data_18156 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the mitochondrial inner membrane domain (residues 164-251), FtsH_ext, from the paraplegin-like protein AFGL32 from Homo sapiens, Northeast Structural Genomics Consortium Target HR6741A ; _BMRB_accession_number 18156 _BMRB_flat_file_name bmr18156.str _Entry_type original _Submission_date 2011-12-20 _Accession_date 2011-12-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Yang Yunhuang . . 3 Lee Hsiau-Wei . . 4 Janua Haleema . . 5 Kohan Eitan . . 6 Shastry Ritu . . 7 Acton Thomas B. . 8 Xiao Rong . . 9 Everett John K. . 10 Prestegard James H. . 11 Montelione Gaetano T. . 12 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 555 "13C chemical shifts" 420 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-06 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Northeast Structural Genomics Consortium Target HR6741A' _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 Ramelot Theresa A. . 2 Yang Yunhuang . . 3 Lee Hsiau-Wei . . 4 Janua Haleema . . 5 Kohan Eitan . . 6 Shastry Ritu . . 7 Acton Thomas B. . 8 Xiao Rong . . 9 Everett John K. . 10 Prestegard James H. . 11 Montelione Gaetano T. . 12 Kennedy Michael A. . 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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HR6741A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR6741A $HR6741A 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_HR6741A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR6741A _Molecular_mass 11999.1 _Mol_thiol_state 'not present' loop_ _Biological_function paraplegin-like 'ATP-dependent integral membrane protease' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; MGHHHHHHSHMKRSGREITW KDFVNNYLSKGVVDRLEVVN KRFVRVTFTPGKTPVDGQYV WFNIGSVDTFERNLETLQQE LGIEGENRVPVVYIAESDG ; 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 LYS 13 ARG 14 SER 15 GLY 16 ARG 17 GLU 18 ILE 19 THR 20 TRP 21 LYS 22 ASP 23 PHE 24 VAL 25 ASN 26 ASN 27 TYR 28 LEU 29 SER 30 LYS 31 GLY 32 VAL 33 VAL 34 ASP 35 ARG 36 LEU 37 GLU 38 VAL 39 VAL 40 ASN 41 LYS 42 ARG 43 PHE 44 VAL 45 ARG 46 VAL 47 THR 48 PHE 49 THR 50 PRO 51 GLY 52 LYS 53 THR 54 PRO 55 VAL 56 ASP 57 GLY 58 GLN 59 TYR 60 VAL 61 TRP 62 PHE 63 ASN 64 ILE 65 GLY 66 SER 67 VAL 68 ASP 69 THR 70 PHE 71 GLU 72 ARG 73 ASN 74 LEU 75 GLU 76 THR 77 LEU 78 GLN 79 GLN 80 GLU 81 LEU 82 GLY 83 ILE 84 GLU 85 GLY 86 GLU 87 ASN 88 ARG 89 VAL 90 PRO 91 VAL 92 VAL 93 TYR 94 ILE 95 ALA 96 GLU 97 SER 98 ASP 99 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2012-03-24 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 2LNA "Solution Nmr Structure Of The Mitochondrial Inner Membrane Domain (Residues 164-251), Ftsh_ext, From The Paraplegin-Like Protei" 100.00 99 100.00 100.00 2.53e-66 DBJ BAE29204 "unnamed protein product [Mus musculus]" 88.89 795 98.86 98.86 6.78e-54 DBJ BAE30959 "unnamed protein product [Mus musculus]" 88.89 802 97.73 97.73 3.88e-53 DBJ BAE31449 "unnamed protein product [Mus musculus]" 88.89 802 97.73 97.73 3.88e-53 EMBL CAB48398 "paraplegin-like protein [Homo sapiens]" 89.90 797 98.88 100.00 6.08e-55 GB AAH24282 "Similar to AFG3 ATPase family gene 3-like 2 (yeast), partial [Homo sapiens]" 89.90 812 98.88 100.00 6.07e-55 GB AAH36999 "AFG3(ATPase family gene 3)-like 2 (yeast) [Mus musculus]" 88.89 802 98.86 98.86 8.77e-54 GB AAH43056 "AFG3(ATPase family gene 3)-like 2 (yeast) [Mus musculus]" 88.89 802 98.86 98.86 8.77e-54 GB AAH65016 "AFG3 ATPase family gene 3-like 2 (yeast) [Homo sapiens]" 89.90 797 98.88 100.00 6.78e-55 GB AAI05323 "AFG3 ATPase family gene 3-like 2 (yeast) [Bos taurus]" 88.89 805 97.73 97.73 2.13e-53 REF NP_001039676 "AFG3-like protein 2 [Bos taurus]" 88.89 805 97.73 97.73 2.13e-53 REF NP_001128336 "AFG3-like protein 2 [Rattus norvegicus]" 88.89 802 98.86 98.86 8.77e-54 REF NP_006787 "AFG3-like protein 2 [Homo sapiens]" 89.90 797 98.88 100.00 6.78e-55 REF NP_081406 "AFG3-like protein 2 [Mus musculus]" 88.89 802 98.86 98.86 8.77e-54 REF XP_001094146 "PREDICTED: AFG3 ATPase family gene 3-like 2 isoform 2 [Macaca mulatta]" 89.90 798 98.88 100.00 1.25e-54 SP Q2KJI7 "RecName: Full=AFG3-like protein 2" 88.89 805 97.73 97.73 2.13e-53 SP Q8JZQ2 "RecName: Full=AFG3-like protein 2" 88.89 802 98.86 98.86 8.77e-54 SP Q9Y4W6 "RecName: Full=AFG3-like protein 2; AltName: Full=Paraplegin-like protein" 89.90 797 98.88 100.00 6.78e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $HR6741A Human 9606 Eukaryota Metazoa Homo sapiens AFG3L2 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 $HR6741A 'recombinant technology' . Escherichia coli BL21(DE3)pMgK pET15_NESG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_HR6741.001 _Saveframe_category sample _Sample_type solution _Details '0.7 mM [U-100% 13C; U-100% 15N] HR6741A, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR6741A 0.7 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 200 mM 'natural abundance' MES 20 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 10 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_HR6741.002 _Saveframe_category sample _Sample_type solution _Details '1.0 mM NC5 HR6741A, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR6741A 1.0 mM NC5 'sodium chloride' 200 mM 'natural abundance' MES 20 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 10 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_HR6741.001_D2O _Saveframe_category sample _Sample_type solution _Details '0.7 mM [U-100% 13C; U-100% 15N] HR6741A, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR6741A 0.7 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 200 mM 'natural abundance' MES 20 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 10 uM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinement,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_NMRPipe _Saveframe_category software _Name NMRPipe _Version '2008 linux9' loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version '2.1.4 and 3.1' 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_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version 1.2009.0721.18 loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PALES _Saveframe_category software _Name PALES _Version 2000 loop_ _Vendor _Address _Electronic_address 'PALES (Zweckstetter, Bax)' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details pales-linux save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.25 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure determination' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details 'at MU' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'at MU' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details 'at MU' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $HR6741.001 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $HR6741.001 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $HR6741.001 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $HR6741.001 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $HR6741.001 save_ save_3D_1H-13C_arom_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _Sample_label $HR6741.001 save_ save_3D_1H-13C_NOESYaliph_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESYaliph' _Sample_label $HR6741.001 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $HR6741.001 save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $HR6741.002 save_ save_2D_1H-15N_hetNOE_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N hetNOE' _Sample_label $HR6741.002 save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $HR6741.001 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $HR6741.001 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $HR6741.001 save_ save_3D_H(CCO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $HR6741.001 save_ save_3D_C(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $HR6741.001 save_ save_3D_HBHA(CO)NH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $HR6741.001 save_ save_4D_CC-HMQC-NOESY-HMQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-HMQC-NOESY-HMQC' _Sample_label $HR6741.001_D2O save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $HR6741.001_D2O save_ save_3D_CCH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $HR6741.001_D2O save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . 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 na indirect . . . 0.251449530 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' '3D 1H-13C arom NOESY' '3D 1H-13C NOESYaliph' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $HR6741.001 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HR6741A _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 2 2 GLY HA2 H 3.80 0.02 2 2 2 2 GLY HA3 H 3.80 0.02 2 3 2 2 GLY CA C 43.5 0.2 1 4 10 10 HIS HA H 4.59 0.02 1 5 10 10 HIS HB2 H 3.10 0.02 2 6 10 10 HIS HB3 H 3.10 0.02 2 7 10 10 HIS C C 175.5 0.2 1 8 10 10 HIS CA C 56.5 0.2 1 9 10 10 HIS CB C 30.2 0.2 1 10 11 11 MET H H 8.21 0.02 1 11 11 11 MET HA H 4.29 0.02 1 12 11 11 MET HB2 H 1.85 0.02 2 13 11 11 MET HB3 H 1.85 0.02 2 14 11 11 MET HG2 H 2.33 0.02 2 15 11 11 MET HG3 H 2.33 0.02 2 16 11 11 MET C C 176.3 0.2 1 17 11 11 MET CA C 55.9 0.2 1 18 11 11 MET CB C 32.7 0.2 1 19 11 11 MET CG C 31.9 0.2 1 20 11 11 MET N N 120.9 0.2 1 21 12 12 LYS H H 8.30 0.02 1 22 12 12 LYS HA H 4.13 0.02 1 23 12 12 LYS HB2 H 1.66 0.02 2 24 12 12 LYS HB3 H 1.66 0.02 2 25 12 12 LYS HG2 H 1.15 0.02 2 26 12 12 LYS HG3 H 1.23 0.02 2 27 12 12 LYS HD2 H 1.46 0.02 2 28 12 12 LYS HD3 H 1.46 0.02 2 29 12 12 LYS HE2 H 2.70 0.02 2 30 12 12 LYS HE3 H 2.70 0.02 2 31 12 12 LYS C C 176.7 0.2 1 32 12 12 LYS CA C 56.8 0.2 1 33 12 12 LYS CB C 32.8 0.2 1 34 12 12 LYS CG C 24.7 0.2 1 35 12 12 LYS CD C 29.2 0.2 1 36 12 12 LYS CE C 41.9 0.2 1 37 12 12 LYS N N 122.1 0.2 1 38 13 13 ARG H H 8.16 0.02 1 39 13 13 ARG HA H 4.27 0.02 1 40 13 13 ARG HB2 H 1.63 0.02 2 41 13 13 ARG HB3 H 1.63 0.02 2 42 13 13 ARG HG2 H 1.36 0.02 2 43 13 13 ARG HG3 H 1.44 0.02 2 44 13 13 ARG HD2 H 2.60 0.02 2 45 13 13 ARG HD3 H 2.66 0.02 2 46 13 13 ARG C C 176.2 0.2 1 47 13 13 ARG CA C 56.2 0.2 1 48 13 13 ARG CB C 30.8 0.2 1 49 13 13 ARG CG C 27.0 0.2 1 50 13 13 ARG CD C 43.0 0.2 1 51 13 13 ARG N N 121.5 0.2 1 52 14 14 SER H H 8.16 0.02 1 53 14 14 SER HA H 4.53 0.02 1 54 14 14 SER HB2 H 3.86 0.02 2 55 14 14 SER HB3 H 3.86 0.02 2 56 14 14 SER C C 173.6 0.2 1 57 14 14 SER CA C 58.3 0.2 1 58 14 14 SER CB C 64.1 0.2 1 59 14 14 SER N N 116.7 0.2 1 60 15 15 GLY H H 8.10 0.02 1 61 15 15 GLY HA2 H 3.57 0.02 2 62 15 15 GLY HA3 H 4.09 0.02 2 63 15 15 GLY C C 173.0 0.2 1 64 15 15 GLY CA C 44.7 0.2 1 65 15 15 GLY N N 109.3 0.2 1 66 16 16 ARG H H 8.46 0.02 1 67 16 16 ARG HA H 4.53 0.02 1 68 16 16 ARG HB2 H 1.71 0.02 2 69 16 16 ARG HB3 H 1.82 0.02 2 70 16 16 ARG HG2 H 1.50 0.02 2 71 16 16 ARG HG3 H 1.57 0.02 2 72 16 16 ARG HD2 H 3.20 0.02 2 73 16 16 ARG HD3 H 3.20 0.02 2 74 16 16 ARG HE H 7.29 0.02 1 75 16 16 ARG C C 173.2 0.2 1 76 16 16 ARG CA C 55.3 0.2 1 77 16 16 ARG CB C 32.9 0.2 1 78 16 16 ARG CG C 27.4 0.2 1 79 16 16 ARG CD C 43.5 0.2 1 80 16 16 ARG N N 122.3 0.2 1 81 16 16 ARG NE N 84.9 0.2 1 82 17 17 GLU H H 8.19 0.02 1 83 17 17 GLU HA H 3.22 0.02 1 84 17 17 GLU HB2 H 1.21 0.02 2 85 17 17 GLU HB3 H 1.48 0.02 2 86 17 17 GLU HG2 H 0.69 0.02 2 87 17 17 GLU HG3 H 1.70 0.02 2 88 17 17 GLU C C 177.0 0.2 1 89 17 17 GLU CA C 55.0 0.2 1 90 17 17 GLU CB C 30.1 0.2 1 91 17 17 GLU CG C 35.1 0.2 1 92 17 17 GLU N N 126.8 0.2 1 93 18 18 ILE H H 8.87 0.02 1 94 18 18 ILE HA H 4.96 0.02 1 95 18 18 ILE HB H 2.29 0.02 1 96 18 18 ILE HG12 H 1.06 0.02 2 97 18 18 ILE HG13 H 1.44 0.02 2 98 18 18 ILE HG2 H 0.97 0.02 1 99 18 18 ILE HD1 H 0.88 0.02 1 100 18 18 ILE C C 174.6 0.2 1 101 18 18 ILE CA C 59.2 0.2 1 102 18 18 ILE CB C 41.9 0.2 1 103 18 18 ILE CG1 C 25.4 0.2 1 104 18 18 ILE CG2 C 17.5 0.2 1 105 18 18 ILE CD1 C 15.4 0.2 1 106 18 18 ILE N N 122.6 0.2 1 107 19 19 THR H H 8.14 0.02 1 108 19 19 THR HA H 4.76 0.02 1 109 19 19 THR HB H 4.76 0.02 1 110 19 19 THR HG1 H 5.17 0.02 1 111 19 19 THR HG2 H 1.36 0.02 1 112 19 19 THR C C 175.4 0.2 1 113 19 19 THR CA C 59.8 0.2 1 114 19 19 THR CB C 72.1 0.2 1 115 19 19 THR CG2 C 21.8 0.2 1 116 19 19 THR N N 108.7 0.2 1 117 20 20 TRP H H 9.06 0.02 1 118 20 20 TRP HA H 3.90 0.02 1 119 20 20 TRP HB2 H 3.22 0.02 2 120 20 20 TRP HB3 H 3.43 0.02 2 121 20 20 TRP HD1 H 7.20 0.02 1 122 20 20 TRP HE1 H 10.34 0.02 1 123 20 20 TRP HZ2 H 7.30 0.02 1 124 20 20 TRP HZ3 H 7.21 0.02 1 125 20 20 TRP HH2 H 6.98 0.02 1 126 20 20 TRP C C 176.6 0.2 1 127 20 20 TRP CA C 60.0 0.2 1 128 20 20 TRP CB C 29.3 0.2 1 129 20 20 TRP CD1 C 127.9 0.2 1 130 20 20 TRP CZ2 C 114.7 0.2 1 131 20 20 TRP CZ3 C 121.2 0.2 1 132 20 20 TRP CH2 C 122.3 0.2 1 133 20 20 TRP N N 121.9 0.2 1 134 20 20 TRP NE1 N 129.6 0.2 1 135 21 21 LYS H H 8.32 0.02 1 136 21 21 LYS HA H 3.66 0.02 1 137 21 21 LYS HB2 H 1.69 0.02 2 138 21 21 LYS HB3 H 1.88 0.02 2 139 21 21 LYS HG2 H 1.41 0.02 2 140 21 21 LYS HG3 H 1.52 0.02 2 141 21 21 LYS HD2 H 1.70 0.02 2 142 21 21 LYS HD3 H 1.70 0.02 2 143 21 21 LYS HE2 H 3.01 0.02 2 144 21 21 LYS HE3 H 3.01 0.02 2 145 21 21 LYS C C 178.2 0.2 1 146 21 21 LYS CA C 59.7 0.2 1 147 21 21 LYS CB C 32.2 0.2 1 148 21 21 LYS CG C 25.0 0.2 1 149 21 21 LYS CD C 29.3 0.2 1 150 21 21 LYS CE C 42.0 0.2 1 151 21 21 LYS N N 116.9 0.2 1 152 22 22 ASP H H 7.67 0.02 1 153 22 22 ASP HA H 4.27 0.02 1 154 22 22 ASP HB2 H 2.82 0.02 2 155 22 22 ASP HB3 H 2.93 0.02 2 156 22 22 ASP C C 178.5 0.2 1 157 22 22 ASP CA C 57.0 0.2 1 158 22 22 ASP CB C 41.3 0.2 1 159 22 22 ASP N N 119.0 0.2 1 160 23 23 PHE H H 8.43 0.02 1 161 23 23 PHE HA H 4.25 0.02 1 162 23 23 PHE HB2 H 2.77 0.02 2 163 23 23 PHE HB3 H 2.98 0.02 2 164 23 23 PHE HD2 H 6.61 0.02 3 165 23 23 PHE HD1 H 6.61 0.02 3 166 23 23 PHE HE2 H 7.11 0.02 3 167 23 23 PHE HE1 H 7.11 0.02 3 168 23 23 PHE HZ H 7.23 0.02 1 169 23 23 PHE C C 177.5 0.2 1 170 23 23 PHE CA C 60.8 0.2 1 171 23 23 PHE CB C 37.6 0.2 1 172 23 23 PHE CD2 C 132.9 0.2 3 173 23 23 PHE CD1 C 132.9 0.2 3 174 23 23 PHE CE2 C 130.5 0.2 3 175 23 23 PHE CE1 C 130.5 0.2 3 176 23 23 PHE CZ C 129.4 0.2 1 177 23 23 PHE N N 120.0 0.2 1 178 24 24 VAL H H 8.25 0.02 1 179 24 24 VAL HA H 2.73 0.02 1 180 24 24 VAL HB H 1.66 0.02 1 181 24 24 VAL HG1 H 0.64 0.02 1 182 24 24 VAL HG2 H 0.05 0.02 1 183 24 24 VAL C C 178.2 0.2 1 184 24 24 VAL CA C 66.9 0.2 1 185 24 24 VAL CB C 32.1 0.2 1 186 24 24 VAL CG1 C 21.4 0.2 1 187 24 24 VAL CG2 C 22.0 0.2 1 188 24 24 VAL N N 120.7 0.2 1 189 25 25 ASN H H 8.26 0.02 1 190 25 25 ASN HA H 4.20 0.02 1 191 25 25 ASN HB2 H 2.60 0.02 2 192 25 25 ASN HB3 H 2.70 0.02 2 193 25 25 ASN HD21 H 7.54 0.02 1 194 25 25 ASN HD22 H 6.90 0.02 1 195 25 25 ASN C C 176.2 0.2 1 196 25 25 ASN CA C 56.0 0.2 1 197 25 25 ASN CB C 38.7 0.2 1 198 25 25 ASN CG C 175.9 0.2 1 199 25 25 ASN N N 116.7 0.2 1 200 25 25 ASN ND2 N 111.9 0.2 1 201 26 26 ASN H H 8.49 0.02 1 202 26 26 ASN HA H 4.60 0.02 1 203 26 26 ASN HB2 H 2.00 0.02 2 204 26 26 ASN HB3 H 2.35 0.02 2 205 26 26 ASN HD21 H 7.61 0.02 1 206 26 26 ASN HD22 H 6.92 0.02 1 207 26 26 ASN C C 174.5 0.2 1 208 26 26 ASN CA C 53.6 0.2 1 209 26 26 ASN CB C 38.8 0.2 1 210 26 26 ASN CG C 176.8 0.2 1 211 26 26 ASN N N 112.3 0.2 1 212 26 26 ASN ND2 N 113.7 0.2 1 213 27 27 TYR H H 7.00 0.02 1 214 27 27 TYR HA H 4.83 0.02 1 215 27 27 TYR HB2 H 2.69 0.02 2 216 27 27 TYR HB3 H 3.02 0.02 2 217 27 27 TYR HD2 H 7.14 0.02 3 218 27 27 TYR HD1 H 7.14 0.02 3 219 27 27 TYR HE2 H 6.80 0.02 3 220 27 27 TYR HE1 H 6.80 0.02 3 221 27 27 TYR C C 176.5 0.2 1 222 27 27 TYR CA C 58.2 0.2 1 223 27 27 TYR CB C 39.3 0.2 1 224 27 27 TYR CD2 C 133.2 0.2 3 225 27 27 TYR CD1 C 133.2 0.2 3 226 27 27 TYR CE2 C 118.2 0.2 3 227 27 27 TYR CE1 C 118.2 0.2 3 228 27 27 TYR N N 113.7 0.2 1 229 28 28 LEU H H 8.18 0.02 1 230 28 28 LEU HA H 3.83 0.02 1 231 28 28 LEU HB2 H 0.47 0.02 2 232 28 28 LEU HB3 H 1.36 0.02 2 233 28 28 LEU HG H 1.37 0.02 1 234 28 28 LEU HD1 H 0.90 0.02 1 235 28 28 LEU HD2 H 0.73 0.02 1 236 28 28 LEU C C 179.7 0.2 1 237 28 28 LEU CA C 58.3 0.2 1 238 28 28 LEU CB C 41.4 0.2 1 239 28 28 LEU CG C 26.9 0.2 1 240 28 28 LEU CD1 C 22.9 0.2 1 241 28 28 LEU CD2 C 26.5 0.2 1 242 28 28 LEU N N 122.7 0.2 1 243 29 29 SER H H 7.94 0.02 1 244 29 29 SER HA H 4.12 0.02 1 245 29 29 SER HB2 H 3.82 0.02 2 246 29 29 SER HB3 H 3.98 0.02 2 247 29 29 SER C C 174.0 0.2 1 248 29 29 SER CA C 60.3 0.2 1 249 29 29 SER CB C 63.1 0.2 1 250 29 29 SER N N 109.3 0.2 1 251 30 30 LYS H H 6.68 0.02 1 252 30 30 LYS HA H 4.46 0.02 1 253 30 30 LYS HB2 H 1.57 0.02 2 254 30 30 LYS HB3 H 2.05 0.02 2 255 30 30 LYS HG2 H 1.15 0.02 2 256 30 30 LYS HG3 H 1.35 0.02 2 257 30 30 LYS HD2 H 1.55 0.02 2 258 30 30 LYS HD3 H 1.55 0.02 2 259 30 30 LYS HE2 H 2.98 0.02 2 260 30 30 LYS HE3 H 2.98 0.02 2 261 30 30 LYS C C 177.2 0.2 1 262 30 30 LYS CA C 54.8 0.2 1 263 30 30 LYS CB C 33.0 0.2 1 264 30 30 LYS CG C 24.9 0.2 1 265 30 30 LYS CD C 28.0 0.2 1 266 30 30 LYS CE C 42.4 0.2 1 267 30 30 LYS N N 117.2 0.2 1 268 31 31 GLY H H 7.66 0.02 1 269 31 31 GLY HA2 H 4.05 0.02 2 270 31 31 GLY HA3 H 4.14 0.02 2 271 31 31 GLY C C 175.7 0.2 1 272 31 31 GLY CA C 47.4 0.2 1 273 31 31 GLY N N 107.1 0.2 1 274 32 32 VAL H H 6.91 0.02 1 275 32 32 VAL HA H 4.63 0.02 1 276 32 32 VAL HB H 2.77 0.02 1 277 32 32 VAL HG1 H 0.95 0.02 1 278 32 32 VAL HG2 H 1.15 0.02 1 279 32 32 VAL C C 174.8 0.2 1 280 32 32 VAL CA C 60.8 0.2 1 281 32 32 VAL CB C 32.1 0.2 1 282 32 32 VAL CG1 C 21.6 0.2 1 283 32 32 VAL CG2 C 19.1 0.2 1 284 32 32 VAL N N 107.3 0.2 1 285 33 33 VAL H H 8.18 0.02 1 286 33 33 VAL HA H 4.00 0.02 1 287 33 33 VAL HB H 2.33 0.02 1 288 33 33 VAL HG1 H 0.98 0.02 1 289 33 33 VAL HG2 H 0.89 0.02 1 290 33 33 VAL C C 174.5 0.2 1 291 33 33 VAL CA C 63.3 0.2 1 292 33 33 VAL CB C 32.1 0.2 1 293 33 33 VAL CG1 C 22.8 0.2 1 294 33 33 VAL CG2 C 23.1 0.2 1 295 33 33 VAL N N 122.0 0.2 1 296 34 34 ASP H H 9.15 0.02 1 297 34 34 ASP HA H 4.76 0.02 1 298 34 34 ASP HB2 H 2.27 0.02 2 299 34 34 ASP HB3 H 2.40 0.02 2 300 34 34 ASP C C 175.4 0.2 1 301 34 34 ASP CA C 55.3 0.2 1 302 34 34 ASP CB C 43.6 0.2 1 303 34 34 ASP N N 128.2 0.2 1 304 35 35 ARG H H 7.44 0.02 1 305 35 35 ARG HA H 4.62 0.02 1 306 35 35 ARG HB2 H 1.73 0.02 2 307 35 35 ARG HB3 H 1.81 0.02 2 308 35 35 ARG HG2 H 1.35 0.02 2 309 35 35 ARG HG3 H 1.48 0.02 2 310 35 35 ARG HD2 H 3.01 0.02 2 311 35 35 ARG HD3 H 3.08 0.02 2 312 35 35 ARG HE H 7.39 0.02 1 313 35 35 ARG C C 172.9 0.2 1 314 35 35 ARG CA C 55.3 0.2 1 315 35 35 ARG CB C 33.1 0.2 1 316 35 35 ARG CG C 26.5 0.2 1 317 35 35 ARG CD C 43.9 0.2 1 318 35 35 ARG N N 112.2 0.2 1 319 35 35 ARG NE N 84.5 0.2 1 320 36 36 LEU H H 8.41 0.02 1 321 36 36 LEU HA H 5.02 0.02 1 322 36 36 LEU HB2 H 1.17 0.02 2 323 36 36 LEU HB3 H 1.95 0.02 2 324 36 36 LEU HG H 1.70 0.02 1 325 36 36 LEU HD1 H 1.19 0.02 1 326 36 36 LEU HD2 H 1.04 0.02 1 327 36 36 LEU C C 174.8 0.2 1 328 36 36 LEU CA C 53.0 0.2 1 329 36 36 LEU CB C 43.9 0.2 1 330 36 36 LEU CG C 26.6 0.2 1 331 36 36 LEU CD1 C 27.2 0.2 1 332 36 36 LEU CD2 C 25.6 0.2 1 333 36 36 LEU N N 120.4 0.2 1 334 37 37 GLU H H 8.47 0.02 1 335 37 37 GLU HA H 4.93 0.02 1 336 37 37 GLU HB2 H 1.45 0.02 2 337 37 37 GLU HB3 H 1.80 0.02 2 338 37 37 GLU HG2 H 1.81 0.02 2 339 37 37 GLU HG3 H 2.02 0.02 2 340 37 37 GLU C C 174.4 0.2 1 341 37 37 GLU CA C 53.3 0.2 1 342 37 37 GLU CB C 31.7 0.2 1 343 37 37 GLU CG C 36.2 0.2 1 344 37 37 GLU N N 120.8 0.2 1 345 38 38 VAL H H 9.13 0.02 1 346 38 38 VAL HA H 4.01 0.02 1 347 38 38 VAL HB H 1.62 0.02 1 348 38 38 VAL HG1 H 0.54 0.02 1 349 38 38 VAL HG2 H 0.38 0.02 1 350 38 38 VAL C C 175.5 0.2 1 351 38 38 VAL CA C 61.4 0.2 1 352 38 38 VAL CB C 30.8 0.2 1 353 38 38 VAL CG1 C 21.1 0.2 1 354 38 38 VAL CG2 C 21.0 0.2 1 355 38 38 VAL N N 125.6 0.2 1 356 39 39 VAL H H 9.04 0.02 1 357 39 39 VAL HA H 4.18 0.02 1 358 39 39 VAL HB H 0.30 0.02 1 359 39 39 VAL HG1 H 0.46 0.02 1 360 39 39 VAL HG2 H 0.23 0.02 1 361 39 39 VAL C C 175.6 0.2 1 362 39 39 VAL CA C 61.7 0.2 1 363 39 39 VAL CB C 30.8 0.2 1 364 39 39 VAL CG1 C 21.9 0.2 1 365 39 39 VAL CG2 C 19.9 0.2 1 366 39 39 VAL N N 131.7 0.2 1 367 40 40 ASN H H 9.06 0.02 1 368 40 40 ASN HA H 4.46 0.02 1 369 40 40 ASN HB2 H 2.83 0.02 2 370 40 40 ASN HB3 H 3.14 0.02 2 371 40 40 ASN HD21 H 7.55 0.02 1 372 40 40 ASN HD22 H 7.41 0.02 1 373 40 40 ASN C C 173.3 0.2 1 374 40 40 ASN CA C 54.1 0.2 1 375 40 40 ASN CB C 37.0 0.2 1 376 40 40 ASN CG C 178.2 0.2 1 377 40 40 ASN N N 125.0 0.2 1 378 40 40 ASN ND2 N 112.7 0.2 1 379 41 41 LYS H H 9.25 0.02 1 380 41 41 LYS HA H 3.24 0.02 1 381 41 41 LYS HB2 H 1.97 0.02 2 382 41 41 LYS HB3 H 2.04 0.02 2 383 41 41 LYS HG2 H 1.19 0.02 2 384 41 41 LYS HG3 H 1.46 0.02 2 385 41 41 LYS HD2 H 1.64 0.02 2 386 41 41 LYS HD3 H 1.72 0.02 2 387 41 41 LYS HE2 H 2.92 0.02 2 388 41 41 LYS HE3 H 2.92 0.02 2 389 41 41 LYS C C 175.0 0.2 1 390 41 41 LYS CA C 58.3 0.2 1 391 41 41 LYS CB C 30.6 0.2 1 392 41 41 LYS CG C 25.9 0.2 1 393 41 41 LYS CD C 29.5 0.2 1 394 41 41 LYS CE C 42.3 0.2 1 395 41 41 LYS N N 109.9 0.2 1 396 42 42 ARG H H 8.11 0.02 1 397 42 42 ARG HA H 4.71 0.02 1 398 42 42 ARG HB2 H 1.74 0.02 2 399 42 42 ARG HB3 H 1.89 0.02 2 400 42 42 ARG HG2 H 1.73 0.02 2 401 42 42 ARG HG3 H 1.80 0.02 2 402 42 42 ARG HD2 H 3.30 0.02 2 403 42 42 ARG HD3 H 3.30 0.02 2 404 42 42 ARG HE H 6.84 0.02 1 405 42 42 ARG C C 174.9 0.2 1 406 42 42 ARG CA C 57.2 0.2 1 407 42 42 ARG CB C 34.2 0.2 1 408 42 42 ARG CG C 27.5 0.2 1 409 42 42 ARG CD C 43.4 0.2 1 410 42 42 ARG N N 115.8 0.2 1 411 43 43 PHE H H 7.61 0.02 1 412 43 43 PHE HA H 5.16 0.02 1 413 43 43 PHE HB2 H 3.08 0.02 2 414 43 43 PHE HB3 H 3.30 0.02 2 415 43 43 PHE HD2 H 6.85 0.02 3 416 43 43 PHE HD1 H 6.85 0.02 3 417 43 43 PHE HE2 H 6.95 0.02 3 418 43 43 PHE HE1 H 6.95 0.02 3 419 43 43 PHE HZ H 6.95 0.02 1 420 43 43 PHE C C 171.2 0.2 1 421 43 43 PHE CA C 55.7 0.2 1 422 43 43 PHE CB C 41.1 0.2 1 423 43 43 PHE CD2 C 132.3 0.2 3 424 43 43 PHE CD1 C 132.3 0.2 3 425 43 43 PHE CE2 C 130.4 0.2 3 426 43 43 PHE CE1 C 130.4 0.2 3 427 43 43 PHE CZ C 129.9 0.2 1 428 43 43 PHE N N 115.1 0.2 1 429 44 44 VAL H H 9.03 0.02 1 430 44 44 VAL HA H 4.59 0.02 1 431 44 44 VAL HB H 0.04 0.02 1 432 44 44 VAL HG1 H 0.24 0.02 1 433 44 44 VAL HG2 H -0.15 0.02 1 434 44 44 VAL C C 174.6 0.2 1 435 44 44 VAL CA C 59.8 0.2 1 436 44 44 VAL CB C 32.9 0.2 1 437 44 44 VAL CG1 C 23.4 0.2 1 438 44 44 VAL CG2 C 22.1 0.2 1 439 44 44 VAL N N 121.2 0.2 1 440 45 45 ARG H H 9.32 0.02 1 441 45 45 ARG HA H 4.96 0.02 1 442 45 45 ARG HB2 H 1.62 0.02 2 443 45 45 ARG HB3 H 1.73 0.02 2 444 45 45 ARG HG2 H 1.40 0.02 2 445 45 45 ARG HG3 H 1.47 0.02 2 446 45 45 ARG HD2 H 2.60 0.02 2 447 45 45 ARG HD3 H 2.76 0.02 2 448 45 45 ARG HE H 6.75 0.02 1 449 45 45 ARG C C 175.4 0.2 1 450 45 45 ARG CA C 55.0 0.2 1 451 45 45 ARG CB C 33.2 0.2 1 452 45 45 ARG CG C 28.1 0.2 1 453 45 45 ARG CD C 43.5 0.2 1 454 45 45 ARG N N 125.0 0.2 1 455 45 45 ARG NE N 82.9 0.2 1 456 46 46 VAL H H 8.77 0.02 1 457 46 46 VAL HA H 4.11 0.02 1 458 46 46 VAL HB H 1.99 0.02 1 459 46 46 VAL HG1 H 0.52 0.02 1 460 46 46 VAL HG2 H 0.81 0.02 1 461 46 46 VAL C C 174.7 0.2 1 462 46 46 VAL CA C 62.2 0.2 1 463 46 46 VAL CB C 33.1 0.2 1 464 46 46 VAL CG1 C 22.5 0.2 1 465 46 46 VAL CG2 C 22.0 0.2 1 466 46 46 VAL N N 127.2 0.2 1 467 47 47 THR H H 8.11 0.02 1 468 47 47 THR HA H 4.70 0.02 1 469 47 47 THR HB H 4.14 0.02 1 470 47 47 THR HG2 H 1.22 0.02 1 471 47 47 THR C C 174.5 0.2 1 472 47 47 THR CA C 61.3 0.2 1 473 47 47 THR CB C 69.8 0.2 1 474 47 47 THR CG2 C 21.5 0.2 1 475 47 47 THR N N 120.8 0.2 1 476 48 48 PHE H H 9.00 0.02 1 477 48 48 PHE HA H 5.35 0.02 1 478 48 48 PHE HB2 H 2.95 0.02 2 479 48 48 PHE HB3 H 3.24 0.02 2 480 48 48 PHE HD2 H 7.40 0.02 3 481 48 48 PHE HD1 H 7.40 0.02 3 482 48 48 PHE HE2 H 7.14 0.02 3 483 48 48 PHE HE1 H 7.14 0.02 3 484 48 48 PHE HZ H 6.72 0.02 1 485 48 48 PHE C C 176.0 0.2 1 486 48 48 PHE CA C 57.3 0.2 1 487 48 48 PHE CB C 41.4 0.2 1 488 48 48 PHE CD2 C 132.2 0.2 3 489 48 48 PHE CD1 C 132.2 0.2 3 490 48 48 PHE CE2 C 131.0 0.2 3 491 48 48 PHE CE1 C 131.0 0.2 3 492 48 48 PHE CZ C 129.0 0.2 1 493 48 48 PHE N N 125.7 0.2 1 494 49 49 THR H H 8.62 0.02 1 495 49 49 THR HA H 4.33 0.02 1 496 49 49 THR HB H 3.99 0.02 1 497 49 49 THR HG2 H 1.31 0.02 1 498 49 49 THR CA C 61.2 0.2 1 499 49 49 THR CB C 69.4 0.2 1 500 49 49 THR CG2 C 21.8 0.2 1 501 49 49 THR N N 118.9 0.2 1 502 50 50 PRO HA H 4.36 0.02 1 503 50 50 PRO HB2 H 1.96 0.02 2 504 50 50 PRO HB3 H 2.36 0.02 2 505 50 50 PRO HG2 H 2.05 0.02 2 506 50 50 PRO HG3 H 2.17 0.02 2 507 50 50 PRO HD2 H 3.73 0.02 2 508 50 50 PRO HD3 H 4.02 0.02 2 509 50 50 PRO C C 177.7 0.2 1 510 50 50 PRO CA C 64.5 0.2 1 511 50 50 PRO CB C 31.8 0.2 1 512 50 50 PRO CG C 27.9 0.2 1 513 50 50 PRO CD C 51.4 0.2 1 514 51 51 GLY H H 8.88 0.02 1 515 51 51 GLY HA2 H 3.88 0.02 2 516 51 51 GLY HA3 H 4.24 0.02 2 517 51 51 GLY C C 175.2 0.2 1 518 51 51 GLY CA C 45.4 0.2 1 519 51 51 GLY N N 111.3 0.2 1 520 52 52 LYS H H 8.11 0.02 1 521 52 52 LYS HA H 4.57 0.02 1 522 52 52 LYS HB2 H 1.95 0.02 2 523 52 52 LYS HB3 H 2.08 0.02 2 524 52 52 LYS HG2 H 1.30 0.02 2 525 52 52 LYS HG3 H 1.39 0.02 2 526 52 52 LYS HD2 H 1.61 0.02 2 527 52 52 LYS HD3 H 1.71 0.02 2 528 52 52 LYS HE2 H 2.98 0.02 2 529 52 52 LYS HE3 H 2.98 0.02 2 530 52 52 LYS C C 175.8 0.2 1 531 52 52 LYS CA C 54.8 0.2 1 532 52 52 LYS CB C 32.6 0.2 1 533 52 52 LYS CG C 25.0 0.2 1 534 52 52 LYS CD C 28.8 0.2 1 535 52 52 LYS CE C 42.3 0.2 1 536 52 52 LYS N N 118.9 0.2 1 537 53 53 THR H H 7.70 0.02 1 538 53 53 THR HA H 4.18 0.02 1 539 53 53 THR HB H 4.11 0.02 1 540 53 53 THR HG2 H 1.20 0.02 1 541 53 53 THR CA C 60.4 0.2 1 542 53 53 THR CB C 69.1 0.2 1 543 53 53 THR CG2 C 21.5 0.2 1 544 53 53 THR N N 114.7 0.2 1 545 54 54 PRO HA H 4.41 0.02 1 546 54 54 PRO HB2 H 1.94 0.02 2 547 54 54 PRO HB3 H 2.28 0.02 2 548 54 54 PRO HG2 H 1.71 0.02 2 549 54 54 PRO HG3 H 1.80 0.02 2 550 54 54 PRO HD2 H 3.09 0.02 2 551 54 54 PRO HD3 H 3.23 0.02 2 552 54 54 PRO C C 177.5 0.2 1 553 54 54 PRO CA C 63.2 0.2 1 554 54 54 PRO CB C 32.3 0.2 1 555 54 54 PRO CG C 27.7 0.2 1 556 54 54 PRO CD C 50.7 0.2 1 557 55 55 VAL H H 8.19 0.02 1 558 55 55 VAL HA H 4.00 0.02 1 559 55 55 VAL HB H 2.09 0.02 1 560 55 55 VAL HG1 H 0.94 0.02 1 561 55 55 VAL HG2 H 0.94 0.02 1 562 55 55 VAL C C 176.0 0.2 1 563 55 55 VAL CA C 63.3 0.2 1 564 55 55 VAL CB C 32.4 0.2 1 565 55 55 VAL CG1 C 20.9 0.2 1 566 55 55 VAL CG2 C 20.7 0.2 1 567 55 55 VAL N N 119.3 0.2 1 568 56 56 ASP H H 8.17 0.02 1 569 56 56 ASP HA H 4.57 0.02 1 570 56 56 ASP HB2 H 2.67 0.02 2 571 56 56 ASP HB3 H 2.80 0.02 2 572 56 56 ASP C C 177.0 0.2 1 573 56 56 ASP CA C 54.3 0.2 1 574 56 56 ASP CB C 40.7 0.2 1 575 56 56 ASP N N 120.3 0.2 1 576 57 57 GLY H H 8.11 0.02 1 577 57 57 GLY HA2 H 3.88 0.02 2 578 57 57 GLY HA3 H 4.00 0.02 2 579 57 57 GLY C C 173.7 0.2 1 580 57 57 GLY CA C 45.8 0.2 1 581 57 57 GLY N N 108.3 0.2 1 582 58 58 GLN H H 8.07 0.02 1 583 58 58 GLN HA H 4.50 0.02 1 584 58 58 GLN HB2 H 2.00 0.02 2 585 58 58 GLN HB3 H 2.00 0.02 2 586 58 58 GLN HG2 H 2.22 0.02 2 587 58 58 GLN HG3 H 2.22 0.02 2 588 58 58 GLN HE21 H 7.47 0.02 1 589 58 58 GLN HE22 H 6.84 0.02 1 590 58 58 GLN C C 175.7 0.2 1 591 58 58 GLN CA C 56.2 0.2 1 592 58 58 GLN CB C 30.2 0.2 1 593 58 58 GLN CG C 34.2 0.2 1 594 58 58 GLN CD C 180.2 0.2 1 595 58 58 GLN N N 118.9 0.2 1 596 58 58 GLN NE2 N 111.8 0.2 1 597 59 59 TYR H H 8.11 0.02 1 598 59 59 TYR HA H 5.13 0.02 1 599 59 59 TYR HB2 H 3.16 0.02 2 600 59 59 TYR HB3 H 3.16 0.02 2 601 59 59 TYR HD2 H 7.14 0.02 3 602 59 59 TYR HD1 H 7.14 0.02 3 603 59 59 TYR HE2 H 6.68 0.02 3 604 59 59 TYR HE1 H 6.68 0.02 3 605 59 59 TYR C C 177.5 0.2 1 606 59 59 TYR CA C 56.7 0.2 1 607 59 59 TYR CB C 39.3 0.2 1 608 59 59 TYR CD2 C 133.5 0.2 3 609 59 59 TYR CD1 C 133.5 0.2 3 610 59 59 TYR CE2 C 118.2 0.2 3 611 59 59 TYR CE1 C 118.2 0.2 3 612 59 59 TYR N N 118.8 0.2 1 613 60 60 VAL H H 8.25 0.02 1 614 60 60 VAL HA H 5.50 0.02 1 615 60 60 VAL HB H 2.26 0.02 1 616 60 60 VAL HG1 H 1.06 0.02 1 617 60 60 VAL HG2 H 0.82 0.02 1 618 60 60 VAL C C 174.7 0.2 1 619 60 60 VAL CA C 60.0 0.2 1 620 60 60 VAL CB C 35.0 0.2 1 621 60 60 VAL CG1 C 22.2 0.2 1 622 60 60 VAL CG2 C 19.7 0.2 1 623 60 60 VAL N N 115.6 0.2 1 624 61 61 TRP H H 8.50 0.02 1 625 61 61 TRP HA H 5.92 0.02 1 626 61 61 TRP HB2 H 3.06 0.02 2 627 61 61 TRP HB3 H 3.45 0.02 2 628 61 61 TRP HD1 H 6.69 0.02 1 629 61 61 TRP HE1 H 9.65 0.02 1 630 61 61 TRP HE3 H 7.14 0.02 1 631 61 61 TRP HZ2 H 7.32 0.02 1 632 61 61 TRP HZ3 H 6.92 0.02 1 633 61 61 TRP HH2 H 6.99 0.02 1 634 61 61 TRP C C 172.7 0.2 1 635 61 61 TRP CA C 55.0 0.2 1 636 61 61 TRP CB C 32.9 0.2 1 637 61 61 TRP CD1 C 126.7 0.2 1 638 61 61 TRP CE3 C 119.9 0.2 1 639 61 61 TRP CZ2 C 114.7 0.2 1 640 61 61 TRP CZ3 C 121.4 0.2 1 641 61 61 TRP CH2 C 124.5 0.2 1 642 61 61 TRP N N 120.8 0.2 1 643 61 61 TRP NE1 N 128.8 0.2 1 644 62 62 PHE H H 8.70 0.02 1 645 62 62 PHE HA H 5.04 0.02 1 646 62 62 PHE HB2 H 3.07 0.02 2 647 62 62 PHE HB3 H 3.07 0.02 2 648 62 62 PHE HD2 H 6.85 0.02 3 649 62 62 PHE HD1 H 6.85 0.02 3 650 62 62 PHE HE2 H 6.47 0.02 3 651 62 62 PHE HE1 H 6.47 0.02 3 652 62 62 PHE HZ H 6.60 0.02 1 653 62 62 PHE C C 174.8 0.2 1 654 62 62 PHE CA C 55.4 0.2 1 655 62 62 PHE CB C 41.9 0.2 1 656 62 62 PHE CD2 C 132.5 0.2 3 657 62 62 PHE CD1 C 132.5 0.2 3 658 62 62 PHE CE2 C 130.1 0.2 3 659 62 62 PHE CE1 C 130.1 0.2 3 660 62 62 PHE CZ C 127.8 0.2 1 661 62 62 PHE N N 112.1 0.2 1 662 63 63 ASN H H 9.34 0.02 1 663 63 63 ASN HA H 5.16 0.02 1 664 63 63 ASN HB2 H 2.91 0.02 2 665 63 63 ASN HB3 H 2.91 0.02 2 666 63 63 ASN HD21 H 7.59 0.02 1 667 63 63 ASN HD22 H 7.07 0.02 1 668 63 63 ASN C C 175.8 0.2 1 669 63 63 ASN CA C 54.1 0.2 1 670 63 63 ASN CB C 40.6 0.2 1 671 63 63 ASN CG C 175.5 0.2 1 672 63 63 ASN N N 120.8 0.2 1 673 63 63 ASN ND2 N 114.0 0.2 1 674 64 64 ILE H H 7.82 0.02 1 675 64 64 ILE HA H 4.65 0.02 1 676 64 64 ILE HB H 1.63 0.02 1 677 64 64 ILE HG12 H 0.42 0.02 2 678 64 64 ILE HG13 H 1.20 0.02 2 679 64 64 ILE HG2 H 0.75 0.02 1 680 64 64 ILE HD1 H 0.24 0.02 1 681 64 64 ILE C C 175.3 0.2 1 682 64 64 ILE CA C 60.1 0.2 1 683 64 64 ILE CB C 42.1 0.2 1 684 64 64 ILE CG1 C 25.6 0.2 1 685 64 64 ILE CG2 C 19.8 0.2 1 686 64 64 ILE CD1 C 14.1 0.2 1 687 64 64 ILE N N 113.4 0.2 1 688 65 65 GLY H H 8.57 0.02 1 689 65 65 GLY HA2 H 3.83 0.02 2 690 65 65 GLY HA3 H 4.10 0.02 2 691 65 65 GLY C C 174.3 0.2 1 692 65 65 GLY CA C 45.8 0.2 1 693 65 65 GLY N N 110.7 0.2 1 694 66 66 SER H H 7.68 0.02 1 695 66 66 SER HA H 4.73 0.02 1 696 66 66 SER HB2 H 3.95 0.02 2 697 66 66 SER HB3 H 4.15 0.02 2 698 66 66 SER C C 175.5 0.2 1 699 66 66 SER CA C 56.8 0.2 1 700 66 66 SER CB C 64.5 0.2 1 701 66 66 SER N N 113.8 0.2 1 702 67 67 VAL H H 9.15 0.02 1 703 67 67 VAL HA H 3.82 0.02 1 704 67 67 VAL HB H 2.20 0.02 1 705 67 67 VAL HG1 H 1.12 0.02 1 706 67 67 VAL HG2 H 1.08 0.02 1 707 67 67 VAL C C 176.7 0.2 1 708 67 67 VAL CA C 66.6 0.2 1 709 67 67 VAL CB C 31.7 0.2 1 710 67 67 VAL CG1 C 21.9 0.2 1 711 67 67 VAL CG2 C 22.6 0.2 1 712 67 67 VAL N N 127.0 0.2 1 713 68 68 ASP H H 8.32 0.02 1 714 68 68 ASP HA H 4.45 0.02 1 715 68 68 ASP HB2 H 2.64 0.02 2 716 68 68 ASP HB3 H 2.64 0.02 2 717 68 68 ASP C C 178.7 0.2 1 718 68 68 ASP CA C 57.3 0.2 1 719 68 68 ASP CB C 40.7 0.2 1 720 68 68 ASP N N 118.8 0.2 1 721 69 69 THR H H 7.71 0.02 1 722 69 69 THR HA H 3.91 0.02 1 723 69 69 THR HB H 4.12 0.02 1 724 69 69 THR HG2 H 1.20 0.02 1 725 69 69 THR C C 175.5 0.2 1 726 69 69 THR CA C 65.6 0.2 1 727 69 69 THR CB C 68.9 0.2 1 728 69 69 THR CG2 C 22.3 0.2 1 729 69 69 THR N N 114.5 0.2 1 730 70 70 PHE H H 7.68 0.02 1 731 70 70 PHE HA H 4.32 0.02 1 732 70 70 PHE HB2 H 3.17 0.02 2 733 70 70 PHE HB3 H 3.35 0.02 2 734 70 70 PHE HD1 H 7.31 0.02 3 735 70 70 PHE HD2 H 7.31 0.02 3 736 70 70 PHE HE1 H 7.31 0.02 3 737 70 70 PHE HE2 H 7.31 0.02 3 738 70 70 PHE HZ H 7.09 0.02 1 739 70 70 PHE C C 176.0 0.2 1 740 70 70 PHE CA C 60.5 0.2 1 741 70 70 PHE CB C 39.1 0.2 1 742 70 70 PHE CD1 C 132.7 0.2 3 743 70 70 PHE CD2 C 132.7 0.2 3 744 70 70 PHE CE1 C 130.2 0.2 3 745 70 70 PHE CE2 C 130.2 0.2 3 746 70 70 PHE CZ C 129.2 0.2 1 747 70 70 PHE N N 122.8 0.2 1 748 71 71 GLU H H 8.66 0.02 1 749 71 71 GLU HA H 3.37 0.02 1 750 71 71 GLU HB2 H 2.01 0.02 2 751 71 71 GLU HB3 H 2.12 0.02 2 752 71 71 GLU HG2 H 2.21 0.02 2 753 71 71 GLU HG3 H 2.72 0.02 2 754 71 71 GLU C C 179.9 0.2 1 755 71 71 GLU CA C 60.2 0.2 1 756 71 71 GLU CB C 29.2 0.2 1 757 71 71 GLU CG C 37.3 0.2 1 758 71 71 GLU N N 118.4 0.2 1 759 72 72 ARG H H 7.96 0.02 1 760 72 72 ARG HA H 4.16 0.02 1 761 72 72 ARG HB2 H 1.92 0.02 2 762 72 72 ARG HB3 H 1.92 0.02 2 763 72 72 ARG HG2 H 1.72 0.02 2 764 72 72 ARG HG3 H 1.78 0.02 2 765 72 72 ARG HD2 H 3.25 0.02 2 766 72 72 ARG HD3 H 3.25 0.02 2 767 72 72 ARG C C 179.2 0.2 1 768 72 72 ARG CA C 59.1 0.2 1 769 72 72 ARG CB C 30.1 0.2 1 770 72 72 ARG CG C 27.3 0.2 1 771 72 72 ARG CD C 43.5 0.2 1 772 72 72 ARG N N 119.5 0.2 1 773 73 73 ASN H H 8.61 0.02 1 774 73 73 ASN HA H 4.51 0.02 1 775 73 73 ASN HB2 H 2.63 0.02 2 776 73 73 ASN HB3 H 2.78 0.02 2 777 73 73 ASN HD21 H 7.17 0.02 1 778 73 73 ASN HD22 H 6.76 0.02 1 779 73 73 ASN C C 178.1 0.2 1 780 73 73 ASN CA C 55.5 0.2 1 781 73 73 ASN CB C 37.4 0.2 1 782 73 73 ASN CG C 175.8 0.2 1 783 73 73 ASN N N 119.9 0.2 1 784 73 73 ASN ND2 N 110.2 0.2 1 785 74 74 LEU H H 8.72 0.02 1 786 74 74 LEU HA H 4.25 0.02 1 787 74 74 LEU HB2 H 1.28 0.02 2 788 74 74 LEU HB3 H 1.69 0.02 2 789 74 74 LEU HG H 1.61 0.02 1 790 74 74 LEU HD1 H 1.02 0.02 1 791 74 74 LEU HD2 H 0.84 0.02 1 792 74 74 LEU C C 179.1 0.2 1 793 74 74 LEU CA C 58.3 0.2 1 794 74 74 LEU CB C 41.8 0.2 1 795 74 74 LEU CG C 26.9 0.2 1 796 74 74 LEU CD1 C 23.7 0.2 1 797 74 74 LEU CD2 C 26.4 0.2 1 798 74 74 LEU N N 121.9 0.2 1 799 75 75 GLU H H 8.07 0.02 1 800 75 75 GLU HA H 4.11 0.02 1 801 75 75 GLU HB2 H 2.20 0.02 2 802 75 75 GLU HB3 H 2.20 0.02 2 803 75 75 GLU HG2 H 2.34 0.02 2 804 75 75 GLU HG3 H 2.34 0.02 2 805 75 75 GLU C C 178.9 0.2 1 806 75 75 GLU CA C 59.9 0.2 1 807 75 75 GLU CB C 29.3 0.2 1 808 75 75 GLU CG C 35.7 0.2 1 809 75 75 GLU N N 120.7 0.2 1 810 76 76 THR H H 8.40 0.02 1 811 76 76 THR HA H 4.00 0.02 1 812 76 76 THR HB H 4.33 0.02 1 813 76 76 THR HG2 H 1.34 0.02 1 814 76 76 THR C C 176.6 0.2 1 815 76 76 THR CA C 66.5 0.2 1 816 76 76 THR CB C 69.0 0.2 1 817 76 76 THR CG2 C 21.8 0.2 1 818 76 76 THR N N 115.7 0.2 1 819 77 77 LEU H H 8.33 0.02 1 820 77 77 LEU HA H 4.26 0.02 1 821 77 77 LEU HB2 H 1.67 0.02 2 822 77 77 LEU HB3 H 2.06 0.02 2 823 77 77 LEU HG H 1.79 0.02 1 824 77 77 LEU HD1 H 1.00 0.02 1 825 77 77 LEU HD2 H 0.98 0.02 1 826 77 77 LEU C C 179.2 0.2 1 827 77 77 LEU CA C 57.3 0.2 1 828 77 77 LEU CB C 41.9 0.2 1 829 77 77 LEU CG C 27.7 0.2 1 830 77 77 LEU CD1 C 25.3 0.2 1 831 77 77 LEU CD2 C 25.2 0.2 1 832 77 77 LEU N N 122.2 0.2 1 833 78 78 GLN H H 8.20 0.02 1 834 78 78 GLN HA H 3.88 0.02 1 835 78 78 GLN HB2 H 2.21 0.02 2 836 78 78 GLN HB3 H 2.29 0.02 2 837 78 78 GLN HG2 H 1.96 0.02 2 838 78 78 GLN HG3 H 2.90 0.02 2 839 78 78 GLN HE21 H 6.38 0.02 2 840 78 78 GLN HE22 H 7.63 0.02 2 841 78 78 GLN C C 177.6 0.2 1 842 78 78 GLN CA C 61.3 0.2 1 843 78 78 GLN CB C 29.4 0.2 1 844 78 78 GLN CG C 38.1 0.2 1 845 78 78 GLN CD C 177.9 0.2 1 846 78 78 GLN N N 115.7 0.2 1 847 78 78 GLN NE2 N 107.9 0.2 1 848 79 79 GLN H H 7.98 0.02 1 849 79 79 GLN HA H 4.14 0.02 1 850 79 79 GLN HB2 H 2.27 0.02 2 851 79 79 GLN HB3 H 2.33 0.02 2 852 79 79 GLN HG2 H 2.44 0.02 2 853 79 79 GLN HG3 H 2.59 0.02 2 854 79 79 GLN HE21 H 7.70 0.02 1 855 79 79 GLN HE22 H 6.86 0.02 1 856 79 79 GLN C C 180.0 0.2 1 857 79 79 GLN CA C 59.2 0.2 1 858 79 79 GLN CB C 28.2 0.2 1 859 79 79 GLN CG C 33.8 0.2 1 860 79 79 GLN CD C 180.2 0.2 1 861 79 79 GLN N N 118.4 0.2 1 862 79 79 GLN NE2 N 111.9 0.2 1 863 80 80 GLU H H 8.40 0.02 1 864 80 80 GLU HA H 4.05 0.02 1 865 80 80 GLU HB2 H 2.13 0.02 2 866 80 80 GLU HB3 H 2.29 0.02 2 867 80 80 GLU HG2 H 2.30 0.02 2 868 80 80 GLU HG3 H 2.52 0.02 2 869 80 80 GLU C C 178.8 0.2 1 870 80 80 GLU CA C 59.3 0.2 1 871 80 80 GLU CB C 29.6 0.2 1 872 80 80 GLU CG C 36.4 0.2 1 873 80 80 GLU N N 121.7 0.2 1 874 81 81 LEU H H 8.12 0.02 1 875 81 81 LEU HA H 4.30 0.02 1 876 81 81 LEU HB2 H 1.64 0.02 2 877 81 81 LEU HB3 H 1.79 0.02 2 878 81 81 LEU HG H 1.87 0.02 1 879 81 81 LEU HD1 H 0.69 0.02 1 880 81 81 LEU HD2 H 0.86 0.02 1 881 81 81 LEU C C 177.4 0.2 1 882 81 81 LEU CA C 55.1 0.2 1 883 81 81 LEU CB C 42.8 0.2 1 884 81 81 LEU CG C 26.8 0.2 1 885 81 81 LEU CD1 C 25.7 0.2 1 886 81 81 LEU CD2 C 22.2 0.2 1 887 81 81 LEU N N 117.2 0.2 1 888 82 82 GLY H H 7.84 0.02 1 889 82 82 GLY HA2 H 3.88 0.02 2 890 82 82 GLY HA3 H 4.00 0.02 2 891 82 82 GLY C C 174.6 0.2 1 892 82 82 GLY CA C 46.3 0.2 1 893 82 82 GLY N N 108.9 0.2 1 894 83 83 ILE H H 8.25 0.02 1 895 83 83 ILE HA H 4.00 0.02 1 896 83 83 ILE HB H 1.70 0.02 1 897 83 83 ILE HG12 H 1.05 0.02 2 898 83 83 ILE HG13 H 1.51 0.02 2 899 83 83 ILE HG2 H 0.81 0.02 1 900 83 83 ILE HD1 H 0.87 0.02 1 901 83 83 ILE C C 175.3 0.2 1 902 83 83 ILE CA C 61.5 0.2 1 903 83 83 ILE CB C 37.8 0.2 1 904 83 83 ILE CG1 C 27.1 0.2 1 905 83 83 ILE CG2 C 18.2 0.2 1 906 83 83 ILE CD1 C 13.3 0.2 1 907 83 83 ILE N N 121.9 0.2 1 908 84 84 GLU H H 8.76 0.02 1 909 84 84 GLU HA H 4.50 0.02 1 910 84 84 GLU HB2 H 1.91 0.02 2 911 84 84 GLU HB3 H 2.12 0.02 2 912 84 84 GLU HG2 H 2.22 0.02 2 913 84 84 GLU HG3 H 2.22 0.02 2 914 84 84 GLU C C 177.4 0.2 1 915 84 84 GLU CA C 55.3 0.2 1 916 84 84 GLU CB C 32.6 0.2 1 917 84 84 GLU CG C 35.9 0.2 1 918 84 84 GLU N N 126.6 0.2 1 919 85 85 GLY H H 8.87 0.02 1 920 85 85 GLY HA2 H 3.72 0.02 2 921 85 85 GLY HA3 H 3.97 0.02 2 922 85 85 GLY C C 176.6 0.2 1 923 85 85 GLY CA C 47.4 0.2 1 924 85 85 GLY N N 109.4 0.2 1 925 86 86 GLU H H 9.24 0.02 1 926 86 86 GLU HA H 4.25 0.02 1 927 86 86 GLU HB2 H 2.02 0.02 2 928 86 86 GLU HB3 H 2.14 0.02 2 929 86 86 GLU HG2 H 2.32 0.02 2 930 86 86 GLU HG3 H 2.32 0.02 2 931 86 86 GLU C C 176.2 0.2 1 932 86 86 GLU CA C 57.8 0.2 1 933 86 86 GLU CB C 29.1 0.2 1 934 86 86 GLU CG C 36.0 0.2 1 935 86 86 GLU N N 123.9 0.2 1 936 87 87 ASN H H 8.05 0.02 1 937 87 87 ASN HA H 4.83 0.02 1 938 87 87 ASN HB2 H 2.79 0.02 2 939 87 87 ASN HB3 H 3.00 0.02 2 940 87 87 ASN HD21 H 7.78 0.02 1 941 87 87 ASN HD22 H 7.09 0.02 1 942 87 87 ASN C C 174.6 0.2 1 943 87 87 ASN CA C 53.2 0.2 1 944 87 87 ASN CB C 39.4 0.2 1 945 87 87 ASN CG C 177.1 0.2 1 946 87 87 ASN N N 115.9 0.2 1 947 87 87 ASN ND2 N 113.8 0.2 1 948 88 88 ARG H H 7.23 0.02 1 949 88 88 ARG HA H 4.05 0.02 1 950 88 88 ARG HB2 H 1.76 0.02 2 951 88 88 ARG HB3 H 1.89 0.02 2 952 88 88 ARG HG2 H 1.44 0.02 2 953 88 88 ARG HG3 H 1.64 0.02 2 954 88 88 ARG HD2 H 3.21 0.02 2 955 88 88 ARG HD3 H 3.21 0.02 2 956 88 88 ARG HE H 7.27 0.02 1 957 88 88 ARG C C 176.6 0.2 1 958 88 88 ARG CA C 56.6 0.2 1 959 88 88 ARG CB C 30.6 0.2 1 960 88 88 ARG CG C 28.4 0.2 1 961 88 88 ARG CD C 43.5 0.2 1 962 88 88 ARG N N 119.3 0.2 1 963 88 88 ARG NE N 83.8 0.2 1 964 89 89 VAL H H 8.78 0.02 1 965 89 89 VAL HA H 4.29 0.02 1 966 89 89 VAL HB H 1.99 0.02 1 967 89 89 VAL HG1 H 0.94 0.02 1 968 89 89 VAL HG2 H 1.02 0.02 1 969 89 89 VAL CA C 60.0 0.2 1 970 89 89 VAL CB C 33.1 0.2 1 971 89 89 VAL CG1 C 22.0 0.2 1 972 89 89 VAL CG2 C 21.5 0.2 1 973 89 89 VAL N N 124.7 0.2 1 974 90 90 PRO HA H 4.51 0.02 1 975 90 90 PRO HB2 H 1.84 0.02 2 976 90 90 PRO HB3 H 2.31 0.02 2 977 90 90 PRO HG2 H 2.02 0.02 2 978 90 90 PRO HG3 H 2.19 0.02 2 979 90 90 PRO HD2 H 4.04 0.02 2 980 90 90 PRO HD3 H 4.12 0.02 2 981 90 90 PRO C C 175.1 0.2 1 982 90 90 PRO CA C 63.1 0.2 1 983 90 90 PRO CB C 32.6 0.2 1 984 90 90 PRO CG C 27.9 0.2 1 985 90 90 PRO CD C 51.5 0.2 1 986 91 91 VAL H H 8.03 0.02 1 987 91 91 VAL HA H 4.81 0.02 1 988 91 91 VAL HB H 1.94 0.02 1 989 91 91 VAL HG1 H 0.70 0.02 1 990 91 91 VAL HG2 H 0.97 0.02 1 991 91 91 VAL C C 176.1 0.2 1 992 91 91 VAL CA C 61.3 0.2 1 993 91 91 VAL CB C 34.2 0.2 1 994 91 91 VAL CG1 C 22.4 0.2 1 995 91 91 VAL CG2 C 22.2 0.2 1 996 91 91 VAL N N 121.6 0.2 1 997 92 92 VAL H H 8.64 0.02 1 998 92 92 VAL HA H 4.54 0.02 1 999 92 92 VAL HB H 1.97 0.02 1 1000 92 92 VAL HG1 H 0.92 0.02 1 1001 92 92 VAL HG2 H 0.86 0.02 1 1002 92 92 VAL C C 173.6 0.2 1 1003 92 92 VAL CA C 59.7 0.2 1 1004 92 92 VAL CB C 34.9 0.2 1 1005 92 92 VAL CG1 C 21.2 0.2 1 1006 92 92 VAL CG2 C 20.2 0.2 1 1007 92 92 VAL N N 124.8 0.2 1 1008 93 93 TYR H H 8.80 0.02 1 1009 93 93 TYR HA H 4.93 0.02 1 1010 93 93 TYR HB2 H 2.88 0.02 2 1011 93 93 TYR HB3 H 2.88 0.02 2 1012 93 93 TYR HD1 H 7.15 0.02 3 1013 93 93 TYR HD2 H 7.15 0.02 3 1014 93 93 TYR HE1 H 6.72 0.02 3 1015 93 93 TYR HE2 H 6.72 0.02 3 1016 93 93 TYR C C 175.7 0.2 1 1017 93 93 TYR CA C 57.4 0.2 1 1018 93 93 TYR CB C 38.5 0.2 1 1019 93 93 TYR CD1 C 132.7 0.2 3 1020 93 93 TYR CD2 C 132.7 0.2 3 1021 93 93 TYR CE1 C 118.6 0.2 3 1022 93 93 TYR CE2 C 118.6 0.2 3 1023 93 93 TYR N N 124.7 0.2 1 1024 94 94 ILE H H 9.00 0.02 1 1025 94 94 ILE HA H 4.51 0.02 1 1026 94 94 ILE HB H 1.70 0.02 1 1027 94 94 ILE HG12 H 0.90 0.02 2 1028 94 94 ILE HG13 H 1.18 0.02 2 1029 94 94 ILE HG2 H 0.78 0.02 1 1030 94 94 ILE HD1 H 0.65 0.02 1 1031 94 94 ILE C C 173.7 0.2 1 1032 94 94 ILE CA C 59.2 0.2 1 1033 94 94 ILE CB C 41.5 0.2 1 1034 94 94 ILE CG1 C 26.9 0.2 1 1035 94 94 ILE CG2 C 17.8 0.2 1 1036 94 94 ILE CD1 C 12.8 0.2 1 1037 94 94 ILE N N 123.1 0.2 1 1038 95 95 ALA H H 8.45 0.02 1 1039 95 95 ALA HA H 4.99 0.02 1 1040 95 95 ALA HB H 1.35 0.02 1 1041 95 95 ALA C C 177.0 0.2 1 1042 95 95 ALA CA C 50.5 0.2 1 1043 95 95 ALA CB C 20.4 0.2 1 1044 95 95 ALA N N 128.0 0.2 1 1045 96 96 GLU H H 8.85 0.02 1 1046 96 96 GLU HA H 4.52 0.02 1 1047 96 96 GLU HB2 H 1.72 0.02 2 1048 96 96 GLU HB3 H 1.91 0.02 2 1049 96 96 GLU HG2 H 2.11 0.02 2 1050 96 96 GLU HG3 H 2.11 0.02 2 1051 96 96 GLU C C 176.0 0.2 1 1052 96 96 GLU CA C 55.5 0.2 1 1053 96 96 GLU CB C 32.8 0.2 1 1054 96 96 GLU CG C 36.5 0.2 1 1055 96 96 GLU N N 122.2 0.2 1 1056 97 97 SER H H 8.65 0.02 1 1057 97 97 SER HA H 4.43 0.02 1 1058 97 97 SER HB2 H 3.85 0.02 2 1059 97 97 SER HB3 H 3.85 0.02 2 1060 97 97 SER C C 174.2 0.2 1 1061 97 97 SER CA C 58.5 0.2 1 1062 97 97 SER CB C 63.8 0.2 1 1063 97 97 SER N N 118.6 0.2 1 1064 98 98 ASP H H 8.50 0.02 1 1065 98 98 ASP HA H 4.67 0.02 1 1066 98 98 ASP HB2 H 2.60 0.02 2 1067 98 98 ASP HB3 H 2.69 0.02 2 1068 98 98 ASP C C 175.5 0.2 1 1069 98 98 ASP CA C 54.4 0.2 1 1070 98 98 ASP CB C 41.4 0.2 1 1071 98 98 ASP N N 123.2 0.2 1 1072 99 99 GLY H H 7.90 0.02 1 1073 99 99 GLY HA2 H 3.71 0.02 2 1074 99 99 GLY HA3 H 3.71 0.02 2 1075 99 99 GLY CA C 46.3 0.2 1 1076 99 99 GLY N N 114.8 0.2 1 stop_ save_