data_17389 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the serine-rich domain of hEF1( Enhancer of filamentation 1) from homo sapiens, Northeast Structural Genomics Consortium Target HR5554A ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Xiao Rong . . 3 Huang Yuanpeng J. . 4 Patel Daya . . 5 Ciccosanti Colleen T. . 6 Acton Thomas B. . 7 Tong Saichu . . 8 Everett John T. . 9 Montelione Gaetano T. . stop_ _BMRB_accession_number 17389 _BMRB_flat_file_name bmr17389.str _Entry_type original _Submission_date 2010-12-31 _Accession_date 2010-12-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'hEF1, also named CRK-associated substrate-related protein CAS-L CasL Cas scaffolding protein family member 2 Neural precursor cell expressed developmentally down-regulated protein 9 NEDD-9 Renal carcinoma antigen NY-REN-12 p105Contains Enhancer of filamentation 1 )' loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 969 "13C chemical shifts" 569 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-31 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Northeast Structural Genomics Consortium Target HR5554A' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Xiao Rong . . 3 Huang Yuanpeng J. . 4 Patel Daya . . 5 Ciccosanti Colleen . . 6 Tong Saichu . . 7 Acton Thomas B. . 8 Everett John T. . 9 Montelione Gaetano . . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword hef1 serine-rich stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HR5554A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR5554A $HR5554A 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_HR5554A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR5554A _Molecular_mass 20238.305 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; MGHHHHHHSHMDKRLFLDPD TAIERLQRLQQALEMGVSSL MALVTTDWRCYGYMERHINE IRTAVDKVELFLKEYLHFVK GAVANAACLPELILHNKMKR ELQRVEDSHQILSQTSHDLN ECSWSLNILAINKPQNKCDD LDRFVMVAKTVPDDAKQLTT TINTNAEALFRPGPGS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 SER 10 HIS 11 MET 12 ASP 13 LYS 14 ARG 15 LEU 16 PHE 17 LEU 18 ASP 19 PRO 20 ASP 21 THR 22 ALA 23 ILE 24 GLU 25 ARG 26 LEU 27 GLN 28 ARG 29 LEU 30 GLN 31 GLN 32 ALA 33 LEU 34 GLU 35 MET 36 GLY 37 VAL 38 SER 39 SER 40 LEU 41 MET 42 ALA 43 LEU 44 VAL 45 THR 46 THR 47 ASP 48 TRP 49 ARG 50 CYS 51 TYR 52 GLY 53 TYR 54 MET 55 GLU 56 ARG 57 HIS 58 ILE 59 ASN 60 GLU 61 ILE 62 ARG 63 THR 64 ALA 65 VAL 66 ASP 67 LYS 68 VAL 69 GLU 70 LEU 71 PHE 72 LEU 73 LYS 74 GLU 75 TYR 76 LEU 77 HIS 78 PHE 79 VAL 80 LYS 81 GLY 82 ALA 83 VAL 84 ALA 85 ASN 86 ALA 87 ALA 88 CYS 89 LEU 90 PRO 91 GLU 92 LEU 93 ILE 94 LEU 95 HIS 96 ASN 97 LYS 98 MET 99 LYS 100 ARG 101 GLU 102 LEU 103 GLN 104 ARG 105 VAL 106 GLU 107 ASP 108 SER 109 HIS 110 GLN 111 ILE 112 LEU 113 SER 114 GLN 115 THR 116 SER 117 HIS 118 ASP 119 LEU 120 ASN 121 GLU 122 CYS 123 SER 124 TRP 125 SER 126 LEU 127 ASN 128 ILE 129 LEU 130 ALA 131 ILE 132 ASN 133 LYS 134 PRO 135 GLN 136 ASN 137 LYS 138 CYS 139 ASP 140 ASP 141 LEU 142 ASP 143 ARG 144 PHE 145 VAL 146 MET 147 VAL 148 ALA 149 LYS 150 THR 151 VAL 152 PRO 153 ASP 154 ASP 155 ALA 156 LYS 157 GLN 158 LEU 159 THR 160 THR 161 THR 162 ILE 163 ASN 164 THR 165 ASN 166 ALA 167 GLU 168 ALA 169 LEU 170 PHE 171 ARG 172 PRO 173 GLY 174 PRO 175 GLY 176 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2011-06-06 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 2L81 "Solution Nmr Structure Of The Serine-Rich Domain Of Hef1 (Enhancer Of Filamentation 1) From Homo Sapiens, Northeast Structural " 100.00 176 100.00 100.00 3.87e-101 DBJ BAF85371 "unnamed protein product [Homo sapiens]" 93.75 834 100.00 100.00 9.95e-95 GB EAW55302 "neural precursor cell expressed, developmentally down-regulated 9, isoform CRA_c [Homo sapiens]" 93.75 800 100.00 100.00 8.21e-95 GB EAW55303 "neural precursor cell expressed, developmentally down-regulated 9, isoform CRA_d [Homo sapiens]" 93.75 688 100.00 100.00 1.03e-94 REF NP_001135865 "enhancer of filamentation 1 isoform 3 [Homo sapiens]" 93.75 834 100.00 100.00 9.16e-95 REF NP_006394 "enhancer of filamentation 1 isoform 1 [Homo sapiens]" 93.75 834 100.00 100.00 6.95e-95 REF XP_001088846 "PREDICTED: enhancer of filamentation 1-like isoform 1 [Macaca mulatta]" 93.75 834 98.18 98.79 9.55e-93 REF XP_001089291 "PREDICTED: enhancer of filamentation 1-like isoform 4 [Macaca mulatta]" 93.75 834 98.18 98.79 6.45e-93 REF XP_002816470 "PREDICTED: enhancer of filamentation 1-like [Pongo abelii]" 93.75 834 98.79 99.39 5.51e-94 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HR5554A Human 9606 Eukaryota Metazoa Homo sapiens 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 $HR5554A 'recombinant technology' . Escherichia coli . 'pET 14-15C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Saveframe_category sample _Sample_type solution _Details '0.56 mM [U-100% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR5554A 0.56 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_NC5 _Saveframe_category sample _Sample_type solution _Details '0.56 mM [U-5% 13C; U-100% 15N] HR5554A, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR5554A 0.56 mM '[U-5% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' 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,peak picking,chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_NC save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_NC save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_NC save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_NC save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_NC save_ save_3D_1H-13C_arom_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _Sample_label $sample_NC save_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $sample_NC save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'low salt -- 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 n/a indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' stop_ loop_ _Sample_label $sample_NC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HR5554A _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 11 11 MET HA H 4.331 0.020 1 2 11 11 MET HB2 H 1.919 0.020 2 3 11 11 MET HB3 H 2.016 0.020 2 4 11 11 MET HG2 H 2.452 0.020 2 5 11 11 MET HG3 H 2.355 0.020 2 6 11 11 MET CA C 55.849 0.400 1 7 11 11 MET CB C 32.419 0.400 1 8 11 11 MET CG C 31.803 0.400 1 9 12 12 ASP H H 8.272 0.020 1 10 12 12 ASP HA H 4.551 0.020 1 11 12 12 ASP HB2 H 2.731 0.020 2 12 12 12 ASP HB3 H 2.608 0.020 2 13 12 12 ASP CA C 54.373 0.400 1 14 12 12 ASP CB C 40.835 0.400 1 15 12 12 ASP N N 120.829 0.400 1 16 13 13 LYS H H 8.116 0.020 1 17 13 13 LYS HA H 4.247 0.020 1 18 13 13 LYS HB2 H 1.862 0.020 2 19 13 13 LYS HB3 H 1.646 0.020 2 20 13 13 LYS HG2 H 1.445 0.020 2 21 13 13 LYS HG3 H 1.372 0.020 2 22 13 13 LYS HD2 H 1.634 0.020 2 23 13 13 LYS HD3 H 1.635 0.020 2 24 13 13 LYS HE2 H 2.966 0.020 2 25 13 13 LYS HE3 H 2.966 0.020 2 26 13 13 LYS CA C 55.613 0.400 1 27 13 13 LYS CB C 32.678 0.400 1 28 13 13 LYS CG C 24.551 0.400 1 29 13 13 LYS CD C 28.723 0.400 1 30 13 13 LYS CE C 41.992 0.400 1 31 13 13 LYS N N 121.597 0.400 1 32 14 14 ARG H H 7.616 0.020 1 33 14 14 ARG HA H 3.994 0.020 1 34 14 14 ARG HB2 H 1.273 0.020 2 35 14 14 ARG HB3 H 1.483 0.020 2 36 14 14 ARG HG2 H 1.623 0.020 2 37 14 14 ARG HG3 H 1.385 0.020 2 38 14 14 ARG HD2 H 3.242 0.020 2 39 14 14 ARG HD3 H 3.078 0.020 2 40 14 14 ARG CA C 56.505 0.400 1 41 14 14 ARG CB C 31.626 0.400 1 42 14 14 ARG CG C 26.969 0.400 1 43 14 14 ARG CD C 43.543 0.400 1 44 14 14 ARG N N 118.862 0.400 1 45 15 15 LEU H H 8.324 0.020 1 46 15 15 LEU HA H 4.433 0.020 1 47 15 15 LEU HB2 H 1.304 0.020 2 48 15 15 LEU HB3 H 1.304 0.020 2 49 15 15 LEU HG H 1.284 0.020 1 50 15 15 LEU HD1 H 0.631 0.020 2 51 15 15 LEU HD2 H 0.554 0.020 2 52 15 15 LEU CA C 53.194 0.400 1 53 15 15 LEU CB C 44.158 0.400 1 54 15 15 LEU CG C 26.713 0.400 1 55 15 15 LEU CD1 C 23.890 0.400 1 56 15 15 LEU CD2 C 23.928 0.400 1 57 15 15 LEU N N 121.603 0.400 1 58 16 16 PHE H H 8.841 0.020 1 59 16 16 PHE HA H 4.894 0.020 1 60 16 16 PHE HB2 H 3.126 0.020 2 61 16 16 PHE HB3 H 2.870 0.020 2 62 16 16 PHE HD1 H 7.233 0.020 1 63 16 16 PHE HD2 H 7.233 0.020 1 64 16 16 PHE HE1 H 7.208 0.020 1 65 16 16 PHE HE2 H 7.208 0.020 1 66 16 16 PHE HZ H 7.149 0.020 1 67 16 16 PHE CA C 57.034 0.400 1 68 16 16 PHE CB C 38.010 0.400 1 69 16 16 PHE CD1 C 131.858 0.400 1 70 16 16 PHE CD2 C 131.684 0.400 1 71 16 16 PHE CE1 C 130.744 0.400 1 72 16 16 PHE CE2 C 130.988 0.400 1 73 16 16 PHE CZ C 128.916 0.400 1 74 16 16 PHE N N 126.158 0.400 1 75 17 17 LEU H H 7.516 0.020 1 76 17 17 LEU HA H 4.637 0.020 1 77 17 17 LEU HB2 H 1.415 0.020 2 78 17 17 LEU HB3 H 1.282 0.020 2 79 17 17 LEU HG H 1.542 0.020 1 80 17 17 LEU HD1 H 0.796 0.020 2 81 17 17 LEU HD2 H 0.933 0.020 2 82 17 17 LEU CA C 53.143 0.400 1 83 17 17 LEU CB C 46.861 0.400 1 84 17 17 LEU CG C 26.713 0.400 1 85 17 17 LEU CD1 C 26.015 0.400 1 86 17 17 LEU CD2 C 23.430 0.400 1 87 17 17 LEU N N 123.067 0.400 1 88 18 18 ASP H H 7.954 0.020 1 89 18 18 ASP HA H 4.884 0.020 1 90 18 18 ASP HB2 H 2.896 0.020 2 91 18 18 ASP HB3 H 2.702 0.020 2 92 18 18 ASP CA C 52.126 0.400 1 93 18 18 ASP CB C 40.298 0.400 1 94 18 18 ASP N N 118.672 0.400 1 95 19 19 PRO HA H 3.988 0.020 1 96 19 19 PRO HB2 H 2.144 0.020 2 97 19 19 PRO HB3 H 2.286 0.020 2 98 19 19 PRO HG2 H 2.299 0.020 2 99 19 19 PRO HG3 H 2.300 0.020 2 100 19 19 PRO HD2 H 3.965 0.020 2 101 19 19 PRO HD3 H 3.965 0.020 2 102 19 19 PRO CA C 66.185 0.400 1 103 19 19 PRO CB C 31.597 0.400 1 104 19 19 PRO CG C 27.961 0.400 1 105 19 19 PRO CD C 49.869 0.400 1 106 20 20 ASP H H 8.165 0.020 1 107 20 20 ASP HA H 4.357 0.020 1 108 20 20 ASP HB2 H 2.636 0.020 2 109 20 20 ASP HB3 H 2.637 0.020 2 110 20 20 ASP CA C 57.589 0.400 1 111 20 20 ASP CB C 39.872 0.400 1 112 20 20 ASP N N 115.339 0.400 1 113 21 21 THR H H 8.039 0.020 1 114 21 21 THR HA H 3.889 0.020 1 115 21 21 THR HB H 4.045 0.020 1 116 21 21 THR HG2 H 1.245 0.020 1 117 21 21 THR CA C 65.962 0.400 1 118 21 21 THR CB C 67.616 0.400 1 119 21 21 THR CG2 C 22.142 0.400 1 120 21 21 THR N N 119.137 0.400 1 121 22 22 ALA H H 8.183 0.020 1 122 22 22 ALA HA H 3.629 0.020 1 123 22 22 ALA HB H 0.401 0.020 1 124 22 22 ALA CA C 55.618 0.400 1 125 22 22 ALA CB C 16.673 0.400 1 126 22 22 ALA N N 123.775 0.400 1 127 23 23 ILE H H 8.121 0.020 1 128 23 23 ILE HA H 3.676 0.020 1 129 23 23 ILE HB H 1.947 0.020 1 130 23 23 ILE HG12 H 1.682 0.020 2 131 23 23 ILE HG13 H 1.394 0.020 2 132 23 23 ILE HG2 H 0.917 0.020 1 133 23 23 ILE HD1 H 0.909 0.020 1 134 23 23 ILE CA C 64.414 0.400 1 135 23 23 ILE CB C 37.172 0.400 1 136 23 23 ILE CG1 C 28.641 0.400 1 137 23 23 ILE CG2 C 17.303 0.400 1 138 23 23 ILE CD1 C 12.797 0.400 1 139 23 23 ILE N N 116.050 0.400 1 140 24 24 GLU H H 7.625 0.020 1 141 24 24 GLU HA H 3.986 0.020 1 142 24 24 GLU HB2 H 2.101 0.020 2 143 24 24 GLU HB3 H 2.100 0.020 2 144 24 24 GLU HG2 H 2.360 0.020 2 145 24 24 GLU HG3 H 2.191 0.020 2 146 24 24 GLU CA C 59.290 0.400 1 147 24 24 GLU CB C 29.193 0.400 1 148 24 24 GLU CG C 35.953 0.400 1 149 24 24 GLU N N 121.077 0.400 1 150 25 25 ARG H H 8.027 0.020 1 151 25 25 ARG HA H 3.805 0.020 1 152 25 25 ARG HB2 H 1.545 0.020 2 153 25 25 ARG HB3 H 1.757 0.020 2 154 25 25 ARG HG2 H 1.624 0.020 2 155 25 25 ARG HG3 H 1.432 0.020 2 156 25 25 ARG HD2 H 3.045 0.020 2 157 25 25 ARG HD3 H 3.154 0.020 2 158 25 25 ARG CA C 58.761 0.400 1 159 25 25 ARG CB C 29.297 0.400 1 160 25 25 ARG CG C 26.699 0.400 1 161 25 25 ARG CD C 43.043 0.400 1 162 25 25 ARG N N 119.119 0.400 1 163 26 26 LEU H H 8.294 0.020 1 164 26 26 LEU HA H 3.528 0.020 1 165 26 26 LEU HB2 H 1.273 0.020 2 166 26 26 LEU HB3 H 1.988 0.020 2 167 26 26 LEU HG H 1.673 0.020 1 168 26 26 LEU HD1 H 0.920 0.020 2 169 26 26 LEU HD2 H 1.173 0.020 2 170 26 26 LEU CA C 57.176 0.400 1 171 26 26 LEU CB C 40.828 0.400 1 172 26 26 LEU CG C 26.713 0.400 1 173 26 26 LEU CD1 C 22.825 0.400 1 174 26 26 LEU CD2 C 27.741 0.400 1 175 26 26 LEU N N 120.148 0.400 1 176 27 27 GLN H H 8.427 0.020 1 177 27 27 GLN HA H 3.971 0.020 1 178 27 27 GLN HB2 H 2.173 0.020 2 179 27 27 GLN HB3 H 2.099 0.020 2 180 27 27 GLN HG2 H 2.477 0.020 2 181 27 27 GLN HG3 H 2.377 0.020 2 182 27 27 GLN HE21 H 7.276 0.020 2 183 27 27 GLN HE22 H 6.783 0.020 2 184 27 27 GLN CA C 58.839 0.400 1 185 27 27 GLN CB C 27.574 0.400 1 186 27 27 GLN CG C 33.663 0.400 1 187 27 27 GLN N N 117.580 0.400 1 188 27 27 GLN NE2 N 110.441 0.400 1 189 28 28 ARG H H 7.575 0.020 1 190 28 28 ARG HA H 4.027 0.020 1 191 28 28 ARG HB2 H 1.954 0.020 2 192 28 28 ARG HB3 H 1.878 0.020 2 193 28 28 ARG HG2 H 1.803 0.020 2 194 28 28 ARG HG3 H 1.658 0.020 2 195 28 28 ARG HD2 H 3.176 0.020 2 196 28 28 ARG HD3 H 3.176 0.020 2 197 28 28 ARG CA C 59.353 0.400 1 198 28 28 ARG CB C 29.551 0.400 1 199 28 28 ARG CG C 27.428 0.400 1 200 28 28 ARG CD C 43.043 0.400 1 201 28 28 ARG N N 118.881 0.400 1 202 29 29 LEU H H 8.044 0.020 1 203 29 29 LEU HA H 4.119 0.020 1 204 29 29 LEU HB2 H 2.142 0.020 2 205 29 29 LEU HB3 H 1.486 0.020 2 206 29 29 LEU HG H 1.780 0.020 1 207 29 29 LEU HD1 H 0.647 0.020 2 208 29 29 LEU HD2 H 0.902 0.020 2 209 29 29 LEU CA C 57.491 0.400 1 210 29 29 LEU CB C 43.060 0.400 1 211 29 29 LEU CG C 26.592 0.400 1 212 29 29 LEU CD1 C 26.842 0.400 1 213 29 29 LEU CD2 C 23.053 0.400 1 214 29 29 LEU N N 121.339 0.400 1 215 30 30 GLN H H 8.939 0.020 1 216 30 30 GLN HA H 3.712 0.020 1 217 30 30 GLN HB2 H 2.140 0.020 2 218 30 30 GLN HB3 H 2.384 0.020 2 219 30 30 GLN HG2 H 2.512 0.020 2 220 30 30 GLN HG3 H 2.508 0.020 2 221 30 30 GLN HE21 H 5.647 0.020 2 222 30 30 GLN HE22 H 8.753 0.020 2 223 30 30 GLN CA C 58.357 0.400 1 224 30 30 GLN CB C 27.525 0.400 1 225 30 30 GLN CG C 31.627 0.400 1 226 30 30 GLN N N 121.951 0.400 1 227 30 30 GLN NE2 N 108.357 0.400 1 228 31 31 GLN H H 8.371 0.020 1 229 31 31 GLN HA H 3.990 0.020 1 230 31 31 GLN HB2 H 2.133 0.020 2 231 31 31 GLN HB3 H 2.052 0.020 2 232 31 31 GLN HG2 H 2.499 0.020 2 233 31 31 GLN HG3 H 2.330 0.020 2 234 31 31 GLN HE21 H 7.453 0.020 2 235 31 31 GLN HE22 H 6.793 0.020 2 236 31 31 GLN CA C 58.797 0.400 1 237 31 31 GLN CB C 28.232 0.400 1 238 31 31 GLN CG C 33.942 0.400 1 239 31 31 GLN N N 118.290 0.400 1 240 31 31 GLN NE2 N 111.461 0.400 1 241 32 32 ALA H H 8.064 0.020 1 242 32 32 ALA HA H 3.800 0.020 1 243 32 32 ALA HB H 0.842 0.020 1 244 32 32 ALA CA C 54.682 0.400 1 245 32 32 ALA CB C 16.910 0.400 1 246 32 32 ALA N N 121.514 0.400 1 247 33 33 LEU H H 7.351 0.020 1 248 33 33 LEU HA H 4.044 0.020 1 249 33 33 LEU HB2 H 1.902 0.020 2 250 33 33 LEU HB3 H 1.371 0.020 2 251 33 33 LEU HG H 1.363 0.020 1 252 33 33 LEU HD1 H 0.727 0.020 2 253 33 33 LEU HD2 H 0.393 0.020 2 254 33 33 LEU CA C 58.122 0.400 1 255 33 33 LEU CB C 42.422 0.400 1 256 33 33 LEU CG C 26.996 0.400 1 257 33 33 LEU CD1 C 23.372 0.400 1 258 33 33 LEU CD2 C 25.084 0.400 1 259 33 33 LEU N N 117.162 0.400 1 260 34 34 GLU H H 8.171 0.020 1 261 34 34 GLU HA H 3.702 0.020 1 262 34 34 GLU HB2 H 2.056 0.020 2 263 34 34 GLU HB3 H 2.232 0.020 2 264 34 34 GLU HG2 H 2.156 0.020 2 265 34 34 GLU HG3 H 2.610 0.020 2 266 34 34 GLU CA C 59.860 0.400 1 267 34 34 GLU CB C 29.251 0.400 1 268 34 34 GLU CG C 36.937 0.400 1 269 34 34 GLU N N 117.701 0.400 1 270 35 35 MET H H 8.637 0.020 1 271 35 35 MET HA H 4.259 0.020 1 272 35 35 MET HB2 H 2.177 0.020 2 273 35 35 MET HB3 H 2.177 0.020 2 274 35 35 MET HG2 H 2.745 0.020 2 275 35 35 MET HG3 H 2.575 0.020 2 276 35 35 MET HE H 2.074 0.020 1 277 35 35 MET CA C 58.260 0.400 1 278 35 35 MET CB C 31.644 0.400 1 279 35 35 MET CG C 32.013 0.400 1 280 35 35 MET CE C 16.764 0.400 1 281 35 35 MET N N 120.038 0.400 1 282 36 36 GLY H H 9.112 0.020 1 283 36 36 GLY HA2 H 3.800 0.020 2 284 36 36 GLY HA3 H 4.110 0.020 2 285 36 36 GLY CA C 46.842 0.400 1 286 36 36 GLY N N 109.193 0.400 1 287 37 37 VAL H H 8.637 0.020 1 288 37 37 VAL HA H 3.630 0.020 1 289 37 37 VAL HB H 2.189 0.020 1 290 37 37 VAL HG1 H 0.954 0.020 2 291 37 37 VAL HG2 H 1.111 0.020 2 292 37 37 VAL CA C 67.736 0.400 1 293 37 37 VAL CB C 31.158 0.400 1 294 37 37 VAL CG1 C 21.823 0.400 1 295 37 37 VAL CG2 C 23.632 0.400 1 296 37 37 VAL N N 123.481 0.400 1 297 38 38 SER H H 8.588 0.020 1 298 38 38 SER HA H 4.153 0.020 1 299 38 38 SER HB2 H 4.049 0.020 2 300 38 38 SER HB3 H 4.008 0.020 2 301 38 38 SER CA C 62.017 0.400 1 302 38 38 SER CB C 62.292 0.400 1 303 38 38 SER N N 116.609 0.400 1 304 39 39 SER H H 8.322 0.020 1 305 39 39 SER HA H 4.258 0.020 1 306 39 39 SER HB2 H 4.067 0.020 2 307 39 39 SER HB3 H 3.969 0.020 2 308 39 39 SER CA C 61.821 0.400 1 309 39 39 SER CB C 62.685 0.400 1 310 39 39 SER N N 117.634 0.400 1 311 40 40 LEU H H 7.401 0.020 1 312 40 40 LEU HA H 4.124 0.020 1 313 40 40 LEU HB2 H 2.258 0.020 2 314 40 40 LEU HB3 H 1.408 0.020 2 315 40 40 LEU HG H 1.619 0.020 1 316 40 40 LEU HD1 H 0.965 0.020 2 317 40 40 LEU HD2 H 1.161 0.020 2 318 40 40 LEU CA C 57.702 0.400 1 319 40 40 LEU CB C 41.490 0.400 1 320 40 40 LEU CG C 27.120 0.400 1 321 40 40 LEU CD1 C 22.373 0.400 1 322 40 40 LEU CD2 C 27.686 0.400 1 323 40 40 LEU N N 121.295 0.400 1 324 41 41 MET H H 8.632 0.020 1 325 41 41 MET HA H 4.261 0.020 1 326 41 41 MET HB2 H 1.994 0.020 2 327 41 41 MET HB3 H 2.113 0.020 2 328 41 41 MET HG2 H 2.774 0.020 2 329 41 41 MET HG3 H 2.865 0.020 2 330 41 41 MET HE H 1.981 0.020 1 331 41 41 MET CA C 55.700 0.400 1 332 41 41 MET CB C 29.388 0.400 1 333 41 41 MET CG C 31.546 0.400 1 334 41 41 MET CE C 16.764 0.400 1 335 41 41 MET N N 114.209 0.400 1 336 42 42 ALA H H 7.767 0.020 1 337 42 42 ALA HA H 4.090 0.020 1 338 42 42 ALA HB H 1.458 0.020 1 339 42 42 ALA CA C 53.931 0.400 1 340 42 42 ALA CB C 17.936 0.400 1 341 42 42 ALA N N 120.597 0.400 1 342 43 43 LEU H H 7.492 0.020 1 343 43 43 LEU HA H 4.131 0.020 1 344 43 43 LEU HB2 H 1.552 0.020 2 345 43 43 LEU HB3 H 2.152 0.020 2 346 43 43 LEU HG H 1.802 0.020 1 347 43 43 LEU HD1 H 0.882 0.020 2 348 43 43 LEU HD2 H 0.850 0.020 2 349 43 43 LEU CA C 54.755 0.400 1 350 43 43 LEU CB C 42.810 0.400 1 351 43 43 LEU CG C 26.713 0.400 1 352 43 43 LEU CD1 C 26.569 0.400 1 353 43 43 LEU CD2 C 22.780 0.400 1 354 43 43 LEU N N 115.503 0.400 1 355 44 44 VAL H H 7.252 0.020 1 356 44 44 VAL HA H 2.824 0.020 1 357 44 44 VAL HB H 1.789 0.020 1 358 44 44 VAL HG1 H -0.138 0.020 2 359 44 44 VAL HG2 H 0.008 0.020 2 360 44 44 VAL CA C 62.076 0.400 1 361 44 44 VAL CB C 29.465 0.400 1 362 44 44 VAL CG1 C 19.450 0.400 1 363 44 44 VAL CG2 C 19.203 0.400 1 364 44 44 VAL N N 123.300 0.400 1 365 45 45 THR H H 6.655 0.020 1 366 45 45 THR HA H 4.514 0.020 1 367 45 45 THR HB H 4.344 0.020 1 368 45 45 THR HG2 H 1.044 0.020 1 369 45 45 THR CA C 59.319 0.400 1 370 45 45 THR CB C 70.358 0.400 1 371 45 45 THR CG2 C 20.905 0.400 1 372 45 45 THR N N 116.602 0.400 1 373 46 46 THR HA H 4.012 0.020 1 374 46 46 THR HB H 4.115 0.020 1 375 46 46 THR HG2 H 1.275 0.020 1 376 46 46 THR CA C 65.184 0.400 1 377 46 46 THR CB C 68.663 0.400 1 378 46 46 THR CG2 C 21.675 0.400 1 379 48 48 TRP HD1 H 7.499 0.020 1 380 48 48 TRP HE1 H 10.435 0.020 1 381 48 48 TRP HE3 H 7.056 0.020 1 382 48 48 TRP HZ2 H 7.635 0.020 1 383 48 48 TRP HZ3 H 7.545 0.020 1 384 48 48 TRP HH2 H 7.006 0.020 1 385 48 48 TRP CD1 C 127.233 0.400 1 386 48 48 TRP CE3 C 119.773 0.400 1 387 48 48 TRP CZ2 C 114.108 0.400 1 388 48 48 TRP CZ3 C 121.773 0.400 1 389 48 48 TRP CH2 C 124.215 0.400 1 390 48 48 TRP NE1 N 131.555 0.400 1 391 51 51 TYR HA H 4.790 0.020 1 392 51 51 TYR HB2 H 2.979 0.020 2 393 51 51 TYR HB3 H 3.112 0.020 2 394 51 51 TYR HD1 H 6.955 0.020 1 395 51 51 TYR HD2 H 6.955 0.020 1 396 51 51 TYR HE1 H 6.723 0.020 1 397 51 51 TYR HE2 H 6.723 0.020 1 398 51 51 TYR CA C 62.625 0.400 1 399 51 51 TYR CB C 37.994 0.400 1 400 51 51 TYR CD1 C 132.866 0.400 1 401 51 51 TYR CD2 C 132.822 0.400 1 402 51 51 TYR CE1 C 118.213 0.400 1 403 51 51 TYR CE2 C 117.910 0.400 1 404 52 52 GLY H H 9.046 0.020 1 405 52 52 GLY HA2 H 3.830 0.020 2 406 52 52 GLY HA3 H 3.979 0.020 2 407 52 52 GLY CA C 46.842 0.400 1 408 52 52 GLY N N 104.031 0.400 1 409 53 53 TYR H H 7.618 0.020 1 410 53 53 TYR HA H 4.269 0.020 1 411 53 53 TYR HB2 H 3.030 0.020 2 412 53 53 TYR HB3 H 3.301 0.020 2 413 53 53 TYR HD1 H 7.408 0.020 1 414 53 53 TYR HD2 H 7.408 0.020 1 415 53 53 TYR HE1 H 6.841 0.020 1 416 53 53 TYR HE2 H 6.841 0.020 1 417 53 53 TYR CA C 61.551 0.400 1 418 53 53 TYR CB C 38.524 0.400 1 419 53 53 TYR CD1 C 134.308 0.400 1 420 53 53 TYR CD2 C 134.286 0.400 1 421 53 53 TYR CE1 C 119.768 0.400 1 422 53 53 TYR CE2 C 119.891 0.400 1 423 53 53 TYR N N 122.699 0.400 1 424 54 54 MET H H 8.573 0.020 1 425 54 54 MET HA H 4.151 0.020 1 426 54 54 MET HB2 H 2.084 0.020 2 427 54 54 MET HB3 H 1.719 0.020 2 428 54 54 MET HG2 H 2.594 0.020 2 429 54 54 MET HG3 H 2.892 0.020 2 430 54 54 MET HE H 1.832 0.020 1 431 54 54 MET CA C 58.787 0.400 1 432 54 54 MET CB C 32.488 0.400 1 433 54 54 MET CG C 32.569 0.400 1 434 54 54 MET CE C 16.600 0.400 1 435 54 54 MET N N 119.164 0.400 1 436 55 55 GLU H H 9.042 0.020 1 437 55 55 GLU HA H 3.698 0.020 1 438 55 55 GLU HB2 H 1.813 0.020 2 439 55 55 GLU HB3 H 1.610 0.020 2 440 55 55 GLU HG2 H 2.121 0.020 2 441 55 55 GLU HG3 H 2.120 0.020 2 442 55 55 GLU CA C 59.397 0.400 1 443 55 55 GLU CB C 28.845 0.400 1 444 55 55 GLU CG C 35.953 0.400 1 445 55 55 GLU N N 117.781 0.400 1 446 56 56 ARG H H 6.962 0.020 1 447 56 56 ARG HA H 4.051 0.020 1 448 56 56 ARG HB2 H 1.315 0.020 2 449 56 56 ARG HB3 H 1.595 0.020 2 450 56 56 ARG HG2 H 1.286 0.020 2 451 56 56 ARG HG3 H 1.110 0.020 2 452 56 56 ARG HD2 H 3.063 0.020 2 453 56 56 ARG HD3 H 3.062 0.020 2 454 56 56 ARG CA C 57.300 0.400 1 455 56 56 ARG CB C 30.470 0.400 1 456 56 56 ARG CG C 26.850 0.400 1 457 56 56 ARG CD C 43.043 0.400 1 458 56 56 ARG N N 114.902 0.400 1 459 57 57 HIS H H 7.883 0.020 1 460 57 57 HIS HA H 5.058 0.020 1 461 57 57 HIS HB2 H 2.587 0.020 2 462 57 57 HIS HB3 H 3.337 0.020 2 463 57 57 HIS CA C 56.320 0.400 1 464 57 57 HIS CB C 29.478 0.400 1 465 57 57 HIS N N 112.718 0.400 1 466 58 58 ILE H H 8.551 0.020 1 467 58 58 ILE HA H 4.148 0.020 1 468 58 58 ILE HB H 2.467 0.020 1 469 58 58 ILE HG12 H 1.496 0.020 2 470 58 58 ILE HG13 H 1.496 0.020 2 471 58 58 ILE HG2 H 1.020 0.020 1 472 58 58 ILE HD1 H 1.149 0.020 1 473 58 58 ILE CA C 63.904 0.400 1 474 58 58 ILE CB C 37.014 0.400 1 475 58 58 ILE CG1 C 28.686 0.400 1 476 58 58 ILE CG2 C 16.876 0.400 1 477 58 58 ILE CD1 C 15.124 0.400 1 478 59 59 ASN H H 8.310 0.020 1 479 59 59 ASN HA H 4.299 0.020 1 480 59 59 ASN HB2 H 2.738 0.020 2 481 59 59 ASN HB3 H 2.678 0.020 2 482 59 59 ASN HD21 H 7.632 0.020 2 483 59 59 ASN HD22 H 6.987 0.020 2 484 59 59 ASN CA C 56.117 0.400 1 485 59 59 ASN CB C 37.489 0.400 1 486 59 59 ASN N N 119.492 0.400 1 487 59 59 ASN ND2 N 113.784 0.400 1 488 60 60 GLU H H 7.809 0.020 1 489 60 60 GLU HA H 4.043 0.020 1 490 60 60 GLU HB2 H 2.175 0.020 2 491 60 60 GLU HB3 H 2.420 0.020 2 492 60 60 GLU HG2 H 2.366 0.020 2 493 60 60 GLU HG3 H 2.413 0.020 2 494 60 60 GLU CA C 59.075 0.400 1 495 60 60 GLU CB C 29.844 0.400 1 496 60 60 GLU CG C 37.074 0.400 1 497 60 60 GLU N N 121.454 0.400 1 498 61 61 ILE H H 8.448 0.020 1 499 61 61 ILE HA H 3.562 0.020 1 500 61 61 ILE HB H 2.011 0.020 1 501 61 61 ILE HG12 H 1.143 0.020 2 502 61 61 ILE HG13 H 2.129 0.020 2 503 61 61 ILE HG2 H 1.164 0.020 1 504 61 61 ILE HD1 H 1.259 0.020 1 505 61 61 ILE CA C 65.484 0.400 1 506 61 61 ILE CB C 38.637 0.400 1 507 61 61 ILE CG1 C 30.211 0.400 1 508 61 61 ILE CG2 C 17.903 0.400 1 509 61 61 ILE CD1 C 14.294 0.400 1 510 61 61 ILE N N 121.877 0.400 1 511 62 62 ARG H H 8.202 0.020 1 512 62 62 ARG HA H 2.860 0.020 1 513 62 62 ARG HB2 H 0.369 0.020 2 514 62 62 ARG HB3 H 1.158 0.020 2 515 62 62 ARG HG2 H 0.203 0.020 2 516 62 62 ARG HG3 H 0.498 0.020 2 517 62 62 ARG HD2 H 2.041 0.020 2 518 62 62 ARG HD3 H 2.372 0.020 2 519 62 62 ARG CA C 59.400 0.400 1 520 62 62 ARG CB C 29.297 0.400 1 521 62 62 ARG CG C 25.199 0.400 1 522 62 62 ARG CD C 43.470 0.400 1 523 62 62 ARG N N 119.923 0.400 1 524 63 63 THR H H 7.598 0.020 1 525 63 63 THR HA H 3.817 0.020 1 526 63 63 THR HB H 4.070 0.020 1 527 63 63 THR HG2 H 1.196 0.020 1 528 63 63 THR CA C 66.050 0.400 1 529 63 63 THR CB C 68.763 0.400 1 530 63 63 THR CG2 C 21.276 0.400 1 531 63 63 THR N N 113.014 0.400 1 532 64 64 ALA H H 7.807 0.020 1 533 64 64 ALA HA H 4.092 0.020 1 534 64 64 ALA HB H 1.447 0.020 1 535 64 64 ALA CA C 55.112 0.400 1 536 64 64 ALA CB C 18.459 0.400 1 537 64 64 ALA N N 123.481 0.400 1 538 65 65 VAL H H 8.530 0.020 1 539 65 65 VAL HA H 3.377 0.020 1 540 65 65 VAL HB H 2.129 0.020 1 541 65 65 VAL HG1 H 0.252 0.020 2 542 65 65 VAL HG2 H 0.715 0.020 2 543 65 65 VAL CA C 66.528 0.400 1 544 65 65 VAL CB C 30.925 0.400 1 545 65 65 VAL CG1 C 18.949 0.400 1 546 65 65 VAL CG2 C 23.251 0.400 1 547 65 65 VAL N N 121.704 0.400 1 548 66 66 ASP H H 8.054 0.020 1 549 66 66 ASP HA H 4.396 0.020 1 550 66 66 ASP HB2 H 2.539 0.020 2 551 66 66 ASP HB3 H 2.797 0.020 2 552 66 66 ASP CA C 57.017 0.400 1 553 66 66 ASP CB C 40.120 0.400 1 554 66 66 ASP N N 118.869 0.400 1 555 67 67 LYS H H 8.065 0.020 1 556 67 67 LYS HA H 3.599 0.020 1 557 67 67 LYS HB2 H 1.441 0.020 2 558 67 67 LYS HB3 H 1.807 0.020 2 559 67 67 LYS HG2 H 1.436 0.020 2 560 67 67 LYS HG3 H 1.198 0.020 2 561 67 67 LYS HD2 H 1.579 0.020 2 562 67 67 LYS HD3 H 1.578 0.020 2 563 67 67 LYS HE2 H 2.881 0.020 2 564 67 67 LYS HE3 H 2.882 0.020 2 565 67 67 LYS CA C 59.069 0.400 1 566 67 67 LYS CB C 31.439 0.400 1 567 67 67 LYS CG C 25.402 0.400 1 568 67 67 LYS CD C 28.723 0.400 1 569 67 67 LYS CE C 41.905 0.400 1 570 67 67 LYS N N 118.427 0.400 1 571 68 68 VAL H H 7.936 0.020 1 572 68 68 VAL HA H 3.471 0.020 1 573 68 68 VAL HB H 2.562 0.020 1 574 68 68 VAL HG1 H 0.971 0.020 2 575 68 68 VAL HG2 H 1.142 0.020 2 576 68 68 VAL CA C 68.329 0.400 1 577 68 68 VAL CB C 31.028 0.400 1 578 68 68 VAL CG1 C 21.230 0.400 1 579 68 68 VAL CG2 C 24.948 0.400 1 580 68 68 VAL N N 117.744 0.400 1 581 69 69 GLU H H 8.019 0.020 1 582 69 69 GLU HA H 3.993 0.020 1 583 69 69 GLU HB2 H 2.182 0.020 2 584 69 69 GLU HB3 H 2.437 0.020 2 585 69 69 GLU HG2 H 2.637 0.020 2 586 69 69 GLU HG3 H 2.237 0.020 2 587 69 69 GLU CA C 61.675 0.400 1 588 69 69 GLU CB C 29.570 0.400 1 589 69 69 GLU CG C 37.488 0.400 1 590 69 69 GLU N N 117.300 0.400 1 591 70 70 LEU H H 7.863 0.020 1 592 70 70 LEU HA H 4.112 0.020 1 593 70 70 LEU HB2 H 1.654 0.020 2 594 70 70 LEU HB3 H 1.613 0.020 2 595 70 70 LEU HG H 1.615 0.020 1 596 70 70 LEU HD1 H 0.919 0.020 2 597 70 70 LEU HD2 H 0.846 0.020 2 598 70 70 LEU CA C 58.143 0.400 1 599 70 70 LEU CB C 41.522 0.400 1 600 70 70 LEU CG C 26.713 0.400 1 601 70 70 LEU CD1 C 23.737 0.400 1 602 70 70 LEU CD2 C 24.947 0.400 1 603 70 70 LEU N N 120.297 0.400 1 604 71 71 PHE H H 9.024 0.020 1 605 71 71 PHE HA H 4.738 0.020 1 606 71 71 PHE HB2 H 3.110 0.020 2 607 71 71 PHE HB3 H 3.313 0.020 2 608 71 71 PHE HD1 H 7.132 0.020 1 609 71 71 PHE HD2 H 7.132 0.020 1 610 71 71 PHE HE1 H 7.279 0.020 1 611 71 71 PHE HE2 H 7.279 0.020 1 612 71 71 PHE HZ H 7.261 0.020 1 613 71 71 PHE CA C 57.482 0.400 1 614 71 71 PHE CB C 37.491 0.400 1 615 71 71 PHE CD1 C 130.806 0.400 1 616 71 71 PHE CD2 C 130.591 0.400 1 617 71 71 PHE CE1 C 130.629 0.400 1 618 71 71 PHE CE2 C 130.600 0.400 1 619 71 71 PHE CZ C 129.209 0.400 1 620 71 71 PHE N N 117.981 0.400 1 621 72 72 LEU H H 8.854 0.020 1 622 72 72 LEU HA H 4.334 0.020 1 623 72 72 LEU HB2 H 1.481 0.020 2 624 72 72 LEU HB3 H 2.252 0.020 2 625 72 72 LEU HG H 1.629 0.020 1 626 72 72 LEU HD1 H 0.996 0.020 2 627 72 72 LEU HD2 H 1.018 0.020 2 628 72 72 LEU CA C 57.381 0.400 1 629 72 72 LEU CB C 41.009 0.400 1 630 72 72 LEU CG C 27.088 0.400 1 631 72 72 LEU CD1 C 22.834 0.400 1 632 72 72 LEU CD2 C 27.756 0.400 1 633 72 72 LEU N N 122.764 0.400 1 634 73 73 LYS H H 8.589 0.020 1 635 73 73 LYS HA H 3.594 0.020 1 636 73 73 LYS HB2 H 2.120 0.020 2 637 73 73 LYS HB3 H 2.119 0.020 2 638 73 73 LYS HG2 H 1.383 0.020 2 639 73 73 LYS HG3 H 1.586 0.020 2 640 73 73 LYS HD2 H 1.840 0.020 2 641 73 73 LYS HD3 H 1.839 0.020 2 642 73 73 LYS HE2 H 3.069 0.020 2 643 73 73 LYS HE3 H 3.070 0.020 2 644 73 73 LYS CA C 60.483 0.400 1 645 73 73 LYS CB C 31.884 0.400 1 646 73 73 LYS CG C 25.080 0.400 1 647 73 73 LYS CD C 29.388 0.400 1 648 73 73 LYS CE C 41.723 0.400 1 649 73 73 LYS N N 121.950 0.400 1 650 74 74 GLU H H 8.461 0.020 1 651 74 74 GLU HA H 4.092 0.020 1 652 74 74 GLU HB2 H 2.116 0.020 2 653 74 74 GLU HB3 H 2.168 0.020 2 654 74 74 GLU HG2 H 2.302 0.020 2 655 74 74 GLU HG3 H 2.666 0.020 2 656 74 74 GLU CA C 59.604 0.400 1 657 74 74 GLU CB C 29.485 0.400 1 658 74 74 GLU CG C 37.024 0.400 1 659 74 74 GLU N N 118.492 0.400 1 660 75 75 TYR H H 8.127 0.020 1 661 75 75 TYR HA H 4.130 0.020 1 662 75 75 TYR HB2 H 2.970 0.020 2 663 75 75 TYR HB3 H 3.447 0.020 2 664 75 75 TYR HD1 H 6.707 0.020 1 665 75 75 TYR HD2 H 6.707 0.020 1 666 75 75 TYR HE1 H 6.635 0.020 1 667 75 75 TYR HE2 H 6.635 0.020 1 668 75 75 TYR HH H 7.813 0.020 1 669 75 75 TYR CA C 62.773 0.400 1 670 75 75 TYR CB C 38.871 0.400 1 671 75 75 TYR CD1 C 131.230 0.400 1 672 75 75 TYR CD2 C 131.403 0.400 1 673 75 75 TYR CE1 C 118.432 0.400 1 674 75 75 TYR CE2 C 118.457 0.400 1 675 75 75 TYR N N 121.074 0.400 1 676 76 76 LEU H H 8.897 0.020 1 677 76 76 LEU HA H 4.043 0.020 1 678 76 76 LEU HB2 H 1.861 0.020 2 679 76 76 LEU HB3 H 1.315 0.020 2 680 76 76 LEU HG H 1.689 0.020 1 681 76 76 LEU HD1 H 0.670 0.020 2 682 76 76 LEU HD2 H 0.796 0.020 2 683 76 76 LEU CA C 57.125 0.400 1 684 76 76 LEU CB C 42.003 0.400 1 685 76 76 LEU CG C 27.456 0.400 1 686 76 76 LEU CD1 C 25.636 0.400 1 687 76 76 LEU CD2 C 24.420 0.400 1 688 76 76 LEU N N 119.292 0.400 1 689 77 77 HIS H H 8.178 0.020 1 690 77 77 HIS HA H 4.169 0.020 1 691 77 77 HIS HB2 H 3.230 0.020 2 692 77 77 HIS HB3 H 3.228 0.020 2 693 77 77 HIS HD2 H 7.009 0.020 1 694 77 77 HIS HE1 H 8.049 0.020 1 695 77 77 HIS CA C 59.942 0.400 1 696 77 77 HIS CB C 30.435 0.400 1 697 77 77 HIS CD2 C 119.394 0.400 1 698 77 77 HIS CE1 C 135.938 0.400 1 699 77 77 HIS N N 117.295 0.400 1 700 78 78 PHE H H 7.344 0.020 1 701 78 78 PHE HA H 4.114 0.020 1 702 78 78 PHE HB2 H 3.075 0.020 2 703 78 78 PHE HB3 H 3.076 0.020 2 704 78 78 PHE HD1 H 7.040 0.020 1 705 78 78 PHE HD2 H 7.040 0.020 1 706 78 78 PHE HE1 H 6.939 0.020 1 707 78 78 PHE HE2 H 6.939 0.020 1 708 78 78 PHE HZ H 7.038 0.020 1 709 78 78 PHE CA C 61.254 0.400 1 710 78 78 PHE CB C 40.306 0.400 1 711 78 78 PHE CD1 C 131.804 0.400 1 712 78 78 PHE CD2 C 132.036 0.400 1 713 78 78 PHE CE1 C 129.943 0.400 1 714 78 78 PHE CE2 C 130.076 0.400 1 715 78 78 PHE CZ C 130.304 0.400 1 716 78 78 PHE N N 117.618 0.400 1 717 79 79 VAL H H 8.529 0.020 1 718 79 79 VAL HA H 3.780 0.020 1 719 79 79 VAL HB H 2.033 0.020 1 720 79 79 VAL HG1 H 0.632 0.020 2 721 79 79 VAL HG2 H 0.966 0.020 2 722 79 79 VAL CA C 66.091 0.400 1 723 79 79 VAL CB C 30.958 0.400 1 724 79 79 VAL CG1 C 21.923 0.400 1 725 79 79 VAL CG2 C 20.241 0.400 1 726 79 79 VAL N N 112.370 0.400 1 727 80 80 LYS H H 8.497 0.020 1 728 80 80 LYS HA H 3.820 0.020 1 729 80 80 LYS HB2 H 1.758 0.020 2 730 80 80 LYS HB3 H 1.755 0.020 2 731 80 80 LYS HG2 H 1.380 0.020 2 732 80 80 LYS HG3 H 1.701 0.020 2 733 80 80 LYS HD2 H 1.644 0.020 2 734 80 80 LYS HD3 H 1.645 0.020 2 735 80 80 LYS HE2 H 2.872 0.020 2 736 80 80 LYS HE3 H 2.872 0.020 2 737 80 80 LYS CA C 60.507 0.400 1 738 80 80 LYS CB C 31.574 0.400 1 739 80 80 LYS CG C 27.378 0.400 1 740 80 80 LYS CD C 29.297 0.400 1 741 80 80 LYS CE C 41.723 0.400 1 742 80 80 LYS N N 120.928 0.400 1 743 81 81 GLY H H 7.278 0.020 1 744 81 81 GLY HA2 H 3.594 0.020 2 745 81 81 GLY HA3 H 4.004 0.020 2 746 81 81 GLY CA C 46.842 0.400 1 747 81 81 GLY N N 108.564 0.400 1 748 82 82 ALA H H 7.313 0.020 1 749 82 82 ALA HA H 3.790 0.020 1 750 82 82 ALA HB H 1.390 0.020 1 751 82 82 ALA CA C 54.954 0.400 1 752 82 82 ALA CB C 17.832 0.400 1 753 82 82 ALA N N 122.934 0.400 1 754 83 83 VAL H H 8.210 0.020 1 755 83 83 VAL HA H 3.528 0.020 1 756 83 83 VAL HB H 2.116 0.020 1 757 83 83 VAL HG1 H 0.929 0.020 2 758 83 83 VAL HG2 H 1.031 0.020 2 759 83 83 VAL CA C 66.642 0.400 1 760 83 83 VAL CB C 31.001 0.400 1 761 83 83 VAL CG1 C 21.849 0.400 1 762 83 83 VAL CG2 C 23.828 0.400 1 763 83 83 VAL N N 117.798 0.400 1 764 84 84 ALA H H 7.612 0.020 1 765 84 84 ALA HA H 4.122 0.020 1 766 84 84 ALA HB H 1.392 0.020 1 767 84 84 ALA CA C 55.071 0.400 1 768 84 84 ALA CB C 17.296 0.400 1 769 84 84 ALA N N 123.017 0.400 1 770 85 85 ASN H H 7.979 0.020 1 771 85 85 ASN HA H 4.137 0.020 1 772 85 85 ASN HB2 H 2.791 0.020 2 773 85 85 ASN HB3 H 2.973 0.020 2 774 85 85 ASN HD21 H 6.307 0.020 2 775 85 85 ASN HD22 H 7.474 0.020 2 776 85 85 ASN CA C 55.476 0.400 1 777 85 85 ASN CB C 36.481 0.400 1 778 85 85 ASN N N 118.618 0.400 1 779 85 85 ASN ND2 N 107.176 0.400 1 780 86 86 ALA H H 7.935 0.020 1 781 86 86 ALA HA H 3.936 0.020 1 782 86 86 ALA HB H 1.517 0.020 1 783 86 86 ALA CA C 53.926 0.400 1 784 86 86 ALA CB C 18.299 0.400 1 785 86 86 ALA N N 122.554 0.400 1 786 87 87 ALA H H 7.802 0.020 1 787 87 87 ALA HA H 3.485 0.020 1 788 87 87 ALA HB H 1.143 0.020 1 789 87 87 ALA CA C 53.338 0.400 1 790 87 87 ALA CB C 17.436 0.400 1 791 87 87 ALA N N 120.257 0.400 1 792 88 88 CYS H H 7.143 0.020 1 793 88 88 CYS HA H 4.472 0.020 1 794 88 88 CYS HB2 H 2.880 0.020 2 795 88 88 CYS HB3 H 3.041 0.020 2 796 88 88 CYS CA C 58.091 0.400 1 797 88 88 CYS CB C 27.769 0.400 1 798 88 88 CYS N N 112.225 0.400 1 799 89 89 LEU H H 6.934 0.020 1 800 89 89 LEU HA H 4.536 0.020 1 801 89 89 LEU HB2 H 1.786 0.020 2 802 89 89 LEU HB3 H 1.912 0.020 2 803 89 89 LEU HG H 1.892 0.020 1 804 89 89 LEU HD1 H 0.985 0.020 2 805 89 89 LEU HD2 H 0.959 0.020 2 806 89 89 LEU CA C 53.333 0.400 1 807 89 89 LEU CB C 40.288 0.400 1 808 89 89 LEU CG C 26.881 0.400 1 809 89 89 LEU CD1 C 25.377 0.400 1 810 89 89 LEU CD2 C 21.959 0.400 1 811 89 89 LEU N N 121.951 0.400 1 812 90 90 PRO HA H 4.245 0.020 1 813 90 90 PRO HB2 H 2.330 0.020 2 814 90 90 PRO HB3 H 1.985 0.020 2 815 90 90 PRO HG2 H 2.123 0.020 2 816 90 90 PRO HG3 H 2.041 0.020 2 817 90 90 PRO HD2 H 3.769 0.020 2 818 90 90 PRO HD3 H 3.820 0.020 2 819 90 90 PRO CA C 64.604 0.400 1 820 90 90 PRO CB C 31.530 0.400 1 821 90 90 PRO CG C 27.656 0.400 1 822 90 90 PRO CD C 50.124 0.400 1 823 91 91 GLU H H 7.430 0.020 1 824 91 91 GLU HA H 4.611 0.020 1 825 91 91 GLU HB2 H 2.074 0.020 2 826 91 91 GLU HG2 H 2.265 0.020 2 827 91 91 GLU CA C 54.499 0.400 1 828 91 91 GLU CB C 31.530 0.400 1 829 91 91 GLU CG C 36.452 0.400 1 830 91 91 GLU N N 113.875 0.400 1 831 92 92 LEU HA H 4.677 0.020 1 832 92 92 LEU HB2 H 1.622 0.020 2 833 92 92 LEU HB3 H 1.917 0.020 2 834 92 92 LEU HG H 1.548 0.020 1 835 92 92 LEU HD1 H 0.876 0.020 2 836 92 92 LEU HD2 H 0.744 0.020 2 837 92 92 LEU CA C 55.050 0.400 1 838 92 92 LEU CB C 41.288 0.400 1 839 92 92 LEU CG C 26.713 0.400 1 840 92 92 LEU CD1 C 25.066 0.400 1 841 92 92 LEU CD2 C 22.856 0.400 1 842 93 93 ILE H H 7.207 0.020 1 843 93 93 ILE HA H 3.724 0.020 1 844 93 93 ILE HB H 1.906 0.020 1 845 93 93 ILE HG12 H 1.608 0.020 2 846 93 93 ILE HG13 H 1.264 0.020 2 847 93 93 ILE HG2 H 0.928 0.020 1 848 93 93 ILE HD1 H 0.906 0.020 1 849 93 93 ILE CA C 64.616 0.400 1 850 93 93 ILE CB C 37.514 0.400 1 851 93 93 ILE CG1 C 28.733 0.400 1 852 93 93 ILE CG2 C 17.083 0.400 1 853 93 93 ILE CD1 C 12.269 0.400 1 854 93 93 ILE N N 120.913 0.400 1 855 94 94 LEU H H 8.515 0.020 1 856 94 94 LEU HA H 4.145 0.020 1 857 94 94 LEU HB2 H 1.571 0.020 2 858 94 94 LEU HB3 H 1.936 0.020 2 859 94 94 LEU HG H 1.484 0.020 1 860 94 94 LEU HD1 H 0.795 0.020 2 861 94 94 LEU HD2 H 0.763 0.020 2 862 94 94 LEU CA C 57.846 0.400 1 863 94 94 LEU CB C 40.002 0.400 1 864 94 94 LEU CG C 26.713 0.400 1 865 94 94 LEU CD1 C 22.825 0.400 1 866 94 94 LEU CD2 C 25.013 0.400 1 867 94 94 LEU N N 122.531 0.400 1 868 95 95 HIS H H 8.748 0.020 1 869 95 95 HIS HA H 3.770 0.020 1 870 95 95 HIS HB2 H 2.995 0.020 2 871 95 95 HIS HB3 H 2.897 0.020 2 872 95 95 HIS HD2 H 7.079 0.020 1 873 95 95 HIS CA C 60.903 0.400 1 874 95 95 HIS CB C 29.554 0.400 1 875 95 95 HIS N N 118.966 0.400 1 876 96 96 ASN H H 8.612 0.020 1 877 96 96 ASN HA H 4.154 0.020 1 878 96 96 ASN HB2 H 2.789 0.020 2 879 96 96 ASN HB3 H 2.955 0.020 2 880 96 96 ASN HD21 H 7.665 0.020 2 881 96 96 ASN HD22 H 7.003 0.020 2 882 96 96 ASN CA C 55.953 0.400 1 883 96 96 ASN CB C 37.674 0.400 1 884 96 96 ASN N N 115.961 0.400 1 885 96 96 ASN ND2 N 112.154 0.400 1 886 97 97 LYS H H 7.753 0.020 1 887 97 97 LYS HA H 4.020 0.020 1 888 97 97 LYS HB2 H 1.892 0.020 2 889 97 97 LYS HB3 H 2.003 0.020 2 890 97 97 LYS HG2 H 1.429 0.020 2 891 97 97 LYS HG3 H 1.263 0.020 2 892 97 97 LYS HD2 H 1.689 0.020 2 893 97 97 LYS HD3 H 1.552 0.020 2 894 97 97 LYS HE2 H 2.964 0.020 2 895 97 97 LYS HE3 H 3.082 0.020 2 896 97 97 LYS CA C 59.359 0.400 1 897 97 97 LYS CB C 33.225 0.400 1 898 97 97 LYS CG C 24.574 0.400 1 899 97 97 LYS CD C 29.798 0.400 1 900 97 97 LYS CE C 42.492 0.400 1 901 97 97 LYS N N 122.060 0.400 1 902 98 98 MET H H 8.688 0.020 1 903 98 98 MET HA H 3.809 0.020 1 904 98 98 MET HB2 H 2.022 0.020 2 905 98 98 MET HB3 H 1.967 0.020 2 906 98 98 MET HG2 H 2.600 0.020 2 907 98 98 MET HG3 H 2.139 0.020 2 908 98 98 MET HE H 1.796 0.020 1 909 98 98 MET CA C 58.911 0.400 1 910 98 98 MET CB C 34.775 0.400 1 911 98 98 MET CG C 33.258 0.400 1 912 98 98 MET CE C 16.764 0.400 1 913 98 98 MET N N 116.767 0.400 1 914 99 99 LYS H H 8.961 0.020 1 915 99 99 LYS HA H 3.775 0.020 1 916 99 99 LYS HB2 H 1.627 0.020 2 917 99 99 LYS HB3 H 1.510 0.020 2 918 99 99 LYS HG2 H 1.230 0.020 2 919 99 99 LYS HG3 H 1.231 0.020 2 920 99 99 LYS HD2 H 1.481 0.020 2 921 99 99 LYS HD3 H 1.567 0.020 2 922 99 99 LYS HE2 H 2.920 0.020 2 923 99 99 LYS HE3 H 2.857 0.020 2 924 99 99 LYS CA C 59.446 0.400 1 925 99 99 LYS CB C 31.393 0.400 1 926 99 99 LYS CG C 24.570 0.400 1 927 99 99 LYS CD C 28.885 0.400 1 928 99 99 LYS CE C 41.533 0.400 1 929 99 99 LYS N N 118.914 0.400 1 930 100 100 ARG H H 7.308 0.020 1 931 100 100 ARG HA H 4.171 0.020 1 932 100 100 ARG HB2 H 2.008 0.020 2 933 100 100 ARG HB3 H 1.961 0.020 2 934 100 100 ARG HG2 H 1.809 0.020 2 935 100 100 ARG HG3 H 1.681 0.020 2 936 100 100 ARG HD2 H 3.259 0.020 2 937 100 100 ARG HD3 H 3.258 0.020 2 938 100 100 ARG CA C 58.843 0.400 1 939 100 100 ARG CB C 29.889 0.400 1 940 100 100 ARG CG C 27.552 0.400 1 941 100 100 ARG CD C 43.411 0.400 1 942 100 100 ARG N N 119.492 0.400 1 943 101 101 GLU H H 7.750 0.020 1 944 101 101 GLU HA H 3.932 0.020 1 945 101 101 GLU HB2 H 1.982 0.020 2 946 101 101 GLU HB3 H 1.983 0.020 2 947 101 101 GLU HG2 H 2.162 0.020 2 948 101 101 GLU HG3 H 2.579 0.020 2 949 101 101 GLU CA C 58.948 0.400 1 950 101 101 GLU CB C 29.915 0.400 1 951 101 101 GLU CG C 36.653 0.400 1 952 101 101 GLU N N 120.604 0.400 1 953 102 102 LEU H H 9.256 0.020 1 954 102 102 LEU HA H 4.092 0.020 1 955 102 102 LEU HB2 H 1.480 0.020 2 956 102 102 LEU HB3 H 2.072 0.020 2 957 102 102 LEU HG H 1.634 0.020 1 958 102 102 LEU HD1 H 0.822 0.020 2 959 102 102 LEU HD2 H 0.931 0.020 2 960 102 102 LEU CA C 57.723 0.400 1 961 102 102 LEU CB C 41.325 0.400 1 962 102 102 LEU CG C 26.799 0.400 1 963 102 102 LEU CD1 C 24.451 0.400 1 964 102 102 LEU CD2 C 27.016 0.400 1 965 102 102 LEU N N 121.350 0.400 1 966 103 103 GLN H H 8.248 0.020 1 967 103 103 GLN HA H 4.041 0.020 1 968 103 103 GLN HB2 H 2.141 0.020 2 969 103 103 GLN HB3 H 2.327 0.020 2 970 103 103 GLN HG2 H 2.497 0.020 2 971 103 103 GLN HG3 H 2.413 0.020 2 972 103 103 GLN HE21 H 6.912 0.020 2 973 103 103 GLN HE22 H 8.055 0.020 2 974 103 103 GLN CA C 58.352 0.400 1 975 103 103 GLN CB C 28.140 0.400 1 976 103 103 GLN CG C 33.370 0.400 1 977 103 103 GLN N N 119.587 0.400 1 978 103 103 GLN NE2 N 115.610 0.400 1 979 104 104 ARG H H 7.028 0.020 1 980 104 104 ARG HA H 4.212 0.020 1 981 104 104 ARG HB2 H 2.011 0.020 2 982 104 104 ARG HB3 H 1.898 0.020 2 983 104 104 ARG HG2 H 1.796 0.020 2 984 104 104 ARG HG3 H 1.701 0.020 2 985 104 104 ARG HD2 H 3.324 0.020 2 986 104 104 ARG HD3 H 3.257 0.020 2 987 104 104 ARG CA C 59.189 0.400 1 988 104 104 ARG CB C 29.943 0.400 1 989 104 104 ARG CG C 27.253 0.400 1 990 104 104 ARG CD C 43.043 0.400 1 991 104 104 ARG N N 114.315 0.400 1 992 105 105 VAL H H 7.090 0.020 1 993 105 105 VAL HA H 3.786 0.020 1 994 105 105 VAL HB H 2.362 0.020 1 995 105 105 VAL HG1 H 1.098 0.020 2 996 105 105 VAL HG2 H 1.113 0.020 2 997 105 105 VAL CA C 65.916 0.400 1 998 105 105 VAL CB C 31.616 0.400 1 999 105 105 VAL CG1 C 23.578 0.400 1 1000 105 105 VAL CG2 C 21.732 0.400 1 1001 105 105 VAL N N 116.596 0.400 1 1002 106 106 GLU H H 9.096 0.020 1 1003 106 106 GLU HA H 4.082 0.020 1 1004 106 106 GLU HB2 H 2.122 0.020 2 1005 106 106 GLU HB3 H 2.123 0.020 2 1006 106 106 GLU HG2 H 2.350 0.020 2 1007 106 106 GLU HG3 H 2.246 0.020 2 1008 106 106 GLU CA C 60.540 0.400 1 1009 106 106 GLU CB C 29.705 0.400 1 1010 106 106 GLU CG C 37.580 0.400 1 1011 106 106 GLU N N 121.787 0.400 1 1012 107 107 ASP H H 8.986 0.020 1 1013 107 107 ASP HA H 4.455 0.020 1 1014 107 107 ASP HB2 H 2.662 0.020 2 1015 107 107 ASP HB3 H 2.920 0.020 2 1016 107 107 ASP CA C 57.380 0.400 1 1017 107 107 ASP CB C 39.414 0.400 1 1018 107 107 ASP N N 121.131 0.400 1 1019 108 108 SER H H 7.555 0.020 1 1020 108 108 SER HA H 3.433 0.020 1 1021 108 108 SER HB2 H 4.091 0.020 2 1022 108 108 SER HB3 H 4.181 0.020 2 1023 108 108 SER CA C 61.963 0.400 1 1024 108 108 SER CB C 62.200 0.400 1 1025 108 108 SER N N 116.815 0.400 1 1026 109 109 HIS H H 8.841 0.020 1 1027 109 109 HIS HA H 4.061 0.020 1 1028 109 109 HIS HB2 H 3.074 0.020 2 1029 109 109 HIS HB3 H 3.481 0.020 2 1030 109 109 HIS HD2 H 6.905 0.020 1 1031 109 109 HIS CA C 60.788 0.400 1 1032 109 109 HIS CB C 30.967 0.400 1 1033 109 109 HIS CD2 C 119.323 0.400 1 1034 109 109 HIS N N 122.169 0.400 1 1035 110 110 GLN H H 8.520 0.020 1 1036 110 110 GLN HA H 3.832 0.020 1 1037 110 110 GLN HB2 H 2.273 0.020 2 1038 110 110 GLN HB3 H 2.273 0.020 2 1039 110 110 GLN HG2 H 2.574 0.020 2 1040 110 110 GLN HG3 H 2.486 0.020 2 1041 110 110 GLN HE21 H 7.605 0.020 2 1042 110 110 GLN HE22 H 6.849 0.020 2 1043 110 110 GLN CA C 59.360 0.400 1 1044 110 110 GLN CB C 27.727 0.400 1 1045 110 110 GLN CG C 33.663 0.400 1 1046 110 110 GLN N N 119.547 0.400 1 1047 110 110 GLN NE2 N 112.147 0.400 1 1048 111 111 ILE H H 7.231 0.020 1 1049 111 111 ILE HA H 3.901 0.020 1 1050 111 111 ILE HB H 1.911 0.020 1 1051 111 111 ILE HG12 H 1.798 0.020 2 1052 111 111 ILE HG13 H 1.158 0.020 2 1053 111 111 ILE HG2 H 0.894 0.020 1 1054 111 111 ILE HD1 H 0.888 0.020 1 1055 111 111 ILE CA C 64.409 0.400 1 1056 111 111 ILE CB C 38.319 0.400 1 1057 111 111 ILE CG1 C 28.366 0.400 1 1058 111 111 ILE CG2 C 17.621 0.400 1 1059 111 111 ILE CD1 C 13.118 0.400 1 1060 111 111 ILE N N 118.836 0.400 1 1061 112 112 LEU H H 8.616 0.020 1 1062 112 112 LEU HA H 3.832 0.020 1 1063 112 112 LEU HB2 H 0.886 0.020 2 1064 112 112 LEU HB3 H 1.541 0.020 2 1065 112 112 LEU HG H 1.604 0.020 1 1066 112 112 LEU HD1 H 0.462 0.020 2 1067 112 112 LEU HD2 H -0.193 0.020 2 1068 112 112 LEU CA C 57.709 0.400 1 1069 112 112 LEU CB C 38.956 0.400 1 1070 112 112 LEU CG C 25.434 0.400 1 1071 112 112 LEU CD1 C 25.498 0.400 1 1072 112 112 LEU CD2 C 22.142 0.400 1 1073 112 112 LEU N N 121.787 0.400 1 1074 113 113 SER H H 8.865 0.020 1 1075 113 113 SER HA H 4.159 0.020 1 1076 113 113 SER HB2 H 3.646 0.020 2 1077 113 113 SER HB3 H 3.647 0.020 2 1078 113 113 SER CA C 61.085 0.400 1 1079 113 113 SER CB C 62.489 0.400 1 1080 113 113 SER N N 114.301 0.400 1 1081 114 114 GLN H H 7.860 0.020 1 1082 114 114 GLN HA H 4.060 0.020 1 1083 114 114 GLN HB2 H 2.186 0.020 2 1084 114 114 GLN HB3 H 2.291 0.020 2 1085 114 114 GLN HG2 H 2.436 0.020 2 1086 114 114 GLN HG3 H 2.398 0.020 2 1087 114 114 GLN HE21 H 6.739 0.020 2 1088 114 114 GLN HE22 H 7.847 0.020 2 1089 114 114 GLN CA C 58.858 0.400 1 1090 114 114 GLN CB C 28.625 0.400 1 1091 114 114 GLN CG C 33.216 0.400 1 1092 114 114 GLN N N 122.169 0.400 1 1093 114 114 GLN NE2 N 114.691 0.400 1 1094 115 115 THR H H 8.456 0.020 1 1095 115 115 THR HA H 4.162 0.020 1 1096 115 115 THR HB H 4.348 0.020 1 1097 115 115 THR HG1 H 4.470 0.020 1 1098 115 115 THR HG2 H 1.496 0.020 1 1099 115 115 THR CA C 65.751 0.400 1 1100 115 115 THR CB C 68.782 0.400 1 1101 115 115 THR CG2 C 23.782 0.400 1 1102 115 115 THR N N 111.487 0.400 1 1103 116 116 SER H H 8.452 0.020 1 1104 116 116 SER HA H 4.125 0.020 1 1105 116 116 SER HB2 H 4.110 0.020 2 1106 116 116 SER HB3 H 4.110 0.020 2 1107 116 116 SER CA C 61.634 0.400 1 1108 116 116 SER CB C 62.635 0.400 1 1109 116 116 SER N N 115.886 0.400 1 1110 117 117 HIS H H 8.183 0.020 1 1111 117 117 HIS HA H 4.372 0.020 1 1112 117 117 HIS HB2 H 3.396 0.020 2 1113 117 117 HIS HB3 H 3.539 0.020 2 1114 117 117 HIS HD2 H 7.257 0.020 1 1115 117 117 HIS HE1 H 8.162 0.020 1 1116 117 117 HIS CA C 59.943 0.400 1 1117 117 117 HIS CB C 28.704 0.400 1 1118 117 117 HIS CD2 C 121.088 0.400 1 1119 117 117 HIS N N 121.186 0.400 1 1120 118 118 ASP H H 8.415 0.020 1 1121 118 118 ASP HA H 4.371 0.020 1 1122 118 118 ASP HB2 H 2.657 0.020 2 1123 118 118 ASP HB3 H 2.701 0.020 2 1124 118 118 ASP CA C 57.513 0.400 1 1125 118 118 ASP CB C 39.384 0.400 1 1126 118 118 ASP N N 121.868 0.400 1 1127 119 119 LEU H H 8.377 0.020 1 1128 119 119 LEU HA H 3.633 0.020 1 1129 119 119 LEU HB2 H -0.439 0.020 2 1130 119 119 LEU HB3 H 1.504 0.020 2 1131 119 119 LEU HG H 1.378 0.020 1 1132 119 119 LEU HD1 H 0.276 0.020 2 1133 119 119 LEU HD2 H 0.165 0.020 2 1134 119 119 LEU CA C 57.754 0.400 1 1135 119 119 LEU CB C 40.776 0.400 1 1136 119 119 LEU CG C 26.261 0.400 1 1137 119 119 LEU CD1 C 24.043 0.400 1 1138 119 119 LEU CD2 C 23.941 0.400 1 1139 119 119 LEU N N 124.563 0.400 1 1140 120 120 ASN H H 8.160 0.020 1 1141 120 120 ASN HA H 4.588 0.020 1 1142 120 120 ASN HB2 H 2.884 0.020 2 1143 120 120 ASN HB3 H 3.106 0.020 2 1144 120 120 ASN HD21 H 7.380 0.020 2 1145 120 120 ASN HD22 H 7.706 0.020 2 1146 120 120 ASN CA C 56.098 0.400 1 1147 120 120 ASN CB C 37.632 0.400 1 1148 120 120 ASN N N 117.963 0.400 1 1149 120 120 ASN ND2 N 114.740 0.400 1 1150 121 121 GLU H H 8.532 0.020 1 1151 121 121 GLU HA H 4.047 0.020 1 1152 121 121 GLU HB2 H 2.110 0.020 2 1153 121 121 GLU HB3 H 2.043 0.020 2 1154 121 121 GLU HG2 H 2.177 0.020 2 1155 121 121 GLU HG3 H 2.088 0.020 2 1156 121 121 GLU CA C 58.941 0.400 1 1157 121 121 GLU CB C 29.280 0.400 1 1158 121 121 GLU CG C 36.247 0.400 1 1159 121 121 GLU N N 122.395 0.400 1 1160 122 122 CYS H H 7.317 0.020 1 1161 122 122 CYS HA H 4.997 0.020 1 1162 122 122 CYS HB2 H 3.041 0.020 2 1163 122 122 CYS HB3 H 3.128 0.020 2 1164 122 122 CYS CA C 56.730 0.400 1 1165 122 122 CYS CB C 27.181 0.400 1 1166 122 122 CYS N N 113.384 0.400 1 1167 123 123 SER H H 8.269 0.020 1 1168 123 123 SER HA H 4.223 0.020 1 1169 123 123 SER HB2 H 4.211 0.020 2 1170 123 123 SER HB3 H 4.070 0.020 2 1171 123 123 SER CA C 58.860 0.400 1 1172 123 123 SER CB C 61.228 0.400 1 1173 123 123 SER N N 116.432 0.400 1 1174 124 124 TRP H H 8.373 0.020 1 1175 124 124 TRP HA H 3.269 0.020 1 1176 124 124 TRP HB2 H 3.471 0.020 2 1177 124 124 TRP HB3 H 2.983 0.020 2 1178 124 124 TRP HD1 H 6.991 0.020 1 1179 124 124 TRP HE1 H 10.220 0.020 1 1180 124 124 TRP HE3 H 7.273 0.020 1 1181 124 124 TRP HZ2 H 7.444 0.020 1 1182 124 124 TRP HZ3 H 6.794 0.020 1 1183 124 124 TRP HH2 H 6.792 0.020 1 1184 124 124 TRP CA C 58.827 0.400 1 1185 124 124 TRP CB C 24.265 0.400 1 1186 124 124 TRP CD1 C 126.248 0.400 1 1187 124 124 TRP CE3 C 93.343 0.400 1 1188 124 124 TRP CZ2 C 115.202 0.400 1 1189 124 124 TRP CZ3 C 98.613 0.400 1 1190 124 124 TRP CH2 C 123.405 0.400 1 1191 124 124 TRP N N 114.848 0.400 1 1192 124 124 TRP NE1 N 130.344 0.400 1 1193 125 125 SER H H 6.792 0.020 1 1194 125 125 SER HA H 4.320 0.020 1 1195 125 125 SER HB2 H 4.249 0.020 2 1196 125 125 SER HB3 H 3.756 0.020 2 1197 125 125 SER CA C 57.938 0.400 1 1198 125 125 SER CB C 64.126 0.400 1 1199 125 125 SER N N 108.892 0.400 1 1200 126 126 LEU HA H 4.017 0.020 1 1201 126 126 LEU HB2 H 1.573 0.020 2 1202 126 126 LEU HB3 H 2.012 0.020 2 1203 126 126 LEU HG H 1.910 0.020 1 1204 126 126 LEU HD1 H 0.886 0.020 2 1205 126 126 LEU HD2 H 0.763 0.020 2 1206 126 126 LEU CA C 57.780 0.400 1 1207 126 126 LEU CB C 41.374 0.400 1 1208 126 126 LEU CG C 27.018 0.400 1 1209 126 126 LEU CD1 C 25.058 0.400 1 1210 126 126 LEU CD2 C 23.782 0.400 1 1211 127 127 ASN HA H 4.502 0.020 1 1212 127 127 ASN HB2 H 2.778 0.020 2 1213 127 127 ASN HB3 H 2.778 0.020 2 1214 127 127 ASN HD21 H 7.036 0.020 2 1215 127 127 ASN HD22 H 7.649 0.020 2 1216 127 127 ASN CA C 56.096 0.400 1 1217 127 127 ASN CB C 37.678 0.400 1 1218 127 127 ASN ND2 N 112.882 0.400 1 1219 128 128 ILE H H 7.117 0.020 1 1220 128 128 ILE HA H 4.006 0.020 1 1221 128 128 ILE HB H 1.842 0.020 1 1222 128 128 ILE HG12 H 1.543 0.020 2 1223 128 128 ILE HG13 H 1.293 0.020 2 1224 128 128 ILE HG2 H 0.896 0.020 1 1225 128 128 ILE HD1 H 0.907 0.020 1 1226 128 128 ILE CA C 61.733 0.400 1 1227 128 128 ILE CB C 38.838 0.400 1 1228 128 128 ILE CG1 C 28.303 0.400 1 1229 128 128 ILE CG2 C 17.092 0.400 1 1230 128 128 ILE CD1 C 12.320 0.400 1 1231 128 128 ILE N N 117.470 0.400 1 1232 129 129 LEU H H 8.306 0.020 1 1233 129 129 LEU HA H 4.025 0.020 1 1234 129 129 LEU HB2 H 1.564 0.020 2 1235 129 129 LEU HB3 H 1.297 0.020 2 1236 129 129 LEU HG H 1.642 0.020 1 1237 129 129 LEU HD1 H 0.603 0.020 2 1238 129 129 LEU HD2 H 0.598 0.020 2 1239 129 129 LEU CA C 55.656 0.400 1 1240 129 129 LEU CB C 42.590 0.400 1 1241 129 129 LEU CG C 27.100 0.400 1 1242 129 129 LEU CD1 C 25.581 0.400 1 1243 129 129 LEU CD2 C 22.383 0.400 1 1244 129 129 LEU N N 115.885 0.400 1 1245 130 130 ALA H H 8.035 0.020 1 1246 130 130 ALA HA H 4.804 0.020 1 1247 130 130 ALA HB H 1.458 0.020 1 1248 130 130 ALA CA C 52.380 0.400 1 1249 130 130 ALA CB C 21.049 0.400 1 1250 130 130 ALA N N 118.845 0.400 1 1251 131 131 ILE H H 7.972 0.020 1 1252 131 131 ILE HA H 4.041 0.020 1 1253 131 131 ILE HB H 1.995 0.020 1 1254 131 131 ILE HG12 H 1.104 0.020 2 1255 131 131 ILE HG13 H 1.542 0.020 2 1256 131 131 ILE HG2 H 0.874 0.020 1 1257 131 131 ILE HD1 H 0.798 0.020 1 1258 131 131 ILE CA C 62.625 0.400 1 1259 131 131 ILE CB C 38.118 0.400 1 1260 131 131 ILE CG1 C 27.593 0.400 1 1261 131 131 ILE CG2 C 16.883 0.400 1 1262 131 131 ILE CD1 C 12.116 0.400 1 1263 131 131 ILE N N 119.496 0.400 1 1264 132 132 ASN HA H 4.804 0.020 1 1265 132 132 ASN HB2 H 2.921 0.020 2 1266 132 132 ASN HB3 H 2.714 0.020 2 1267 132 132 ASN HD21 H 6.917 0.020 2 1268 132 132 ASN HD22 H 7.502 0.020 2 1269 132 132 ASN CB C 38.092 0.400 1 1270 132 132 ASN ND2 N 113.264 0.400 1 1271 133 133 LYS H H 7.235 0.020 1 1272 133 133 LYS HA H 4.594 0.020 1 1273 133 133 LYS HB2 H 1.622 0.020 2 1274 133 133 LYS HB3 H 1.691 0.020 2 1275 133 133 LYS HG2 H 1.397 0.020 2 1276 133 133 LYS HG3 H 1.397 0.020 2 1277 133 133 LYS HD2 H 1.618 0.020 2 1278 133 133 LYS HD3 H 1.618 0.020 2 1279 133 133 LYS HE2 H 2.889 0.020 2 1280 133 133 LYS HE3 H 2.885 0.020 2 1281 133 133 LYS CA C 53.952 0.400 1 1282 133 133 LYS CB C 32.624 0.400 1 1283 133 133 LYS CG C 23.965 0.400 1 1284 133 133 LYS CD C 28.723 0.400 1 1285 133 133 LYS CE C 41.875 0.400 1 1286 133 133 LYS N N 121.867 0.400 1 1287 134 134 PRO HA H 4.428 0.020 1 1288 134 134 PRO HB2 H 1.885 0.020 2 1289 134 134 PRO HB3 H 2.343 0.020 2 1290 134 134 PRO HG2 H 2.011 0.020 2 1291 134 134 PRO HG3 H 2.079 0.020 2 1292 134 134 PRO HD2 H 3.672 0.020 2 1293 134 134 PRO HD3 H 4.003 0.020 2 1294 134 134 PRO CA C 62.702 0.400 1 1295 134 134 PRO CB C 31.891 0.400 1 1296 134 134 PRO CG C 27.212 0.400 1 1297 134 134 PRO CD C 50.854 0.400 1 1298 135 135 GLN HA H 4.222 0.020 1 1299 135 135 GLN HB2 H 2.001 0.020 2 1300 135 135 GLN HB3 H 2.112 0.020 2 1301 135 135 GLN HG2 H 2.429 0.020 2 1302 135 135 GLN HG3 H 2.429 0.020 2 1303 135 135 GLN HE21 H 6.946 0.020 2 1304 135 135 GLN HE22 H 7.575 0.020 2 1305 135 135 GLN CA C 56.357 0.400 1 1306 135 135 GLN CB C 29.161 0.400 1 1307 135 135 GLN CG C 33.639 0.400 1 1308 135 135 GLN NE2 N 112.732 0.400 1 1309 136 136 ASN HB2 H 2.902 0.020 2 1310 136 136 ASN HB3 H 2.886 0.020 2 1311 136 136 ASN HD21 H 7.640 0.020 2 1312 136 136 ASN HD22 H 6.890 0.020 2 1313 136 136 ASN ND2 N 112.571 0.400 1 1314 137 137 LYS HA H 4.327 0.020 1 1315 137 137 LYS HB2 H 1.837 0.020 2 1316 137 137 LYS HB3 H 1.827 0.020 2 1317 137 137 LYS HG2 H 1.422 0.020 2 1318 137 137 LYS HG3 H 1.412 0.020 2 1319 137 137 LYS HD2 H 1.652 0.020 2 1320 137 137 LYS HD3 H 1.652 0.020 2 1321 137 137 LYS HE2 H 2.972 0.020 2 1322 137 137 LYS HE3 H 2.972 0.020 2 1323 137 137 LYS CG C 24.853 0.400 1 1324 137 137 LYS CD C 28.723 0.400 1 1325 137 137 LYS CE C 41.723 0.400 1 1326 139 139 ASP HA H 4.439 0.020 1 1327 139 139 ASP HB2 H 2.310 0.020 2 1328 139 139 ASP HB3 H 2.448 0.020 2 1329 139 139 ASP CA C 51.722 0.400 1 1330 139 139 ASP CB C 40.884 0.400 1 1331 140 140 ASP H H 7.997 0.020 1 1332 140 140 ASP HA H 4.416 0.020 1 1333 140 140 ASP HB2 H 2.617 0.020 2 1334 140 140 ASP HB3 H 3.270 0.020 2 1335 140 140 ASP CA C 58.170 0.400 1 1336 140 140 ASP CB C 40.634 0.400 1 1337 140 140 ASP N N 116.268 0.400 1 1338 141 141 LEU H H 7.539 0.020 1 1339 141 141 LEU HA H 4.272 0.020 1 1340 141 141 LEU HB2 H 1.208 0.020 2 1341 141 141 LEU HB3 H 1.918 0.020 2 1342 141 141 LEU HG H 1.889 0.020 1 1343 141 141 LEU HD1 H 1.132 0.020 2 1344 141 141 LEU HD2 H 0.764 0.020 2 1345 141 141 LEU CA C 56.974 0.400 1 1346 141 141 LEU CB C 40.198 0.400 1 1347 141 141 LEU CG C 27.108 0.400 1 1348 141 141 LEU CD1 C 22.368 0.400 1 1349 141 141 LEU CD2 C 25.806 0.400 1 1350 141 141 LEU N N 119.656 0.400 1 1351 142 142 ASP H H 8.010 0.020 1 1352 142 142 ASP HA H 4.600 0.020 1 1353 142 142 ASP HB2 H 2.788 0.020 2 1354 142 142 ASP HB3 H 3.064 0.020 2 1355 142 142 ASP CA C 57.683 0.400 1 1356 142 142 ASP CB C 41.389 0.400 1 1357 142 142 ASP N N 118.633 0.400 1 1358 143 143 ARG H H 8.629 0.020 1 1359 143 143 ARG HA H 4.003 0.020 1 1360 143 143 ARG HB2 H 1.960 0.020 2 1361 143 143 ARG HB3 H 1.959 0.020 2 1362 143 143 ARG HG2 H 1.732 0.020 2 1363 143 143 ARG HG3 H 1.564 0.020 2 1364 143 143 ARG HD2 H 3.188 0.020 2 1365 143 143 ARG HD3 H 3.189 0.020 2 1366 143 143 ARG CA C 59.190 0.400 1 1367 143 143 ARG CB C 29.983 0.400 1 1368 143 143 ARG CG C 27.865 0.400 1 1369 143 143 ARG CD C 43.043 0.400 1 1370 143 143 ARG N N 119.656 0.400 1 1371 144 144 PHE H H 8.450 0.020 1 1372 144 144 PHE HA H 3.715 0.020 1 1373 144 144 PHE HB2 H 3.405 0.020 2 1374 144 144 PHE HB3 H 3.447 0.020 2 1375 144 144 PHE HD1 H 7.410 0.020 1 1376 144 144 PHE HD2 H 7.410 0.020 1 1377 144 144 PHE HE1 H 7.182 0.020 1 1378 144 144 PHE HE2 H 7.182 0.020 1 1379 144 144 PHE CA C 61.435 0.400 1 1380 144 144 PHE CB C 38.628 0.400 1 1381 144 144 PHE CD1 C 133.105 0.400 1 1382 144 144 PHE CD2 C 132.793 0.400 1 1383 144 144 PHE CE1 C 130.885 0.400 1 1384 144 144 PHE CE2 C 130.600 0.400 1 1385 144 144 PHE N N 119.273 0.400 1 1386 145 145 VAL H H 8.146 0.020 1 1387 145 145 VAL HA H 3.683 0.020 1 1388 145 145 VAL HB H 2.385 0.020 1 1389 145 145 VAL HG1 H 1.007 0.020 2 1390 145 145 VAL HG2 H 1.346 0.020 2 1391 145 145 VAL CA C 67.263 0.400 1 1392 145 145 VAL CB C 31.883 0.400 1 1393 145 145 VAL CG1 C 21.732 0.400 1 1394 145 145 VAL CG2 C 22.860 0.400 1 1395 145 145 VAL N N 115.600 0.400 1 1396 146 146 MET H H 8.270 0.020 1 1397 146 146 MET HA H 4.036 0.020 1 1398 146 146 MET HB2 H 2.225 0.020 2 1399 146 146 MET HB3 H 2.284 0.020 2 1400 146 146 MET HG2 H 2.684 0.020 2 1401 146 146 MET HG3 H 2.735 0.020 2 1402 146 146 MET HE H 2.131 0.020 1 1403 146 146 MET CA C 58.730 0.400 1 1404 146 146 MET CB C 32.721 0.400 1 1405 146 146 MET CG C 31.592 0.400 1 1406 146 146 MET CE C 16.764 0.400 1 1407 146 146 MET N N 118.071 0.400 1 1408 147 147 VAL H H 8.063 0.020 1 1409 147 147 VAL HA H 3.788 0.020 1 1410 147 147 VAL HB H 1.924 0.020 1 1411 147 147 VAL HG1 H 0.844 0.020 2 1412 147 147 VAL HG2 H 1.088 0.020 2 1413 147 147 VAL CA C 65.397 0.400 1 1414 147 147 VAL CB C 31.575 0.400 1 1415 147 147 VAL CG1 C 21.323 0.400 1 1416 147 147 VAL CG2 C 22.848 0.400 1 1417 147 147 VAL N N 118.382 0.400 1 1418 148 148 ALA H H 9.377 0.020 1 1419 148 148 ALA HA H 3.770 0.020 1 1420 148 148 ALA HB H 1.393 0.020 1 1421 148 148 ALA CA C 55.702 0.400 1 1422 148 148 ALA CB C 17.657 0.400 1 1423 148 148 ALA N N 124.901 0.400 1 1424 149 149 LYS H H 7.850 0.020 1 1425 149 149 LYS HA H 3.907 0.020 1 1426 149 149 LYS HB2 H 1.949 0.020 2 1427 149 149 LYS HB3 H 2.089 0.020 2 1428 149 149 LYS HG2 H 1.602 0.020 2 1429 149 149 LYS HG3 H 1.451 0.020 2 1430 149 149 LYS HD2 H 1.687 0.020 2 1431 149 149 LYS HD3 H 1.686 0.020 2 1432 149 149 LYS HE2 H 2.973 0.020 2 1433 149 149 LYS HE3 H 2.973 0.020 2 1434 149 149 LYS CA C 59.245 0.400 1 1435 149 149 LYS CB C 32.604 0.400 1 1436 149 149 LYS CG C 24.411 0.400 1 1437 149 149 LYS CD C 29.771 0.400 1 1438 149 149 LYS CE C 42.073 0.400 1 1439 149 149 LYS N N 112.225 0.400 1 1440 150 150 THR H H 7.527 0.020 1 1441 150 150 THR HA H 4.519 0.020 1 1442 150 150 THR HB H 4.525 0.020 1 1443 150 150 THR HG2 H 1.379 0.020 1 1444 150 150 THR CA C 61.928 0.400 1 1445 150 150 THR CB C 70.304 0.400 1 1446 150 150 THR CG2 C 21.563 0.400 1 1447 150 150 THR N N 106.930 0.400 1 1448 151 151 VAL H H 7.603 0.020 1 1449 151 151 VAL HA H 4.293 0.020 1 1450 151 151 VAL HB H 2.432 0.020 1 1451 151 151 VAL HG1 H 0.963 0.020 2 1452 151 151 VAL HG2 H 1.156 0.020 2 1453 151 151 VAL CA C 66.403 0.400 1 1454 151 151 VAL CB C 29.811 0.400 1 1455 151 151 VAL CG1 C 22.647 0.400 1 1456 151 151 VAL CG2 C 24.108 0.400 1 1457 151 151 VAL N N 121.951 0.400 1 1458 152 152 PRO HA H 3.903 0.020 1 1459 152 152 PRO HB2 H 2.043 0.020 2 1460 152 152 PRO HB3 H 2.178 0.020 2 1461 152 152 PRO HG2 H 2.340 0.020 2 1462 152 152 PRO HG3 H 1.530 0.020 2 1463 152 152 PRO HD2 H 4.101 0.020 2 1464 152 152 PRO HD3 H 3.700 0.020 2 1465 152 152 PRO CA C 67.145 0.400 1 1466 152 152 PRO CB C 31.008 0.400 1 1467 152 152 PRO CG C 29.378 0.400 1 1468 152 152 PRO CD C 50.120 0.400 1 1469 153 153 ASP H H 7.977 0.020 1 1470 153 153 ASP HA H 4.479 0.020 1 1471 153 153 ASP HB2 H 2.670 0.020 2 1472 153 153 ASP HB3 H 2.748 0.020 2 1473 153 153 ASP CA C 56.864 0.400 1 1474 153 153 ASP CB C 40.147 0.400 1 1475 153 153 ASP N N 115.695 0.400 1 1476 154 154 ASP H H 7.409 0.020 1 1477 154 154 ASP HA H 4.639 0.020 1 1478 154 154 ASP HB2 H 2.678 0.020 2 1479 154 154 ASP HB3 H 2.547 0.020 2 1480 154 154 ASP CA C 57.255 0.400 1 1481 154 154 ASP CB C 39.831 0.400 1 1482 154 154 ASP N N 121.928 0.400 1 1483 155 155 ALA H H 8.938 0.020 1 1484 155 155 ALA HA H 4.169 0.020 1 1485 155 155 ALA HB H 1.023 0.020 1 1486 155 155 ALA CA C 54.663 0.400 1 1487 155 155 ALA CB C 17.696 0.400 1 1488 155 155 ALA N N 124.913 0.400 1 1489 156 156 LYS H H 8.614 0.020 1 1490 156 156 LYS HA H 3.678 0.020 1 1491 156 156 LYS HB2 H 2.019 0.020 2 1492 156 156 LYS HB3 H 2.019 0.020 2 1493 156 156 LYS HG2 H 1.433 0.020 2 1494 156 156 LYS HG3 H 1.432 0.020 2 1495 156 156 LYS HD2 H 1.690 0.020 2 1496 156 156 LYS HD3 H 1.690 0.020 2 1497 156 156 LYS HE2 H 2.915 0.020 2 1498 156 156 LYS HE3 H 2.915 0.020 2 1499 156 156 LYS CA C 59.487 0.400 1 1500 156 156 LYS CB C 31.985 0.400 1 1501 156 156 LYS CG C 24.853 0.400 1 1502 156 156 LYS CD C 28.803 0.400 1 1503 156 156 LYS CE C 41.723 0.400 1 1504 156 156 LYS N N 117.402 0.400 1 1505 157 157 GLN H H 7.354 0.020 1 1506 157 157 GLN HA H 4.047 0.020 1 1507 157 157 GLN HB2 H 2.205 0.020 2 1508 157 157 GLN HB3 H 2.154 0.020 2 1509 157 157 GLN HG2 H 2.551 0.020 2 1510 157 157 GLN HG3 H 2.366 0.020 2 1511 157 157 GLN HE21 H 7.698 0.020 2 1512 157 157 GLN HE22 H 6.773 0.020 2 1513 157 157 GLN CA C 58.897 0.400 1 1514 157 157 GLN CB C 27.741 0.400 1 1515 157 157 GLN CG C 32.721 0.400 1 1516 157 157 GLN N N 118.244 0.400 1 1517 157 157 GLN NE2 N 113.411 0.400 1 1518 158 158 LEU H H 6.815 0.020 1 1519 158 158 LEU HA H 4.668 0.020 1 1520 158 158 LEU HB2 H 2.481 0.020 2 1521 158 158 LEU HB3 H 1.334 0.020 2 1522 158 158 LEU HG H 1.724 0.020 1 1523 158 158 LEU HD1 H 1.115 0.020 2 1524 158 158 LEU HD2 H 1.000 0.020 2 1525 158 158 LEU CA C 56.864 0.400 1 1526 158 158 LEU CB C 40.786 0.400 1 1527 158 158 LEU CG C 27.370 0.400 1 1528 158 158 LEU CD1 C 22.178 0.400 1 1529 158 158 LEU CD2 C 27.135 0.400 1 1530 158 158 LEU N N 120.749 0.400 1 1531 159 159 THR H H 9.765 0.020 1 1532 159 159 THR HA H 3.920 0.020 1 1533 159 159 THR HB H 4.306 0.020 1 1534 159 159 THR HG1 H 6.354 0.020 1 1535 159 159 THR HG2 H 1.164 0.020 1 1536 159 159 THR CA C 65.954 0.400 1 1537 159 159 THR CB C 68.261 0.400 1 1538 159 159 THR CG2 C 22.470 0.400 1 1539 159 159 THR N N 118.399 0.400 1 1540 160 160 THR H H 8.416 0.020 1 1541 160 160 THR HA H 4.000 0.020 1 1542 160 160 THR HB H 4.505 0.020 1 1543 160 160 THR HG2 H 1.261 0.020 1 1544 160 160 THR CA C 67.301 0.400 1 1545 160 160 THR CB C 67.966 0.400 1 1546 160 160 THR CG2 C 20.939 0.400 1 1547 160 160 THR N N 118.235 0.400 1 1548 161 161 THR H H 8.527 0.020 1 1549 161 161 THR HA H 3.791 0.020 1 1550 161 161 THR HB H 4.794 0.020 1 1551 161 161 THR HG2 H 1.113 0.020 1 1552 161 161 THR CA C 65.924 0.400 1 1553 161 161 THR CB C 68.727 0.400 1 1554 161 161 THR CG2 C 21.901 0.400 1 1555 161 161 THR N N 124.184 0.400 1 1556 162 162 ILE H H 8.545 0.020 1 1557 162 162 ILE HA H 3.457 0.020 1 1558 162 162 ILE HB H 1.975 0.020 1 1559 162 162 ILE HG12 H 0.688 0.020 2 1560 162 162 ILE HG13 H 1.976 0.020 2 1561 162 162 ILE HG2 H 1.056 0.020 1 1562 162 162 ILE HD1 H 0.904 0.020 1 1563 162 162 ILE CA C 65.863 0.400 1 1564 162 162 ILE CB C 36.979 0.400 1 1565 162 162 ILE CG1 C 30.765 0.400 1 1566 162 162 ILE CG2 C 17.978 0.400 1 1567 162 162 ILE CD1 C 14.797 0.400 1 1568 162 162 ILE N N 122.048 0.400 1 1569 163 163 ASN H H 8.916 0.020 1 1570 163 163 ASN HA H 4.357 0.020 1 1571 163 163 ASN HB2 H 2.946 0.020 2 1572 163 163 ASN HB3 H 2.872 0.020 2 1573 163 163 ASN HD21 H 7.355 0.020 2 1574 163 163 ASN HD22 H 6.328 0.020 2 1575 163 163 ASN CA C 56.609 0.400 1 1576 163 163 ASN CB C 38.537 0.400 1 1577 163 163 ASN N N 117.580 0.400 1 1578 163 163 ASN ND2 N 107.539 0.400 1 1579 164 164 THR H H 8.555 0.020 1 1580 164 164 THR HA H 4.139 0.020 1 1581 164 164 THR HB H 4.329 0.020 1 1582 164 164 THR HG2 H 1.342 0.020 1 1583 164 164 THR CA C 64.768 0.400 1 1584 164 164 THR CB C 69.373 0.400 1 1585 164 164 THR CG2 C 21.383 0.400 1 1586 164 164 THR N N 112.225 0.400 1 1587 165 165 ASN H H 7.485 0.020 1 1588 165 165 ASN HA H 5.176 0.020 1 1589 165 165 ASN HB2 H 2.911 0.020 2 1590 165 165 ASN HB3 H 2.443 0.020 2 1591 165 165 ASN HD21 H 7.334 0.020 2 1592 165 165 ASN HD22 H 8.589 0.020 2 1593 165 165 ASN CA C 53.000 0.400 1 1594 165 165 ASN CB C 40.223 0.400 1 1595 165 165 ASN N N 118.399 0.400 1 1596 165 165 ASN ND2 N 119.781 0.400 1 1597 166 166 ALA H H 7.327 0.020 1 1598 166 166 ALA HA H 4.105 0.020 1 1599 166 166 ALA HB H 1.773 0.020 1 1600 166 166 ALA CA C 56.626 0.400 1 1601 166 166 ALA CB C 19.407 0.400 1 1602 166 166 ALA N N 123.140 0.400 1 1603 167 167 GLU H H 8.668 0.020 1 1604 167 167 GLU HA H 4.032 0.020 1 1605 167 167 GLU HB2 H 2.083 0.020 2 1606 167 167 GLU HB3 H 2.083 0.020 2 1607 167 167 GLU HG2 H 2.323 0.020 2 1608 167 167 GLU HG3 H 2.399 0.020 2 1609 167 167 GLU CA C 59.187 0.400 1 1610 167 167 GLU CB C 28.893 0.400 1 1611 167 167 GLU CG C 36.618 0.400 1 1612 167 167 GLU N N 115.339 0.400 1 1613 168 168 ALA H H 7.674 0.020 1 1614 168 168 ALA HA H 4.222 0.020 1 1615 168 168 ALA HB H 1.417 0.020 1 1616 168 168 ALA CA C 53.175 0.400 1 1617 168 168 ALA CB C 18.632 0.400 1 1618 168 168 ALA N N 118.946 0.400 1 1619 169 169 LEU H H 7.492 0.020 1 1620 169 169 LEU HA H 3.775 0.020 1 1621 169 169 LEU HB2 H 0.271 0.020 2 1622 169 169 LEU HB3 H 1.316 0.020 2 1623 169 169 LEU HG H 1.609 0.020 1 1624 169 169 LEU HD1 H 0.780 0.020 2 1625 169 169 LEU HD2 H 0.686 0.020 2 1626 169 169 LEU CA C 56.165 0.400 1 1627 169 169 LEU CB C 44.220 0.400 1 1628 169 169 LEU CG C 26.386 0.400 1 1629 169 169 LEU CD1 C 27.243 0.400 1 1630 169 169 LEU CD2 C 22.671 0.400 1 1631 169 169 LEU N N 113.288 0.400 1 1632 170 170 PHE H H 7.914 0.020 1 1633 170 170 PHE HA H 4.923 0.020 1 1634 170 170 PHE HB2 H 2.649 0.020 2 1635 170 170 PHE HB3 H 3.550 0.020 2 1636 170 170 PHE HD1 H 7.404 0.020 1 1637 170 170 PHE HD2 H 7.404 0.020 1 1638 170 170 PHE HE1 H 6.937 0.020 1 1639 170 170 PHE HE2 H 6.937 0.020 1 1640 170 170 PHE HZ H 6.816 0.020 1 1641 170 170 PHE CA C 57.531 0.400 1 1642 170 170 PHE CB C 38.665 0.400 1 1643 170 170 PHE CD1 C 132.636 0.400 1 1644 170 170 PHE CD2 C 132.653 0.400 1 1645 170 170 PHE CE1 C 130.151 0.400 1 1646 170 170 PHE CE2 C 130.292 0.400 1 1647 170 170 PHE CZ C 127.409 0.400 1 1648 170 170 PHE N N 116.157 0.400 1 1649 171 171 ARG H H 7.942 0.020 1 1650 171 171 ARG HA H 4.774 0.020 1 1651 171 171 ARG HB2 H 2.018 0.020 2 1652 171 171 ARG HB3 H 1.847 0.020 2 1653 171 171 ARG HG2 H 1.738 0.020 2 1654 171 171 ARG HG3 H 1.738 0.020 2 1655 171 171 ARG HD2 H 3.269 0.020 2 1656 171 171 ARG HD3 H 3.269 0.020 2 1657 171 171 ARG CA C 53.308 0.400 1 1658 171 171 ARG CB C 30.249 0.400 1 1659 171 171 ARG CG C 26.256 0.400 1 1660 171 171 ARG CD C 43.043 0.400 1 1661 171 171 ARG N N 120.937 0.400 1 1662 172 172 PRO HA H 4.361 0.020 1 1663 172 172 PRO HB2 H 2.277 0.020 2 1664 172 172 PRO HB3 H 2.001 0.020 2 1665 172 172 PRO HG2 H 2.013 0.020 2 1666 172 172 PRO HG3 H 2.075 0.020 2 1667 172 172 PRO HD2 H 3.712 0.020 2 1668 172 172 PRO HD3 H 3.790 0.020 2 1669 172 172 PRO CA C 63.059 0.400 1 1670 172 172 PRO CB C 31.943 0.400 1 1671 172 172 PRO CG C 27.356 0.400 1 1672 172 172 PRO CD C 50.659 0.400 1 1673 173 173 GLY H H 8.193 0.020 1 1674 173 173 GLY HA2 H 3.844 0.020 2 1675 173 173 GLY HA3 H 4.042 0.020 2 1676 173 173 GLY CA C 44.108 0.400 1 1677 173 173 GLY N N 108.229 0.400 1 1678 174 174 PRO HA H 4.371 0.020 1 1679 174 174 PRO HB2 H 1.972 0.020 2 1680 174 174 PRO HB3 H 2.201 0.020 2 1681 174 174 PRO HG2 H 1.965 0.020 2 1682 174 174 PRO HG3 H 1.933 0.020 2 1683 174 174 PRO HD2 H 3.350 0.020 2 1684 174 174 PRO HD3 H 3.499 0.020 2 1685 174 174 PRO CA C 63.101 0.400 1 1686 174 174 PRO CB C 31.855 0.400 1 1687 174 174 PRO CG C 26.654 0.400 1 1688 174 174 PRO CD C 49.468 0.400 1 1689 175 175 GLY H H 8.513 0.020 1 1690 175 175 GLY HA2 H 3.950 0.020 2 1691 175 175 GLY HA3 H 3.950 0.020 2 1692 175 175 GLY CA C 45.202 0.400 1 1693 175 175 GLY N N 109.916 0.400 1 1694 176 176 SER H H 7.820 0.020 1 1695 176 176 SER HA H 4.273 0.020 1 1696 176 176 SER HB2 H 3.854 0.020 2 1697 176 176 SER HB3 H 4.266 0.020 2 1698 176 176 SER CA C 59.825 0.400 1 1699 176 176 SER CB C 64.614 0.400 1 1700 176 176 SER N N 121.093 0.400 1 stop_ save_