data_15247 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of the Escherichia coli YaeT POTRA domain ; _BMRB_accession_number 15247 _BMRB_flat_file_name bmr15247.str _Entry_type original _Submission_date 2007-05-14 _Accession_date 2007-05-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Construct is composed of the first two POTRA domains of E.coli YaeT (residues 1-155)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Knowles Timothy J. . 2 Bobat Saeeda . . 3 Jeeves Mark . . 4 Henderson Ian R. . 5 Overduin Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 870 "13C chemical shifts" 669 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'correct title add PubMed ID' 2008-10-17 update BMRB 'complete entry citation' 2007-08-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Secondary structure and 1H, 13C and 15N resonance assignments of the Escherichia coli YaeT POTRA domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636842 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Knowles Timothy J. . 2 Bobat Saeeda . . 3 Jeeves Mark . . 4 Henderson Ian R. . 5 Overduin Michael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 113 _Page_last 115 _Year 2007 _Details . loop_ _Keyword 'POTRA domain' 'resonance assignment' 'secondary structure' YaeT stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name POTRA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label POTRA $POTRA stop_ _System_molecular_weight 17967.2 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'OMP insertion and folding' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_POTRA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common POTRA _Molecular_mass 17967.2 _Mol_thiol_state 'not present' loop_ _Biological_function 'OMP protein insertion and folding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; AEGFVVKDIHFEGLQRVAVG AALLSMPVRTGDTVNDEDIS NTIRALFATGNFEDVRVLRD GDTLLVQVKERPTIASITFS GNKSVKDDMLKQNLEASGVR VGESLDRTTIADIEKGLEDF YYSVGKYSASVKAVVTPLPR NRVDLKLVFQEGVSLQHHHH QTAG ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLU 3 GLY 4 PHE 5 VAL 6 VAL 7 LYS 8 ASP 9 ILE 10 HIS 11 PHE 12 GLU 13 GLY 14 LEU 15 GLN 16 ARG 17 VAL 18 ALA 19 VAL 20 GLY 21 ALA 22 ALA 23 LEU 24 LEU 25 SER 26 MET 27 PRO 28 VAL 29 ARG 30 THR 31 GLY 32 ASP 33 THR 34 VAL 35 ASN 36 ASP 37 GLU 38 ASP 39 ILE 40 SER 41 ASN 42 THR 43 ILE 44 ARG 45 ALA 46 LEU 47 PHE 48 ALA 49 THR 50 GLY 51 ASN 52 PHE 53 GLU 54 ASP 55 VAL 56 ARG 57 VAL 58 LEU 59 ARG 60 ASP 61 GLY 62 ASP 63 THR 64 LEU 65 LEU 66 VAL 67 GLN 68 VAL 69 LYS 70 GLU 71 ARG 72 PRO 73 THR 74 ILE 75 ALA 76 SER 77 ILE 78 THR 79 PHE 80 SER 81 GLY 82 ASN 83 LYS 84 SER 85 VAL 86 LYS 87 ASP 88 ASP 89 MET 90 LEU 91 LYS 92 GLN 93 ASN 94 LEU 95 GLU 96 ALA 97 SER 98 GLY 99 VAL 100 ARG 101 VAL 102 GLY 103 GLU 104 SER 105 LEU 106 ASP 107 ARG 108 THR 109 THR 110 ILE 111 ALA 112 ASP 113 ILE 114 GLU 115 LYS 116 GLY 117 LEU 118 GLU 119 ASP 120 PHE 121 TYR 122 TYR 123 SER 124 VAL 125 GLY 126 LYS 127 TYR 128 SER 129 ALA 130 SER 131 VAL 132 LYS 133 ALA 134 VAL 135 VAL 136 THR 137 PRO 138 LEU 139 PRO 140 ARG 141 ASN 142 ARG 143 VAL 144 ASP 145 LEU 146 LYS 147 LEU 148 VAL 149 PHE 150 GLN 151 GLU 152 GLY 153 VAL 154 SER 155 LEU 156 GLN 157 HIS 158 HIS 159 HIS 160 HIS 161 GLN 162 THR 163 ALA 164 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2V9H "Solution Structure Of An Escherichia Coli Yaet Tandem Potra Domain" 100.00 164 100.00 100.00 7.42e-114 DBJ BAA77852 "conserved hypothetical protein [Escherichia coli str. K12 substr. W3110]" 95.12 810 98.72 99.36 4.51e-97 DBJ BAB33602 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 95.12 810 98.72 99.36 4.51e-97 DBJ BAG75700 "conserved hypothetical protein [Escherichia coli SE11]" 95.12 810 98.72 99.36 4.51e-97 DBJ BAI23538 "Omp85 family protein [Escherichia coli O26:H11 str. 11368]" 95.12 810 98.72 99.36 4.51e-97 DBJ BAI29053 "Omp85 family protein [Escherichia coli O103:H2 str. 12009]" 95.12 810 98.72 99.36 4.51e-97 EMBL CAP74746 "Outer membrane protein assembly factor yaet [Escherichia coli LF82]" 95.12 810 98.72 99.36 4.51e-97 EMBL CAQ30691 "BamA, subunit of Outer Membrane Protein Assembly Complex [Escherichia coli BL21(DE3)]" 95.12 810 98.72 99.36 4.51e-97 EMBL CAQ87780 "outer membrane protein assembly factor [Escherichia fergusonii ATCC 35469]" 93.90 802 100.00 100.00 6.22e-97 EMBL CAQ97064 "outer membrane protein assembly factor [Escherichia coli IAI1]" 95.12 810 98.72 99.36 4.51e-97 EMBL CAR01552 "outer membrane protein assembly factor [Escherichia coli S88]" 95.12 810 98.72 99.36 4.51e-97 GB AAB08606 "hypothetical protein [Escherichia coli]" 95.12 810 98.72 99.36 4.51e-97 GB AAC73288 "BamABCDE complex OM biogenesis outer membrane pore-forming assembly factor [Escherichia coli str. K-12 substr. MG1655]" 95.12 810 98.72 99.36 4.51e-97 GB AAD23568 "outer membrane antigen Oma90 [Shigella flexneri]" 95.12 810 98.72 99.36 4.51e-97 GB AAG54479 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 95.12 810 98.72 99.36 4.51e-97 GB AAK64508 "putative outer membrane protein Vpr [Escherichia coli]" 95.12 810 98.08 99.36 2.19e-96 REF NP_308206 "outer membrane protein assembly factor YaeT [Escherichia coli O157:H7 str. Sakai]" 95.12 810 98.72 99.36 4.51e-97 REF NP_414719 "BamABCDE complex OM biogenesis outer membrane pore-forming assembly factor [Escherichia coli str. K-12 substr. MG1655]" 95.12 810 98.72 99.36 4.51e-97 REF NP_706122 "outer membrane protein assembly factor YaeT [Shigella flexneri 2a str. 301]" 95.12 810 98.72 99.36 4.51e-97 REF WP_001240878 "outer membrane protein assembly factor BamA [Escherichia coli]" 95.12 810 98.08 98.72 2.68e-96 REF WP_001240879 "outer membrane protein assembly factor BamA [Shigella dysenteriae]" 95.12 810 98.08 99.36 8.67e-97 SP A1A7M1 "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" 95.12 810 98.72 99.36 4.51e-97 SP A7ZHR7 "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" 95.12 810 98.72 99.36 4.51e-97 SP A7ZWC3 "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" 95.12 810 98.72 99.36 4.51e-97 SP A8ALB1 "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" 95.12 809 97.44 99.36 3.28e-96 SP A9MPI4 "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" 95.12 810 97.44 99.36 4.09e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $POTRA 'E. coli' 562 Bacteria . Escherichia coli MC4100 yaeT 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 $POTRA 'recombinant technology' . Escherichia coli M15pREP4 pQETCH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $POTRA 0.8 mM '[U-99% 13C; U-99% 15N]' MES 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' 'Complete protease inhibitor cocktail' 1 tablet/100ml 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 2003.027.13.05 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2004.194.17.2 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details 'HCN 5mm z-PFG cryogenically-cooled probe with cold 13C and 1H' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'HCN 5mm z-PFG' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(C)CH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 86 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . other . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . other . 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_ _Software_label $SPARKY $NMRPipe stop_ loop_ _Experiment_label '3D HNCA' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name POTRA _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 GLU HA H 4.464 0.002 1 2 2 2 GLU HB2 H 2.167 0.037 2 3 2 2 GLU HB3 H 2.053 0.001 2 4 2 2 GLU HG2 H 2.400 0.005 2 5 2 2 GLU HG3 H 2.400 0.005 2 6 2 2 GLU C C 176.570 0.000 1 7 2 2 GLU CA C 56.622 0.069 1 8 2 2 GLU CB C 30.758 0.058 1 9 2 2 GLU CG C 36.312 0.008 1 10 3 3 GLY H H 8.472 0.005 1 11 3 3 GLY HA2 H 5.172 0.003 2 12 3 3 GLY HA3 H 3.662 0.003 2 13 3 3 GLY C C 172.854 0.000 1 14 3 3 GLY CA C 45.023 0.056 1 15 3 3 GLY N N 110.372 0.019 1 16 4 4 PHE H H 8.526 0.006 1 17 4 4 PHE HA H 5.089 0.006 1 18 4 4 PHE HB2 H 3.093 0.010 2 19 4 4 PHE HB3 H 3.095 0.009 2 20 4 4 PHE HD1 H 7.138 0.006 3 21 4 4 PHE HD2 H 7.139 0.005 3 22 4 4 PHE HE1 H 6.991 0.002 3 23 4 4 PHE HE2 H 6.991 0.003 3 24 4 4 PHE HZ H 6.833 0.005 1 25 4 4 PHE C C 172.500 0.000 1 26 4 4 PHE CA C 55.264 0.034 1 27 4 4 PHE CB C 41.484 0.072 1 28 4 4 PHE CD1 C 132.797 0.008 3 29 4 4 PHE CD2 C 132.795 0.007 3 30 4 4 PHE CE1 C 130.389 0.013 3 31 4 4 PHE CE2 C 130.393 0.012 3 32 4 4 PHE CZ C 128.356 0.065 1 33 4 4 PHE N N 118.877 0.018 1 34 5 5 VAL H H 8.370 0.004 1 35 5 5 VAL HA H 4.262 0.007 1 36 5 5 VAL HB H 1.898 0.005 1 37 5 5 VAL HG1 H 0.948 0.004 2 38 5 5 VAL HG2 H 0.673 0.006 2 39 5 5 VAL C C 176.165 0.000 1 40 5 5 VAL CA C 61.924 0.096 1 41 5 5 VAL CB C 31.983 0.026 1 42 5 5 VAL CG1 C 21.299 0.070 2 43 5 5 VAL CG2 C 20.799 0.059 2 44 5 5 VAL N N 122.822 0.051 1 45 6 6 VAL H H 8.354 0.005 1 46 6 6 VAL HA H 3.904 0.003 1 47 6 6 VAL HB H 1.989 0.007 1 48 6 6 VAL HG1 H 0.827 0.004 2 49 6 6 VAL HG2 H 0.740 0.006 2 50 6 6 VAL C C 176.798 0.000 1 51 6 6 VAL CA C 62.617 0.025 1 52 6 6 VAL CB C 32.342 0.065 1 53 6 6 VAL CG1 C 22.925 0.015 2 54 6 6 VAL CG2 C 23.844 0.083 2 55 6 6 VAL N N 127.641 0.017 1 56 7 7 LYS H H 9.231 0.003 1 57 7 7 LYS HA H 4.443 0.006 1 58 7 7 LYS HB2 H 1.846 0.008 2 59 7 7 LYS HB3 H 1.855 0.012 2 60 7 7 LYS HD2 H 1.724 0.011 2 61 7 7 LYS HD3 H 1.724 0.005 2 62 7 7 LYS HE2 H 3.037 0.002 2 63 7 7 LYS HE3 H 3.037 0.005 2 64 7 7 LYS HG2 H 1.472 0.010 2 65 7 7 LYS HG3 H 1.641 0.006 2 66 7 7 LYS C C 175.759 0.000 1 67 7 7 LYS CA C 57.047 0.071 1 68 7 7 LYS CB C 33.164 0.037 1 69 7 7 LYS CD C 28.863 0.056 1 70 7 7 LYS CE C 42.223 0.000 1 71 7 7 LYS CG C 25.348 0.041 1 72 7 7 LYS N N 129.412 0.017 1 73 8 8 ASP H H 7.560 0.003 1 74 8 8 ASP HA H 5.118 0.002 1 75 8 8 ASP HB2 H 2.555 0.006 2 76 8 8 ASP HB3 H 2.466 0.004 2 77 8 8 ASP C C 173.428 0.000 1 78 8 8 ASP CA C 53.411 0.125 1 79 8 8 ASP CB C 43.712 0.009 1 80 8 8 ASP N N 114.851 0.021 1 81 9 9 ILE H H 8.309 0.005 1 82 9 9 ILE HA H 4.781 0.004 1 83 9 9 ILE HB H 1.548 0.003 1 84 9 9 ILE HD1 H 0.749 0.006 1 85 9 9 ILE HG12 H 1.510 0.005 2 86 9 9 ILE HG13 H 0.731 0.002 2 87 9 9 ILE HG2 H 0.430 0.007 1 88 9 9 ILE C C 174.363 0.000 1 89 9 9 ILE CA C 60.909 0.070 1 90 9 9 ILE CB C 40.872 0.038 1 91 9 9 ILE CD1 C 13.858 0.000 1 92 9 9 ILE CG1 C 28.475 0.013 1 93 9 9 ILE CG2 C 17.971 0.013 1 94 9 9 ILE N N 121.533 0.021 1 95 10 10 HIS H H 8.855 0.002 1 96 10 10 HIS HA H 5.150 0.002 1 97 10 10 HIS HB2 H 3.165 0.006 2 98 10 10 HIS HB3 H 2.996 0.007 2 99 10 10 HIS HD2 H 7.005 0.003 1 100 10 10 HIS HE1 H 7.416 0.001 1 101 10 10 HIS C C 172.476 0.000 1 102 10 10 HIS CA C 53.117 0.060 1 103 10 10 HIS CB C 32.397 0.058 1 104 10 10 HIS CD2 C 118.822 0.008 1 105 10 10 HIS CE1 C 132.193 0.010 1 106 10 10 HIS N N 125.642 0.018 1 107 11 11 PHE H H 8.882 0.004 1 108 11 11 PHE HA H 5.498 0.002 1 109 11 11 PHE HB2 H 2.937 0.004 2 110 11 11 PHE HB3 H 2.697 0.004 2 111 11 11 PHE HD1 H 7.049 0.001 3 112 11 11 PHE HD2 H 7.050 0.001 3 113 11 11 PHE C C 176.308 0.000 1 114 11 11 PHE CA C 57.189 0.041 1 115 11 11 PHE CB C 43.435 0.046 1 116 11 11 PHE CD1 C 131.620 0.001 3 117 11 11 PHE CD2 C 131.635 0.015 3 118 11 11 PHE N N 121.702 0.014 1 119 12 12 GLU H H 9.276 0.003 1 120 12 12 GLU HA H 4.256 0.004 1 121 12 12 GLU HB2 H 1.974 0.004 2 122 12 12 GLU HB3 H 1.878 0.004 2 123 12 12 GLU HG2 H 2.285 0.004 2 124 12 12 GLU HG3 H 2.283 0.007 2 125 12 12 GLU C C 175.583 0.000 1 126 12 12 GLU CA C 55.811 0.104 1 127 12 12 GLU CB C 29.378 0.023 1 128 12 12 GLU CG C 33.769 0.066 1 129 12 12 GLU N N 122.288 0.015 1 130 13 13 GLY H H 8.542 0.003 1 131 13 13 GLY HA2 H 4.453 0.001 2 132 13 13 GLY HA3 H 3.873 0.001 2 133 13 13 GLY C C 174.725 0.000 1 134 13 13 GLY CA C 45.039 0.060 1 135 13 13 GLY N N 110.865 0.017 1 136 14 14 LEU H H 7.652 0.005 1 137 14 14 LEU HA H 4.483 0.007 1 138 14 14 LEU HB2 H 1.883 0.003 2 139 14 14 LEU HB3 H 1.657 0.008 2 140 14 14 LEU HD1 H 0.776 0.005 2 141 14 14 LEU HD2 H 0.389 0.006 2 142 14 14 LEU HG H 1.418 0.007 1 143 14 14 LEU C C 178.447 0.000 1 144 14 14 LEU CA C 55.311 0.037 1 145 14 14 LEU CB C 40.521 0.009 1 146 14 14 LEU CD1 C 22.803 0.000 2 147 14 14 LEU CD2 C 26.063 0.004 2 148 14 14 LEU CG C 26.881 0.000 1 149 14 14 LEU N N 118.886 0.027 1 150 15 15 GLN H H 9.995 0.004 1 151 15 15 GLN HA H 4.338 0.003 1 152 15 15 GLN HB2 H 2.121 0.007 2 153 15 15 GLN HB3 H 2.137 0.005 2 154 15 15 GLN HE21 H 7.560 0.001 2 155 15 15 GLN HE22 H 6.746 0.001 2 156 15 15 GLN HG2 H 2.306 0.008 2 157 15 15 GLN HG3 H 2.260 0.005 2 158 15 15 GLN C C 175.279 0.000 1 159 15 15 GLN CA C 58.684 0.049 1 160 15 15 GLN CB C 31.759 0.105 1 161 15 15 GLN CG C 34.076 0.130 1 162 15 15 GLN N N 124.750 0.010 1 163 15 15 GLN NE2 N 111.123 0.018 1 164 16 16 ARG H H 11.498 0.008 1 165 16 16 ARG HA H 4.248 0.007 1 166 16 16 ARG HB2 H 1.855 0.004 2 167 16 16 ARG HB3 H 1.853 0.004 2 168 16 16 ARG HD2 H 3.316 0.001 2 169 16 16 ARG HD3 H 3.200 0.003 2 170 16 16 ARG HG2 H 1.677 0.003 2 171 16 16 ARG HG3 H 1.572 0.004 2 172 16 16 ARG C C 177.635 0.000 1 173 16 16 ARG CA C 58.264 0.018 1 174 16 16 ARG CB C 31.120 0.013 1 175 16 16 ARG CD C 43.268 0.000 1 176 16 16 ARG CG C 27.720 0.000 1 177 16 16 ARG N N 127.176 0.005 1 178 17 17 VAL H H 8.818 0.004 1 179 17 17 VAL HA H 3.710 0.002 1 180 17 17 VAL HB H 2.302 0.006 1 181 17 17 VAL HG1 H 0.938 0.006 2 182 17 17 VAL HG2 H 0.654 0.004 2 183 17 17 VAL C C 174.895 0.000 1 184 17 17 VAL CA C 62.771 0.040 1 185 17 17 VAL CB C 31.472 0.046 1 186 17 17 VAL CG1 C 20.980 0.112 2 187 17 17 VAL CG2 C 21.917 0.001 2 188 17 17 VAL N N 123.968 0.064 1 189 18 18 ALA H H 8.326 0.004 1 190 18 18 ALA HA H 4.303 0.000 1 191 18 18 ALA HB H 1.504 0.002 1 192 18 18 ALA C C 178.734 0.000 1 193 18 18 ALA CA C 51.583 0.026 1 194 18 18 ALA CB C 19.509 0.101 1 195 18 18 ALA N N 129.391 0.016 1 196 19 19 VAL H H 8.619 0.005 1 197 19 19 VAL HA H 3.170 0.003 1 198 19 19 VAL HB H 1.935 0.004 1 199 19 19 VAL HG1 H 0.959 0.006 2 200 19 19 VAL HG2 H 0.957 0.006 2 201 19 19 VAL C C 177.350 0.000 1 202 19 19 VAL CA C 66.200 0.028 1 203 19 19 VAL CB C 31.640 0.054 1 204 19 19 VAL CG1 C 22.839 0.032 2 205 19 19 VAL CG2 C 20.331 0.034 2 206 19 19 VAL N N 123.355 0.017 1 207 20 20 GLY H H 8.613 0.004 1 208 20 20 GLY HA2 H 3.825 0.004 2 209 20 20 GLY HA3 H 3.792 0.001 2 210 20 20 GLY C C 176.220 0.000 1 211 20 20 GLY CA C 47.061 0.039 1 212 20 20 GLY N N 104.664 0.035 1 213 21 21 ALA H H 6.827 0.002 1 214 21 21 ALA HA H 4.221 0.001 1 215 21 21 ALA HB H 1.533 0.004 1 216 21 21 ALA C C 180.396 0.000 1 217 21 21 ALA CA C 54.277 0.030 1 218 21 21 ALA CB C 18.566 0.044 1 219 21 21 ALA N N 122.148 0.010 1 220 22 22 ALA H H 7.954 0.003 1 221 22 22 ALA HA H 3.993 0.000 1 222 22 22 ALA HB H 1.006 0.003 1 223 22 22 ALA C C 180.088 0.000 1 224 22 22 ALA CA C 55.417 0.062 1 225 22 22 ALA CB C 17.810 0.108 1 226 22 22 ALA N N 123.320 0.017 1 227 23 23 LEU H H 8.510 0.003 1 228 23 23 LEU HA H 4.324 0.003 1 229 23 23 LEU HB2 H 1.919 0.005 2 230 23 23 LEU HB3 H 1.599 0.004 2 231 23 23 LEU HD1 H 1.181 0.004 2 232 23 23 LEU HD2 H 1.062 0.004 2 233 23 23 LEU HG H 1.924 0.006 1 234 23 23 LEU C C 180.499 0.000 1 235 23 23 LEU CA C 58.282 0.051 1 236 23 23 LEU CB C 42.588 0.055 1 237 23 23 LEU CD1 C 23.931 0.019 2 238 23 23 LEU CD2 C 25.750 0.000 2 239 23 23 LEU CG C 27.183 0.032 1 240 23 23 LEU N N 117.149 0.030 1 241 24 24 LEU H H 7.494 0.002 1 242 24 24 LEU HA H 4.241 0.002 1 243 24 24 LEU HB2 H 1.880 0.003 2 244 24 24 LEU HB3 H 1.696 0.004 2 245 24 24 LEU HD1 H 0.944 0.003 2 246 24 24 LEU HD2 H 0.938 0.006 2 247 24 24 LEU HG H 1.881 0.004 1 248 24 24 LEU C C 178.754 0.000 1 249 24 24 LEU CA C 57.122 0.076 1 250 24 24 LEU CB C 42.141 0.064 1 251 24 24 LEU CD1 C 24.813 0.016 2 252 24 24 LEU CD2 C 23.527 0.030 2 253 24 24 LEU CG C 26.993 0.008 1 254 24 24 LEU N N 117.618 0.023 1 255 25 25 SER H H 7.544 0.003 1 256 25 25 SER HA H 4.463 0.002 1 257 25 25 SER HB2 H 3.994 0.007 2 258 25 25 SER HB3 H 3.943 0.005 2 259 25 25 SER C C 173.810 0.000 1 260 25 25 SER CA C 59.660 0.035 1 261 25 25 SER CB C 64.375 0.019 1 262 25 25 SER N N 113.122 0.070 1 263 26 26 MET H H 7.561 0.003 1 264 26 26 MET HA H 4.654 0.006 1 265 26 26 MET HB2 H 2.471 0.009 2 266 26 26 MET HB3 H 2.224 0.005 2 267 26 26 MET HG2 H 3.143 0.003 2 268 26 26 MET HG3 H 2.654 0.002 2 269 26 26 MET CA C 53.610 0.037 1 270 26 26 MET CB C 34.833 0.041 1 271 26 26 MET CG C 31.801 0.067 1 272 26 26 MET N N 119.530 0.014 1 273 27 27 PRO HA H 4.733 0.003 1 274 27 27 PRO HB2 H 2.242 0.009 2 275 27 27 PRO HB3 H 2.232 0.005 2 276 27 27 PRO HD2 H 3.900 0.003 2 277 27 27 PRO HD3 H 3.902 0.002 2 278 27 27 PRO HG2 H 2.013 0.006 2 279 27 27 PRO HG3 H 1.945 0.004 2 280 27 27 PRO C C 175.401 0.000 1 281 27 27 PRO CA C 63.333 0.013 1 282 27 27 PRO CB C 31.256 0.014 1 283 27 27 PRO CD C 50.502 0.000 1 284 27 27 PRO CG C 26.768 0.000 1 285 28 28 VAL H H 6.576 0.001 1 286 28 28 VAL HA H 4.541 0.004 1 287 28 28 VAL HB H 1.827 0.005 1 288 28 28 VAL HG1 H 0.805 0.005 2 289 28 28 VAL HG2 H 0.685 0.004 2 290 28 28 VAL C C 173.049 0.000 1 291 28 28 VAL CA C 59.326 0.037 1 292 28 28 VAL CB C 35.305 0.087 1 293 28 28 VAL CG1 C 22.294 0.047 2 294 28 28 VAL CG2 C 19.212 0.016 2 295 28 28 VAL N N 112.362 0.034 1 296 29 29 ARG H H 8.675 0.002 1 297 29 29 ARG HA H 4.599 0.008 1 298 29 29 ARG HB2 H 1.845 0.005 2 299 29 29 ARG HB3 H 1.705 0.004 2 300 29 29 ARG HD2 H 3.261 0.004 2 301 29 29 ARG HD3 H 3.197 0.004 2 302 29 29 ARG HG2 H 1.658 0.003 2 303 29 29 ARG HG3 H 1.550 0.002 2 304 29 29 ARG C C 175.432 0.000 1 305 29 29 ARG CA C 53.324 0.068 1 306 29 29 ARG CB C 33.742 0.015 1 307 29 29 ARG CD C 43.206 0.000 1 308 29 29 ARG CG C 26.200 0.011 1 309 29 29 ARG N N 121.237 0.021 1 310 30 30 THR H H 8.226 0.004 1 311 30 30 THR HA H 3.616 0.005 1 312 30 30 THR HB H 4.034 0.003 1 313 30 30 THR HG2 H 1.194 0.003 1 314 30 30 THR C C 175.514 0.000 1 315 30 30 THR CA C 65.261 0.026 1 316 30 30 THR CB C 68.321 0.073 1 317 30 30 THR CG2 C 22.919 0.000 1 318 30 30 THR N N 114.662 0.049 1 319 31 31 GLY H H 9.229 0.004 1 320 31 31 GLY HA2 H 4.449 0.001 2 321 31 31 GLY HA3 H 3.478 0.001 2 322 31 31 GLY C C 174.261 0.000 1 323 31 31 GLY CA C 44.792 0.058 1 324 31 31 GLY N N 115.188 0.020 1 325 32 32 ASP H H 7.985 0.004 1 326 32 32 ASP HA H 4.648 0.006 1 327 32 32 ASP HB2 H 2.776 0.006 2 328 32 32 ASP HB3 H 2.536 0.003 2 329 32 32 ASP C C 175.475 0.000 1 330 32 32 ASP CA C 54.708 0.066 1 331 32 32 ASP CB C 41.366 0.063 1 332 32 32 ASP N N 121.815 0.018 1 333 33 33 THR H H 8.473 0.006 1 334 33 33 THR HA H 4.603 0.006 1 335 33 33 THR HB H 3.953 0.010 1 336 33 33 THR HG2 H 0.954 0.001 1 337 33 33 THR C C 174.553 0.000 1 338 33 33 THR CA C 62.718 0.031 1 339 33 33 THR CB C 68.876 0.033 1 340 33 33 THR N N 117.038 0.021 1 341 34 34 VAL H H 8.816 0.002 1 342 34 34 VAL HA H 4.718 0.003 1 343 34 34 VAL HB H 1.687 0.005 1 344 34 34 VAL HG1 H 0.742 0.004 2 345 34 34 VAL HG2 H 0.405 0.005 2 346 34 34 VAL C C 174.152 0.000 1 347 34 34 VAL CA C 59.797 0.034 1 348 34 34 VAL CB C 34.854 0.024 1 349 34 34 VAL CG1 C 22.500 0.006 2 350 34 34 VAL CG2 C 21.338 0.064 2 351 34 34 VAL N N 124.153 0.057 1 352 35 35 ASN H H 9.326 0.002 1 353 35 35 ASN HA H 5.178 0.001 1 354 35 35 ASN HB2 H 3.216 0.007 2 355 35 35 ASN HB3 H 2.883 0.006 2 356 35 35 ASN HD21 H 7.524 0.002 2 357 35 35 ASN HD22 H 6.926 0.001 2 358 35 35 ASN C C 176.387 0.000 1 359 35 35 ASN CA C 50.974 0.033 1 360 35 35 ASN CB C 41.208 0.032 1 361 35 35 ASN N N 122.824 0.025 1 362 35 35 ASN ND2 N 111.607 0.049 1 363 36 36 ASP H H 8.596 0.004 1 364 36 36 ASP HA H 4.401 0.008 1 365 36 36 ASP HB2 H 2.756 0.003 2 366 36 36 ASP HB3 H 2.691 0.004 2 367 36 36 ASP C C 179.204 0.000 1 368 36 36 ASP CA C 58.434 0.018 1 369 36 36 ASP CB C 40.638 0.042 1 370 36 36 ASP N N 118.081 0.021 1 371 37 37 GLU H H 8.545 0.002 1 372 37 37 GLU HA H 4.200 0.003 1 373 37 37 GLU HB2 H 2.128 0.009 2 374 37 37 GLU HB3 H 2.120 0.007 2 375 37 37 GLU HG2 H 2.336 0.004 2 376 37 37 GLU HG3 H 2.334 0.005 2 377 37 37 GLU C C 178.717 0.000 1 378 37 37 GLU CA C 59.378 0.106 1 379 37 37 GLU CB C 28.923 0.064 1 380 37 37 GLU CG C 36.358 0.014 1 381 37 37 GLU N N 121.462 0.038 1 382 38 38 ASP H H 7.972 0.004 1 383 38 38 ASP HA H 4.541 0.004 1 384 38 38 ASP HB2 H 3.070 0.006 2 385 38 38 ASP HB3 H 2.565 0.003 2 386 38 38 ASP C C 180.390 0.000 1 387 38 38 ASP CA C 57.534 0.055 1 388 38 38 ASP CB C 41.606 0.047 1 389 38 38 ASP N N 119.156 0.028 1 390 39 39 ILE H H 8.072 0.004 1 391 39 39 ILE HA H 3.514 0.003 1 392 39 39 ILE HB H 2.228 0.006 1 393 39 39 ILE HD1 H 0.864 0.005 1 394 39 39 ILE HG12 H 1.751 0.005 2 395 39 39 ILE HG13 H 0.968 0.006 2 396 39 39 ILE HG2 H 0.939 0.005 1 397 39 39 ILE C C 177.817 0.000 1 398 39 39 ILE CA C 66.489 0.059 1 399 39 39 ILE CB C 36.934 0.038 1 400 39 39 ILE CD1 C 12.125 0.001 1 401 39 39 ILE CG1 C 29.540 0.019 1 402 39 39 ILE CG2 C 17.095 0.011 1 403 39 39 ILE N N 122.991 0.036 1 404 40 40 SER H H 8.195 0.003 1 405 40 40 SER HA H 4.105 0.001 1 406 40 40 SER HB2 H 4.296 0.004 2 407 40 40 SER HB3 H 4.295 0.005 2 408 40 40 SER C C 177.769 0.000 1 409 40 40 SER CA C 62.430 0.060 1 410 40 40 SER CB C 62.441 0.000 1 411 40 40 SER N N 116.709 0.014 1 412 41 41 ASN H H 8.681 0.003 1 413 41 41 ASN HA H 4.627 0.001 1 414 41 41 ASN HB2 H 3.144 0.001 2 415 41 41 ASN HB3 H 2.954 0.002 2 416 41 41 ASN HD21 H 8.165 0.000 2 417 41 41 ASN HD22 H 7.167 0.002 2 418 41 41 ASN C C 178.016 0.000 1 419 41 41 ASN CA C 55.877 0.097 1 420 41 41 ASN CB C 38.015 0.064 1 421 41 41 ASN N N 119.724 0.018 1 422 41 41 ASN ND2 N 112.840 0.049 1 423 42 42 THR H H 8.269 0.003 1 424 42 42 THR HA H 4.292 0.005 1 425 42 42 THR HB H 3.620 0.006 1 426 42 42 THR HG2 H 1.355 0.004 1 427 42 42 THR C C 175.211 0.000 1 428 42 42 THR CA C 68.538 0.106 1 429 42 42 THR CB C 63.334 0.019 1 430 42 42 THR CG2 C 22.281 0.000 1 431 42 42 THR N N 120.862 0.018 1 432 43 43 ILE H H 8.074 0.003 1 433 43 43 ILE HA H 3.476 0.003 1 434 43 43 ILE HB H 2.105 0.005 1 435 43 43 ILE HD1 H 1.112 0.006 1 436 43 43 ILE HG12 H 1.875 0.007 2 437 43 43 ILE HG13 H 0.768 0.004 2 438 43 43 ILE HG2 H 1.140 0.003 1 439 43 43 ILE C C 177.766 0.000 1 440 43 43 ILE CA C 66.672 0.076 1 441 43 43 ILE CB C 39.180 0.045 1 442 43 43 ILE CD1 C 14.665 0.009 1 443 43 43 ILE CG1 C 30.588 0.000 1 444 43 43 ILE CG2 C 17.534 0.004 1 445 43 43 ILE N N 122.875 0.062 1 446 44 44 ARG H H 7.884 0.003 1 447 44 44 ARG HA H 4.252 0.004 1 448 44 44 ARG HB2 H 2.077 0.015 2 449 44 44 ARG HB3 H 2.078 0.017 2 450 44 44 ARG HD2 H 3.356 0.004 2 451 44 44 ARG HD3 H 3.355 0.005 2 452 44 44 ARG HG2 H 1.953 0.005 2 453 44 44 ARG HG3 H 1.769 0.006 2 454 44 44 ARG C C 179.367 0.000 1 455 44 44 ARG CA C 60.185 0.088 1 456 44 44 ARG CB C 30.368 0.077 1 457 44 44 ARG CD C 43.512 0.033 1 458 44 44 ARG CG C 27.661 0.020 1 459 44 44 ARG N N 117.579 0.043 1 460 45 45 ALA H H 8.438 0.003 1 461 45 45 ALA HA H 4.292 0.002 1 462 45 45 ALA HB H 1.741 0.003 1 463 45 45 ALA C C 181.043 0.000 1 464 45 45 ALA CA C 55.261 0.083 1 465 45 45 ALA CB C 18.827 0.069 1 466 45 45 ALA N N 122.563 0.033 1 467 46 46 LEU H H 8.381 0.005 1 468 46 46 LEU HA H 4.464 0.002 1 469 46 46 LEU HB2 H 2.070 0.005 2 470 46 46 LEU HB3 H 1.259 0.006 2 471 46 46 LEU HD1 H 1.018 0.006 2 472 46 46 LEU HD2 H 0.744 0.004 2 473 46 46 LEU HG H 1.893 0.003 1 474 46 46 LEU C C 181.338 0.000 1 475 46 46 LEU CA C 58.006 0.036 1 476 46 46 LEU CB C 42.168 0.028 1 477 46 46 LEU CD1 C 22.887 0.047 2 478 46 46 LEU CD2 C 27.052 0.008 2 479 46 46 LEU CG C 28.252 0.001 1 480 46 46 LEU N N 117.955 0.019 1 481 47 47 PHE H H 9.103 0.003 1 482 47 47 PHE HA H 4.644 0.002 1 483 47 47 PHE HB2 H 3.333 0.002 2 484 47 47 PHE HB3 H 3.291 0.004 2 485 47 47 PHE HD1 H 7.385 0.003 3 486 47 47 PHE HD2 H 7.388 0.001 3 487 47 47 PHE HE1 H 7.579 0.007 3 488 47 47 PHE HE2 H 7.581 0.004 3 489 47 47 PHE C C 180.208 0.000 1 490 47 47 PHE CA C 62.839 0.046 1 491 47 47 PHE CB C 38.962 0.044 1 492 47 47 PHE CD1 C 131.779 0.020 3 493 47 47 PHE CD2 C 131.773 0.015 3 494 47 47 PHE CE1 C 130.015 0.013 3 495 47 47 PHE CE2 C 130.007 0.007 3 496 47 47 PHE N N 122.561 0.023 1 497 48 48 ALA H H 8.490 0.002 1 498 48 48 ALA HA H 4.384 0.002 1 499 48 48 ALA HB H 1.706 0.002 1 500 48 48 ALA C C 178.346 0.000 1 501 48 48 ALA CA C 54.382 0.053 1 502 48 48 ALA CB C 18.095 0.053 1 503 48 48 ALA N N 121.843 0.022 1 504 49 49 THR H H 7.502 0.003 1 505 49 49 THR HA H 4.267 0.004 1 506 49 49 THR HB H 4.298 0.004 1 507 49 49 THR HG2 H 1.779 0.005 1 508 49 49 THR C C 176.346 0.000 1 509 49 49 THR CA C 64.002 0.037 1 510 49 49 THR CB C 71.246 0.101 1 511 49 49 THR N N 107.264 0.046 1 512 50 50 GLY H H 7.619 0.004 1 513 50 50 GLY HA2 H 4.164 0.001 2 514 50 50 GLY HA3 H 3.882 0.004 2 515 50 50 GLY C C 174.563 0.000 1 516 50 50 GLY CA C 46.082 0.045 1 517 50 50 GLY N N 106.962 0.039 1 518 51 51 ASN H H 7.145 0.002 1 519 51 51 ASN HA H 4.464 0.006 1 520 51 51 ASN HB2 H 1.671 0.009 2 521 51 51 ASN HB3 H 0.837 0.009 2 522 51 51 ASN HD21 H 7.241 0.000 2 523 51 51 ASN HD22 H 6.529 0.000 2 524 51 51 ASN C C 176.636 0.000 1 525 51 51 ASN CA C 54.403 0.053 1 526 51 51 ASN CB C 40.016 0.054 1 527 51 51 ASN N N 112.362 0.037 1 528 51 51 ASN ND2 N 113.316 0.040 1 529 52 52 PHE H H 8.740 0.004 1 530 52 52 PHE HA H 5.413 0.005 1 531 52 52 PHE HB2 H 3.283 0.002 2 532 52 52 PHE HB3 H 2.401 0.009 2 533 52 52 PHE HD1 H 6.998 0.003 3 534 52 52 PHE HD2 H 6.999 0.004 3 535 52 52 PHE HE1 H 7.343 0.002 3 536 52 52 PHE HE2 H 7.345 0.002 3 537 52 52 PHE HZ H 7.074 0.000 1 538 52 52 PHE C C 174.827 0.000 1 539 52 52 PHE CA C 57.043 0.028 1 540 52 52 PHE CB C 42.568 0.005 1 541 52 52 PHE CD1 C 132.225 0.030 3 542 52 52 PHE CD2 C 132.196 0.018 3 543 52 52 PHE CE1 C 131.619 0.051 3 544 52 52 PHE CE2 C 131.617 0.048 3 545 52 52 PHE CZ C 128.816 0.020 1 546 52 52 PHE N N 117.813 0.026 1 547 53 53 GLU H H 9.535 0.003 1 548 53 53 GLU HA H 4.712 0.004 1 549 53 53 GLU HB2 H 2.093 0.003 2 550 53 53 GLU HB3 H 2.058 0.006 2 551 53 53 GLU HG2 H 2.331 0.003 2 552 53 53 GLU HG3 H 2.331 0.005 2 553 53 53 GLU C C 175.752 0.000 1 554 53 53 GLU CA C 56.760 0.088 1 555 53 53 GLU CB C 32.144 0.057 1 556 53 53 GLU CG C 37.004 0.000 1 557 53 53 GLU N N 122.071 0.024 1 558 54 54 ASP H H 7.689 0.003 1 559 54 54 ASP HA H 5.141 0.004 1 560 54 54 ASP HB2 H 2.737 0.007 2 561 54 54 ASP HB3 H 2.515 0.002 2 562 54 54 ASP C C 173.955 0.000 1 563 54 54 ASP CA C 54.333 0.045 1 564 54 54 ASP CB C 45.202 0.043 1 565 54 54 ASP N N 116.208 0.043 1 566 55 55 VAL H H 7.673 0.002 1 567 55 55 VAL HA H 4.251 0.004 1 568 55 55 VAL HB H 1.560 0.003 1 569 55 55 VAL HG1 H 0.621 0.007 2 570 55 55 VAL HG2 H 0.149 0.004 2 571 55 55 VAL C C 172.969 0.000 1 572 55 55 VAL CA C 62.280 0.028 1 573 55 55 VAL CB C 36.092 0.011 1 574 55 55 VAL CG1 C 22.628 0.010 2 575 55 55 VAL CG2 C 20.932 0.010 2 576 55 55 VAL N N 122.892 0.009 1 577 56 56 ARG H H 8.956 0.002 1 578 56 56 ARG HA H 4.616 0.004 1 579 56 56 ARG HB2 H 1.801 0.006 2 580 56 56 ARG HB3 H 1.763 0.006 2 581 56 56 ARG HD2 H 3.272 0.003 2 582 56 56 ARG HD3 H 3.192 0.005 2 583 56 56 ARG HG2 H 1.637 0.006 2 584 56 56 ARG HG3 H 1.592 0.007 2 585 56 56 ARG C C 174.248 0.000 1 586 56 56 ARG CA C 54.737 0.073 1 587 56 56 ARG CB C 33.432 0.020 1 588 56 56 ARG CD C 43.566 0.000 1 589 56 56 ARG CG C 27.244 0.018 1 590 56 56 ARG N N 126.213 0.022 1 591 57 57 VAL H H 7.945 0.003 1 592 57 57 VAL HA H 4.998 0.004 1 593 57 57 VAL HB H 1.815 0.003 1 594 57 57 VAL HG1 H 0.811 0.004 2 595 57 57 VAL HG2 H 0.763 0.003 2 596 57 57 VAL C C 173.527 0.000 1 597 57 57 VAL CA C 61.039 0.036 1 598 57 57 VAL CB C 33.999 0.057 1 599 57 57 VAL CG1 C 22.541 0.000 2 600 57 57 VAL CG2 C 22.541 0.000 2 601 57 57 VAL N N 121.638 0.021 1 602 58 58 LEU H H 9.280 0.003 1 603 58 58 LEU HA H 4.706 0.004 1 604 58 58 LEU HB2 H 1.623 0.003 2 605 58 58 LEU HB3 H 1.581 0.004 2 606 58 58 LEU HD1 H 0.830 0.003 2 607 58 58 LEU HD2 H 0.804 0.003 2 608 58 58 LEU HG H 1.513 0.003 1 609 58 58 LEU C C 174.782 0.000 1 610 58 58 LEU CA C 53.724 0.036 1 611 58 58 LEU CB C 45.074 0.028 1 612 58 58 LEU CD1 C 24.727 0.000 2 613 58 58 LEU CD2 C 25.357 0.000 2 614 58 58 LEU CG C 27.311 0.003 1 615 58 58 LEU N N 126.918 0.030 1 616 59 59 ARG H H 8.514 0.004 1 617 59 59 ARG HA H 4.555 0.006 1 618 59 59 ARG HB2 H 1.583 0.004 2 619 59 59 ARG HB3 H 1.354 0.005 2 620 59 59 ARG HD2 H 2.654 0.004 2 621 59 59 ARG HD3 H 2.290 0.005 2 622 59 59 ARG HG2 H 1.137 0.006 2 623 59 59 ARG HG3 H 0.805 0.006 2 624 59 59 ARG C C 175.362 0.000 1 625 59 59 ARG CA C 55.924 0.027 1 626 59 59 ARG CB C 31.199 0.033 1 627 59 59 ARG CD C 43.757 0.000 1 628 59 59 ARG CG C 26.599 0.000 1 629 59 59 ARG N N 121.029 0.004 1 630 60 60 ASP H H 8.719 0.003 1 631 60 60 ASP HA H 4.783 0.001 1 632 60 60 ASP HB2 H 2.570 0.007 2 633 60 60 ASP HB3 H 2.245 0.007 2 634 60 60 ASP C C 176.321 0.000 1 635 60 60 ASP CA C 52.794 0.047 1 636 60 60 ASP CB C 42.024 0.069 1 637 60 60 ASP N N 127.926 0.032 1 638 61 61 GLY H H 8.890 0.005 1 639 61 61 GLY HA2 H 4.040 0.005 2 640 61 61 GLY HA3 H 3.546 0.001 2 641 61 61 GLY C C 173.758 0.000 1 642 61 61 GLY CA C 47.615 0.059 1 643 61 61 GLY N N 116.227 0.026 1 644 62 62 ASP H H 8.781 0.005 1 645 62 62 ASP HA H 4.945 0.005 1 646 62 62 ASP HB2 H 3.214 0.010 2 647 62 62 ASP HB3 H 2.761 0.005 2 648 62 62 ASP C C 174.396 0.000 1 649 62 62 ASP CA C 54.134 0.070 1 650 62 62 ASP CB C 41.313 0.037 1 651 62 62 ASP N N 128.096 0.012 1 652 63 63 THR H H 8.133 0.003 1 653 63 63 THR HA H 4.937 0.004 1 654 63 63 THR HB H 4.255 0.007 1 655 63 63 THR HG2 H 0.966 0.000 1 656 63 63 THR C C 173.306 0.000 1 657 63 63 THR CA C 61.297 0.091 1 658 63 63 THR CB C 71.165 0.074 1 659 63 63 THR N N 115.740 0.047 1 660 64 64 LEU H H 8.382 0.003 1 661 64 64 LEU HA H 4.899 0.004 1 662 64 64 LEU HB2 H 1.522 0.004 2 663 64 64 LEU HB3 H 1.479 0.005 2 664 64 64 LEU HD1 H 0.751 0.003 2 665 64 64 LEU HD2 H 0.725 0.003 2 666 64 64 LEU HG H 1.505 0.003 1 667 64 64 LEU C C 173.211 0.000 1 668 64 64 LEU CA C 53.675 0.015 1 669 64 64 LEU CB C 44.599 0.072 1 670 64 64 LEU CD1 C 24.947 0.021 2 671 64 64 LEU CD2 C 24.975 0.026 2 672 64 64 LEU CG C 26.780 0.002 1 673 64 64 LEU N N 123.473 0.027 1 674 65 65 LEU H H 9.097 0.003 1 675 65 65 LEU HA H 4.769 0.004 1 676 65 65 LEU HB2 H 1.682 0.006 2 677 65 65 LEU HB3 H 1.328 0.005 2 678 65 65 LEU HD1 H 0.815 0.005 2 679 65 65 LEU HD2 H 0.799 0.003 2 680 65 65 LEU HG H 1.297 0.003 1 681 65 65 LEU C C 174.203 0.000 1 682 65 65 LEU CA C 53.477 0.102 1 683 65 65 LEU CB C 43.590 0.041 1 684 65 65 LEU CD1 C 25.344 0.013 2 685 65 65 LEU CD2 C 23.310 0.027 2 686 65 65 LEU CG C 27.610 0.000 1 687 65 65 LEU N N 128.889 0.004 1 688 66 66 VAL H H 8.808 0.003 1 689 66 66 VAL HA H 4.488 0.005 1 690 66 66 VAL HB H 1.400 0.005 1 691 66 66 VAL HG1 H 0.569 0.003 2 692 66 66 VAL HG2 H 0.376 0.004 2 693 66 66 VAL C C 174.563 0.000 1 694 66 66 VAL CA C 60.890 0.035 1 695 66 66 VAL CB C 31.840 0.059 1 696 66 66 VAL CG1 C 21.758 0.014 2 697 66 66 VAL CG2 C 19.633 0.008 2 698 66 66 VAL N N 127.191 0.021 1 699 67 67 GLN H H 9.090 0.002 1 700 67 67 GLN HA H 5.162 0.006 1 701 67 67 GLN HB2 H 1.953 0.005 2 702 67 67 GLN HB3 H 1.858 0.007 2 703 67 67 GLN HE21 H 7.396 0.001 2 704 67 67 GLN HE22 H 6.615 0.002 2 705 67 67 GLN HG2 H 2.125 0.006 2 706 67 67 GLN HG3 H 2.047 0.004 2 707 67 67 GLN C C 176.152 0.000 1 708 67 67 GLN CA C 53.863 0.059 1 709 67 67 GLN CB C 30.579 0.047 1 710 67 67 GLN CG C 33.619 0.023 1 711 67 67 GLN N N 125.830 0.045 1 712 67 67 GLN NE2 N 110.665 0.021 1 713 68 68 VAL H H 8.850 0.003 1 714 68 68 VAL HA H 5.131 0.002 1 715 68 68 VAL HB H 1.671 0.002 1 716 68 68 VAL HG1 H 0.706 0.004 2 717 68 68 VAL HG2 H 0.188 0.006 2 718 68 68 VAL C C 174.862 0.000 1 719 68 68 VAL CA C 57.987 0.031 1 720 68 68 VAL CB C 35.537 0.012 1 721 68 68 VAL CG1 C 17.739 0.006 2 722 68 68 VAL CG2 C 21.101 0.009 2 723 68 68 VAL N N 116.709 0.033 1 724 69 69 LYS H H 7.916 0.004 1 725 69 69 LYS HA H 4.955 0.006 1 726 69 69 LYS HB2 H 1.925 0.007 2 727 69 69 LYS HB3 H 1.778 0.010 2 728 69 69 LYS HD2 H 1.783 0.008 2 729 69 69 LYS HD3 H 1.784 0.010 2 730 69 69 LYS HE2 H 3.066 0.003 2 731 69 69 LYS HE3 H 3.061 0.017 2 732 69 69 LYS HG2 H 1.559 0.005 2 733 69 69 LYS HG3 H 1.504 0.005 2 734 69 69 LYS C C 177.692 0.000 1 735 69 69 LYS CA C 54.750 0.058 1 736 69 69 LYS CB C 35.296 0.029 1 737 69 69 LYS CD C 29.189 0.037 1 738 69 69 LYS CE C 42.323 0.035 1 739 69 69 LYS CG C 24.825 0.021 1 740 69 69 LYS N N 119.303 0.034 1 741 70 70 GLU H H 9.985 0.005 1 742 70 70 GLU HA H 4.471 0.004 1 743 70 70 GLU HB2 H 3.117 0.007 2 744 70 70 GLU HB3 H 3.102 0.013 2 745 70 70 GLU HG2 H 3.244 0.004 2 746 70 70 GLU HG3 H 3.242 0.006 2 747 70 70 GLU C C 177.835 0.000 1 748 70 70 GLU CA C 57.517 0.049 1 749 70 70 GLU CB C 30.363 0.069 1 750 70 70 GLU CG C 30.391 0.008 1 751 70 70 GLU N N 128.028 0.031 1 752 71 71 ARG H H 8.431 0.005 1 753 71 71 ARG CA C 55.843 0.035 1 754 71 71 ARG N N 122.394 0.046 1 755 72 72 PRO HA H 4.768 0.003 1 756 72 72 PRO HB2 H 2.075 0.009 2 757 72 72 PRO HB3 H 1.547 0.004 2 758 72 72 PRO HD2 H 4.102 0.004 2 759 72 72 PRO HD3 H 3.963 0.005 2 760 72 72 PRO HG2 H 2.037 0.005 2 761 72 72 PRO HG3 H 1.969 0.003 2 762 72 72 PRO C C 175.981 0.000 1 763 72 72 PRO CA C 62.515 0.039 1 764 72 72 PRO CB C 33.323 0.005 1 765 72 72 PRO CD C 50.144 0.000 1 766 72 72 PRO CG C 26.775 0.000 1 767 73 73 THR H H 7.938 0.003 1 768 73 73 THR HA H 4.500 0.005 1 769 73 73 THR HB H 3.790 0.004 1 770 73 73 THR HG2 H 1.038 0.004 1 771 73 73 THR C C 174.603 0.000 1 772 73 73 THR CA C 61.856 0.049 1 773 73 73 THR CB C 70.933 0.042 1 774 73 73 THR CG2 C 21.766 0.000 1 775 73 73 THR N N 112.719 0.023 1 776 74 74 ILE H H 8.877 0.005 1 777 74 74 ILE HA H 4.061 0.009 1 778 74 74 ILE HB H 2.038 0.004 1 779 74 74 ILE HD1 H 0.771 0.006 1 780 74 74 ILE HG12 H 0.556 0.005 2 781 74 74 ILE HG2 H 0.750 0.004 1 782 74 74 ILE C C 176.048 0.000 1 783 74 74 ILE CA C 62.644 0.074 1 784 74 74 ILE CB C 38.134 0.084 1 785 74 74 ILE CD1 C 14.037 0.000 1 786 74 74 ILE CG1 C 29.309 0.000 1 787 74 74 ILE CG2 C 18.927 0.021 1 788 74 74 ILE N N 124.734 0.027 1 789 75 75 ALA H H 9.832 0.004 1 790 75 75 ALA HA H 4.518 0.002 1 791 75 75 ALA HB H 1.383 0.003 1 792 75 75 ALA C C 177.093 0.000 1 793 75 75 ALA CA C 53.242 0.032 1 794 75 75 ALA CB C 20.901 0.044 1 795 75 75 ALA N N 133.439 0.062 1 796 76 76 SER H H 7.487 0.003 1 797 76 76 SER HA H 4.467 0.003 1 798 76 76 SER HB2 H 3.922 0.005 2 799 76 76 SER HB3 H 3.718 0.002 2 800 76 76 SER C C 171.513 0.000 1 801 76 76 SER CA C 57.674 0.082 1 802 76 76 SER CB C 64.341 0.031 1 803 76 76 SER N N 108.965 0.035 1 804 77 77 ILE H H 8.320 0.004 1 805 77 77 ILE HA H 5.016 0.007 1 806 77 77 ILE HB H 1.403 0.006 1 807 77 77 ILE HD1 H 0.767 0.005 1 808 77 77 ILE HG12 H 0.764 0.006 2 809 77 77 ILE HG13 H 1.413 0.008 2 810 77 77 ILE HG2 H 0.395 0.006 1 811 77 77 ILE C C 174.956 0.000 1 812 77 77 ILE CA C 60.996 0.056 1 813 77 77 ILE CB C 41.065 0.035 1 814 77 77 ILE CD1 C 14.308 0.072 1 815 77 77 ILE CG1 C 28.519 0.000 1 816 77 77 ILE CG2 C 17.722 0.010 1 817 77 77 ILE N N 121.938 0.034 1 818 78 78 THR H H 8.416 0.003 1 819 78 78 THR HA H 4.406 0.003 1 820 78 78 THR HB H 4.037 0.005 1 821 78 78 THR HG2 H 1.192 0.004 1 822 78 78 THR C C 171.771 0.000 1 823 78 78 THR CA C 60.229 0.090 1 824 78 78 THR CB C 72.266 0.086 1 825 78 78 THR CG2 C 22.919 0.000 1 826 78 78 THR N N 120.081 0.043 1 827 79 79 PHE H H 8.638 0.004 1 828 79 79 PHE HA H 5.709 0.004 1 829 79 79 PHE HB2 H 3.248 0.009 2 830 79 79 PHE HB3 H 3.011 0.006 2 831 79 79 PHE HD1 H 7.409 0.007 3 832 79 79 PHE HD2 H 7.412 0.005 3 833 79 79 PHE HE1 H 7.224 0.001 3 834 79 79 PHE HE2 H 7.224 0.001 3 835 79 79 PHE HZ H 6.840 0.004 1 836 79 79 PHE C C 175.867 0.000 1 837 79 79 PHE CA C 56.302 0.047 1 838 79 79 PHE CB C 42.426 0.050 1 839 79 79 PHE CD1 C 132.201 0.002 3 840 79 79 PHE CD2 C 132.196 0.006 3 841 79 79 PHE CE1 C 130.992 0.010 3 842 79 79 PHE CE2 C 131.009 0.013 3 843 79 79 PHE CZ C 128.602 0.014 1 844 79 79 PHE N N 120.606 0.044 1 845 80 80 SER H H 9.077 0.003 1 846 80 80 SER HA H 5.055 0.005 1 847 80 80 SER HB2 H 3.832 0.005 2 848 80 80 SER HB3 H 3.833 0.007 2 849 80 80 SER C C 174.584 0.000 1 850 80 80 SER CA C 57.728 0.038 1 851 80 80 SER CB C 65.642 0.035 1 852 80 80 SER N N 115.794 0.013 1 853 81 81 GLY H H 9.200 0.005 1 854 81 81 GLY HA2 H 3.894 0.003 2 855 81 81 GLY HA3 H 3.143 0.002 2 856 81 81 GLY C C 173.754 0.000 1 857 81 81 GLY CA C 45.846 0.044 1 858 81 81 GLY N N 114.697 0.019 1 859 82 82 ASN H H 9.847 0.004 1 860 82 82 ASN HA H 4.580 0.002 1 861 82 82 ASN HB2 H 2.599 0.005 2 862 82 82 ASN HB3 H 1.360 0.010 2 863 82 82 ASN HD22 H 7.673 0.065 2 864 82 82 ASN C C 174.622 0.000 1 865 82 82 ASN CA C 53.143 0.053 1 866 82 82 ASN CB C 34.914 0.052 1 867 82 82 ASN N N 115.624 0.014 1 868 82 82 ASN ND2 N 114.706 0.000 1 869 83 83 LYS H H 7.931 0.003 1 870 83 83 LYS HA H 4.132 0.004 1 871 83 83 LYS HB2 H 1.813 0.004 2 872 83 83 LYS HB3 H 1.814 0.004 2 873 83 83 LYS HD2 H 1.655 0.003 2 874 83 83 LYS HD3 H 1.652 0.003 2 875 83 83 LYS HE2 H 2.996 0.003 2 876 83 83 LYS HE3 H 2.995 0.003 2 877 83 83 LYS HG2 H 1.437 0.004 2 878 83 83 LYS HG3 H 1.347 0.002 2 879 83 83 LYS C C 178.716 0.000 1 880 83 83 LYS CA C 58.230 0.036 1 881 83 83 LYS CB C 33.466 0.048 1 882 83 83 LYS CD C 29.037 0.025 1 883 83 83 LYS CE C 42.109 0.023 1 884 83 83 LYS CG C 24.709 0.020 1 885 83 83 LYS N N 124.218 0.018 1 886 84 84 SER H H 9.167 0.004 1 887 84 84 SER HA H 4.323 0.003 1 888 84 84 SER HB2 H 3.455 0.002 2 889 84 84 SER HB3 H 3.415 0.004 2 890 84 84 SER C C 172.980 0.000 1 891 84 84 SER CA C 59.988 0.069 1 892 84 84 SER CB C 63.318 0.017 1 893 84 84 SER N N 112.742 0.058 1 894 85 85 VAL H H 6.510 0.003 1 895 85 85 VAL HA H 3.994 0.002 1 896 85 85 VAL HB H 1.369 0.003 1 897 85 85 VAL HG1 H 0.819 0.005 2 898 85 85 VAL HG2 H -0.041 0.005 2 899 85 85 VAL C C 174.011 0.000 1 900 85 85 VAL CA C 61.290 0.036 1 901 85 85 VAL CB C 34.782 0.089 1 902 85 85 VAL CG1 C 21.556 0.006 2 903 85 85 VAL CG2 C 21.267 0.006 2 904 85 85 VAL N N 118.711 0.011 1 905 86 86 LYS H H 8.181 0.003 1 906 86 86 LYS HA H 4.194 0.004 1 907 86 86 LYS HB2 H 2.052 0.006 2 908 86 86 LYS HB3 H 1.834 0.006 2 909 86 86 LYS HD2 H 1.733 0.004 2 910 86 86 LYS HD3 H 1.733 0.005 2 911 86 86 LYS HE2 H 3.047 0.004 2 912 86 86 LYS HE3 H 3.048 0.004 2 913 86 86 LYS HG2 H 1.590 0.004 2 914 86 86 LYS HG3 H 1.527 0.006 2 915 86 86 LYS C C 177.333 0.000 1 916 86 86 LYS CA C 56.611 0.032 1 917 86 86 LYS CB C 33.676 0.032 1 918 86 86 LYS CD C 28.857 0.004 1 919 86 86 LYS CE C 42.258 0.031 1 920 86 86 LYS CG C 25.111 0.082 1 921 86 86 LYS N N 124.968 0.038 1 922 87 87 ASP H H 8.424 0.005 1 923 87 87 ASP HA H 3.560 0.007 1 924 87 87 ASP HB2 H 2.741 0.009 2 925 87 87 ASP HB3 H 2.742 0.009 2 926 87 87 ASP C C 177.614 0.000 1 927 87 87 ASP CA C 57.496 0.034 1 928 87 87 ASP CB C 40.433 0.058 1 929 87 87 ASP N N 119.911 0.039 1 930 88 88 ASP H H 8.608 0.003 1 931 88 88 ASP HA H 4.280 0.002 1 932 88 88 ASP HB2 H 2.696 0.007 2 933 88 88 ASP HB3 H 2.582 0.006 2 934 88 88 ASP C C 178.759 0.000 1 935 88 88 ASP CA C 57.626 0.047 1 936 88 88 ASP CB C 40.085 0.066 1 937 88 88 ASP N N 115.169 0.021 1 938 89 89 MET H H 7.300 0.003 1 939 89 89 MET HA H 4.255 0.004 1 940 89 89 MET HB2 H 2.195 0.006 2 941 89 89 MET HB3 H 2.147 0.005 2 942 89 89 MET HG2 H 2.716 0.002 2 943 89 89 MET HG3 H 2.649 0.003 2 944 89 89 MET C C 178.586 0.000 1 945 89 89 MET CA C 58.307 0.045 1 946 89 89 MET CB C 33.170 0.083 1 947 89 89 MET CG C 32.436 0.000 1 948 89 89 MET N N 118.538 0.026 1 949 90 90 LEU H H 7.143 0.002 1 950 90 90 LEU HA H 3.779 0.006 1 951 90 90 LEU HB2 H 1.268 0.013 2 952 90 90 LEU HB3 H 0.920 0.004 2 953 90 90 LEU HD1 H 0.974 0.004 2 954 90 90 LEU HD2 H 0.247 0.006 2 955 90 90 LEU HG H 1.483 0.005 1 956 90 90 LEU C C 178.427 0.000 1 957 90 90 LEU CA C 57.755 0.048 1 958 90 90 LEU CB C 41.892 0.048 1 959 90 90 LEU CD1 C 23.413 0.002 2 960 90 90 LEU CD2 C 26.727 0.010 2 961 90 90 LEU CG C 26.143 0.000 1 962 90 90 LEU N N 120.104 0.022 1 963 91 91 LYS H H 8.742 0.004 1 964 91 91 LYS HA H 4.037 0.003 1 965 91 91 LYS HB2 H 2.067 0.005 2 966 91 91 LYS HB3 H 2.067 0.005 2 967 91 91 LYS HD2 H 1.881 0.003 2 968 91 91 LYS HD3 H 1.830 0.003 2 969 91 91 LYS HE2 H 3.074 0.006 2 970 91 91 LYS HE3 H 3.075 0.006 2 971 91 91 LYS HG2 H 1.731 0.006 2 972 91 91 LYS HG3 H 1.541 0.005 2 973 91 91 LYS C C 178.978 0.000 1 974 91 91 LYS CA C 60.571 0.017 1 975 91 91 LYS CB C 32.838 0.028 1 976 91 91 LYS CD C 29.720 0.011 1 977 91 91 LYS CE C 42.096 0.000 1 978 91 91 LYS CG C 25.750 0.000 1 979 91 91 LYS N N 119.313 0.025 1 980 92 92 GLN H H 7.738 0.004 1 981 92 92 GLN HA H 4.166 0.001 1 982 92 92 GLN HB2 H 2.213 0.006 2 983 92 92 GLN HB3 H 2.194 0.010 2 984 92 92 GLN HE21 H 7.489 0.000 2 985 92 92 GLN HE22 H 6.842 0.000 2 986 92 92 GLN HG2 H 2.613 0.001 2 987 92 92 GLN HG3 H 2.439 0.003 2 988 92 92 GLN C C 178.429 0.000 1 989 92 92 GLN CA C 59.018 0.044 1 990 92 92 GLN CB C 28.404 0.046 1 991 92 92 GLN CG C 34.136 0.031 1 992 92 92 GLN N N 118.108 0.043 1 993 92 92 GLN NE2 N 111.273 0.006 1 994 93 93 ASN H H 7.416 0.002 1 995 93 93 ASN HA H 4.147 0.005 1 996 93 93 ASN HB2 H 2.078 0.003 2 997 93 93 ASN HB3 H 1.641 0.004 2 998 93 93 ASN HD21 H 6.632 0.000 2 999 93 93 ASN HD22 H 6.471 0.001 2 1000 93 93 ASN C C 177.800 0.000 1 1001 93 93 ASN CA C 57.923 0.045 1 1002 93 93 ASN CB C 39.753 0.043 1 1003 93 93 ASN N N 119.955 0.020 1 1004 93 93 ASN ND2 N 108.796 0.026 1 1005 94 94 LEU H H 8.128 0.002 1 1006 94 94 LEU HA H 4.051 0.003 1 1007 94 94 LEU HB2 H 2.054 0.005 2 1008 94 94 LEU HB3 H 1.858 0.007 2 1009 94 94 LEU HD1 H 1.049 0.004 2 1010 94 94 LEU HD2 H 0.924 0.003 2 1011 94 94 LEU HG H 1.945 0.007 1 1012 94 94 LEU C C 179.697 0.000 1 1013 94 94 LEU CA C 58.040 0.026 1 1014 94 94 LEU CB C 41.105 0.011 1 1015 94 94 LEU CD1 C 26.701 0.008 2 1016 94 94 LEU CD2 C 23.311 0.000 2 1017 94 94 LEU CG C 26.705 0.000 1 1018 94 94 LEU N N 119.809 0.016 1 1019 95 95 GLU H H 8.507 0.003 1 1020 95 95 GLU HA H 3.761 0.003 1 1021 95 95 GLU HB2 H 2.271 0.005 2 1022 95 95 GLU HB3 H 2.099 0.005 2 1023 95 95 GLU HG2 H 2.514 0.003 2 1024 95 95 GLU HG3 H 2.270 0.005 2 1025 95 95 GLU C C 180.227 0.000 1 1026 95 95 GLU CA C 60.193 0.042 1 1027 95 95 GLU CB C 29.133 0.045 1 1028 95 95 GLU CG C 36.965 0.007 1 1029 95 95 GLU N N 121.024 0.012 1 1030 96 96 ALA H H 7.739 0.002 1 1031 96 96 ALA HA H 4.250 0.002 1 1032 96 96 ALA HB H 1.564 0.003 1 1033 96 96 ALA C C 178.855 0.000 1 1034 96 96 ALA CA C 54.576 0.037 1 1035 96 96 ALA CB C 17.939 0.076 1 1036 96 96 ALA N N 122.158 0.024 1 1037 97 97 SER H H 7.548 0.002 1 1038 97 97 SER HA H 4.664 0.003 1 1039 97 97 SER HB2 H 4.133 0.004 2 1040 97 97 SER HB3 H 4.004 0.006 2 1041 97 97 SER C C 173.945 0.000 1 1042 97 97 SER CA C 58.413 0.025 1 1043 97 97 SER CB C 63.964 0.020 1 1044 97 97 SER N N 112.731 0.040 1 1045 98 98 GLY H H 7.873 0.003 1 1046 98 98 GLY HA2 H 4.279 0.002 2 1047 98 98 GLY HA3 H 3.697 0.001 2 1048 98 98 GLY C C 173.847 0.000 1 1049 98 98 GLY CA C 45.501 0.071 1 1050 98 98 GLY N N 108.060 0.023 1 1051 99 99 VAL H H 7.979 0.003 1 1052 99 99 VAL HA H 3.936 0.005 1 1053 99 99 VAL HB H 1.968 0.006 1 1054 99 99 VAL HG1 H 0.761 0.003 2 1055 99 99 VAL HG2 H 0.667 0.006 2 1056 99 99 VAL C C 172.659 0.000 1 1057 99 99 VAL CA C 62.309 0.022 1 1058 99 99 VAL CB C 30.959 0.062 1 1059 99 99 VAL CG1 C 20.034 0.026 2 1060 99 99 VAL CG2 C 21.082 0.023 2 1061 99 99 VAL N N 123.616 0.035 1 1062 100 100 ARG H H 7.024 0.003 1 1063 100 100 ARG HA H 4.551 0.002 1 1064 100 100 ARG HB2 H 1.766 0.003 2 1065 100 100 ARG HB3 H 1.653 0.006 2 1066 100 100 ARG HD2 H 3.209 0.005 2 1067 100 100 ARG HD3 H 3.210 0.005 2 1068 100 100 ARG HG2 H 1.547 0.003 2 1069 100 100 ARG HG3 H 1.395 0.003 2 1070 100 100 ARG C C 174.539 0.000 1 1071 100 100 ARG CA C 53.606 0.049 1 1072 100 100 ARG CB C 34.185 0.049 1 1073 100 100 ARG CD C 43.650 0.012 1 1074 100 100 ARG CG C 26.961 0.013 1 1075 100 100 ARG N N 120.957 0.013 1 1076 101 101 VAL H H 8.550 0.005 1 1077 101 101 VAL HA H 3.428 0.002 1 1078 101 101 VAL HB H 1.940 0.004 1 1079 101 101 VAL HG1 H 0.985 0.005 2 1080 101 101 VAL HG2 H 0.957 0.007 2 1081 101 101 VAL C C 177.165 0.000 1 1082 101 101 VAL CA C 65.344 0.013 1 1083 101 101 VAL CB C 31.577 0.036 1 1084 101 101 VAL CG1 C 22.992 0.000 2 1085 101 101 VAL CG2 C 21.215 0.000 2 1086 101 101 VAL N N 122.119 0.024 1 1087 102 102 GLY H H 9.284 0.004 1 1088 102 102 GLY HA2 H 4.506 0.003 2 1089 102 102 GLY HA3 H 3.562 0.003 2 1090 102 102 GLY C C 174.234 0.000 1 1091 102 102 GLY CA C 44.964 0.061 1 1092 102 102 GLY N N 115.320 0.010 1 1093 103 103 GLU H H 7.736 0.002 1 1094 103 103 GLU HA H 4.719 0.005 1 1095 103 103 GLU HB2 H 2.425 0.003 2 1096 103 103 GLU HB3 H 2.055 0.003 2 1097 103 103 GLU HG2 H 2.167 0.007 2 1098 103 103 GLU HG3 H 2.428 0.003 2 1099 103 103 GLU C C 175.628 0.000 1 1100 103 103 GLU CA C 54.379 0.035 1 1101 103 103 GLU CB C 30.875 0.071 1 1102 103 103 GLU CG C 36.814 0.005 1 1103 103 103 GLU N N 119.206 0.023 1 1104 104 104 SER H H 8.783 0.003 1 1105 104 104 SER HA H 4.966 0.003 1 1106 104 104 SER HB2 H 3.678 0.003 2 1107 104 104 SER HB3 H 3.583 0.008 2 1108 104 104 SER C C 173.890 0.000 1 1109 104 104 SER CA C 58.085 0.053 1 1110 104 104 SER CB C 64.630 0.019 1 1111 104 104 SER N N 115.780 0.017 1 1112 105 105 LEU H H 8.333 0.004 1 1113 105 105 LEU HA H 4.596 0.052 1 1114 105 105 LEU HB2 H 1.148 0.009 2 1115 105 105 LEU HB3 H 1.636 0.003 2 1116 105 105 LEU HD1 H 0.780 0.010 2 1117 105 105 LEU HD2 H 0.804 0.006 2 1118 105 105 LEU HG H 1.181 0.004 1 1119 105 105 LEU C C 174.828 0.000 1 1120 105 105 LEU CA C 53.373 0.033 1 1121 105 105 LEU CB C 44.674 0.080 1 1122 105 105 LEU CD1 C 27.583 0.034 2 1123 105 105 LEU CD2 C 22.772 0.000 2 1124 105 105 LEU CG C 27.485 0.000 1 1125 105 105 LEU N N 122.573 0.016 1 1126 106 106 ASP H H 9.119 0.005 1 1127 106 106 ASP HA H 4.763 0.002 1 1128 106 106 ASP HB2 H 3.015 0.005 2 1129 106 106 ASP HB3 H 2.539 0.003 2 1130 106 106 ASP C C 177.322 0.000 1 1131 106 106 ASP CA C 51.989 0.027 1 1132 106 106 ASP CB C 40.379 0.040 1 1133 106 106 ASP N N 126.156 0.026 1 1134 107 107 ARG H H 9.401 0.005 1 1135 107 107 ARG HA H 3.889 0.003 1 1136 107 107 ARG HB2 H 2.007 0.005 2 1137 107 107 ARG HB3 H 1.985 0.002 2 1138 107 107 ARG HD2 H 3.334 0.009 2 1139 107 107 ARG HD3 H 3.259 0.006 2 1140 107 107 ARG HG2 H 1.772 0.003 2 1141 107 107 ARG HG3 H 1.617 0.003 2 1142 107 107 ARG C C 177.564 0.000 1 1143 107 107 ARG CA C 59.436 0.024 1 1144 107 107 ARG CB C 30.093 0.026 1 1145 107 107 ARG CD C 43.566 0.000 1 1146 107 107 ARG CG C 28.914 0.000 1 1147 107 107 ARG N N 126.304 0.024 1 1148 108 108 THR H H 8.611 0.002 1 1149 108 108 THR HA H 4.409 0.003 1 1150 108 108 THR HB H 4.440 0.004 1 1151 108 108 THR HG2 H 1.420 0.003 1 1152 108 108 THR C C 176.277 0.000 1 1153 108 108 THR CA C 64.408 0.027 1 1154 108 108 THR CB C 69.137 0.026 1 1155 108 108 THR CG2 C 21.878 0.000 1 1156 108 108 THR N N 110.996 0.024 1 1157 109 109 THR H H 7.621 0.002 1 1158 109 109 THR HA H 4.375 0.001 1 1159 109 109 THR HB H 4.273 0.002 1 1160 109 109 THR HG2 H 1.244 0.004 1 1161 109 109 THR C C 175.565 0.000 1 1162 109 109 THR CA C 61.809 0.050 1 1163 109 109 THR CB C 69.948 0.034 1 1164 109 109 THR CG2 C 22.129 0.000 1 1165 109 109 THR N N 110.183 0.051 1 1166 110 110 ILE H H 7.123 0.001 1 1167 110 110 ILE HA H 3.679 0.003 1 1168 110 110 ILE HB H 1.959 0.003 1 1169 110 110 ILE HD1 H 0.834 0.005 1 1170 110 110 ILE HG12 H 1.662 0.008 2 1171 110 110 ILE HG13 H 1.279 0.003 2 1172 110 110 ILE HG2 H 0.903 0.004 1 1173 110 110 ILE C C 176.825 0.000 1 1174 110 110 ILE CA C 64.508 0.022 1 1175 110 110 ILE CB C 37.059 0.071 1 1176 110 110 ILE CD1 C 12.182 0.014 1 1177 110 110 ILE CG1 C 29.012 0.026 1 1178 110 110 ILE CG2 C 18.116 0.014 1 1179 110 110 ILE N N 122.581 0.021 1 1180 111 111 ALA H H 8.544 0.005 1 1181 111 111 ALA HA H 4.505 0.003 1 1182 111 111 ALA HB H 1.489 0.003 1 1183 111 111 ALA C C 180.526 0.000 1 1184 111 111 ALA CA C 54.893 0.062 1 1185 111 111 ALA CB C 18.023 0.091 1 1186 111 111 ALA N N 121.369 0.018 1 1187 112 112 ASP H H 7.662 0.006 1 1188 112 112 ASP HA H 4.537 0.003 1 1189 112 112 ASP HB2 H 2.968 0.006 2 1190 112 112 ASP HB3 H 2.742 0.006 2 1191 112 112 ASP C C 179.886 0.000 1 1192 112 112 ASP CA C 57.208 0.029 1 1193 112 112 ASP CB C 40.433 0.064 1 1194 112 112 ASP N N 118.256 0.033 1 1195 113 113 ILE H H 8.151 0.005 1 1196 113 113 ILE HA H 3.875 0.004 1 1197 113 113 ILE HB H 2.166 0.003 1 1198 113 113 ILE HD1 H 0.766 0.005 1 1199 113 113 ILE HG12 H 1.790 0.006 2 1200 113 113 ILE HG13 H 1.114 0.004 2 1201 113 113 ILE HG2 H 0.827 0.004 1 1202 113 113 ILE C C 178.990 0.000 1 1203 113 113 ILE CA C 64.512 0.101 1 1204 113 113 ILE CB C 37.771 0.020 1 1205 113 113 ILE CD1 C 13.206 0.029 1 1206 113 113 ILE CG1 C 28.211 0.011 1 1207 113 113 ILE CG2 C 16.718 0.009 1 1208 113 113 ILE N N 123.631 0.032 1 1209 114 114 GLU H H 8.213 0.005 1 1210 114 114 GLU HA H 3.583 0.004 1 1211 114 114 GLU HB2 H 2.436 0.006 2 1212 114 114 GLU HB3 H 1.986 0.005 2 1213 114 114 GLU HG2 H 1.835 0.006 2 1214 114 114 GLU HG3 H 2.492 0.005 2 1215 114 114 GLU C C 178.241 0.000 1 1216 114 114 GLU CA C 60.145 0.058 1 1217 114 114 GLU CB C 29.751 0.096 1 1218 114 114 GLU CG C 36.919 0.000 1 1219 114 114 GLU N N 119.325 0.013 1 1220 115 115 LYS H H 8.054 0.004 1 1221 115 115 LYS HA H 4.167 0.003 1 1222 115 115 LYS HB2 H 2.051 0.006 2 1223 115 115 LYS HB3 H 1.996 0.003 2 1224 115 115 LYS HD2 H 1.843 0.006 2 1225 115 115 LYS HD3 H 1.761 0.004 2 1226 115 115 LYS HE2 H 3.075 0.007 2 1227 115 115 LYS HE3 H 3.075 0.008 2 1228 115 115 LYS HG2 H 1.625 0.003 2 1229 115 115 LYS HG3 H 1.597 0.004 2 1230 115 115 LYS C C 179.313 0.000 1 1231 115 115 LYS CA C 58.961 0.017 1 1232 115 115 LYS CB C 32.394 0.012 1 1233 115 115 LYS CD C 28.678 0.000 1 1234 115 115 LYS CE C 42.418 0.013 1 1235 115 115 LYS CG C 24.872 0.014 1 1236 115 115 LYS N N 117.918 0.030 1 1237 116 116 GLY H H 8.443 0.004 1 1238 116 116 GLY HA2 H 4.162 0.003 2 1239 116 116 GLY HA3 H 4.048 0.003 2 1240 116 116 GLY C C 178.061 0.000 1 1241 116 116 GLY CA C 47.296 0.032 1 1242 116 116 GLY N N 106.548 0.022 1 1243 117 117 LEU H H 8.115 0.004 1 1244 117 117 LEU HA H 4.535 0.005 1 1245 117 117 LEU HB2 H 2.289 0.004 2 1246 117 117 LEU HB3 H 1.597 0.007 2 1247 117 117 LEU HD1 H 1.156 0.004 2 1248 117 117 LEU HD2 H 1.103 0.005 2 1249 117 117 LEU HG H 2.025 0.005 1 1250 117 117 LEU C C 179.234 0.000 1 1251 117 117 LEU CA C 57.751 0.031 1 1252 117 117 LEU CB C 43.468 0.025 1 1253 117 117 LEU CD1 C 23.933 0.017 2 1254 117 117 LEU CD2 C 28.193 0.006 2 1255 117 117 LEU CG C 27.554 0.011 1 1256 117 117 LEU N N 122.869 0.015 1 1257 118 118 GLU H H 8.387 0.007 1 1258 118 118 GLU HA H 3.987 0.004 1 1259 118 118 GLU HB2 H 2.545 0.006 2 1260 118 118 GLU HB3 H 2.214 0.008 2 1261 118 118 GLU HG2 H 2.808 0.003 2 1262 118 118 GLU HG3 H 2.550 0.006 2 1263 118 118 GLU C C 180.259 0.000 1 1264 118 118 GLU CA C 60.653 0.098 1 1265 118 118 GLU CB C 29.416 0.008 1 1266 118 118 GLU CG C 37.108 0.000 1 1267 118 118 GLU N N 122.439 0.021 1 1268 119 119 ASP H H 8.625 0.004 1 1269 119 119 ASP HA H 4.660 0.005 1 1270 119 119 ASP HB2 H 3.003 0.005 2 1271 119 119 ASP HB3 H 2.897 0.003 2 1272 119 119 ASP C C 178.996 0.000 1 1273 119 119 ASP CA C 57.544 0.061 1 1274 119 119 ASP CB C 40.424 0.005 1 1275 119 119 ASP N N 121.001 0.029 1 1276 120 120 PHE H H 8.622 0.006 1 1277 120 120 PHE HA H 4.461 0.007 1 1278 120 120 PHE HB2 H 3.510 0.003 2 1279 120 120 PHE HB3 H 3.208 0.006 2 1280 120 120 PHE HD1 H 7.188 0.002 3 1281 120 120 PHE HD2 H 7.187 0.000 3 1282 120 120 PHE C C 177.435 0.000 1 1283 120 120 PHE CA C 61.253 0.070 1 1284 120 120 PHE CB C 40.050 0.071 1 1285 120 120 PHE CD1 C 131.632 0.050 3 1286 120 120 PHE CD2 C 131.653 0.012 3 1287 120 120 PHE N N 123.024 0.024 1 1288 121 121 TYR H H 9.120 0.004 1 1289 121 121 TYR HA H 3.604 0.002 1 1290 121 121 TYR HB2 H 3.565 0.001 2 1291 121 121 TYR HB3 H 3.354 0.010 2 1292 121 121 TYR HD1 H 7.057 0.002 3 1293 121 121 TYR HD2 H 7.059 0.002 3 1294 121 121 TYR HE1 H 6.312 0.004 3 1295 121 121 TYR HE2 H 6.313 0.004 3 1296 121 121 TYR C C 178.401 0.000 1 1297 121 121 TYR CA C 62.846 0.019 1 1298 121 121 TYR CB C 39.547 0.025 1 1299 121 121 TYR CD1 C 133.471 0.041 3 1300 121 121 TYR CD2 C 133.481 0.024 3 1301 121 121 TYR CE1 C 117.797 0.044 3 1302 121 121 TYR CE2 C 117.788 0.016 3 1303 121 121 TYR N N 122.228 0.024 1 1304 122 122 TYR H H 7.823 0.005 1 1305 122 122 TYR HA H 4.339 0.003 1 1306 122 122 TYR HB2 H 3.425 0.004 2 1307 122 122 TYR HB3 H 3.183 0.010 2 1308 122 122 TYR HD1 H 7.055 0.002 3 1309 122 122 TYR HD2 H 7.056 0.001 3 1310 122 122 TYR HE1 H 6.766 0.005 3 1311 122 122 TYR HE2 H 6.769 0.004 3 1312 122 122 TYR C C 178.400 0.000 1 1313 122 122 TYR CA C 61.107 0.027 1 1314 122 122 TYR CB C 38.710 0.081 1 1315 122 122 TYR CD1 C 133.301 0.001 3 1316 122 122 TYR CD2 C 133.289 0.015 3 1317 122 122 TYR CE1 C 118.019 0.019 3 1318 122 122 TYR CE2 C 118.025 0.047 3 1319 122 122 TYR N N 116.267 0.034 1 1320 123 123 SER H H 8.264 0.004 1 1321 123 123 SER HA H 4.090 0.003 1 1322 123 123 SER HB2 H 4.032 0.002 2 1323 123 123 SER HB3 H 4.030 0.004 2 1324 123 123 SER C C 175.613 0.000 1 1325 123 123 SER CA C 61.354 0.044 1 1326 123 123 SER CB C 63.333 0.033 1 1327 123 123 SER N N 115.647 0.019 1 1328 124 124 VAL H H 7.667 0.005 1 1329 124 124 VAL HA H 3.858 0.002 1 1330 124 124 VAL HB H 1.483 0.004 1 1331 124 124 VAL HG1 H 0.629 0.005 2 1332 124 124 VAL HG2 H 0.355 0.005 2 1333 124 124 VAL C C 177.229 0.000 1 1334 124 124 VAL CA C 64.021 0.043 1 1335 124 124 VAL CB C 32.163 0.019 1 1336 124 124 VAL CG1 C 21.528 0.010 2 1337 124 124 VAL CG2 C 21.317 0.063 2 1338 124 124 VAL N N 117.828 0.041 1 1339 125 125 GLY H H 7.353 0.003 1 1340 125 125 GLY HA2 H 5.123 0.006 2 1341 125 125 GLY HA3 H 3.822 0.008 2 1342 125 125 GLY C C 173.143 0.000 1 1343 125 125 GLY CA C 45.877 0.040 1 1344 125 125 GLY N N 106.823 0.026 1 1345 126 126 LYS H H 7.723 0.003 1 1346 126 126 LYS HA H 3.406 0.006 1 1347 126 126 LYS HB2 H 1.844 0.007 2 1348 126 126 LYS HB3 H 1.648 0.005 2 1349 126 126 LYS HD2 H 1.447 0.002 2 1350 126 126 LYS HD3 H 1.447 0.003 2 1351 126 126 LYS HE2 H 2.899 0.004 2 1352 126 126 LYS HE3 H 2.899 0.004 2 1353 126 126 LYS HG2 H 1.127 0.003 2 1354 126 126 LYS HG3 H 0.938 0.005 2 1355 126 126 LYS C C 174.949 0.000 1 1356 126 126 LYS CA C 57.035 0.044 1 1357 126 126 LYS CB C 29.313 0.038 1 1358 126 126 LYS CD C 28.578 0.001 1 1359 126 126 LYS CE C 42.439 0.005 1 1360 126 126 LYS CG C 24.825 0.013 1 1361 126 126 LYS N N 113.879 0.052 1 1362 127 127 TYR H H 7.395 0.005 1 1363 127 127 TYR HA H 4.837 0.002 1 1364 127 127 TYR HB2 H 3.169 0.006 2 1365 127 127 TYR HB3 H 2.700 0.009 2 1366 127 127 TYR HD1 H 7.086 0.002 3 1367 127 127 TYR HD2 H 7.085 0.001 3 1368 127 127 TYR HE1 H 6.316 0.005 2 1369 127 127 TYR HE2 H 6.769 0.003 2 1370 127 127 TYR C C 175.229 0.000 1 1371 127 127 TYR CA C 56.926 0.022 1 1372 127 127 TYR CB C 41.640 0.053 1 1373 127 127 TYR CD1 C 133.313 0.018 3 1374 127 127 TYR CD2 C 133.308 0.007 3 1375 127 127 TYR CE1 C 117.808 0.014 3 1376 127 127 TYR CE2 C 118.018 0.016 3 1377 127 127 TYR N N 117.661 0.037 1 1378 128 128 SER H H 8.650 0.005 1 1379 128 128 SER HA H 4.696 0.004 1 1380 128 128 SER HB2 H 3.882 0.005 2 1381 128 128 SER HB3 H 3.883 0.005 2 1382 128 128 SER C C 173.784 0.000 1 1383 128 128 SER CA C 58.447 0.040 1 1384 128 128 SER CB C 64.485 0.068 1 1385 128 128 SER N N 116.552 0.016 1 1386 129 129 ALA H H 8.541 0.007 1 1387 129 129 ALA HA H 5.065 0.006 1 1388 129 129 ALA HB H 0.860 0.005 1 1389 129 129 ALA C C 176.230 0.000 1 1390 129 129 ALA CA C 51.536 0.048 1 1391 129 129 ALA CB C 22.565 0.104 1 1392 129 129 ALA N N 124.092 0.007 1 1393 130 130 SER H H 7.989 0.004 1 1394 130 130 SER HA H 4.925 0.003 1 1395 130 130 SER HB2 H 3.804 0.005 2 1396 130 130 SER HB3 H 3.762 0.005 2 1397 130 130 SER C C 174.152 0.000 1 1398 130 130 SER CA C 56.327 0.045 1 1399 130 130 SER CB C 65.202 0.042 1 1400 130 130 SER N N 114.554 0.046 1 1401 131 131 VAL H H 9.235 0.007 1 1402 131 131 VAL HA H 4.549 0.002 1 1403 131 131 VAL HB H 1.768 0.006 1 1404 131 131 VAL HG1 H 0.411 0.007 2 1405 131 131 VAL HG2 H 0.343 0.005 2 1406 131 131 VAL C C 173.734 0.000 1 1407 131 131 VAL CA C 60.864 0.027 1 1408 131 131 VAL CB C 34.047 0.072 1 1409 131 131 VAL CG1 C 21.518 0.076 2 1410 131 131 VAL CG2 C 22.421 0.019 2 1411 131 131 VAL N N 125.551 0.035 1 1412 132 132 LYS H H 8.477 0.003 1 1413 132 132 LYS HA H 4.743 0.003 1 1414 132 132 LYS HB2 H 1.553 0.004 2 1415 132 132 LYS HB3 H 1.644 0.007 2 1416 132 132 LYS HD2 H 1.694 0.005 2 1417 132 132 LYS HD3 H 1.695 0.005 2 1418 132 132 LYS HE2 H 2.942 0.003 2 1419 132 132 LYS HE3 H 2.941 0.004 2 1420 132 132 LYS HG2 H 1.312 0.003 2 1421 132 132 LYS HG3 H 1.264 0.004 2 1422 132 132 LYS C C 174.852 0.000 1 1423 132 132 LYS CA C 53.138 0.033 1 1424 132 132 LYS CB C 35.718 0.036 1 1425 132 132 LYS CD C 28.550 0.000 1 1426 132 132 LYS CE C 42.151 0.002 1 1427 132 132 LYS CG C 24.203 0.005 1 1428 132 132 LYS N N 126.374 0.036 1 1429 133 133 ALA H H 10.440 0.004 1 1430 133 133 ALA HA H 5.068 0.001 1 1431 133 133 ALA HB H 1.170 0.003 1 1432 133 133 ALA C C 176.864 0.000 1 1433 133 133 ALA CA C 50.842 0.025 1 1434 133 133 ALA CB C 19.837 0.076 1 1435 133 133 ALA N N 128.326 0.026 1 1436 134 134 VAL H H 9.703 0.003 1 1437 134 134 VAL HA H 4.145 0.004 1 1438 134 134 VAL HB H 2.037 0.007 1 1439 134 134 VAL HG1 H 0.867 0.007 2 1440 134 134 VAL HG2 H 0.867 0.004 2 1441 134 134 VAL C C 175.601 0.000 1 1442 134 134 VAL CA C 62.463 0.034 1 1443 134 134 VAL CB C 33.497 0.092 1 1444 134 134 VAL CG1 C 20.681 0.088 2 1445 134 134 VAL CG2 C 20.681 0.088 2 1446 134 134 VAL N N 125.896 0.018 1 1447 135 135 VAL H H 8.946 0.005 1 1448 135 135 VAL HA H 4.751 0.007 1 1449 135 135 VAL HB H 2.070 0.007 1 1450 135 135 VAL HG1 H 0.834 0.002 2 1451 135 135 VAL HG2 H 0.751 0.005 2 1452 135 135 VAL C C 176.024 0.000 1 1453 135 135 VAL CA C 61.335 0.081 1 1454 135 135 VAL CB C 32.659 0.050 1 1455 135 135 VAL CG1 C 21.170 0.038 2 1456 135 135 VAL CG2 C 21.977 0.011 2 1457 135 135 VAL N N 130.910 0.016 1 1458 136 136 THR H H 9.020 0.004 1 1459 136 136 THR HA H 4.937 0.001 1 1460 136 136 THR HB H 4.113 0.002 1 1461 136 136 THR HG2 H 1.273 0.003 1 1462 136 136 THR CA C 59.703 0.033 1 1463 136 136 THR CB C 70.659 0.026 1 1464 136 136 THR CG2 C 21.108 0.000 1 1465 136 136 THR N N 125.864 0.027 1 1466 137 137 PRO HA H 4.731 0.003 1 1467 137 137 PRO HB2 H 2.401 0.003 2 1468 137 137 PRO HB3 H 2.056 0.005 2 1469 137 137 PRO HD2 H 4.014 0.003 2 1470 137 137 PRO HD3 H 3.927 0.005 2 1471 137 137 PRO HG2 H 2.240 0.003 2 1472 137 137 PRO HG3 H 2.023 0.003 2 1473 137 137 PRO C C 175.080 0.000 1 1474 137 137 PRO CA C 63.325 0.030 1 1475 137 137 PRO CB C 32.838 0.017 1 1476 137 137 PRO CD C 51.872 0.000 1 1477 137 137 PRO CG C 27.349 0.007 1 1478 138 138 LEU H H 8.517 0.005 1 1479 138 138 LEU HA H 4.870 0.002 1 1480 138 138 LEU HB2 H 1.500 0.003 2 1481 138 138 LEU HB3 H 1.217 0.006 2 1482 138 138 LEU HD1 H 0.865 0.005 2 1483 138 138 LEU HD2 H 0.683 0.007 2 1484 138 138 LEU HG H 1.563 0.005 1 1485 138 138 LEU CA C 52.092 0.022 1 1486 138 138 LEU CB C 44.540 0.000 1 1487 138 138 LEU CD1 C 22.282 0.055 2 1488 138 138 LEU CD2 C 26.512 0.017 2 1489 138 138 LEU CG C 26.667 0.004 1 1490 138 138 LEU N N 123.380 0.029 1 1491 139 139 PRO HA H 4.456 0.004 1 1492 139 139 PRO HB2 H 2.479 0.003 2 1493 139 139 PRO HB3 H 1.743 0.005 2 1494 139 139 PRO HD2 H 3.841 0.004 2 1495 139 139 PRO HD3 H 3.519 0.006 2 1496 139 139 PRO HG2 H 2.090 0.004 2 1497 139 139 PRO HG3 H 2.050 0.004 2 1498 139 139 PRO C C 175.666 0.000 1 1499 139 139 PRO CA C 63.353 0.072 1 1500 139 139 PRO CB C 32.716 0.006 1 1501 139 139 PRO CD C 50.444 0.000 1 1502 139 139 PRO CG C 27.790 0.000 1 1503 140 140 ARG H H 8.927 0.005 1 1504 140 140 ARG HA H 3.892 0.004 1 1505 140 140 ARG HB2 H 2.048 0.004 2 1506 140 140 ARG HB3 H 1.931 0.008 2 1507 140 140 ARG HD2 H 3.290 0.008 2 1508 140 140 ARG HD3 H 3.205 0.007 2 1509 140 140 ARG HG2 H 1.549 0.003 2 1510 140 140 ARG HG3 H 1.550 0.005 2 1511 140 140 ARG C C 176.165 0.000 1 1512 140 140 ARG CA C 56.927 0.044 1 1513 140 140 ARG CB C 26.571 0.025 1 1514 140 140 ARG CD C 43.472 0.029 1 1515 140 140 ARG CG C 27.710 0.000 1 1516 140 140 ARG N N 114.738 0.033 1 1517 141 141 ASN H H 8.831 0.002 1 1518 141 141 ASN HA H 4.636 0.005 1 1519 141 141 ASN HB2 H 3.438 0.003 2 1520 141 141 ASN HB3 H 2.438 0.005 2 1521 141 141 ASN HD21 H 8.191 0.002 2 1522 141 141 ASN HD22 H 6.367 0.001 2 1523 141 141 ASN C C 174.085 0.000 1 1524 141 141 ASN CA C 53.456 0.039 1 1525 141 141 ASN CB C 37.293 0.044 1 1526 141 141 ASN N N 116.362 0.058 1 1527 141 141 ASN ND2 N 110.536 0.041 1 1528 142 142 ARG H H 6.823 0.003 1 1529 142 142 ARG HA H 5.600 0.006 1 1530 142 142 ARG HB2 H 1.776 0.006 2 1531 142 142 ARG HB3 H 1.538 0.004 2 1532 142 142 ARG HD2 H 3.281 0.005 2 1533 142 142 ARG HD3 H 3.184 0.007 2 1534 142 142 ARG HG2 H 1.673 0.006 2 1535 142 142 ARG HG3 H 1.656 0.008 2 1536 142 142 ARG C C 176.364 0.000 1 1537 142 142 ARG CA C 53.979 0.035 1 1538 142 142 ARG CB C 35.214 0.008 1 1539 142 142 ARG CD C 43.959 0.000 1 1540 142 142 ARG CG C 27.830 0.000 1 1541 142 142 ARG N N 116.236 0.017 1 1542 143 143 VAL H H 8.661 0.003 1 1543 143 143 VAL HA H 5.307 0.004 1 1544 143 143 VAL HB H 1.942 0.005 1 1545 143 143 VAL HG1 H 0.718 0.004 2 1546 143 143 VAL HG2 H 0.641 0.004 2 1547 143 143 VAL C C 174.716 0.000 1 1548 143 143 VAL CA C 58.844 0.053 1 1549 143 143 VAL CB C 36.013 0.055 1 1550 143 143 VAL CG1 C 22.588 0.020 2 1551 143 143 VAL CG2 C 18.599 0.025 2 1552 143 143 VAL N N 111.014 0.018 1 1553 144 144 ASP H H 8.835 0.003 1 1554 144 144 ASP HA H 4.788 0.005 1 1555 144 144 ASP HB2 H 2.741 0.005 2 1556 144 144 ASP HB3 H 2.403 0.003 2 1557 144 144 ASP C C 174.240 0.000 1 1558 144 144 ASP CA C 53.589 0.041 1 1559 144 144 ASP CB C 43.586 0.009 1 1560 144 144 ASP N N 123.423 0.056 1 1561 145 145 LEU H H 8.221 0.003 1 1562 145 145 LEU HA H 4.928 0.008 1 1563 145 145 LEU HB2 H 2.036 0.004 2 1564 145 145 LEU HB3 H 1.034 0.005 2 1565 145 145 LEU HD1 H 0.745 0.005 2 1566 145 145 LEU HD2 H 1.382 0.006 2 1567 145 145 LEU HG H 0.709 0.008 1 1568 145 145 LEU C C 173.219 0.000 1 1569 145 145 LEU CA C 53.566 0.053 1 1570 145 145 LEU CB C 44.529 0.054 1 1571 145 145 LEU CD1 C 24.045 0.000 2 1572 145 145 LEU CD2 C 27.445 0.016 2 1573 145 145 LEU CG C 25.901 0.026 1 1574 145 145 LEU N N 125.100 0.013 1 1575 146 146 LYS H H 8.920 0.003 1 1576 146 146 LYS HA H 5.056 0.004 1 1577 146 146 LYS HB2 H 1.708 0.004 2 1578 146 146 LYS HB3 H 1.620 0.004 2 1579 146 146 LYS HD2 H 1.586 0.004 2 1580 146 146 LYS HD3 H 1.552 0.006 2 1581 146 146 LYS HE2 H 2.870 0.006 2 1582 146 146 LYS HE3 H 2.806 0.004 2 1583 146 146 LYS HG2 H 1.180 0.002 2 1584 146 146 LYS HG3 H 1.050 0.006 2 1585 146 146 LYS C C 174.108 0.000 1 1586 146 146 LYS CA C 54.060 0.043 1 1587 146 146 LYS CB C 34.532 0.037 1 1588 146 146 LYS CD C 29.196 0.000 1 1589 146 146 LYS CE C 41.226 0.000 1 1590 146 146 LYS CG C 24.413 0.008 1 1591 146 146 LYS N N 129.979 0.022 1 1592 147 147 LEU H H 8.893 0.003 1 1593 147 147 LEU HA H 4.894 0.004 1 1594 147 147 LEU HB2 H 2.171 0.005 2 1595 147 147 LEU HB3 H 1.227 0.008 2 1596 147 147 LEU HD1 H 0.812 0.004 2 1597 147 147 LEU HD2 H 0.705 0.005 2 1598 147 147 LEU HG H 1.662 0.007 1 1599 147 147 LEU C C 173.855 0.000 1 1600 147 147 LEU CA C 52.837 0.048 1 1601 147 147 LEU CB C 42.337 0.051 1 1602 147 147 LEU CD1 C 25.041 0.098 2 1603 147 147 LEU CD2 C 24.446 0.000 2 1604 147 147 LEU CG C 27.872 0.021 1 1605 147 147 LEU N N 129.462 0.037 1 1606 148 148 VAL H H 8.899 0.003 1 1607 148 148 VAL HA H 4.708 0.002 1 1608 148 148 VAL HB H 2.080 0.002 1 1609 148 148 VAL HG1 H 0.897 0.003 2 1610 148 148 VAL HG2 H 0.867 0.005 2 1611 148 148 VAL C C 175.744 0.000 1 1612 148 148 VAL CA C 61.733 0.037 1 1613 148 148 VAL CB C 32.817 0.039 1 1614 148 148 VAL CG1 C 21.229 0.000 2 1615 148 148 VAL CG2 C 21.360 0.000 2 1616 148 148 VAL N N 124.352 0.034 1 1617 149 149 PHE H H 9.536 0.005 1 1618 149 149 PHE HA H 4.947 0.003 1 1619 149 149 PHE HB2 H 2.933 0.003 2 1620 149 149 PHE HB3 H 2.297 0.004 2 1621 149 149 PHE HD1 H 7.021 0.012 3 1622 149 149 PHE HD2 H 7.020 0.012 3 1623 149 149 PHE HE1 H 7.230 0.003 3 1624 149 149 PHE HE2 H 7.233 0.003 3 1625 149 149 PHE HZ H 7.221 0.002 1 1626 149 149 PHE C C 175.483 0.000 1 1627 149 149 PHE CA C 56.793 0.047 1 1628 149 149 PHE CB C 40.806 0.047 1 1629 149 149 PHE CD1 C 133.287 0.010 3 1630 149 149 PHE CD2 C 133.284 0.022 3 1631 149 149 PHE CE1 C 131.100 0.000 3 1632 149 149 PHE CE2 C 131.100 0.000 3 1633 149 149 PHE CZ C 129.279 0.018 1 1634 149 149 PHE N N 127.716 0.041 1 1635 150 150 GLN H H 8.766 0.002 1 1636 150 150 GLN HA H 4.809 0.002 1 1637 150 150 GLN HB2 H 2.075 0.003 2 1638 150 150 GLN HB3 H 1.953 0.007 2 1639 150 150 GLN HE21 H 7.482 0.002 2 1640 150 150 GLN HE22 H 6.822 0.001 2 1641 150 150 GLN HG2 H 2.263 0.005 2 1642 150 150 GLN HG3 H 2.260 0.004 2 1643 150 150 GLN C C 175.927 0.000 1 1644 150 150 GLN CA C 54.457 0.031 1 1645 150 150 GLN CB C 30.112 0.022 1 1646 150 150 GLN CG C 33.747 0.025 1 1647 150 150 GLN N N 121.502 0.014 1 1648 150 150 GLN NE2 N 111.281 0.023 1 1649 151 151 GLU H H 9.230 0.003 1 1650 151 151 GLU HA H 4.184 0.001 1 1651 151 151 GLU HB2 H 2.126 0.003 2 1652 151 151 GLU HB3 H 1.931 0.008 2 1653 151 151 GLU HG2 H 2.311 0.002 2 1654 151 151 GLU HG3 H 2.300 0.006 2 1655 151 151 GLU C C 177.408 0.000 1 1656 151 151 GLU CA C 57.480 0.051 1 1657 151 151 GLU CB C 30.548 0.082 1 1658 151 151 GLU CG C 34.386 0.000 1 1659 151 151 GLU N N 126.694 0.044 1 1660 152 152 GLY H H 8.790 0.003 1 1661 152 152 GLY HA2 H 4.122 0.003 2 1662 152 152 GLY HA3 H 4.040 0.003 2 1663 152 152 GLY C C 173.883 0.000 1 1664 152 152 GLY CA C 45.603 0.034 1 1665 152 152 GLY N N 111.180 0.069 1 1666 153 153 VAL H H 7.749 0.008 1 1667 153 153 VAL HA H 4.273 0.006 1 1668 153 153 VAL HB H 2.121 0.003 1 1669 153 153 VAL HG1 H 0.947 0.003 2 1670 153 153 VAL HG2 H 0.928 0.007 2 1671 153 153 VAL C C 175.780 0.000 1 1672 153 153 VAL CA C 61.817 0.037 1 1673 153 153 VAL CB C 33.213 0.045 1 1674 153 153 VAL CG1 C 21.219 0.000 2 1675 153 153 VAL CG2 C 20.073 0.007 2 1676 153 153 VAL N N 118.002 0.047 1 1677 154 154 SER H H 8.404 0.007 1 1678 154 154 SER HA H 4.435 0.006 1 1679 154 154 SER HB2 H 3.849 0.005 2 1680 154 154 SER HB3 H 3.848 0.005 2 1681 154 154 SER C C 174.576 0.000 1 1682 154 154 SER CA C 57.931 0.039 1 1683 154 154 SER CB C 63.880 0.052 1 1684 154 154 SER N N 118.582 0.044 1 1685 155 155 LEU H H 8.337 0.006 1 1686 155 155 LEU HA H 4.350 0.005 1 1687 155 155 LEU HB2 H 1.546 0.012 2 1688 155 155 LEU HB3 H 1.543 0.012 2 1689 155 155 LEU HD1 H 0.843 0.011 2 1690 155 155 LEU HD2 H 0.839 0.010 2 1691 155 155 LEU HG H 1.558 0.007 1 1692 155 155 LEU C C 176.390 0.000 1 1693 155 155 LEU CA C 55.201 0.035 1 1694 155 155 LEU CB C 42.348 0.036 1 1695 155 155 LEU CD1 C 25.118 0.006 2 1696 155 155 LEU CD2 C 23.351 0.030 2 1697 155 155 LEU CG C 27.057 0.014 1 1698 155 155 LEU N N 125.032 0.014 1 stop_ save_