU 167 167 GLU 168 168 ILE 169 169 MET 170 170 VAL 171 171 ILE 172 172 ASP 173 173 GLU 174 174 LEU 175 175 ILE 176 176 PHE 177 177 ASN 178 178 ILE 179 179 ASN 180 180 THR 181 181 LYS 182 182 ASP 183 183 ASP 184 184 LEU 185 185 LYS 186 186 LEU 187 187 ALA 188 188 GLU 189 189 MET 190 190 LEU 191 191 LEU 192 192 LYS 193 193 LYS 194 194 ASP 195 195 GLY 196 196 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MZB "Solution Structural Studies Of Gtp:adenosylcobinamide-phosphate Guanylyltransferase (coby) From Methanocaldococcus Jannaschii" 100.00 196 100.00 100.00 1.98e-135 PDB 3RSB "Structure Of The Archaeal Gtp:adocbi-P Guanylyltransferase (Coby) From Methanocaldococcus Jannaschii" 99.49 196 96.92 96.92 2.81e-128 GB AAB99118 "conserved hypothetical protein [Methanocaldococcus jannaschii DSM 2661]" 100.00 196 100.00 100.00 1.98e-135 SP Q58517 "RecName: Full=Adenosylcobinamide-phosphate guanylyltransferase; Short=AdoCbi-P guanylyltransferase" 100.00 196 100.00 100.00 1.98e-135 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CobY euryarchaeotes 2190 Archaea . Methanococcus jannaschii 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 $CobY 'recombinant technology' . Escherichia coli . pCobY14 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 $CobY 2.0 mM '[U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' TRIS 50 mM 'natural abundance' DTT 5 mM 'natural abundance' NaCl 50 mM 'natural abundance' MgCl2 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CobY 2.0 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' TRIS 50 mM 'natural abundance' DTT 5 mM 'natural abundance' NaCl 50 mM 'natural abundance' MgCl2 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_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_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Procheck _Saveframe_category software _Name Procheck _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . stop_ loop_ _Task 'structure solution' 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 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 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 . pH pressure 1 . atm temperature 313 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CobY _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 4.101 0.004 1 2 1 1 MET HB2 H 2.470 0.001 2 3 1 1 MET HB3 H 1.951 0.002 2 4 1 1 MET HG2 H 3.096 0.001 2 5 1 1 MET HG3 H 3.072 0.012 2 6 1 1 MET HE H 1.640 0.002 1 7 1 1 MET C C 171.838 0.000 1 8 1 1 MET CA C 56.315 0.000 1 9 1 1 MET CB C 34.627 0.000 1 10 1 1 MET CG C 30.918 0.000 1 11 1 1 MET CE C 16.568 0.000 1 12 2 2 ASP H H 9.699 0.006 1 13 2 2 ASP HA H 5.596 0.003 1 14 2 2 ASP HB2 H 3.331 0.001 2 15 2 2 ASP HB3 H 3.101 0.003 2 16 2 2 ASP C C 173.803 0.000 1 17 2 2 ASP CA C 53.836 0.000 1 18 2 2 ASP CB C 43.829 0.000 1 19 2 2 ASP N N 129.376 0.000 1 20 3 3 ALA H H 8.944 0.003 1 21 3 3 ALA HA H 5.754 0.001 1 22 3 3 ALA HB H 1.309 0.001 1 23 3 3 ALA C C 174.197 0.000 1 24 3 3 ALA CA C 49.866 0.000 1 25 3 3 ALA CB C 24.963 0.000 1 26 3 3 ALA N N 118.044 0.000 1 27 4 4 LEU H H 9.674 0.003 1 28 4 4 LEU HA H 5.504 0.001 1 29 4 4 LEU HB2 H 2.049 0.001 2 30 4 4 LEU HB3 H 1.376 0.003 2 31 4 4 LEU HG H 1.391 0.012 1 32 4 4 LEU HD1 H 0.962 0.002 2 33 4 4 LEU HD2 H 0.934 0.001 2 34 4 4 LEU C C 174.914 0.000 1 35 4 4 LEU CA C 52.626 0.000 1 36 4 4 LEU CB C 45.856 0.000 1 37 4 4 LEU CG C 27.794 0.000 1 38 4 4 LEU CD1 C 23.484 0.000 1 39 4 4 LEU CD2 C 27.349 0.000 1 40 4 4 LEU N N 123.662 0.000 1 41 5 5 ILE H H 9.470 0.005 1 42 5 5 ILE HA H 4.879 0.002 1 43 5 5 ILE HB H 1.753 0.000 1 44 5 5 ILE HG12 H 1.438 0.014 2 45 5 5 ILE HG13 H 1.612 0.013 2 46 5 5 ILE HG2 H 0.641 0.000 1 47 5 5 ILE HD1 H 0.535 0.001 1 48 5 5 ILE C C 176.299 0.000 1 49 5 5 ILE CA C 59.366 0.000 1 50 5 5 ILE CB C 38.715 0.000 1 51 5 5 ILE CG1 C 27.538 0.000 1 52 5 5 ILE CG2 C 16.552 0.000 1 53 5 5 ILE CD1 C 15.064 0.000 1 54 5 5 ILE N N 124.004 0.000 1 55 6 6 MET H H 8.631 0.002 1 56 6 6 MET HA H 4.594 0.013 1 57 6 6 MET HB2 H 2.423 0.005 2 58 6 6 MET HB3 H 2.412 0.002 2 59 6 6 MET HG2 H 2.183 0.012 2 60 6 6 MET HG3 H 2.159 0.005 2 61 6 6 MET HE H 1.732 0.000 1 62 6 6 MET C C 175.171 0.000 1 63 6 6 MET CA C 54.699 0.000 1 64 6 6 MET CB C 32.126 0.000 1 65 6 6 MET CG C 31.356 0.000 1 66 6 6 MET CE C 17.757 0.000 1 67 6 6 MET N N 126.181 0.000 1 68 7 7 ALA H H 8.401 0.004 1 69 7 7 ALA HA H 4.756 0.009 1 70 7 7 ALA HB H 1.243 0.006 1 71 7 7 ALA C C 176.436 0.000 1 72 7 7 ALA CA C 51.103 0.000 1 73 7 7 ALA CB C 19.036 0.000 1 74 7 7 ALA N N 130.960 0.000 1 75 8 8 GLY H H 8.134 0.000 1 76 8 8 GLY HA2 H 3.511 0.002 2 77 8 8 GLY HA3 H 4.343 0.001 2 78 8 8 GLY CA C 45.373 0.000 1 79 8 8 GLY N N 104.612 0.000 1 80 20 20 PRO HA H 4.249 0.008 1 81 20 20 PRO HB2 H 1.981 0.000 2 82 20 20 PRO HB3 H 2.246 0.013 2 83 20 20 PRO HG2 H 2.061 0.013 2 84 20 20 PRO HG3 H 2.195 0.013 2 85 20 20 PRO HD2 H 3.871 0.000 2 86 20 20 PRO HD3 H 3.291 0.002 2 87 20 20 PRO C C 174.949 0.000 1 88 20 20 PRO CA C 65.266 0.000 1 89 20 20 PRO CB C 32.111 0.000 1 90 20 20 PRO CG C 27.974 0.000 1 91 20 20 PRO CD C 50.152 0.000 1 92 21 21 LEU H H 7.497 0.002 1 93 21 21 LEU HA H 4.285 0.001 1 94 21 21 LEU HB2 H 1.620 0.001 2 95 21 21 LEU HB3 H 1.481 0.012 2 96 21 21 LEU HG H 1.594 0.012 1 97 21 21 LEU HD1 H 0.621 0.009 2 98 21 21 LEU HD2 H 0.439 0.005 2 99 21 21 LEU C C 177.307 0.000 1 100 21 21 LEU CA C 52.514 0.000 1 101 21 21 LEU CB C 41.059 0.000 1 102 21 21 LEU CG C 25.752 0.000 1 103 21 21 LEU CD1 C 25.564 0.000 1 104 21 21 LEU CD2 C 22.311 0.000 1 105 21 21 LEU N N 109.333 0.000 1 106 22 22 ILE H H 7.550 0.008 1 107 22 22 ILE HA H 3.625 0.002 1 108 22 22 ILE HB H 1.784 0.013 1 109 22 22 ILE HG12 H 1.124 0.002 2 110 22 22 ILE HG13 H 1.724 0.013 2 111 22 22 ILE HG2 H 0.831 0.012 1 112 22 22 ILE HD1 H 0.844 0.003 1 113 22 22 ILE C C 175.359 0.000 1 114 22 22 ILE CA C 62.818 0.000 1 115 22 22 ILE CB C 38.046 0.000 1 116 22 22 ILE CG1 C 28.330 0.000 1 117 22 22 ILE CG2 C 17.260 0.000 1 118 22 22 ILE CD1 C 14.314 0.000 1 119 22 22 ILE N N 122.694 0.000 1 120 23 23 LYS H H 7.973 0.000 1 121 23 23 LYS HA H 4.634 0.002 1 122 23 23 LYS HB2 H 1.755 0.001 2 123 23 23 LYS HB3 H 1.345 0.000 2 124 23 23 LYS HG2 H 1.216 0.012 2 125 23 23 LYS HG3 H 1.453 0.011 2 126 23 23 LYS HD2 H 1.460 0.002 2 127 23 23 LYS HD3 H 1.456 0.005 2 128 23 23 LYS HE2 H 2.896 0.002 2 129 23 23 LYS HE3 H 2.887 0.004 2 130 23 23 LYS C C 176.214 0.000 1 131 23 23 LYS CA C 55.008 0.000 1 132 23 23 LYS CB C 33.136 0.000 1 133 23 23 LYS CG C 24.854 0.000 1 134 23 23 LYS N N 124.165 0.000 1 135 24 24 LEU H H 9.010 0.001 1 136 24 24 LEU HA H 4.688 0.001 1 137 24 24 LEU HB2 H 1.274 0.005 2 138 24 24 LEU HB3 H 1.563 0.012 2 139 24 24 LEU HG H 1.467 0.020 1 140 24 24 LEU HD1 H 0.821 0.003 2 141 24 24 LEU HD2 H 0.545 0.009 2 142 24 24 LEU CA C 53.800 0.000 1 143 24 24 LEU CB C 44.599 0.000 1 144 24 24 LEU CG C 26.770 0.000 1 145 24 24 LEU CD1 C 24.730 0.000 1 146 24 24 LEU CD2 C 26.442 0.000 1 147 24 24 LEU N N 124.041 0.000 1 148 25 25 CYS H H 8.445 0.000 1 149 25 25 CYS HA H 3.989 0.012 1 150 25 25 CYS HB2 H 2.856 0.003 2 151 25 25 CYS HB3 H 3.288 0.007 2 152 25 25 CYS CA C 59.797 0.000 1 153 25 25 CYS CB C 26.086 0.000 1 154 26 26 GLY H H 8.564 0.014 1 155 26 26 GLY HA2 H 3.577 0.012 2 156 26 26 GLY HA3 H 4.192 0.011 2 157 26 26 GLY C C 173.581 0.000 1 158 26 26 GLY CA C 45.369 0.000 1 159 27 27 ARG H H 7.601 0.005 1 160 27 27 ARG HA H 4.829 0.000 1 161 27 27 ARG HB2 H 1.846 0.012 2 162 27 27 ARG HB3 H 1.534 0.004 2 163 27 27 ARG HG2 H 1.512 0.013 2 164 27 27 ARG HG3 H 1.560 0.013 2 165 27 27 ARG HD2 H 2.771 0.013 2 166 27 27 ARG HD3 H 2.832 0.001 2 167 27 27 ARG C C 174.966 0.000 1 168 27 27 ARG CA C 53.755 0.000 1 169 27 27 ARG CB C 32.609 0.000 1 170 27 27 ARG CG C 26.570 0.000 1 171 27 27 ARG CD C 42.983 0.000 1 172 27 27 ARG N N 119.594 0.000 1 173 28 28 CYS H H 8.541 0.006 1 174 28 28 CYS HA H 4.372 0.012 1 175 28 28 CYS HB2 H 2.504 0.004 2 176 28 28 CYS HB3 H 3.315 0.003 2 177 28 28 CYS C C 176.419 0.000 1 178 28 28 CYS CA C 59.667 0.000 1 179 28 28 CYS CB C 27.708 0.000 1 180 28 28 CYS N N 121.233 0.000 1 181 29 29 LEU H H 8.727 0.006 1 182 29 29 LEU HA H 4.244 0.010 1 183 29 29 LEU HB2 H 1.847 0.005 2 184 29 29 LEU HB3 H 1.696 0.012 2 185 29 29 LEU HG H 1.976 0.012 1 186 29 29 LEU HD1 H 0.735 0.005 2 187 29 29 LEU HD2 H 0.768 0.004 2 188 29 29 LEU C C 179.171 0.000 1 189 29 29 LEU CA C 58.820 0.000 1 190 29 29 LEU CB C 41.126 0.000 1 191 29 29 LEU CG C 26.437 0.000 1 192 29 29 LEU CD1 C 24.730 0.000 1 193 29 29 LEU CD2 C 24.390 0.000 1 194 29 29 LEU N N 124.858 0.000 1 195 30 30 ILE H H 8.965 0.007 1 196 30 30 ILE HA H 4.280 0.002 1 197 30 30 ILE HB H 2.040 0.013 1 198 30 30 ILE HG12 H 1.369 0.012 2 199 30 30 ILE HG13 H 1.597 0.012 2 200 30 30 ILE HG2 H 0.972 0.004 1 201 30 30 ILE HD1 H 0.849 0.001 1 202 30 30 ILE C C 177.137 0.000 1 203 30 30 ILE CA C 63.425 0.000 1 204 30 30 ILE CB C 38.230 0.000 1 205 30 30 ILE CG1 C 29.622 0.000 1 206 30 30 ILE CG2 C 16.240 0.000 1 207 30 30 ILE CD1 C 14.365 0.000 1 208 30 30 ILE N N 113.730 0.000 1 209 31 31 ASP H H 8.086 0.006 1 210 31 31 ASP HA H 4.398 0.003 1 211 31 31 ASP HB2 H 2.832 0.012 2 212 31 31 ASP HB3 H 2.503 0.011 2 213 31 31 ASP C C 178.983 0.000 1 214 31 31 ASP CA C 57.632 0.000 1 215 31 31 ASP CB C 40.161 0.000 1 216 31 31 ASP N N 123.420 0.000 1 217 32 32 TYR H H 8.007 0.007 1 218 32 32 TYR HA H 4.141 0.002 1 219 32 32 TYR HB2 H 3.296 0.011 2 220 32 32 TYR HB3 H 3.316 0.012 2 221 32 32 TYR HD1 H 6.798 0.008 1 222 32 32 TYR HD2 H 6.798 0.008 1 223 32 32 TYR HE1 H 6.804 0.009 1 224 32 32 TYR HE2 H 6.804 0.009 1 225 32 32 TYR C C 176.333 0.000 1 226 32 32 TYR CA C 61.150 0.000 1 227 32 32 TYR CB C 36.828 0.000 1 228 32 32 TYR N N 116.041 0.000 1 229 33 33 VAL H H 7.584 0.006 1 230 33 33 VAL HA H 4.027 0.000 1 231 33 33 VAL HB H 2.077 0.003 1 232 33 33 VAL HG1 H 1.135 0.000 2 233 33 33 VAL HG2 H 0.920 0.001 2 234 33 33 VAL C C 175.752 0.000 1 235 33 33 VAL CA C 64.307 0.000 1 236 33 33 VAL CB C 33.005 0.000 1 237 33 33 VAL CG1 C 21.865 0.000 1 238 33 33 VAL CG2 C 22.158 0.000 1 239 33 33 VAL N N 119.618 0.000 1 240 34 34 VAL H H 8.127 0.004 1 241 34 34 VAL HA H 3.197 0.003 1 242 34 34 VAL HB H 1.750 0.012 1 243 34 34 VAL HG1 H 0.215 0.002 2 244 34 34 VAL HG2 H 0.597 0.002 2 245 34 34 VAL C C 177.017 0.000 1 246 34 34 VAL CA C 67.025 0.000 1 247 34 34 VAL CB C 31.977 0.000 1 248 34 34 VAL CG1 C 21.911 0.000 1 249 34 34 VAL CG2 C 23.097 0.000 1 250 34 34 VAL N N 117.527 0.000 1 251 35 35 SER H H 7.718 0.007 1 252 35 35 SER HA H 4.202 0.006 1 253 35 35 SER HB2 H 3.952 0.001 2 254 35 35 SER HB3 H 4.077 0.001 2 255 35 35 SER CA C 64.005 0.000 1 256 35 35 SER CB C 60.590 0.000 1 257 35 35 SER N N 110.295 0.000 1 258 36 36 PRO HA H 4.292 0.016 1 259 36 36 PRO HB2 H 2.051 0.002 2 260 36 36 PRO HB3 H 1.290 0.005 2 261 36 36 PRO HG2 H 2.062 0.013 2 262 36 36 PRO HG3 H 2.058 0.013 2 263 36 36 PRO HD2 H 3.286 0.003 2 264 36 36 PRO HD3 H 3.523 0.005 2 265 36 36 PRO C C 179.530 0.000 1 266 36 36 PRO CA C 65.311 0.000 1 267 36 36 PRO CB C 30.416 0.000 1 268 36 36 PRO CG C 27.900 0.000 1 269 36 36 PRO CD C 49.887 0.000 1 270 37 37 LEU H H 6.761 0.009 1 271 37 37 LEU HA H 3.907 0.006 1 272 37 37 LEU HB2 H 2.016 0.003 2 273 37 37 LEU HB3 H 1.017 0.001 2 274 37 37 LEU HG H 1.408 0.000 1 275 37 37 LEU HD1 H 0.701 0.012 2 276 37 37 LEU HD2 H 0.713 0.001 2 277 37 37 LEU C C 180.863 0.000 1 278 37 37 LEU CA C 57.736 0.000 1 279 37 37 LEU CB C 41.692 0.000 1 280 37 37 LEU CG C 26.190 0.000 1 281 37 37 LEU CD1 C 26.763 0.000 1 282 37 37 LEU CD2 C 24.402 0.000 1 283 37 37 LEU N N 117.720 0.000 1 284 38 38 LEU H H 8.318 0.004 1 285 38 38 LEU HA H 4.020 0.008 1 286 38 38 LEU HB2 H 2.017 0.007 2 287 38 38 LEU HB3 H 1.379 0.002 2 288 38 38 LEU HG H 1.411 0.003 1 289 38 38 LEU HD1 H 0.423 0.001 2 290 38 38 LEU HD2 H 0.692 0.003 2 291 38 38 LEU C C 178.384 0.000 1 292 38 38 LEU CA C 57.149 0.000 1 293 38 38 LEU CB C 42.207 0.000 1 294 38 38 LEU CG C 26.770 0.000 1 295 38 38 LEU CD1 C 25.195 0.000 1 296 38 38 LEU CD2 C 23.007 0.000 1 297 38 38 LEU N N 121.961 0.000 1 298 39 39 LYS H H 6.960 0.006 1 299 39 39 LYS HA H 4.432 0.011 1 300 39 39 LYS HB2 H 2.112 0.011 2 301 39 39 LYS HB3 H 1.690 0.011 2 302 39 39 LYS HG2 H 1.459 0.012 2 303 39 39 LYS HG3 H 1.555 0.011 2 304 39 39 LYS HD2 H 1.656 0.000 2 305 39 39 LYS HD3 H 1.658 0.000 2 306 39 39 LYS HE2 H 2.978 0.000 1 307 39 39 LYS HE3 H 2.978 0.000 1 308 39 39 LYS C C 175.769 0.000 1 309 39 39 LYS CA C 55.708 0.000 1 310 39 39 LYS CB C 32.728 0.000 1 311 39 39 LYS CG C 24.910 0.000 1 312 39 39 LYS N N 115.820 0.000 1 313 40 40 SER H H 7.501 0.010 1 314 40 40 SER HA H 4.702 0.003 1 315 40 40 SER HB2 H 4.061 0.010 2 316 40 40 SER HB3 H 4.254 0.003 2 317 40 40 SER HG H 5.801 0.008 1 318 40 40 SER C C 172.880 0.000 1 319 40 40 SER CA C 58.644 0.000 1 320 40 40 SER CB C 65.644 0.000 1 321 40 40 SER N N 117.398 0.000 1 322 41 41 LYS H H 9.057 0.007 1 323 41 41 LYS HA H 4.421 0.001 1 324 41 41 LYS HB2 H 1.953 0.011 2 325 41 41 LYS HB3 H 1.728 0.001 2 326 41 41 LYS HG2 H 1.520 0.012 2 327 41 41 LYS HG3 H 1.494 0.012 2 328 41 41 LYS HD2 H 1.632 0.010 1 329 41 41 LYS HD3 H 1.632 0.010 1 330 41 41 LYS HE2 H 2.909 0.007 2 331 41 41 LYS HE3 H 2.902 0.010 2 332 41 41 LYS C C 177.393 0.000 1 333 41 41 LYS CA C 56.001 0.000 1 334 41 41 LYS CB C 32.160 0.000 1 335 41 41 LYS CG C 24.741 0.000 1 336 41 41 LYS N N 114.948 0.000 1 337 42 42 VAL H H 7.920 0.002 1 338 42 42 VAL HA H 4.293 0.003 1 339 42 42 VAL HB H 1.915 0.001 1 340 42 42 VAL HG1 H 0.801 0.003 2 341 42 42 VAL HG2 H 0.681 0.003 2 342 42 42 VAL C C 175.290 0.000 1 343 42 42 VAL CA C 62.265 0.000 1 344 42 42 VAL CB C 31.859 0.000 1 345 42 42 VAL CG1 C 21.755 0.000 1 346 42 42 VAL CG2 C 21.172 0.000 1 347 42 42 VAL N N 121.283 0.000 1 348 43 43 ASN H H 8.334 0.006 1 349 43 43 ASN HA H 4.881 0.001 1 350 43 43 ASN HB2 H 2.925 0.003 2 351 43 43 ASN HB3 H 2.953 0.005 2 352 43 43 ASN HD21 H 7.005 0.000 1 353 43 43 ASN HD22 H 7.005 0.000 1 354 43 43 ASN C C 173.906 0.000 1 355 43 43 ASN CA C 54.629 0.000 1 356 43 43 ASN CB C 38.734 0.000 1 357 43 43 ASN N N 122.386 0.000 1 358 44 44 ASN H H 8.420 0.003 1 359 44 44 ASN HA H 4.968 0.003 1 360 44 44 ASN HB2 H 2.206 0.002 2 361 44 44 ASN HB3 H 2.552 0.001 2 362 44 44 ASN HD21 H 6.730 0.007 2 363 44 44 ASN HD22 H 7.585 0.010 2 364 44 44 ASN C C 173.068 0.000 1 365 44 44 ASN CA C 52.541 0.000 1 366 44 44 ASN CB C 40.729 0.000 1 367 44 44 ASN N N 117.830 0.000 1 368 44 44 ASN ND2 N 114.004 0.000 1 369 45 45 ILE H H 8.617 0.006 1 370 45 45 ILE HA H 4.419 0.002 1 371 45 45 ILE HB H 1.587 0.004 1 372 45 45 ILE HG12 H 1.414 0.002 2 373 45 45 ILE HG13 H 0.552 0.012 2 374 45 45 ILE HG2 H 0.571 0.001 1 375 45 45 ILE HD1 H 0.538 0.005 1 376 45 45 ILE C C 173.120 0.000 1 377 45 45 ILE CA C 60.335 0.000 1 378 45 45 ILE CB C 40.300 0.000 1 379 45 45 ILE CG1 C 27.800 0.000 1 380 45 45 ILE CG2 C 17.718 0.003 1 381 45 45 ILE CD1 C 15.064 0.000 1 382 45 45 ILE N N 121.083 0.000 1 383 46 46 PHE H H 9.487 0.010 1 384 46 46 PHE HA H 5.383 0.000 1 385 46 46 PHE HB2 H 3.171 0.014 2 386 46 46 PHE HB3 H 2.469 0.002 2 387 46 46 PHE HD1 H 6.971 0.017 1 388 46 46 PHE HD2 H 6.971 0.017 1 389 46 46 PHE HE1 H 7.044 0.000 1 390 46 46 PHE HE2 H 7.044 0.000 1 391 46 46 PHE C C 175.564 0.000 1 392 46 46 PHE CA C 55.166 0.000 1 393 46 46 PHE CB C 40.822 0.000 1 394 46 46 PHE N N 126.956 0.000 1 395 47 47 ILE H H 9.123 0.008 1 396 47 47 ILE HA H 4.689 0.012 1 397 47 47 ILE HB H 1.647 0.003 1 398 47 47 ILE HG12 H 0.813 0.012 2 399 47 47 ILE HG13 H 1.442 0.013 2 400 47 47 ILE HG2 H 0.637 0.001 1 401 47 47 ILE HD1 H 0.526 0.002 1 402 47 47 ILE C C 174.094 0.000 1 403 47 47 ILE CA C 60.513 0.000 1 404 47 47 ILE CB C 39.388 0.000 1 405 47 47 ILE CG1 C 27.398 0.000 1 406 47 47 ILE CG2 C 17.054 0.000 1 407 47 47 ILE CD1 C 14.163 0.000 1 408 47 47 ILE N N 121.877 0.000 1 409 48 48 ALA H H 8.909 0.002 1 410 48 48 ALA HA H 5.133 0.003 1 411 48 48 ALA HB H 1.358 0.001 1 412 48 48 ALA C C 176.453 0.000 1 413 48 48 ALA CA C 50.586 0.000 1 414 48 48 ALA CB C 19.697 0.000 1 415 48 48 ALA N N 130.572 0.000 1 416 49 49 THR H H 8.479 0.002 1 417 49 49 THR HA H 4.351 0.001 1 418 49 49 THR HB H 4.325 0.003 1 419 49 49 THR HG2 H 0.913 0.003 1 420 49 49 THR C C 172.350 0.000 1 421 49 49 THR CA C 60.038 0.000 1 422 49 49 THR CB C 70.350 0.000 1 423 49 49 THR CG2 C 21.440 0.000 1 424 49 49 THR N N 112.361 0.000 1 425 50 50 SER H H 8.224 0.006 1 426 50 50 SER HA H 5.504 0.001 1 427 50 50 SER HB2 H 4.007 0.005 2 428 50 50 SER HB3 H 3.489 0.003 2 429 50 50 SER CA C 57.173 0.000 1 430 50 50 SER CB C 66.004 0.000 1 431 50 50 SER N N 117.929 0.000 1 432 51 51 PRO HA H 4.448 0.013 1 433 51 51 PRO HB2 H 1.811 0.013 2 434 51 51 PRO HB3 H 2.476 0.013 2 435 51 51 PRO HG2 H 2.091 0.013 2 436 51 51 PRO HG3 H 1.944 0.013 2 437 51 51 PRO HD2 H 4.368 0.012 2 438 51 51 PRO HD3 H 3.381 0.001 2 439 51 51 PRO C C 176.743 0.000 1 440 51 51 PRO CA C 64.248 0.000 1 441 51 51 PRO CB C 31.454 0.000 1 442 51 51 PRO CG C 28.023 0.000 1 443 51 51 PRO CD C 51.647 0.000 1 444 52 52 ASN H H 8.126 0.001 1 445 52 52 ASN HA H 4.715 0.019 1 446 52 52 ASN HB2 H 2.804 0.002 2 447 52 52 ASN HB3 H 2.450 0.014 2 448 52 52 ASN C C 175.598 0.000 1 449 52 52 ASN CA C 53.674 0.000 1 450 52 52 ASN CB C 39.388 0.000 1 451 52 52 ASN N N 111.328 0.000 1 452 53 53 THR H H 8.015 0.003 1 453 53 53 THR HA H 4.785 0.002 1 454 53 53 THR HB H 4.716 0.009 1 455 53 53 THR HG2 H 0.996 0.004 1 456 53 53 THR CA C 58.435 0.000 1 457 53 53 THR CB C 69.350 0.000 1 458 53 53 THR CG2 C 21.606 0.000 1 459 53 53 THR N N 111.069 0.000 1 460 54 54 PRO HA H 4.504 0.002 1 461 54 54 PRO HB2 H 2.151 0.013 2 462 54 54 PRO HB3 H 1.997 0.001 2 463 54 54 PRO HG2 H 1.946 0.013 1 464 54 54 PRO HG3 H 1.947 0.013 1 465 54 54 PRO HD2 H 3.612 0.014 2 466 54 54 PRO HD3 H 3.385 0.013 2 467 54 54 PRO C C 181.119 0.000 1 468 54 54 PRO CA C 65.108 0.000 1 469 54 54 PRO CB C 31.351 0.000 1 470 54 54 PRO CG C 27.728 0.000 1 471 54 54 PRO CD C 50.345 0.000 1 472 55 55 LYS H H 10.670 0.000 1 473 55 55 LYS HA H 4.165 0.001 1 474 55 55 LYS HB2 H 1.821 0.011 2 475 55 55 LYS HB3 H 1.606 0.010 2 476 55 55 LYS HG2 H 1.396 0.013 2 477 55 55 LYS HG3 H 1.386 0.013 2 478 55 55 LYS HD2 H 1.626 0.013 1 479 55 55 LYS HD3 H 1.626 0.013 1 480 55 55 LYS HE2 H 2.943 0.013 1 481 55 55 LYS HE3 H 2.943 0.013 1 482 55 55 LYS C C 180.829 0.000 1 483 55 55 LYS CA C 58.635 0.000 1 484 55 55 LYS CB C 30.000 0.000 1 485 55 55 LYS N N 123.727 0.000 1 486 56 56 THR H H 9.850 0.004 1 487 56 56 THR HA H 3.891 0.003 1 488 56 56 THR HB H 4.481 0.002 1 489 56 56 THR HG1 H 6.204 0.005 1 490 56 56 THR HG2 H 1.076 0.002 1 491 56 56 THR C C 175.957 0.000 1 492 56 56 THR CA C 68.413 0.000 1 493 56 56 THR CB C 67.546 0.000 1 494 56 56 THR CG2 C 20.264 0.000 1 495 56 56 THR N N 125.333 0.000 1 496 57 57 LYS H H 7.489 0.002 1 497 57 57 LYS HA H 3.710 0.005 1 498 57 57 LYS HB2 H 2.007 0.016 2 499 57 57 LYS HB3 H 1.999 0.002 2 500 57 57 LYS HG2 H 1.244 0.002 2 501 57 57 LYS HG3 H 1.236 0.002 2 502 57 57 LYS HD2 H 1.429 0.012 2 503 57 57 LYS HD3 H 1.627 0.012 2 504 57 57 LYS HE2 H 2.848 0.015 2 505 57 57 LYS HE3 H 2.804 0.001 2 506 57 57 LYS C C 177.154 0.000 1 507 57 57 LYS CA C 60.784 0.000 1 508 57 57 LYS CB C 31.427 0.000 1 509 57 57 LYS CG C 25.212 0.000 1 510 57 57 LYS N N 121.681 0.000 1 511 58 58 GLU H H 7.508 0.005 1 512 58 58 GLU HA H 3.992 0.007 1 513 58 58 GLU HB2 H 2.130 0.004 1 514 58 58 GLU HB3 H 2.130 0.002 1 515 58 58 GLU HG2 H 2.419 0.000 2 516 58 58 GLU HG3 H 2.230 0.000 2 517 58 58 GLU C C 178.931 0.000 1 518 58 58 GLU CA C 59.122 0.000 1 519 58 58 GLU CB C 29.750 0.000 1 520 58 58 GLU CG C 36.186 0.000 1 521 58 58 GLU N N 116.752 0.000 1 522 59 59 TYR H H 8.565 0.002 1 523 59 59 TYR HA H 4.283 0.004 1 524 59 59 TYR HB2 H 3.148 0.003 2 525 59 59 TYR HB3 H 3.235 0.006 2 526 59 59 TYR HD1 H 6.946 0.016 1 527 59 59 TYR HD2 H 6.946 0.016 1 528 59 59 TYR HE1 H 6.766 0.005 1 529 59 59 TYR HE2 H 6.766 0.005 1 530 59 59 TYR C C 177.359 0.000 1 531 59 59 TYR CA C 61.114 0.000 1 532 59 59 TYR CB C 38.810 0.000 1 533 59 59 TYR N N 120.756 0.000 1 534 60 60 ILE H H 8.588 0.006 1 535 60 60 ILE HA H 3.516 0.006 1 536 60 60 ILE HB H 1.965 0.001 1 537 60 60 ILE HG12 H 1.454 0.013 2 538 60 60 ILE HG13 H 1.742 0.000 2 539 60 60 ILE HG2 H 0.720 0.002 1 540 60 60 ILE HD1 H 0.707 0.001 1 541 60 60 ILE C C 178.213 0.000 1 542 60 60 ILE CA C 63.139 0.000 1 543 60 60 ILE CB C 35.996 0.000 1 544 60 60 ILE CG1 C 27.050 0.000 1 545 60 60 ILE CG2 C 18.014 0.000 1 546 60 60 ILE CD1 C 11.601 0.000 1 547 60 60 ILE N N 119.251 0.000 1 548 61 61 ASN H H 7.901 0.004 1 549 61 61 ASN HA H 4.425 0.002 1 550 61 61 ASN HB2 H 2.788 0.016 2 551 61 61 ASN HB3 H 2.731 0.011 2 552 61 61 ASN HD21 H 7.340 0.011 2 553 61 61 ASN HD22 H 6.516 0.011 2 554 61 61 ASN C C 175.718 0.000 1 555 61 61 ASN CA C 54.931 0.000 1 556 61 61 ASN CB C 38.275 0.015 1 557 61 61 ASN N N 115.246 0.000 1 558 61 61 ASN ND2 N 108.538 0.000 1 559 62 62 SER H H 7.519 0.004 1 560 62 62 SER HA H 4.418 0.004 1 561 62 62 SER HB2 H 3.850 0.011 2 562 62 62 SER HB3 H 3.848 0.001 2 563 62 62 SER C C 175.803 0.000 1 564 62 62 SER CA C 59.613 0.000 1 565 62 62 SER CB C 63.530 0.000 1 566 62 62 SER N N 112.103 0.000 1 567 63 63 ALA H H 8.785 0.006 1 568 63 63 ALA HA H 3.896 0.002 1 569 63 63 ALA HB H 0.507 0.001 1 570 63 63 ALA C C 179.444 0.000 1 571 63 63 ALA CA C 54.030 0.000 1 572 63 63 ALA CB C 18.255 0.000 1 573 63 63 ALA N N 123.469 0.000 1 574 64 64 TYR H H 7.741 0.004 1 575 64 64 TYR HA H 4.832 0.003 1 576 64 64 TYR HB2 H 3.386 0.004 2 577 64 64 TYR HB3 H 2.794 0.004 2 578 64 64 TYR HD1 H 6.645 0.000 1 579 64 64 TYR HD2 H 6.645 0.000 1 580 64 64 TYR HE1 H 6.470 0.000 1 581 64 64 TYR HE2 H 6.470 0.000 1 582 64 64 TYR C C 176.025 0.000 1 583 64 64 TYR CA C 57.011 0.000 1 584 64 64 TYR CB C 36.310 0.000 1 585 64 64 TYR N N 113.136 0.000 1 586 65 65 LYS H H 6.710 0.004 1 587 65 65 LYS HA H 4.075 0.003 1 588 65 65 LYS HB2 H 1.892 0.001 2 589 65 65 LYS HB3 H 1.988 0.002 2 590 65 65 LYS HG2 H 1.323 0.018 2 591 65 65 LYS HG3 H 1.378 0.016 2 592 65 65 LYS HD2 H 1.699 0.003 1 593 65 65 LYS HD3 H 1.698 0.013 1 594 65 65 LYS HE2 H 3.013 0.001 2 595 65 65 LYS HE3 H 2.995 0.011 2 596 65 65 LYS C C 176.692 0.000 1 597 65 65 LYS CA C 58.575 0.000 1 598 65 65 LYS CB C 31.809 0.000 1 599 65 65 LYS CG C 23.120 0.000 1 600 65 65 LYS CD C 28.780 0.000 1 601 65 65 LYS CE C 41.946 0.000 1 602 65 65 LYS N N 119.743 0.000 1 603 66 66 ASP H H 8.464 0.014 1 604 66 66 ASP HA H 4.518 0.011 1 605 66 66 ASP HB2 H 2.563 0.012 2 606 66 66 ASP HB3 H 2.160 0.012 2 607 66 66 ASP C C 175.513 0.000 1 608 66 66 ASP CA C 54.885 0.000 1 609 66 66 ASP CB C 40.148 0.000 1 610 66 66 ASP N N 116.236 0.000 1 611 67 67 TYR H H 7.772 0.002 1 612 67 67 TYR HA H 4.556 0.013 1 613 67 67 TYR HB2 H 3.209 0.011 2 614 67 67 TYR HB3 H 2.990 0.009 2 615 67 67 TYR HD1 H 7.171 0.017 1 616 67 67 TYR HD2 H 7.171 0.017 1 617 67 67 TYR CA C 57.157 0.000 1 618 67 67 TYR CB C 37.435 0.000 1 619 67 67 TYR N N 120.165 0.000 1 620 68 68 LYS H H 8.189 0.014 1 621 68 68 LYS HA H 4.215 0.012 1 622 68 68 LYS HB2 H 1.896 0.012 2 623 68 68 LYS HB3 H 1.788 0.012 2 624 68 68 LYS HG2 H 1.505 0.012 2 625 68 68 LYS HG3 H 1.455 0.012 2 626 68 68 LYS HD2 H 1.635 0.010 2 627 68 68 LYS HD3 H 1.405 0.001 2 628 68 68 LYS HE2 H 3.015 0.010 2 629 68 68 LYS HE3 H 3.001 0.010 2 630 68 68 LYS C C 175.991 0.000 1 631 68 68 LYS CA C 57.142 0.000 1 632 68 68 LYS CB C 31.845 0.000 1 633 68 68 LYS CG C 24.560 0.000 1 634 69 69 ASN H H 8.694 0.016 1 635 69 69 ASN HA H 4.570 0.012 1 636 69 69 ASN HB2 H 3.350 0.004 2 637 69 69 ASN HB3 H 2.572 0.002 2 638 69 69 ASN HD21 H 7.536 0.004 2 639 69 69 ASN HD22 H 6.000 0.005 2 640 69 69 ASN C C 172.539 0.000 1 641 69 69 ASN CA C 52.516 0.000 1 642 69 69 ASN CB C 36.781 0.000 1 643 69 69 ASN N N 113.782 0.000 1 644 69 69 ASN ND2 N 111.271 0.000 1 645 70 70 ILE H H 7.065 0.004 1 646 70 70 ILE HA H 4.926 0.003 1 647 70 70 ILE HB H 1.705 0.014 1 648 70 70 ILE HG12 H 1.395 0.015 2 649 70 70 ILE HG13 H 0.675 0.017 2 650 70 70 ILE HG2 H 0.444 0.001 1 651 70 70 ILE HD1 H 0.374 0.008 1 652 70 70 ILE C C 174.778 0.000 1 653 70 70 ILE CA C 60.076 0.000 1 654 70 70 ILE CB C 38.398 0.000 1 655 70 70 ILE CG1 C 27.486 0.000 1 656 70 70 ILE CG2 C 16.299 0.000 1 657 70 70 ILE CD1 C 13.946 0.000 1 658 70 70 ILE N N 119.594 0.000 1 659 71 71 VAL H H 8.254 0.008 1 660 71 71 VAL HA H 4.129 0.015 1 661 71 71 VAL HB H 1.323 0.013 1 662 71 71 VAL HG1 H 0.712 0.000 2 663 71 71 VAL HG2 H 0.431 0.005 2 664 71 71 VAL C C 174.333 0.000 1 665 71 71 VAL CA C 60.411 0.000 1 666 71 71 VAL CB C 35.334 0.000 1 667 71 71 VAL CG1 C 20.809 0.000 1 668 71 71 VAL CG2 C 20.177 0.000 1 669 71 71 VAL N N 128.247 0.000 1 670 72 72 VAL H H 8.400 0.005 1 671 72 72 VAL HA H 4.757 0.004 1 672 72 72 VAL HB H 1.907 0.012 1 673 72 72 VAL HG1 H 0.854 0.010 2 674 72 72 VAL HG2 H 0.847 0.005 2 675 72 72 VAL C C 175.906 0.000 1 676 72 72 VAL CA C 61.504 0.000 1 677 72 72 VAL CB C 32.003 0.000 1 678 72 72 VAL CG1 C 22.441 0.000 1 679 72 72 VAL CG2 C 22.201 0.000 1 680 72 72 VAL N N 126.351 0.000 1 681 73 73 ILE H H 8.918 0.002 1 682 73 73 ILE HA H 4.300 0.016 1 683 73 73 ILE HB H 1.487 0.002 1 684 73 73 ILE HG12 H 0.373 0.001 2 685 73 73 ILE HG13 H 1.228 0.005 2 686 73 73 ILE HG2 H 0.503 0.001 1 687 73 73 ILE HD1 H 0.270 0.002 1 688 73 73 ILE C C 173.974 0.000 1 689 73 73 ILE CA C 59.410 0.000 1 690 73 73 ILE CB C 41.035 0.000 1 691 73 73 ILE CG1 C 25.875 0.000 1 692 73 73 ILE CG2 C 17.981 0.000 1 693 73 73 ILE CD1 C 14.103 0.000 1 694 73 73 ILE N N 125.755 0.000 1 695 74 74 ASP H H 8.118 0.003 1 696 74 74 ASP HA H 4.940 0.011 1 697 74 74 ASP HB2 H 2.580 0.012 2 698 74 74 ASP HB3 H 2.430 0.012 2 699 74 74 ASP C C 175.718 0.000 1 700 74 74 ASP CA C 53.782 0.000 1 701 74 74 ASP CB C 42.226 0.000 1 702 74 74 ASP N N 122.997 0.000 1 703 75 75 THR H H 8.584 0.003 1 704 75 75 THR HA H 4.825 0.004 1 705 75 75 THR HB H 4.425 0.000 1 706 75 75 THR HG2 H 0.977 0.005 1 707 75 75 THR C C 175.923 0.000 1 708 75 75 THR CA C 59.764 0.000 1 709 75 75 THR CB C 71.822 0.000 1 710 75 75 THR CG2 C 23.574 0.000 1 711 75 75 THR N N 114.040 0.000 1 712 76 76 SER H H 10.293 0.007 1 713 76 76 SER HA H 4.285 0.001 1 714 76 76 SER HB2 H 4.154 0.011 2 715 76 76 SER HB3 H 3.889 0.010 2 716 76 76 SER C C 176.196 0.000 1 717 76 76 SER CA C 60.943 0.000 1 718 76 76 SER CB C 62.652 0.000 1 719 76 76 SER N N 115.619 0.000 1 720 77 77 GLY H H 8.437 0.003 1 721 77 77 GLY HA2 H 3.748 0.000 2 722 77 77 GLY HA3 H 4.125 0.010 2 723 77 77 GLY C C 175.444 0.000 1 724 77 77 GLY CA C 47.014 0.000 1 725 77 77 GLY N N 111.069 0.000 1 726 78 78 LYS H H 8.821 0.000 1 727 78 78 LYS HA H 4.084 0.012 1 728 78 78 LYS HB2 H 1.810 0.014 2 729 78 78 LYS HB3 H 1.639 0.012 2 730 78 78 LYS HG2 H 1.325 0.013 1 731 78 78 LYS HG3 H 1.326 0.012 1 732 78 78 LYS HD2 H 1.480 0.000 2 733 78 78 LYS HD3 H 1.630 0.011 2 734 78 78 LYS HE2 H 2.918 0.013 2 735 78 78 LYS HE3 H 2.906 0.013 2 736 78 78 LYS C C 176.607 0.000 1 737 78 78 LYS CA C 57.171 0.000 1 738 78 78 LYS CB C 32.535 0.000 1 739 78 78 LYS CG C 25.134 0.000 1 740 78 78 LYS CE C 42.119 0.000 1 741 78 78 LYS N N 120.110 0.000 1 742 79 79 GLY H H 7.314 0.009 1 743 79 79 GLY HA2 H 3.753 0.001 2 744 79 79 GLY HA3 H 4.459 0.011 2 745 79 79 GLY CA C 44.618 0.000 1 746 79 79 GLY N N 105.830 0.000 1 747 80 80 TYR H H 8.804 0.004 1 748 80 80 TYR HA H 4.088 0.000 1 749 80 80 TYR HB2 H 2.937 0.012 2 750 80 80 TYR HB3 H 3.090 0.003 2 751 80 80 TYR HD1 H 7.001 0.014 1 752 80 80 TYR HD2 H 7.001 0.014 1 753 80 80 TYR HE1 H 6.645 0.000 1 754 80 80 TYR HE2 H 6.645 0.000 1 755 80 80 TYR C C 176.162 0.000 1 756 80 80 TYR CA C 62.555 0.000 1 757 80 80 TYR CB C 38.501 0.000 1 758 81 81 ILE H H 8.205 0.005 1 759 81 81 ILE HA H 3.616 0.005 1 760 81 81 ILE HB H 1.854 0.000 1 761 81 81 ILE HG12 H 1.417 0.012 2 762 81 81 ILE HG13 H 1.605 0.013 2 763 81 81 ILE HG2 H 0.862 0.012 1 764 81 81 ILE HD1 H 0.881 0.001 1 765 81 81 ILE C C 178.025 0.000 1 766 81 81 ILE CA C 62.719 0.000 1 767 81 81 ILE CB C 36.908 0.000 1 768 81 81 ILE CG1 C 28.403 0.000 1 769 81 81 ILE CG2 C 17.500 0.000 1 770 81 81 ILE CD1 C 11.739 0.000 1 771 81 81 ILE N N 117.442 0.000 1 772 82 82 GLU H H 8.804 0.004 1 773 82 82 GLU HA H 3.909 0.011 1 774 82 82 GLU HB2 H 1.990 0.012 2 775 82 82 GLU HB3 H 1.798 0.012 2 776 82 82 GLU HG2 H 2.327 0.012 2 777 82 82 GLU HG3 H 2.160 0.001 2 778 82 82 GLU C C 179.205 0.000 1 779 82 82 GLU CA C 60.528 0.000 1 780 82 82 GLU CB C 28.496 0.000 1 781 82 82 GLU CG C 36.994 0.014 1 782 82 82 GLU N N 121.402 0.000 1 783 83 83 ASP H H 8.672 0.004 1 784 83 83 ASP HA H 4.425 0.000 1 785 83 83 ASP HB2 H 2.789 0.011 2 786 83 83 ASP HB3 H 2.205 0.002 2 787 83 83 ASP C C 178.812 0.000 1 788 83 83 ASP CA C 57.025 0.000 1 789 83 83 ASP CB C 39.565 0.000 1 790 83 83 ASP N N 120.627 0.000 1 791 84 84 LEU H H 8.355 0.008 1 792 84 84 LEU HA H 3.726 0.002 1 793 84 84 LEU HB2 H 1.783 0.003 2 794 84 84 LEU HB3 H 1.221 0.013 2 795 84 84 LEU HG H 1.451 0.013 1 796 84 84 LEU HD1 H 0.769 0.000 2 797 84 84 LEU HD2 H 0.762 0.001 2 798 84 84 LEU C C 179.547 0.000 1 799 84 84 LEU CA C 58.644 0.000 1 800 84 84 LEU CB C 41.418 0.000 1 801 84 84 LEU CG C 26.945 0.000 1 802 84 84 LEU CD1 C 25.393 0.000 1 803 84 84 LEU CD2 C 24.020 0.000 1 804 84 84 LEU N N 122.103 0.000 1 805 85 85 ASN H H 8.225 0.005 1 806 85 85 ASN HA H 4.441 0.016 1 807 85 85 ASN HB2 H 3.021 0.004 2 808 85 85 ASN HB3 H 2.782 0.004 2 809 85 85 ASN HD21 H 7.461 0.012 2 810 85 85 ASN HD22 H 6.761 0.012 2 811 85 85 ASN C C 178.111 0.000 1 812 85 85 ASN CA C 55.933 0.000 1 813 85 85 ASN CB C 38.236 0.013 1 814 85 85 ASN N N 116.365 0.000 1 815 85 85 ASN ND2 N 110.525 0.000 1 816 86 86 GLU H H 7.788 0.003 1 817 86 86 GLU HA H 4.211 0.001 1 818 86 86 GLU HB2 H 2.281 0.001 2 819 86 86 GLU HB3 H 2.495 0.001 2 820 86 86 GLU HG2 H 2.320 0.013 2 821 86 86 GLU HG3 H 2.715 0.001 2 822 86 86 GLU C C 178.179 0.000 1 823 86 86 GLU CA C 58.403 0.000 1 824 86 86 GLU CB C 30.150 0.000 1 825 86 86 GLU CG C 36.934 0.000 1 826 86 86 GLU N N 118.561 0.000 1 827 87 87 CYS H H 7.906 0.003 1 828 87 87 CYS HA H 4.534 0.001 1 829 87 87 CYS HB2 H 2.618 0.001 2 830 87 87 CYS HB3 H 3.006 0.004 2 831 87 87 CYS HG H 3.234 0.005 1 832 87 87 CYS C C 175.991 0.000 1 833 87 87 CYS CA C 60.840 0.000 1 834 87 87 CYS CB C 29.156 0.000 1 835 87 87 CYS N N 115.977 0.000 1 836 88 88 ILE H H 7.439 0.011 1 837 88 88 ILE HA H 3.651 0.000 1 838 88 88 ILE HB H 1.711 0.000 1 839 88 88 ILE HG12 H 1.553 0.013 2 840 88 88 ILE HG13 H 1.261 0.012 2 841 88 88 ILE HG2 H 0.780 0.013 1 842 88 88 ILE HD1 H 0.550 0.000 1 843 88 88 ILE C C 176.248 0.000 1 844 88 88 ILE CA C 65.618 0.000 1 845 88 88 ILE CB C 38.409 0.000 1 846 88 88 ILE CG1 C 28.393 0.000 1 847 88 88 ILE CG2 C 17.260 0.000 1 848 88 88 ILE CD1 C 12.722 0.000 1 849 88 88 ILE N N 117.140 0.000 1 850 89 89 GLY H H 8.076 0.001 1 851 89 89 GLY HA2 H 3.896 0.009 2 852 89 89 GLY HA3 H 3.486 0.002 2 853 89 89 GLY C C 174.761 0.000 1 854 89 89 GLY CA C 45.438 0.000 1 855 89 89 GLY N N 103.966 0.000 1 856 90 90 TYR H H 7.435 0.001 1 857 90 90 TYR HA H 3.754 0.012 1 858 90 90 TYR HB2 H 1.743 0.002 2 859 90 90 TYR HB3 H 1.679 0.008 2 860 90 90 TYR HD1 H 6.992 0.017 1 861 90 90 TYR HD2 H 6.992 0.017 1 862 90 90 TYR C C 173.615 0.000 1 863 90 90 TYR CA C 58.747 0.000 1 864 90 90 TYR CB C 36.461 0.000 1 865 90 90 TYR N N 117.134 0.000 1 866 91 91 PHE H H 7.426 0.002 1 867 91 91 PHE HA H 4.509 0.003 1 868 91 91 PHE HB2 H 2.309 0.001 2 869 91 91 PHE HB3 H 3.170 0.005 2 870 91 91 PHE HD1 H 6.590 0.006 1 871 91 91 PHE HD2 H 6.590 0.006 1 872 91 91 PHE CA C 56.909 0.000 1 873 91 91 PHE CB C 42.589 0.000 1 874 91 91 PHE N N 117.317 0.000 1 875 92 92 SER H H 8.646 0.004 1 876 92 92 SER HA H 4.602 0.000 1 877 92 92 SER HB2 H 4.016 0.000 2 878 92 92 SER HB3 H 3.846 0.000 2 879 92 92 SER C C 173.410 0.000 1 880 93 93 GLU H H 8.049 0.003 1 881 93 93 GLU HA H 4.887 0.003 1 882 93 93 GLU HB2 H 2.065 0.012 2 883 93 93 GLU HB3 H 2.398 0.012 2 884 93 93 GLU HG2 H 2.399 0.012 2 885 93 93 GLU HG3 H 2.371 0.012 2 886 93 93 GLU CA C 53.750 0.000 1 887 93 93 GLU CB C 31.179 0.000 1 888 93 93 GLU CG C 35.771 0.000 1 889 93 93 GLU N N 121.680 0.000 1 890 94 94 PRO HA H 4.845 0.000 1 891 94 94 PRO HB2 H 1.643 0.014 2 892 94 94 PRO HB3 H 1.326 0.012 2 893 94 94 PRO HG2 H 2.197 0.014 2 894 94 94 PRO HG3 H 2.280 0.013 2 895 94 94 PRO HD2 H 3.990 0.018 2 896 94 94 PRO HD3 H 3.861 0.000 2 897 94 94 PRO C C 174.504 0.000 1 898 94 94 PRO CA C 64.039 0.000 1 899 94 94 PRO CB C 31.436 0.000 1 900 94 94 PRO CG C 28.163 0.000 1 901 94 94 PRO CD C 50.280 0.000 1 902 95 95 PHE H H 8.671 0.001 1 903 95 95 PHE HA H 5.059 0.001 1 904 95 95 PHE HB2 H 2.173 0.001 2 905 95 95 PHE HB3 H 2.751 0.011 2 906 95 95 PHE HD1 H 6.574 0.009 1 907 95 95 PHE HD2 H 6.574 0.009 1 908 95 95 PHE HE1 H 6.325 0.016 1 909 95 95 PHE HE2 H 6.325 0.016 1 910 95 95 PHE HZ H 6.614 0.000 1 911 95 95 PHE C C 171.752 0.000 1 912 95 95 PHE CA C 54.374 0.000 1 913 95 95 PHE CB C 42.574 0.000 1 914 95 95 PHE N N 121.556 0.000 1 915 96 96 LEU H H 8.198 0.005 1 916 96 96 LEU HA H 4.588 0.002 1 917 96 96 LEU HB2 H 1.576 0.002 2 918 96 96 LEU HB3 H 1.453 0.001 2 919 96 96 LEU HG H 1.455 0.013 1 920 96 96 LEU HD1 H 0.612 0.005 2 921 96 96 LEU HD2 H 0.610 0.001 2 922 96 96 LEU C C 174.932 0.000 1 923 96 96 LEU CA C 53.868 0.000 1 924 96 96 LEU CB C 44.598 0.000 1 925 96 96 LEU CG C 26.770 0.000 1 926 96 96 LEU CD1 C 25.581 0.000 1 927 96 96 LEU CD2 C 26.628 0.000 1 928 96 96 LEU N N 121.432 0.000 1 929 97 97 VAL H H 9.421 0.003 1 930 97 97 VAL HA H 5.086 0.003 1 931 97 97 VAL HB H 1.841 0.011 1 932 97 97 VAL HG1 H 0.940 0.006 2 933 97 97 VAL HG2 H 0.749 0.005 2 934 97 97 VAL C C 175.820 0.000 1 935 97 97 VAL CA C 61.380 0.000 1 936 97 97 VAL CB C 33.388 0.000 1 937 97 97 VAL CG1 C 22.064 0.000 1 938 97 97 VAL CG2 C 23.437 0.000 1 939 97 97 VAL N N 126.078 0.000 1 940 98 98 VAL H H 9.114 0.006 1 941 98 98 VAL HA H 4.919 0.002 1 942 98 98 VAL HB H 1.984 0.002 1 943 98 98 VAL HG1 H 0.950 0.003 2 944 98 98 VAL HG2 H 0.797 0.004 2 945 98 98 VAL C C 174.744 0.000 1 946 98 98 VAL CA C 59.293 0.000 1 947 98 98 VAL CB C 35.492 0.000 1 948 98 98 VAL CG1 C 22.030 0.000 1 949 98 98 VAL CG2 C 21.035 0.000 1 950 98 98 VAL N N 123.693 0.000 1 951 99 99 SER H H 7.687 0.010 1 952 99 99 SER HA H 4.687 0.009 1 953 99 99 SER HB2 H 4.005 0.000 2 954 99 99 SER HB3 H 4.017 0.012 2 955 99 99 SER C C 173.137 0.000 1 956 99 99 SER CA C 58.438 0.000 1 957 99 99 SER CB C 63.916 0.000 1 958 99 99 SER N N 118.500 0.000 1 959 100 100 SER H H 7.671 0.007 1 960 100 100 SER HA H 4.049 0.006 1 961 100 100 SER HB2 H 3.570 0.005 2 962 100 100 SER HB3 H 3.579 0.001 2 963 100 100 SER C C 172.162 0.000 1 964 100 100 SER CA C 58.854 0.000 1 965 100 100 SER CB C 64.005 0.000 1 966 100 100 SER N N 111.974 0.000 1 967 101 101 ASP H H 7.666 0.009 1 968 101 101 ASP HA H 4.604 0.001 1 969 101 101 ASP HB2 H 2.893 0.003 2 970 101 101 ASP HB3 H 2.422 0.000 2 971 101 101 ASP C C 174.641 0.000 1 972 101 101 ASP CA C 51.985 0.000 1 973 101 101 ASP CB C 40.731 0.000 1 974 101 101 ASP N N 115.977 0.000 1 975 102 102 LEU H H 6.296 0.004 1 976 102 102 LEU HA H 4.529 0.011 1 977 102 102 LEU HB2 H 1.202 0.009 2 978 102 102 LEU HB3 H 1.488 0.017 2 979 102 102 LEU HG H 1.410 0.006 1 980 102 102 LEU HD1 H 0.895 0.012 2 981 102 102 LEU HD2 H 0.809 0.008 2 982 102 102 LEU CA C 54.199 0.000 1 983 102 102 LEU CB C 44.314 0.000 1 984 102 102 LEU CG C 26.770 0.000 1 985 102 102 LEU CD1 C 24.672 0.000 1 986 102 102 LEU CD2 C 24.191 0.000 1 987 102 102 LEU N N 117.011 0.000 1 988 103 103 ILE H H 8.495 0.000 1 989 103 103 ILE HA H 4.290 0.000 1 990 103 103 ILE HB H 1.672 0.000 1 991 103 103 ILE HG12 H 0.858 0.000 2 992 103 103 ILE HG13 H 1.148 0.000 2 993 103 103 ILE HG2 H 0.412 0.000 1 994 103 103 ILE HD1 H 0.341 0.000 1 995 103 103 ILE CG1 C 27.650 0.000 1 996 103 103 ILE CG2 C 18.135 0.000 1 997 103 103 ILE CD1 C 10.984 0.000 1 998 104 104 ASN H H 8.043 0.000 1 999 104 104 ASN HA H 4.712 0.013 1 1000 104 104 ASN HB2 H 2.822 0.012 1 1001 104 104 ASN HB3 H 2.822 0.012 1 1002 104 104 ASN HD21 H 7.296 0.000 2 1003 104 104 ASN HD22 H 7.226 0.000 2 1004 104 104 ASN CA C 53.430 0.000 1 1005 104 104 ASN CB C 38.660 0.000 1 1006 105 105 LEU H H 8.469 0.000 1 1007 105 105 LEU HA H 5.089 0.000 1 1008 105 105 LEU HB2 H 1.843 0.000 2 1009 105 105 LEU HB3 H 1.214 0.000 2 1010 105 105 LEU HG H 1.617 0.000 1 1011 105 105 LEU HD1 H 0.775 0.000 2 1012 105 105 LEU HD2 H 0.768 0.000 2 1013 105 105 LEU CA C 53.310 0.000 1 1014 105 105 LEU CB C 46.215 0.000 1 1015 105 105 LEU CG C 26.770 0.000 1 1016 105 105 LEU CD1 C 24.775 0.000 1 1017 105 105 LEU CD2 C 23.231 0.000 1 1018 106 106 LYS H H 9.287 0.000 1 1019 106 106 LYS HA H 4.286 0.011 1 1020 106 106 LYS HB2 H 1.796 0.011 2 1021 106 106 LYS HB3 H 1.786 0.011 2 1022 106 106 LYS HG2 H 1.406 0.000 2 1023 106 106 LYS HG3 H 1.396 0.000 2 1024 106 106 LYS HD2 H 1.636 0.000 1 1025 106 106 LYS HD3 H 1.636 0.000 1 1026 106 106 LYS HE2 H 2.956 0.000 1 1027 106 106 LYS HE3 H 2.956 0.000 1 1028 106 106 LYS C C 175.461 0.000 1 1029 106 106 LYS CA C 56.840 0.000 1 1030 106 106 LYS CB C 32.830 0.000 1 1031 107 107 SER H H 8.600 0.001 1 1032 107 107 SER HA H 3.986 0.015 1 1033 107 107 SER HB2 H 3.893 0.013 1 1034 107 107 SER HB3 H 3.894 0.002 1 1035 107 107 SER C C 175.256 0.000 1 1036 107 107 SER CA C 58.570 0.000 1 1037 107 107 SER N N 118.638 0.000 1 1038 108 108 LYS H H 6.275 0.009 1 1039 108 108 LYS HA H 3.960 0.005 1 1040 108 108 LYS HB2 H 1.946 0.008 2 1041 108 108 LYS HB3 H 1.743 0.012 2 1042 108 108 LYS HG2 H 1.424 0.013 2 1043 108 108 LYS HG3 H 1.415 0.013 2 1044 108 108 LYS HD2 H 1.662 0.013 2 1045 108 108 LYS HD3 H 1.675 0.013 2 1046 108 108 LYS HE2 H 2.914 0.000 2 1047 108 108 LYS HE3 H 2.917 0.000 2 1048 108 108 LYS C C 178.692 0.000 1 1049 108 108 LYS CA C 59.433 0.000 1 1050 108 108 LYS CB C 31.959 0.000 1 1051 108 108 LYS N N 118.990 0.000 1 1052 109 109 ILE H H 6.857 0.019 1 1053 109 109 ILE HA H 3.862 0.012 1 1054 109 109 ILE HB H 1.955 0.012 1 1055 109 109 ILE HG12 H 1.564 0.012 2 1056 109 109 ILE HG13 H 1.200 0.013 2 1057 109 109 ILE HG2 H 0.831 0.013 1 1058 109 109 ILE HD1 H 0.854 0.000 1 1059 109 109 ILE C C 177.889 0.000 1 1060 109 109 ILE CA C 62.903 0.000 1 1061 109 109 ILE CB C 37.931 0.000 1 1062 109 109 ILE CG1 C 28.321 0.000 1 1063 109 109 ILE CG2 C 16.866 0.000 1 1064 109 109 ILE CD1 C 12.807 0.000 1 1065 109 109 ILE N N 118.431 0.000 1 1066 110 110 ILE H H 7.420 0.010 1 1067 110 110 ILE HA H 3.385 0.014 1 1068 110 110 ILE HB H 1.993 0.013 1 1069 110 110 ILE HG12 H 0.905 0.013 2 1070 110 110 ILE HG13 H 1.470 0.012 2 1071 110 110 ILE HG2 H 0.849 0.001 1 1072 110 110 ILE HD1 H 0.636 0.004 1 1073 110 110 ILE C C 177.000 0.000 1 1074 110 110 ILE CA C 64.875 0.000 1 1075 110 110 ILE CB C 37.204 0.000 1 1076 110 110 ILE CG1 C 28.271 0.000 1 1077 110 110 ILE CG2 C 17.603 0.000 1 1078 110 110 ILE CD1 C 12.799 0.000 1 1079 110 110 ILE N N 119.852 0.000 1 1080 111 111 ASN H H 8.428 0.007 1 1081 111 111 ASN HA H 4.191 0.009 1 1082 111 111 ASN HB2 H 2.915 0.010 2 1083 111 111 ASN HB3 H 2.870 0.010 2 1084 111 111 ASN HD21 H 7.412 0.005 2 1085 111 111 ASN HD22 H 7.161 0.005 2 1086 111 111 ASN C C 176.658 0.000 1 1087 111 111 ASN CA C 55.677 0.000 1 1088 111 111 ASN CB C 36.734 0.000 1 1089 111 111 ASN N N 117.216 0.000 1 1090 111 111 ASN ND2 N 107.296 0.000 1 1091 112 112 SER H H 7.696 0.007 1 1092 112 112 SER HA H 4.319 0.003 1 1093 112 112 SER HB2 H 4.065 0.014 2 1094 112 112 SER HB3 H 3.987 0.015 2 1095 112 112 SER C C 176.470 0.000 1 1096 112 112 SER CA C 61.571 0.000 1 1097 112 112 SER CB C 62.604 0.000 1 1098 112 112 SER N N 114.401 0.000 1 1099 113 113 ILE H H 7.871 0.000 1 1100 113 113 ILE HA H 3.560 0.003 1 1101 113 113 ILE HB H 1.835 0.002 1 1102 113 113 ILE HG12 H 1.568 0.012 2 1103 113 113 ILE HG13 H 1.099 0.012 2 1104 113 113 ILE HG2 H 0.680 0.001 1 1105 113 113 ILE HD1 H 0.579 0.001 1 1106 113 113 ILE C C 176.470 0.000 1 1107 113 113 ILE CA C 65.327 0.000 1 1108 113 113 ILE CB C 38.280 0.000 1 1109 113 113 ILE CG1 C 27.650 0.000 1 1110 113 113 ILE CG2 C 15.918 0.000 1 1111 113 113 ILE CD1 C 16.603 0.000 1 1112 113 113 ILE N N 125.705 0.000 1 1113 114 114 VAL H H 7.965 0.002 1 1114 114 114 VAL HA H 3.245 0.013 1 1115 114 114 VAL HB H 2.137 0.013 1 1116 114 114 VAL HG1 H 1.057 0.003 1 1117 114 114 VAL HG2 H 1.057 0.002 1 1118 114 114 VAL C C 177.495 0.000 1 1119 114 114 VAL CA C 67.082 0.000 1 1120 114 114 VAL CB C 32.242 0.000 1 1121 114 114 VAL CG1 C 21.892 0.000 1 1122 114 114 VAL CG2 C 21.652 0.000 1 1123 114 114 VAL N N 119.594 0.000 1 1124 115 115 ASP H H 8.170 0.007 1 1125 115 115 ASP HA H 4.492 0.016 1 1126 115 115 ASP HB2 H 2.662 0.012 2 1127 115 115 ASP HB3 H 2.691 0.002 2 1128 115 115 ASP C C 179.273 0.000 1 1129 115 115 ASP CA C 56.956 0.000 1 1130 115 115 ASP CB C 39.678 0.000 1 1131 115 115 ASP N N 115.590 0.000 1 1132 116 116 TYR H H 8.421 0.009 1 1133 116 116 TYR HA H 4.138 0.005 1 1134 116 116 TYR HB2 H 3.160 0.000 2 1135 116 116 TYR HB3 H 3.298 0.014 2 1136 116 116 TYR HD1 H 7.089 0.014 1 1137 116 116 TYR HD2 H 7.089 0.014 1 1138 116 116 TYR HE1 H 6.766 0.009 1 1139 116 116 TYR HE2 H 6.766 0.009 1 1140 116 116 TYR C C 177.666 0.000 1 1141 116 116 TYR CA C 61.345 0.000 1 1142 116 116 TYR CB C 38.351 0.000 1 1143 116 116 TYR N N 122.848 0.000 1 1144 117 117 PHE H H 8.552 0.002 1 1145 117 117 PHE HA H 3.801 0.005 1 1146 117 117 PHE HB2 H 2.923 0.002 2 1147 117 117 PHE HB3 H 2.931 0.002 2 1148 117 117 PHE HD1 H 6.547 0.008 1 1149 117 117 PHE HD2 H 6.547 0.008 1 1150 117 117 PHE HE1 H 6.686 0.009 1 1151 117 117 PHE HE2 H 6.686 0.009 1 1152 117 117 PHE C C 176.333 0.000 1 1153 117 117 PHE CA C 62.315 0.000 1 1154 117 117 PHE CB C 38.226 0.000 1 1155 117 117 PHE N N 118.351 0.000 1 1156 118 118 TYR H H 7.819 0.008 1 1157 118 118 TYR HA H 4.041 0.007 1 1158 118 118 TYR HB2 H 3.117 0.001 2 1159 118 118 TYR HB3 H 2.982 0.001 2 1160 118 118 TYR HD1 H 7.272 0.011 1 1161 118 118 TYR HD2 H 7.272 0.011 1 1162 118 118 TYR HE1 H 6.883 0.000 1 1163 118 118 TYR HE2 H 6.883 0.000 1 1164 118 118 TYR C C 178.812 0.000 1 1165 118 118 TYR CA C 61.353 0.000 1 1166 118 118 TYR CB C 36.770 0.000 1 1167 118 118 TYR N N 114.815 0.000 1 1168 119 119 CYS H H 8.122 0.004 1 1169 119 119 CYS HA H 4.094 0.013 1 1170 119 119 CYS HB2 H 2.888 0.014 2 1171 119 119 CYS HB3 H 3.000 0.012 2 1172 119 119 CYS C C 177.564 0.000 1 1173 119 119 CYS CA C 62.453 0.000 1 1174 119 119 CYS CB C 25.998 0.000 1 1175 119 119 CYS N N 120.627 0.000 1 1176 120 120 ILE H H 8.171 0.004 1 1177 120 120 ILE HA H 3.726 0.014 1 1178 120 120 ILE HB H 1.671 0.013 1 1179 120 120 ILE HG12 H 1.094 0.013 2 1180 120 120 ILE HG13 H 1.070 0.013 2 1181 120 120 ILE HG2 H 0.566 0.005 1 1182 120 120 ILE HD1 H 0.621 0.002 1 1183 120 120 ILE C C 177.837 0.000 1 1184 120 120 ILE CA C 63.327 0.000 1 1185 120 120 ILE CB C 36.492 0.000 1 1186 120 120 ILE CG1 C 27.429 0.000 1 1187 120 120 ILE CG2 C 17.706 0.004 1 1188 120 120 ILE CD1 C 13.039 0.000 1 1189 120 120 ILE N N 119.206 0.000 1 1190 121 121 LYS H H 7.938 0.003 1 1191 121 121 LYS HA H 3.726 0.005 1 1192 121 121 LYS HB2 H 1.471 0.006 2 1193 121 121 LYS HB3 H 1.120 0.000 2 1194 121 121 LYS HG2 H 1.034 0.001 2 1195 121 121 LYS HG3 H 1.110 0.001 2 1196 121 121 LYS HD2 H 1.438 0.009 2 1197 121 121 LYS HD3 H 1.404 0.004 2 1198 121 121 LYS HE2 H 2.977 0.001 2 1199 121 121 LYS HE3 H 2.992 0.013 2 1200 121 121 LYS C C 177.410 0.000 1 1201 121 121 LYS CA C 56.852 0.000 1 1202 121 121 LYS CB C 31.927 0.000 1 1203 121 121 LYS CG C 24.397 0.000 1 1204 121 121 LYS CE C 42.001 0.000 1 1205 121 121 LYS N N 121.531 0.000 1 1206 122 122 ALA H H 7.170 0.003 1 1207 122 122 ALA HA H 4.048 0.003 1 1208 122 122 ALA HB H 1.408 0.000 1 1209 122 122 ALA C C 178.829 0.000 1 1210 122 122 ALA CA C 53.574 0.000 1 1211 122 122 ALA CB C 18.026 0.000 1 1212 122 122 ALA N N 117.855 0.000 1 1213 123 123 LYS H H 7.107 0.009 1 1214 123 123 LYS HA H 4.231 0.010 1 1215 123 123 LYS HB2 H 1.839 0.009 2 1216 123 123 LYS HB3 H 1.843 0.010 2 1217 123 123 LYS HG2 H 1.453 0.013 2 1218 123 123 LYS HG3 H 1.455 0.013 2 1219 123 123 LYS HD2 H 1.657 0.013 1 1220 123 123 LYS HD3 H 1.656 0.013 1 1221 123 123 LYS HE2 H 2.956 0.000 1 1222 123 123 LYS HE3 H 2.957 0.000 1 1223 123 123 LYS C C 177.068 0.000 1 1224 123 123 LYS CA C 57.413 0.000 1 1225 123 123 LYS CB C 33.662 0.000 1 1226 123 123 LYS N N 116.107 0.000 1 1227 124 124 THR H H 8.475 0.003 1 1228 124 124 THR HA H 4.622 0.001 1 1229 124 124 THR HB H 4.149 0.004 1 1230 124 124 THR HG2 H 1.127 0.002 1 1231 124 124 THR CA C 57.443 0.000 1 1232 124 124 THR CB C 69.312 0.000 1 1233 124 124 THR CG2 C 21.858 0.000 1 1234 124 124 THR N N 113.283 0.000 1 1235 125 125 PRO HA H 4.612 0.002 1 1236 125 125 PRO HB2 H 2.385 0.013 2 1237 125 125 PRO HB3 H 1.917 0.013 2 1238 125 125 PRO HG2 H 1.924 0.013 2 1239 125 125 PRO HG3 H 1.915 0.013 2 1240 125 125 PRO HD2 H 3.690 0.013 2 1241 125 125 PRO HD3 H 3.353 0.000 2 1242 125 125 PRO C C 176.350 0.000 1 1243 125 125 PRO CA C 64.175 0.000 1 1244 125 125 PRO CB C 31.958 0.000 1 1245 125 125 PRO CG C 26.570 0.000 1 1246 125 125 PRO CD C 50.477 0.000 1 1247 126 126 ASP H H 8.228 0.001 1 1248 126 126 ASP HA H 4.401 0.011 1 1249 126 126 ASP HB2 H 2.556 0.000 2 1250 126 126 ASP HB3 H 2.700 0.011 2 1251 126 126 ASP C C 176.179 0.000 1 1252 126 126 ASP CA C 53.385 0.000 1 1253 126 126 ASP CB C 39.485 0.000 1 1254 126 126 ASP N N 115.073 0.000 1 1255 127 127 VAL H H 7.533 0.005 1 1256 127 127 VAL HA H 3.456 0.011 1 1257 127 127 VAL HB H 1.768 0.014 1 1258 127 127 VAL HG1 H 0.946 0.003 2 1259 127 127 VAL HG2 H 0.829 0.011 2 1260 127 127 VAL C C 174.573 0.000 1 1261 127 127 VAL CA C 64.922 0.000 1 1262 127 127 VAL CB C 31.670 0.000 1 1263 127 127 VAL CG1 C 23.361 0.000 1 1264 127 127 VAL CG2 C 21.310 0.000 1 1265 127 127 VAL N N 120.369 0.000 1 1266 128 128 GLU H H 8.394 0.002 1 1267 128 128 GLU HA H 4.396 0.003 1 1268 128 128 GLU HB2 H 2.051 0.006 2 1269 128 128 GLU HB3 H 2.041 0.016 2 1270 128 128 GLU HG2 H 2.027 0.012 2 1271 128 128 GLU HG3 H 2.478 0.000 2 1272 128 128 GLU C C 173.547 0.000 1 1273 128 128 GLU CA C 55.677 0.000 1 1274 128 128 GLU CB C 33.491 0.000 1 1275 128 128 GLU CG C 37.060 0.000 1 1276 128 128 GLU N N 124.563 0.000 1 1277 129 129 ALA H H 8.072 0.013 1 1278 129 129 ALA HA H 4.746 0.001 1 1279 129 129 ALA HB H 1.390 0.013 1 1280 129 129 ALA C C 174.778 0.000 1 1281 129 129 ALA CA C 50.489 0.000 1 1282 129 129 ALA CB C 22.559 0.000 1 1283 129 129 ALA N N 120.240 0.000 1 1284 130 130 LEU H H 9.174 0.010 1 1285 130 130 LEU HA H 5.239 0.003 1 1286 130 130 LEU HB2 H 1.660 0.012 2 1287 130 130 LEU HB3 H 1.299 0.013 2 1288 130 130 LEU HG H 1.339 0.013 1 1289 130 130 LEU HD1 H 0.987 0.004 2 1290 130 130 LEU HD2 H 0.941 0.003 2 1291 130 130 LEU C C 174.385 0.000 1 1292 130 130 LEU CA C 52.689 0.000 1 1293 130 130 LEU CB C 49.147 0.000 1 1294 130 130 LEU CG C 26.770 0.000 1 1295 130 130 LEU CD1 C 27.160 0.000 1 1296 130 130 LEU CD2 C 24.706 0.000 1 1297 130 130 LEU N N 121.224 0.000 1 1298 131 131 ALA H H 9.010 0.003 1 1299 131 131 ALA HA H 4.968 0.007 1 1300 131 131 ALA HB H 1.243 0.006 1 1301 131 131 ALA C C 175.957 0.000 1 1302 131 131 ALA CA C 50.489 0.000 1 1303 131 131 ALA CB C 20.076 0.000 1 1304 131 131 ALA N N 130.500 0.000 1 1305 132 132 VAL H H 7.451 0.002 1 1306 132 132 VAL HA H 4.719 0.003 1 1307 132 132 VAL HB H 2.171 0.002 1 1308 132 132 VAL HG1 H 0.766 0.003 2 1309 132 132 VAL HG2 H 0.763 0.008 2 1310 132 132 VAL C C 175.684 0.000 1 1311 132 132 VAL CA C 61.996 0.000 1 1312 132 132 VAL CB C 31.226 0.000 1 1313 132 132 VAL CG1 C 21.343 0.000 1 1314 132 132 VAL CG2 C 21.310 0.000 1 1315 132 132 VAL N N 122.575 0.000 1 1316 133 133 MET H H 9.226 0.008 1 1317 133 133 MET HA H 5.283 0.003 1 1318 133 133 MET HB2 H 1.710 0.014 2 1319 133 133 MET HB3 H 1.923 0.013 2 1320 133 133 MET HG2 H 2.427 0.002 2 1321 133 133 MET HG3 H 2.383 0.001 2 1322 133 133 MET HE H 1.817 0.003 1 1323 133 133 MET C C 173.171 0.000 1 1324 133 133 MET CA C 53.187 0.000 1 1325 133 133 MET CB C 37.536 0.000 1 1326 133 133 MET CG C 33.146 0.000 1 1327 133 133 MET CE C 18.431 0.000 1 1328 133 133 MET N N 127.214 0.000 1 1329 134 134 ILE H H 9.242 0.003 1 1330 134 134 ILE HA H 5.301 0.005 1 1331 134 134 ILE HB H 1.951 0.013 1 1332 134 134 ILE HG12 H 1.565 0.000 2 1333 134 134 ILE HG13 H 1.368 0.013 2 1334 134 134 ILE HG2 H 1.220 0.002 1 1335 134 134 ILE HD1 H 1.134 0.001 1 1336 134 134 ILE CA C 57.053 0.000 1 1337 134 134 ILE CB C 41.972 0.000 1 1338 134 134 ILE CG1 C 27.192 0.000 1 1339 134 134 ILE CG2 C 16.778 0.000 1 1340 134 134 ILE CD1 C 14.598 0.000 1 1341 134 134 ILE N N 119.296 0.000 1 1342 135 135 PRO HA H 4.615 0.013 1 1343 135 135 PRO HB2 H 2.508 0.001 2 1344 135 135 PRO HB3 H 1.795 0.013 2 1345 135 135 PRO HG2 H 2.101 0.013 2 1346 135 135 PRO HG3 H 1.744 0.013 2 1347 135 135 PRO HD2 H 4.139 0.007 2 1348 135 135 PRO HD3 H 3.581 0.002 2 1349 135 135 PRO C C 178.419 0.000 1 1350 135 135 PRO CA C 63.400 0.000 1 1351 135 135 PRO CB C 32.401 0.000 1 1352 135 135 PRO CG C 28.117 0.000 1 1353 135 135 PRO CD C 51.739 0.000 1 1354 136 136 LYS H H 8.483 0.004 1 1355 136 136 LYS HA H 3.872 0.004 1 1356 136 136 LYS HB2 H 1.568 0.010 2 1357 136 136 LYS HB3 H 1.574 0.007 2 1358 136 136 LYS HG2 H 1.236 0.001 2 1359 136 136 LYS HG3 H 1.228 0.007 2 1360 136 136 LYS HD2 H 1.626 0.013 1 1361 136 136 LYS HD3 H 1.626 0.013 1 1362 136 136 LYS HE2 H 2.880 0.000 2 1363 136 136 LYS HE3 H 2.888 0.000 2 1364 136 136 LYS C C 177.342 0.000 1 1365 136 136 LYS CA C 59.501 0.000 1 1366 136 136 LYS CB C 32.343 0.000 1 1367 136 136 LYS N N 123.856 0.000 1 1368 137 137 GLU H H 9.133 0.008 1 1369 137 137 GLU HA H 4.091 0.001 1 1370 137 137 GLU HB2 H 1.981 0.006 2 1371 137 137 GLU HB3 H 1.993 0.003 2 1372 137 137 GLU HG2 H 2.237 0.000 2 1373 137 137 GLU HG3 H 2.232 0.010 2 1374 137 137 GLU C C 177.205 0.000 1 1375 137 137 GLU CA C 58.346 0.000 1 1376 137 137 GLU CB C 28.428 0.000 1 1377 137 137 GLU CG C 36.217 0.000 1 1378 137 137 GLU N N 116.091 0.000 1 1379 138 138 LYS H H 7.774 0.007 1 1380 138 138 LYS HA H 4.228 0.010 1 1381 138 138 LYS HB2 H 1.845 0.004 2 1382 138 138 LYS HB3 H 1.765 0.006 2 1383 138 138 LYS HG2 H 1.363 0.013 2 1384 138 138 LYS HG3 H 1.192 0.013 2 1385 138 138 LYS HD2 H 1.569 0.011 2 1386 138 138 LYS HD3 H 1.561 0.011 2 1387 138 138 LYS HE2 H 2.950 0.011 1 1388 138 138 LYS HE3 H 2.950 0.011 1 1389 138 138 LYS C C 174.880 0.000 1 1390 138 138 LYS CA C 54.977 0.000 1 1391 138 138 LYS CB C 32.702 0.000 1 1392 138 138 LYS N N 116.786 0.000 1 1393 139 139 TYR H H 7.655 0.002 1 1394 139 139 TYR HA H 4.613 0.001 1 1395 139 139 TYR HB2 H 2.619 0.007 2 1396 139 139 TYR HB3 H 3.110 0.000 2 1397 139 139 TYR HD1 H 6.934 0.019 1 1398 139 139 TYR HD2 H 6.934 0.019 1 1399 139 139 TYR HE1 H 6.771 0.000 1 1400 139 139 TYR HE2 H 6.771 0.000 1 1401 139 139 TYR CA C 55.646 0.000 1 1402 139 139 TYR CB C 40.911 0.000 1 1403 139 139 TYR N N 122.480 0.000 1 1404 140 140 PRO HA H 4.251 0.013 1 1405 140 140 PRO HB2 H 1.633 0.001 2 1406 140 140 PRO HB3 H 1.879 0.013 2 1407 140 140 PRO HG2 H 1.351 0.013 2 1408 140 140 PRO HG3 H 1.358 0.013 2 1409 140 140 PRO HD2 H 2.575 0.011 2 1410 140 140 PRO HD3 H 3.427 0.003 2 1411 140 140 PRO C C 175.581 0.000 1 1412 140 140 PRO CA C 63.487 0.000 1 1413 140 140 PRO CB C 31.343 0.000 1 1414 140 140 PRO CG C 26.742 0.000 1 1415 140 140 PRO CD C 50.001 0.000 1 1416 141 141 ASN H H 7.696 0.008 1 1417 141 141 ASN HA H 4.789 0.001 1 1418 141 141 ASN HB2 H 2.844 0.003 2 1419 141 141 ASN HB3 H 2.620 0.011 2 1420 141 141 ASN HD21 H 6.781 0.000 2 1421 141 141 ASN HD22 H 6.986 0.000 2 1422 141 141 ASN CA C 51.804 0.000 1 1423 141 141 ASN CB C 38.580 0.000 1 1424 141 141 ASN N N 116.401 0.000 1 1425 142 142 PRO HA H 4.425 0.000 1 1426 142 142 PRO HB2 H 2.039 0.013 1 1427 142 142 PRO HB3 H 2.039 0.013 1 1428 142 142 PRO HG2 H 2.035 0.000 2 1429 142 142 PRO HG3 H 2.023 0.000 2 1430 142 142 PRO HD2 H 3.907 0.003 2 1431 142 142 PRO HD3 H 3.654 0.000 2 1432 142 142 PRO CA C 63.300 0.000 1 1433 142 142 PRO CB C 31.635 0.000 1 1434 142 142 PRO CG C 27.140 0.000 1 1435 142 142 PRO CD C 49.892 0.000 1 1436 143 143 SER H H 8.316 0.000 1 1437 145 145 ASP H H 8.356 0.000 1 1438 145 145 ASP HA H 4.620 0.013 1 1439 145 145 ASP HB2 H 2.750 0.013 2 1440 145 145 ASP HB3 H 2.710 0.013 2 1441 145 145 ASP CA C 54.520 0.000 1 1442 145 145 ASP CB C 40.700 0.000 1 1443 146 146 PHE H H 8.446 0.000 1 1444 146 146 PHE HA H 4.624 0.010 1 1445 146 146 PHE HB2 H 3.016 0.000 2 1446 146 146 PHE HB3 H 2.996 0.000 2 1447 146 146 PHE CA C 58.250 0.000 1 1448 147 147 ASN H H 8.396 0.000 1 1449 147 147 ASN HA H 4.710 0.013 1 1450 147 147 ASN HB2 H 2.808 0.012 2 1451 147 147 ASN HB3 H 2.788 0.012 2 1452 147 147 ASN HD21 H 7.296 0.000 2 1453 147 147 ASN HD22 H 7.226 0.000 2 1454 147 147 ASN CA C 53.430 0.000 1 1455 147 147 ASN CB C 38.660 0.000 1 1456 148 148 GLY H H 9.112 0.001 1 1457 148 148 GLY HA2 H 3.467 0.012 2 1458 148 148 GLY HA3 H 4.232 0.000 2 1459 148 148 GLY C C 173.838 0.000 1 1460 148 148 GLY CA C 45.355 0.000 1 1461 149 149 LEU H H 7.665 0.020 1 1462 149 149 LEU HA H 4.948 0.003 1 1463 149 149 LEU HB2 H 1.985 0.003 2 1464 149 149 LEU HB3 H 1.223 0.013 2 1465 149 149 LEU HG H 1.580 0.006 1 1466 149 149 LEU HD1 H 0.882 0.012 2 1467 149 149 LEU HD2 H 0.749 0.002 2 1468 149 149 LEU C C 174.914 0.000 1 1469 149 149 LEU CA C 53.188 0.000 1 1470 149 149 LEU CB C 45.563 0.000 1 1471 149 149 LEU CG C 26.770 0.000 1 1472 149 149 LEU CD1 C 25.688 0.000 1 1473 149 149 LEU CD2 C 23.265 0.000 1 1474 149 149 LEU N N 121.919 0.000 1 1475 150 150 VAL H H 9.516 0.001 1 1476 150 150 VAL HA H 4.591 0.013 1 1477 150 150 VAL HB H 1.801 0.013 1 1478 150 150 VAL HG1 H 0.405 0.003 2 1479 150 150 VAL HG2 H 0.638 0.006 2 1480 150 150 VAL CA C 58.216 0.000 1 1481 150 150 VAL CB C 34.491 0.000 1 1482 150 150 VAL CG1 C 19.839 0.000 1 1483 150 150 VAL CG2 C 20.606 0.000 1 1484 150 150 VAL N N 121.919 0.000 1 1485 151 151 PRO HA H 4.769 0.002 1 1486 151 151 PRO HB2 H 1.866 0.013 2 1487 151 151 PRO HB3 H 2.292 0.013 2 1488 151 151 PRO HG2 H 1.806 0.013 2 1489 151 151 PRO HG3 H 2.099 0.013 2 1490 151 151 PRO HD2 H 3.600 0.013 2 1491 151 151 PRO HD3 H 3.632 0.014 2 1492 151 151 PRO C C 176.949 0.000 1 1493 151 151 PRO CA C 63.308 0.000 1 1494 151 151 PRO CB C 31.701 0.000 1 1495 151 151 PRO CG C 27.703 0.000 1 1496 151 151 PRO CD C 49.935 0.000 1 1497 152 152 ALA H H 8.450 0.005 1 1498 152 152 ALA HA H 4.302 0.011 1 1499 152 152 ALA HB H 1.220 0.005 1 1500 152 152 ALA C C 176.384 0.000 1 1501 152 152 ALA CA C 52.261 0.000 1 1502 152 152 ALA CB C 20.082 0.002 1 1503 152 152 ALA N N 123.469 0.000 1 1504 153 153 GLY H H 8.112 0.009 1 1505 153 153 GLY HA2 H 3.633 0.011 2 1506 153 153 GLY HA3 H 4.138 0.001 2 1507 153 153 GLY C C 173.188 0.000 1 1508 153 153 GLY CA C 45.349 0.000 1 1509 153 153 GLY N N 102.053 0.000 1 1510 154 154 ILE H H 6.960 0.006 1 1511 154 154 ILE HA H 4.979 0.001 1 1512 154 154 ILE HB H 1.266 0.000 1 1513 154 154 ILE HG12 H 1.507 0.008 2 1514 154 154 ILE HG13 H 0.789 0.013 2 1515 154 154 ILE HG2 H 0.748 0.013 1 1516 154 154 ILE HD1 H 0.644 0.012 1 1517 154 154 ILE C C 173.359 0.000 1 1518 154 154 ILE CA C 59.505 0.000 1 1519 154 154 ILE CB C 41.582 0.000 1 1520 154 154 ILE CG1 C 27.092 0.000 1 1521 154 154 ILE CG2 C 17.550 0.000 1 1522 154 154 ILE CD1 C 14.981 0.000 1 1523 154 154 ILE N N 116.269 0.000 1 1524 155 155 ASN H H 8.647 0.012 1 1525 155 155 ASN HA H 5.460 0.010 1 1526 155 155 ASN HB2 H 2.611 0.010 2 1527 155 155 ASN HB3 H 2.027 0.003 2 1528 155 155 ASN HD21 H 7.513 0.013 2 1529 155 155 ASN HD22 H 6.727 0.007 2 1530 155 155 ASN C C 173.479 0.000 1 1531 155 155 ASN CA C 51.908 0.000 1 1532 155 155 ASN CB C 42.687 0.000 1 1533 155 155 ASN N N 122.369 0.000 1 1534 155 155 ASN ND2 N 113.258 0.000 1 1535 156 156 VAL H H 9.138 0.004 1 1536 156 156 VAL HA H 4.619 0.016 1 1537 156 156 VAL HB H 1.304 0.001 1 1538 156 156 VAL HG1 H 0.418 0.004 2 1539 156 156 VAL HG2 H -0.504 0.003 2 1540 156 156 VAL C C 175.308 0.000 1 1541 156 156 VAL CA C 61.320 0.000 1 1542 156 156 VAL CB C 32.484 0.000 1 1543 156 156 VAL CG1 C 20.588 0.000 1 1544 156 156 VAL CG2 C 19.710 0.000 1 1545 156 156 VAL N N 121.209 0.000 1 1546 157 157 VAL H H 8.307 0.004 1 1547 157 157 VAL HA H 4.352 0.006 1 1548 157 157 VAL HB H 1.265 0.002 1 1549 157 157 VAL HG1 H 0.620 0.004 2 1550 157 157 VAL HG2 H 0.075 0.001 2 1551 157 157 VAL C C 173.974 0.000 1 1552 157 157 VAL CA C 59.461 0.000 1 1553 157 157 VAL CB C 34.948 0.000 1 1554 157 157 VAL CG1 C 20.932 0.000 1 1555 157 157 VAL CG2 C 20.223 0.000 1 1556 157 157 VAL N N 123.122 0.000 1 1557 158 158 SER H H 8.989 0.009 1 1558 158 158 SER HA H 4.634 0.002 1 1559 158 158 SER HB2 H 3.515 0.001 2 1560 158 158 SER HB3 H 3.658 0.007 2 1561 158 158 SER CA C 58.404 0.000 1 1562 158 158 SER CB C 62.493 0.000 1 1563 158 158 SER N N 117.209 0.000 1 1564 159 159 PRO C C 172.863 0.000 1 1565 160 160 LYS H H 8.182 0.005 1 1566 160 160 LYS HA H 4.381 0.002 1 1567 160 160 LYS HB2 H 1.583 0.007 2 1568 160 160 LYS HB3 H 1.528 0.009 2 1569 160 160 LYS HG2 H 1.039 0.005 2 1570 160 160 LYS HG3 H 1.017 0.004 2 1571 160 160 LYS HD2 H 1.500 0.002 2 1572 160 160 LYS HD3 H 1.507 0.001 2 1573 160 160 LYS HE2 H 2.766 0.000 2 1574 160 160 LYS HE3 H 2.870 0.000 2 1575 160 160 LYS CA C 54.045 0.000 1 1576 160 160 LYS CB C 34.517 0.000 1 1577 160 160 LYS CG C 23.022 0.000 1 1578 160 160 LYS CD C 26.383 0.000 1 1579 160 160 LYS CE C 41.323 0.000 1 1580 160 160 LYS N N 123.495 0.000 1 1581 161 161 HIS H H 8.276 0.000 1 1582 161 161 HIS HA H 4.574 0.000 1 1583 161 161 HIS HB2 H 3.060 0.000 2 1584 161 161 HIS HB3 H 2.926 0.000 2 1585 161 161 HIS CA C 55.931 0.000 1 1586 161 161 HIS CB C 30.982 0.000 1 1587 162 162 GLY H H 8.366 0.000 1 1588 162 162 GLY HA2 H 3.939 0.012 2 1589 162 162 GLY HA3 H 3.959 0.012 2 1590 162 162 GLY CA C 45.330 0.000 1 1591 163 163 TYR H H 8.396 0.000 1 1592 163 163 TYR HA H 4.166 0.001 1 1593 163 163 TYR HB2 H 3.031 0.012 2 1594 163 163 TYR HB3 H 2.740 0.012 2 1595 163 163 TYR HD1 H 7.012 0.003 1 1596 163 163 TYR HD2 H 7.012 0.003 1 1597 163 163 TYR HE1 H 6.654 0.000 1 1598 163 163 TYR HE2 H 6.654 0.000 1 1599 163 163 TYR C C 175.273 0.000 1 1600 163 163 TYR CA C 59.090 0.000 1 1601 163 163 TYR CB C 38.282 0.000 1 1602 164 164 GLN H H 7.442 0.006 1 1603 164 164 GLN HA H 4.390 0.012 1 1604 164 164 GLN HB2 H 1.445 0.012 2 1605 164 164 GLN HB3 H 1.840 0.012 2 1606 164 164 GLN HG2 H 1.763 0.011 2 1607 164 164 GLN HG3 H 2.377 0.012 2 1608 164 164 GLN HE21 H 6.739 0.012 2 1609 164 164 GLN HE22 H 7.074 0.004 2 1610 164 164 GLN C C 174.179 0.000 1 1611 164 164 GLN CA C 53.771 0.000 1 1612 164 164 GLN CB C 30.506 0.000 1 1613 164 164 GLN CG C 33.628 0.000 1 1614 164 164 GLN N N 125.333 0.000 1 1615 164 164 GLN NE2 N 109.283 0.000 1 1616 165 165 LYS H H 8.743 0.005 1 1617 165 165 LYS HA H 4.068 0.007 1 1618 165 165 LYS HB2 H 2.010 0.010 2 1619 165 165 LYS HB3 H 1.735 0.000 2 1620 165 165 LYS HG2 H 1.417 0.001 2 1621 165 165 LYS HG3 H 1.255 0.012 2 1622 165 165 LYS HD2 H 1.626 0.013 1 1623 165 165 LYS HD3 H 1.626 0.013 1 1624 165 165 LYS HE2 H 2.916 0.008 2 1625 165 165 LYS HE3 H 2.923 0.004 2 1626 165 165 LYS C C 174.966 0.000 1 1627 165 165 LYS CA C 57.149 0.000 1 1628 165 165 LYS CB C 31.809 0.000 1 1629 165 165 LYS N N 124.316 0.000 1 1630 166 166 GLU H H 8.373 0.010 1 1631 166 166 GLU HA H 4.984 0.008 1 1632 166 166 GLU HB2 H 1.964 0.000 2 1633 166 166 GLU HB3 H 1.664 0.006 2 1634 166 166 GLU HG2 H 2.035 0.002 2 1635 166 166 GLU HG3 H 1.829 0.013 2 1636 166 166 GLU C C 175.957 0.000 1 1637 166 166 GLU CA C 54.657 0.000 1 1638 166 166 GLU CB C 33.976 0.000 1 1639 166 166 GLU CG C 37.403 0.000 1 1640 166 166 GLU N N 130.650 0.000 1 1641 167 167 GLU H H 8.147 0.010 1 1642 167 167 GLU HA H 4.721 0.001 1 1643 167 167 GLU HB2 H 2.174 0.014 2 1644 167 167 GLU HB3 H 1.714 0.006 2 1645 167 167 GLU HG2 H 2.263 0.008 2 1646 167 167 GLU HG3 H 2.375 0.011 2 1647 167 167 GLU C C 174.573 0.000 1 1648 167 167 GLU CA C 54.138 0.000 1 1649 167 167 GLU CB C 32.866 0.000 1 1650 167 167 GLU CG C 36.579 0.000 1 1651 167 167 GLU N N 125.631 0.000 1 1652 168 168 ILE H H 8.701 0.006 1 1653 168 168 ILE HA H 5.014 0.001 1 1654 168 168 ILE HB H 1.692 0.013 1 1655 168 168 ILE HG12 H 1.478 0.013 2 1656 168 168 ILE HG13 H 1.111 0.013 2 1657 168 168 ILE HG2 H 0.745 0.009 1 1658 168 168 ILE HD1 H 0.750 0.000 1 1659 168 168 ILE C C 175.530 0.000 1 1660 168 168 ILE CA C 59.756 0.000 1 1661 168 168 ILE CB C 40.697 0.000 1 1662 168 168 ILE CG1 C 27.305 0.000 1 1663 168 168 ILE CG2 C 17.612 0.000 1 1664 168 168 ILE CD1 C 13.216 0.000 1 1665 168 168 ILE N N 119.469 0.000 1 1666 169 169 MET H H 8.572 0.018 1 1667 169 169 MET HA H 4.477 0.015 1 1668 169 169 MET HB2 H 1.649 0.012 2 1669 169 169 MET HB3 H 1.574 0.012 2 1670 169 169 MET HG2 H 1.353 0.012 2 1671 169 169 MET HG3 H 1.350 0.012 2 1672 169 169 MET HE H 1.548 0.007 1 1673 169 169 MET C C 173.256 0.000 1 1674 169 169 MET CA C 53.990 0.000 1 1675 169 169 MET CB C 35.624 0.000 1 1676 169 169 MET CG C 32.070 0.000 1 1677 169 169 MET CE C 17.546 0.000 1 1678 169 169 MET N N 126.600 0.000 1 1679 170 170 VAL H H 8.467 0.012 1 1680 170 170 VAL HA H 4.669 0.012 1 1681 170 170 VAL HB H 1.882 0.010 1 1682 170 170 VAL HG1 H 0.820 0.012 2 1683 170 170 VAL HG2 H 0.762 0.004 2 1684 170 170 VAL C C 176.231 0.000 1 1685 170 170 VAL CA C 61.385 0.000 1 1686 170 170 VAL CB C 32.155 0.000 1 1687 170 170 VAL CG1 C 22.000 0.000 1 1688 170 170 VAL CG2 C 21.378 0.000 1 1689 170 170 VAL N N 127.817 0.000 1 1690 171 171 ILE H H 8.670 0.000 1 1691 171 171 ILE HA H 4.530 0.004 1 1692 171 171 ILE HB H 1.770 0.002 1 1693 171 171 ILE HG12 H 1.534 0.013 2 1694 171 171 ILE HG13 H 0.978 0.005 2 1695 171 171 ILE HG2 H 0.785 0.004 1 1696 171 171 ILE HD1 H 0.670 0.000 1 1697 171 171 ILE C C 173.718 0.000 1 1698 171 171 ILE CA C 59.261 0.000 1 1699 171 171 ILE CB C 40.834 0.000 1 1700 171 171 ILE CG1 C 26.539 0.000 1 1701 171 171 ILE CG2 C 17.360 0.000 1 1702 171 171 ILE CD1 C 13.671 0.003 1 1703 171 171 ILE N N 123.817 0.000 1 1704 172 172 ASP H H 8.338 0.001 1 1705 172 172 ASP HA H 4.706 0.001 1 1706 172 172 ASP HB2 H 2.420 0.012 2 1707 172 172 ASP HB3 H 2.668 0.011 2 1708 172 172 ASP C C 175.530 0.000 1 1709 172 172 ASP CA C 52.445 0.000 1 1710 172 172 ASP CB C 40.420 0.000 1 1711 172 172 ASP N N 121.727 0.000 1 1712 173 173 GLU H H 7.064 0.014 1 1713 173 173 GLU HA H 4.426 0.012 1 1714 173 173 GLU HB2 H 1.498 0.000 2 1715 173 173 GLU HB3 H 1.895 0.000 2 1716 173 173 GLU HG2 H 2.116 0.000 2 1717 173 173 GLU HG3 H 2.089 0.002 2 1718 173 173 GLU C C 173.530 0.000 1 1719 173 173 GLU CA C 54.088 0.000 1 1720 173 173 GLU CB C 33.002 0.000 1 1721 173 173 GLU CG C 35.409 0.000 1 1722 173 173 GLU N N 117.527 0.000 1 1723 174 174 LEU H H 8.381 0.003 1 1724 174 174 LEU HA H 4.222 0.008 1 1725 174 174 LEU HB2 H 1.789 0.008 2 1726 174 174 LEU HB3 H 1.321 0.001 2 1727 174 174 LEU HG H 1.402 0.013 1 1728 174 174 LEU HD1 H 0.746 0.013 2 1729 174 174 LEU HD2 H 0.726 0.006 2 1730 174 174 LEU C C 174.726 0.000 1 1731 174 174 LEU CA C 54.938 0.000 1 1732 174 174 LEU CB C 41.212 0.000 1 1733 174 174 LEU CG C 26.770 0.000 1 1734 174 174 LEU CD1 C 24.775 0.000 1 1735 174 174 LEU CD2 C 24.089 0.000 1 1736 174 174 LEU N N 120.885 0.000 1 1737 175 175 ILE H H 6.744 0.009 1 1738 175 175 ILE HA H 4.455 0.001 1 1739 175 175 ILE HB H 1.661 0.013 1 1740 175 175 ILE HG12 H 1.436 0.013 2 1741 175 175 ILE HG13 H 1.207 0.013 2 1742 175 175 ILE HG2 H 0.811 0.000 1 1743 175 175 ILE HD1 H 0.686 0.014 1 1744 175 175 ILE CA C 60.295 0.000 1 1745 175 175 ILE CB C 40.030 0.000 1 1746 175 175 ILE CG1 C 27.650 0.000 1 1747 175 175 ILE CG2 C 18.204 0.000 1 1748 175 175 ILE CD1 C 13.680 0.000 1 1749 175 175 ILE N N 126.439 0.000 1 1750 176 176 PHE H H 8.446 0.000 1 1751 176 176 PHE HA H 4.624 0.010 1 1752 176 176 PHE HB2 H 3.016 0.000 2 1753 176 176 PHE HB3 H 2.996 0.000 2 1754 176 176 PHE CA C 58.250 0.000 1 1755 177 177 ASN H H 8.396 0.000 1 1756 177 177 ASN HA H 4.710 0.013 1 1757 177 177 ASN HB2 H 2.808 0.012 2 1758 177 177 ASN HB3 H 2.788 0.012 2 1759 177 177 ASN HD21 H 7.296 0.000 2 1760 177 177 ASN HD22 H 7.226 0.000 2 1761 177 177 ASN CA C 53.430 0.000 1 1762 177 177 ASN CB C 38.660 0.000 1 1763 178 178 ILE H H 8.286 0.000 1 1764 178 178 ILE HA H 3.921 0.000 1 1765 178 178 ILE HB H 1.855 0.000 1 1766 178 178 ILE HG12 H 1.311 0.012 2 1767 178 178 ILE HG13 H 1.249 0.012 2 1768 178 178 ILE HG2 H 0.711 0.002 1 1769 178 178 ILE HD1 H 0.572 0.002 1 1770 178 178 ILE CG1 C 27.650 0.000 1 1771 178 178 ILE CG2 C 17.360 0.000 1 1772 178 178 ILE CD1 C 12.486 0.000 1 1773 179 179 ASN H H 8.552 0.000 1 1774 179 179 ASN HA H 4.826 0.009 1 1775 179 179 ASN HB2 H 2.833 0.001 2 1776 179 179 ASN HB3 H 2.780 0.007 2 1777 179 179 ASN HD21 H 7.611 0.000 2 1778 179 179 ASN HD22 H 6.854 0.000 2 1779 179 179 ASN C C 175.461 0.000 1 1780 179 179 ASN CA C 53.430 0.000 1 1781 179 179 ASN CB C 41.458 0.000 1 1782 180 180 THR H H 8.459 0.000 1 1783 180 180 THR HA H 4.763 0.017 1 1784 180 180 THR HB H 4.614 0.010 1 1785 180 180 THR HG2 H 1.214 0.000 1 1786 180 180 THR C C 173.872 0.000 1 1787 180 180 THR CA C 59.450 0.000 1 1788 180 180 THR CB C 73.234 0.000 1 1789 180 180 THR CG2 C 21.120 0.000 1 1790 180 180 THR N N 109.911 0.000 1 1791 181 181 LYS H H 9.532 0.000 1 1792 181 181 LYS HA H 3.870 0.001 1 1793 181 181 LYS HB2 H 1.839 0.012 2 1794 181 181 LYS HB3 H 1.534 0.000 2 1795 181 181 LYS HG2 H 1.191 0.000 2 1796 181 181 LYS HG3 H 1.238 0.000 2 1797 181 181 LYS HD2 H 1.654 0.000 2 1798 181 181 LYS HD3 H 1.636 0.000 2 1799 181 181 LYS HE2 H 2.958 0.007 2 1800 181 181 LYS HE3 H 2.827 0.010 2 1801 181 181 LYS CA C 59.578 0.000 1 1802 181 181 LYS CB C 32.397 0.000 1 1803 181 181 LYS CG C 24.560 0.000 1 1804 181 181 LYS N N 126.333 0.000 1 1805 182 182 ASP H H 8.445 0.003 1 1806 182 182 ASP HA H 4.624 0.017 1 1807 182 182 ASP HB2 H 3.246 0.011 2 1808 182 182 ASP HB3 H 3.001 0.012 2 1809 182 182 ASP C C 178.641 0.000 1 1810 182 182 ASP CA C 57.144 0.000 1 1811 182 182 ASP CB C 41.776 0.000 1 1812 183 183 ASP H H 7.791 0.009 1 1813 183 183 ASP HA H 4.549 0.016 1 1814 183 183 ASP HB2 H 3.231 0.003 2 1815 183 183 ASP HB3 H 2.985 0.011 2 1816 183 183 ASP C C 177.820 0.000 1 1817 183 183 ASP CA C 56.970 0.000 1 1818 183 183 ASP CB C 41.745 0.000 1 1819 183 183 ASP N N 121.015 0.000 1 1820 184 184 LEU H H 7.540 0.009 1 1821 184 184 LEU HA H 3.958 0.007 1 1822 184 184 LEU HB2 H 1.788 0.012 2 1823 184 184 LEU HB3 H 1.720 0.012 2 1824 184 184 LEU HG H 1.465 0.006 1 1825 184 184 LEU HD1 H 0.882 0.000 2 1826 184 184 LEU HD2 H 0.956 0.000 2 1827 184 184 LEU C C 178.350 0.000 1 1828 184 184 LEU CA C 57.895 0.000 1 1829 184 184 LEU CB C 41.418 0.000 1 1830 184 184 LEU CG C 26.731 0.000 1 1831 184 184 LEU CD1 C 24.397 0.000 1 1832 184 184 LEU CD2 C 25.152 0.000 1 1833 184 184 LEU N N 119.693 0.000 1 1834 185 185 LYS H H 7.488 0.002 1 1835 185 185 LYS HA H 4.095 0.006 1 1836 185 185 LYS HB2 H 1.985 0.010 2 1837 185 185 LYS HB3 H 1.908 0.010 2 1838 185 185 LYS HG2 H 1.400 0.011 2 1839 185 185 LYS HG3 H 1.390 0.011 2 1840 185 185 LYS HD2 H 1.626 0.013 1 1841 185 185 LYS HD3 H 1.626 0.013 1 1842 185 185 LYS HE2 H 2.956 0.000 1 1843 185 185 LYS HE3 H 2.956 0.000 1 1844 185 185 LYS C C 179.085 0.000 1 1845 185 185 LYS CA C 58.644 0.000 1 1846 185 185 LYS CB C 31.609 0.000 1 1847 185 185 LYS N N 118.302 0.000 1 1848 186 186 LEU H H 7.462 0.006 1 1849 186 186 LEU HA H 4.065 0.013 1 1850 186 186 LEU HB2 H 1.632 0.013 2 1851 186 186 LEU HB3 H 1.627 0.012 2 1852 186 186 LEU HG H 1.389 0.013 1 1853 186 186 LEU HD1 H 0.777 0.012 2 1854 186 186 LEU HD2 H 0.460 0.012 2 1855 186 186 LEU C C 178.538 0.000 1 1856 186 186 LEU CA C 57.496 0.000 1 1857 186 186 LEU CB C 41.197 0.000 1 1858 186 186 LEU CG C 26.770 0.000 1 1859 186 186 LEU CD1 C 23.608 0.000 1 1860 186 186 LEU CD2 C 24.377 0.000 1 1861 186 186 LEU N N 120.756 0.000 1 1862 187 187 ALA H H 8.406 0.002 1 1863 187 187 ALA HA H 3.778 0.002 1 1864 187 187 ALA HB H 1.456 0.003 1 1865 187 187 ALA C C 178.162 0.000 1 1866 187 187 ALA CA C 54.941 0.000 1 1867 187 187 ALA CB C 19.228 0.000 1 1868 187 187 ALA N N 119.852 0.000 1 1869 188 188 GLU H H 7.961 0.004 1 1870 188 188 GLU HA H 3.721 0.009 1 1871 188 188 GLU HB2 H 2.024 0.001 2 1872 188 188 GLU HB3 H 2.118 0.000 2 1873 188 188 GLU HG2 H 2.387 0.014 2 1874 188 188 GLU HG3 H 2.125 0.002 2 1875 188 188 GLU C C 177.940 0.000 1 1876 188 188 GLU CA C 59.852 0.000 1 1877 188 188 GLU CB C 29.545 0.000 1 1878 188 188 GLU CG C 37.025 0.000 1 1879 188 188 GLU N N 115.977 0.000 1 1880 189 189 MET H H 7.425 0.002 1 1881 189 189 MET HA H 4.070 0.013 1 1882 189 189 MET HB2 H 2.160 0.012 2 1883 189 189 MET HB3 H 2.222 0.013 2 1884 189 189 MET HG2 H 2.525 0.001 2 1885 189 189 MET HG3 H 2.715 0.012 2 1886 189 189 MET HE H 2.012 0.000 1 1887 189 189 MET C C 178.726 0.000 1 1888 189 189 MET CA C 58.132 0.000 1 1889 189 189 MET CB C 32.095 0.000 1 1890 189 189 MET CG C 32.070 0.000 1 1891 189 189 MET CE C 16.722 0.000 1 1892 189 189 MET N N 116.365 0.000 1 1893 190 190 LEU H H 7.997 0.000 1 1894 190 190 LEU HA H 3.976 0.003 1 1895 190 190 LEU HB2 H 1.694 0.005 2 1896 190 190 LEU HB3 H 1.406 0.012 2 1897 190 190 LEU HG H 1.428 0.013 1 1898 190 190 LEU HD1 H 0.692 0.012 2 1899 190 190 LEU HD2 H 0.567 0.013 2 1900 190 190 LEU C C 179.359 0.000 1 1901 190 190 LEU CA C 57.053 0.000 1 1902 190 190 LEU CB C 42.070 0.000 1 1903 190 190 LEU CG C 26.770 0.000 1 1904 190 190 LEU CD1 C 22.750 0.000 1 1905 190 190 LEU CD2 C 25.242 0.000 1 1906 190 190 LEU N N 119.569 0.000 1 1907 191 191 LEU H H 8.042 0.011 1 1908 191 191 LEU HA H 4.097 0.001 1 1909 191 191 LEU HB2 H 1.471 0.002 2 1910 191 191 LEU HB3 H 1.821 0.012 2 1911 191 191 LEU HG H 1.665 0.001 1 1912 191 191 LEU HD1 H 0.726 0.001 2 1913 191 191 LEU HD2 H 0.554 0.002 2 1914 191 191 LEU C C 178.965 0.000 1 1915 191 191 LEU CA C 56.930 0.000 1 1916 191 191 LEU CB C 41.898 0.000 1 1917 191 191 LEU CG C 26.770 0.000 1 1918 191 191 LEU CD1 C 22.888 0.000 1 1919 191 191 LEU CD2 C 25.324 0.000 1 1920 191 191 LEU N N 119.445 0.000 1 1921 192 192 LYS H H 7.810 0.009 1 1922 192 192 LYS HA H 4.211 0.004 1 1923 192 192 LYS HB2 H 1.795 0.010 2 1924 192 192 LYS HB3 H 1.785 0.010 2 1925 192 192 LYS HG2 H 1.400 0.011 2 1926 192 192 LYS HG3 H 1.390 0.011 2 1927 192 192 LYS HD2 H 1.630 0.011 1 1928 192 192 LYS HD3 H 1.630 0.011 1 1929 192 192 LYS HE2 H 2.956 0.000 1 1930 192 192 LYS HE3 H 2.956 0.000 1 1931 192 192 LYS CA C 58.631 0.000 1 1932 192 192 LYS CB C 32.149 0.000 1 1933 192 192 LYS N N 118.873 0.000 1 1934 193 193 LYS H H 8.189 0.011 1 1935 193 193 LYS HA H 4.191 0.010 1 1936 193 193 LYS HB2 H 1.871 0.011 1 1937 193 193 LYS HB3 H 1.871 0.011 1 1938 193 193 LYS HG2 H 1.406 0.000 2 1939 193 193 LYS HG3 H 1.396 0.000 2 1940 193 193 LYS HD2 H 1.636 0.000 1 1941 193 193 LYS HD3 H 1.636 0.000 1 1942 193 193 LYS HE2 H 2.956 0.000 1 1943 193 193 LYS HE3 H 2.956 0.000 1 1944 193 193 LYS C C 176.658 0.000 1 1945 193 193 LYS CA C 57.242 0.000 1 1946 193 193 LYS CB C 32.283 0.000 1 1947 194 194 ASP H H 7.893 0.007 1 1948 194 194 ASP HA H 4.647 0.016 1 1949 194 194 ASP HB2 H 2.756 0.014 2 1950 194 194 ASP HB3 H 2.628 0.004 2 1951 194 194 ASP C C 176.384 0.000 1 1952 194 194 ASP CA C 54.426 0.000 1 1953 194 194 ASP CB C 41.215 0.000 1 1954 194 194 ASP N N 119.336 0.000 1 1955 195 195 GLY H H 8.015 0.009 1 1956 195 195 GLY HA2 H 3.916 0.011 2 1957 195 195 GLY HA3 H 3.986 0.006 2 1958 195 195 GLY C C 173.239 0.000 1 1959 195 195 GLY CA C 45.373 0.000 1 1960 195 195 GLY N N 108.357 0.000 1 1961 196 196 LEU H H 7.612 0.006 1 1962 196 196 LEU HA H 4.193 0.000 1 1963 196 196 LEU HB2 H 1.587 0.012 2 1964 196 196 LEU HB3 H 1.581 0.003 2 1965 196 196 LEU HG H 1.568 0.008 1 1966 196 196 LEU HD1 H 0.854 0.004 2 1967 196 196 LEU HD2 H 0.894 0.000 2 1968 196 196 LEU CA C 56.285 0.000 1 1969 196 196 LEU CB C 42.918 0.000 1 1970 196 196 LEU CG C 26.770 0.000 1 1971 196 196 LEU CD1 C 23.608 0.000 1 1972 196 196 LEU CD2 C 25.375 0.000 1 1973 196 196 LEU N N 126.827 0.000 1 stop_ save_