data_18249 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone and side-chain resonance assignments of reduced CcmG from Escherichia coli ; _BMRB_accession_number 18249 _BMRB_flat_file_name bmr18249.str _Entry_type original _Submission_date 2012-02-09 _Accession_date 2012-02-09 _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 Wu Chengyan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 807 "13C chemical shifts" 639 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-15 update BMRB 'update entry citation' 2013-02-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N backbone and side-chain resonance assignments of reduced CcmG from Escherichia coli.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22585086 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Chengyan . . 2 Hong Jing . . 3 Liao Xinli . . 4 Guo Chenyun . . 5 Wu Xueji . . 6 Hu Hongyu . . 7 Lin Donghai . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 105 _Page_last 108 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CcmG _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CcmG $CcmG 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_CcmG _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CcmG _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; ALLWQLARNAEGDDPTNLES ALIGKPVPKFRLESLDNPGQ FYQADVLTQGKPVLLNVWAT WCPTCRAEHQYLNQLSAQGI RVVGMNYKDDRQKAISWLKE LGNPYALSLFDGDGMLGLDL GVYGAPETFLIDGNGIIRYR HAGDLNPRVWEEEIKPLWEK YSKEAAQLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 LEU 3 LEU 4 TRP 5 GLN 6 LEU 7 ALA 8 ARG 9 ASN 10 ALA 11 GLU 12 GLY 13 ASP 14 ASP 15 PRO 16 THR 17 ASN 18 LEU 19 GLU 20 SER 21 ALA 22 LEU 23 ILE 24 GLY 25 LYS 26 PRO 27 VAL 28 PRO 29 LYS 30 PHE 31 ARG 32 LEU 33 GLU 34 SER 35 LEU 36 ASP 37 ASN 38 PRO 39 GLY 40 GLN 41 PHE 42 TYR 43 GLN 44 ALA 45 ASP 46 VAL 47 LEU 48 THR 49 GLN 50 GLY 51 LYS 52 PRO 53 VAL 54 LEU 55 LEU 56 ASN 57 VAL 58 TRP 59 ALA 60 THR 61 TRP 62 CYS 63 PRO 64 THR 65 CYS 66 ARG 67 ALA 68 GLU 69 HIS 70 GLN 71 TYR 72 LEU 73 ASN 74 GLN 75 LEU 76 SER 77 ALA 78 GLN 79 GLY 80 ILE 81 ARG 82 VAL 83 VAL 84 GLY 85 MET 86 ASN 87 TYR 88 LYS 89 ASP 90 ASP 91 ARG 92 GLN 93 LYS 94 ALA 95 ILE 96 SER 97 TRP 98 LEU 99 LYS 100 GLU 101 LEU 102 GLY 103 ASN 104 PRO 105 TYR 106 ALA 107 LEU 108 SER 109 LEU 110 PHE 111 ASP 112 GLY 113 ASP 114 GLY 115 MET 116 LEU 117 GLY 118 LEU 119 ASP 120 LEU 121 GLY 122 VAL 123 TYR 124 GLY 125 ALA 126 PRO 127 GLU 128 THR 129 PHE 130 LEU 131 ILE 132 ASP 133 GLY 134 ASN 135 GLY 136 ILE 137 ILE 138 ARG 139 TYR 140 ARG 141 HIS 142 ALA 143 GLY 144 ASP 145 LEU 146 ASN 147 PRO 148 ARG 149 VAL 150 TRP 151 GLU 152 GLU 153 GLU 154 ILE 155 LYS 156 PRO 157 LEU 158 TRP 159 GLU 160 LYS 161 TYR 162 SER 163 LYS 164 GLU 165 ALA 166 ALA 167 GLN 168 LEU 169 GLU 170 HIS 171 HIS 172 HIS 173 HIS 174 HIS 175 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 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 1Z5Y "Crystal Structure Of The Disulfide-linked Complex Between The N-terminal Domain Of The Electron Transfer Catalyst Dsbd And The " 86.29 149 98.01 98.01 6.21e-103 PDB 2B1K "Crystal Structure Of E. Coli Ccmg Protein" 95.43 168 100.00 100.00 1.83e-118 PDB 2B1L "Crystal Structure Of N-Terminal 57 Residue Deletion Mutant Of E. Coli Ccmg Protein(Residues 58-185)" 73.14 129 100.00 100.00 1.27e-88 PDB 2G0F "Crystal Structure Of P144a Mutant Of E.Coli Ccmg Protein" 95.43 168 99.40 99.40 1.24e-117 PDB 3K8N "Crystal Structure Of E. Coli Ccmg" 95.43 185 100.00 100.00 8.48e-119 DBJ BAB36507 "thiol:disulfide interchange protein DsbE [Escherichia coli O157:H7 str. Sakai]" 95.43 185 100.00 100.00 8.48e-119 DBJ BAE76658 "periplasmic thioredoxin of cytochrome c-type biogenesis [Escherichia coli str. K12 substr. W3110]" 95.43 185 100.00 100.00 8.48e-119 DBJ BAG77987 "disulfide oxidoreductase [Escherichia coli SE11]" 95.43 185 100.00 100.00 8.48e-119 DBJ BAI26333 "periplasmic thioredoxin CcmG of cytochrome c-type biogenesis [Escherichia coli O26:H11 str. 11368]" 95.43 185 100.00 100.00 8.48e-119 DBJ BAI31441 "periplasmic thioredoxin CcmG of cytochrome c-type biogenesis [Escherichia coli O103:H2 str. 12009]" 95.43 185 100.00 100.00 8.48e-119 EMBL CAP76697 "Thiol:disulfide interchange protein dsbE [Escherichia coli LF82]" 95.43 185 100.00 100.00 8.48e-119 EMBL CAQ32598 "ccmG, subunit of CcmEFGH holocytochrome c synthetase [Escherichia coli BL21(DE3)]" 95.43 185 100.00 100.00 8.48e-119 EMBL CAQ89786 "periplasmic thioredoxin of cytochrome c-type biogenesis [Escherichia fergusonii ATCC 35469]" 95.43 185 100.00 100.00 8.48e-119 EMBL CAQ99122 "periplasmic thioredoxin of cytochrome c-type biogenesis [Escherichia coli IAI1]" 95.43 185 100.00 100.00 8.48e-119 EMBL CAR03623 "periplasmic thioredoxin of cytochrome c-type biogenesis [Escherichia coli S88]" 95.43 185 100.00 100.00 8.48e-119 GB AAA16387 "yejQ [Escherichia coli]" 95.43 185 100.00 100.00 8.48e-119 GB AAC75255 "periplasmic thioredoxin of cytochrome c-type biogenesis [Escherichia coli str. K-12 substr. MG1655]" 95.43 185 100.00 100.00 8.48e-119 GB AAG57330 "disulfide oxidoreductase (in biogenesis of cytochrome c [Escherichia coli O157:H7 str. EDL933]" 95.43 185 100.00 100.00 8.48e-119 GB AAN43798 "disulfide oxidoreductase [Shigella flexneri 2a str. 301]" 95.43 185 100.00 100.00 8.48e-119 GB AAN81186 "Thiol:disulfide interchange protein dsbE [Escherichia coli CFT073]" 95.43 185 99.40 99.40 1.11e-117 REF NP_311111 "DsbE [Escherichia coli O157:H7 str. Sakai]" 95.43 185 100.00 100.00 8.48e-119 REF NP_416699 "periplasmic thioredoxin of cytochrome c-type biogenesis [Escherichia coli str. K-12 substr. MG1655]" 95.43 185 100.00 100.00 8.48e-119 REF NP_708091 "thiol:disulfide interchange protein DsbE [Shigella flexneri 2a str. 301]" 95.43 185 100.00 100.00 8.48e-119 REF WP_000824435 "thiol:disulfide interchange protein [Escherichia coli]" 95.43 185 99.40 99.40 1.11e-117 REF WP_000824436 "thiol:disulfide interchange protein [Shigella boydii]" 95.43 185 99.40 99.40 2.51e-117 SP P0AA86 "RecName: Full=Thiol:disulfide interchange protein DsbE; AltName: Full=Cytochrome c biogenesis protein CcmG" 95.43 185 100.00 100.00 8.48e-119 SP P0AA87 "RecName: Full=Thiol:disulfide interchange protein DsbE; AltName: Full=Cytochrome c biogenesis protein CcmG" 95.43 185 100.00 100.00 8.48e-119 SP P0AA88 "RecName: Full=Thiol:disulfide interchange protein DsbE; AltName: Full=Cytochrome c biogenesis protein CcmG" 95.43 185 100.00 100.00 8.48e-119 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CcmG 'E. coli' 562 Bacteria . Escherichia coli 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 $CcmG 'recombinant technology' . Escherichia coli . pET22b 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 $CcmG 1 mM '[U-100% 13C; U-100% 15N]' DTT 10 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CcmG 1 mM '[U-100% 13C; U-100% 15N]' DTT 10 mM 'natural abundance' D2O 100 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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' 0.1 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D H(CCO)NH' '3D 1H-15N TOCSY' 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 CcmG _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 LEU HA H 4.728 0.004 1 2 2 2 LEU HB2 H 2.796 0.000 2 3 2 2 LEU C C 178.273 0.000 1 4 2 2 LEU CA C 55.741 0.040 1 5 2 2 LEU CB C 43.066 0.069 1 6 2 2 LEU CG C 27.739 0.000 1 7 2 2 LEU CD1 C 25.397 0.000 2 8 2 2 LEU CD2 C 23.908 0.000 2 9 3 3 LEU H H 8.319 0.015 1 10 3 3 LEU HA H 4.223 0.005 1 11 3 3 LEU HB2 H 1.531 0.001 2 12 3 3 LEU C C 178.368 0.000 1 13 3 3 LEU CA C 56.652 0.060 1 14 3 3 LEU CB C 43.018 0.087 1 15 3 3 LEU CG C 27.754 0.000 1 16 3 3 LEU CD1 C 25.304 0.000 2 17 3 3 LEU CD2 C 23.881 0.000 2 18 3 3 LEU N N 124.209 0.000 1 19 4 4 TRP H H 7.944 0.003 1 20 4 4 TRP HA H 4.577 0.014 1 21 4 4 TRP HB2 H 3.251 0.009 2 22 4 4 TRP HB3 H 2.118 0.000 2 23 4 4 TRP C C 177.294 0.004 1 24 4 4 TRP CA C 58.262 0.107 1 25 4 4 TRP CB C 29.993 0.096 1 26 4 4 TRP N N 121.069 0.066 1 27 5 5 GLN H H 7.902 0.003 1 28 5 5 GLN HA H 4.075 0.000 1 29 5 5 GLN HB2 H 1.809 0.000 2 30 5 5 GLN C C 176.707 0.001 1 31 5 5 GLN CA C 56.952 0.081 1 32 5 5 GLN CB C 30.371 0.035 1 33 5 5 GLN CG C 34.242 0.000 1 34 5 5 GLN N N 121.909 0.077 1 35 6 6 LEU H H 7.895 0.002 1 36 6 6 LEU HA H 4.175 0.000 1 37 6 6 LEU HB2 H 1.542 0.000 2 38 6 6 LEU C C 178.241 0.025 1 39 6 6 LEU CA C 56.237 0.025 1 40 6 6 LEU CB C 43.255 0.073 1 41 6 6 LEU CG C 27.631 0.000 1 42 6 6 LEU CD1 C 25.541 0.000 2 43 6 6 LEU CD2 C 24.069 0.000 2 44 6 6 LEU N N 122.942 0.059 1 45 7 7 ALA H H 8.14 0.003 1 46 7 7 ALA HA H 4.335 0.025 1 47 7 7 ALA HB H 1.404 0.017 1 48 7 7 ALA C C 178.775 0.092 1 49 7 7 ALA CA C 53.641 0.023 1 50 7 7 ALA CB C 20.017 0.036 1 51 7 7 ALA N N 125.067 0.065 1 52 8 8 ARG H H 8.497 0.003 1 53 8 8 ARG C C 178.227 0.000 1 54 8 8 ARG CA C 58.159 0.082 1 55 8 8 ARG CB C 30.921 0.000 1 56 8 8 ARG N N 120.518 0.062 1 57 9 9 ASN HA H 4.744 0.000 1 58 9 9 ASN HB2 H 2.829 0.000 2 59 9 9 ASN C C 175.971 0.012 1 60 9 9 ASN CA C 54.026 0.013 1 61 9 9 ASN CB C 39.675 0.016 1 62 10 10 ALA H H 8.617 0.003 1 63 10 10 ALA HA H 4.284 0.017 1 64 10 10 ALA HB H 1.396 0.022 1 65 10 10 ALA C C 178.921 0.010 1 66 10 10 ALA CA C 53.836 0.109 1 67 10 10 ALA CB C 20.116 0.020 1 68 10 10 ALA N N 125.813 0.051 1 69 11 11 GLU H H 8.364 0.009 1 70 11 11 GLU HA H 4.252 0.013 1 71 11 11 GLU HB2 H 1.937 0.012 2 72 11 11 GLU HB3 H 2.045 0.021 2 73 11 11 GLU HG2 H 2.258 0.016 2 74 11 11 GLU HG3 H 1.985 0.000 2 75 11 11 GLU C C 178.148 0.004 1 76 11 11 GLU CA C 57.877 0.090 1 77 11 11 GLU CB C 30.981 0.059 1 78 11 11 GLU CG C 37.132 0.000 1 79 11 11 GLU N N 120.052 0.059 1 80 12 12 GLY H H 8.268 0.008 1 81 12 12 GLY HA2 H 4.753 0.003 2 82 12 12 GLY HA3 H 3.933 0.016 2 83 12 12 GLY C C 174.862 0.009 1 84 12 12 GLY CA C 46.165 0.039 1 85 12 12 GLY N N 110.098 0.052 1 86 13 13 ASP H H 8.148 0.006 1 87 13 13 ASP HA H 4.608 0.011 1 88 13 13 ASP HB2 H 2.595 0.021 2 89 13 13 ASP C C 176.844 0.009 1 90 13 13 ASP CA C 55.093 0.023 1 91 13 13 ASP CB C 42.267 0.010 1 92 13 13 ASP N N 120.96 0.060 1 93 14 14 ASP H H 8.327 0.003 1 94 14 14 ASP HA H 4.837 0.000 1 95 14 14 ASP HB2 H 2.761 0.003 2 96 14 14 ASP HB3 H 2.539 0.007 2 97 14 14 ASP C C 176.034 0.000 1 98 14 14 ASP CA C 53.152 0.033 1 99 14 14 ASP CB C 42.183 0.000 1 100 14 14 ASP N N 122.279 0.048 1 101 15 15 PRO HA H 4.45 0.020 1 102 15 15 PRO HB2 H 2.283 0.018 2 103 15 15 PRO HB3 H 1.971 0.017 2 104 15 15 PRO HG2 H 2.016 0.000 2 105 15 15 PRO HD2 H 3.802 0.030 2 106 15 15 PRO C C 178.632 0.006 1 107 15 15 PRO CA C 64.656 0.018 1 108 15 15 PRO CB C 33.018 0.070 1 109 15 15 PRO CG C 27.961 0.000 1 110 15 15 PRO CD C 51.628 0.000 1 111 16 16 THR H H 8.329 0.003 1 112 16 16 THR HA H 4.203 0.018 1 113 16 16 THR HG1 H 4.752 0.004 1 114 16 16 THR HG2 H 1.213 0.012 1 115 16 16 THR C C 175.743 0.005 1 116 16 16 THR CA C 63.787 0.090 1 117 16 16 THR CB C 70.546 0.073 1 118 16 16 THR CG2 C 22.414 0.000 1 119 16 16 THR N N 113.862 0.054 1 120 17 17 ASN H H 8.152 0.003 1 121 17 17 ASN HA H 4.701 0.022 1 122 17 17 ASN HB2 H 2.853 0.010 2 123 17 17 ASN HB3 H 2.74 0.020 2 124 17 17 ASN C C 176.371 0.004 1 125 17 17 ASN CA C 54.274 0.075 1 126 17 17 ASN CB C 39.597 0.016 1 127 17 17 ASN N N 121.255 0.055 1 128 18 18 LEU H H 8.177 0.006 1 129 18 18 LEU HA H 4.295 0.013 1 130 18 18 LEU HB2 H 1.621 0.012 2 131 18 18 LEU HB3 H 1.39 0.000 2 132 18 18 LEU HG H 1.985 0.000 1 133 18 18 LEU HD2 H 0.865 0.012 2 134 18 18 LEU C C 179.089 0.006 1 135 18 18 LEU CA C 56.548 0.087 1 136 18 18 LEU CB C 43.139 0.084 1 137 18 18 LEU CG C 27.677 0.000 1 138 18 18 LEU CD1 C 25.532 0.000 2 139 18 18 LEU CD2 C 23.799 0.000 2 140 18 18 LEU N N 123.367 0.054 1 141 19 19 GLU H H 8.41 0.003 1 142 19 19 GLU HA H 4.209 0.017 1 143 19 19 GLU HB2 H 1.714 0.000 2 144 19 19 GLU HB3 H 1.989 0.016 2 145 19 19 GLU HG2 H 2.271 0.012 2 146 19 19 GLU C C 178.112 0.006 1 147 19 19 GLU CA C 58.188 0.096 1 148 19 19 GLU CB C 30.908 0.087 1 149 19 19 GLU CG C 37.156 0.000 1 150 19 19 GLU N N 121.81 0.055 1 151 20 20 SER H H 8.242 0.003 1 152 20 20 SER HA H 4.406 0.013 1 153 20 20 SER HB2 H 3.901 0.011 2 154 20 20 SER HB3 H 3.777 0.017 2 155 20 20 SER HG H 4.759 0.007 1 156 20 20 SER C C 176.447 0.019 1 157 20 20 SER CA C 59.355 0.058 1 158 20 20 SER CB C 64.681 0.040 1 159 20 20 SER N N 116.125 0.057 1 160 21 21 ALA H H 8.368 0.006 1 161 21 21 ALA HA H 4.279 0.011 1 162 21 21 ALA HB H 1.441 0.011 1 163 21 21 ALA C C 178.882 0.003 1 164 21 21 ALA CA C 54.555 0.105 1 165 21 21 ALA CB C 19.792 0.031 1 166 21 21 ALA N N 128.209 0.044 1 167 22 22 LEU H H 8.278 0.004 1 168 22 22 LEU HA H 4.149 0.015 1 169 22 22 LEU HB2 H 1.708 0.009 2 170 22 22 LEU HB3 H 1.678 0.006 2 171 22 22 LEU HG H 1.632 0.000 1 172 22 22 LEU HD1 H 0.88 0.001 2 173 22 22 LEU C C 177.415 0.001 1 174 22 22 LEU CA C 56.146 0.105 1 175 22 22 LEU CB C 43.274 0.046 1 176 22 22 LEU CG C 28.273 0.000 1 177 22 22 LEU CD1 C 26.236 0.000 2 178 22 22 LEU CD2 C 24.301 0.000 2 179 22 22 LEU N N 117.551 0.054 1 180 23 23 ILE H H 7.181 0.006 1 181 23 23 ILE HA H 3.58 0.019 1 182 23 23 ILE HB H 1.992 0.006 1 183 23 23 ILE HG2 H 0.912 0.007 1 184 23 23 ILE HD1 H 0.634 0.007 1 185 23 23 ILE C C 179.182 0.010 1 186 23 23 ILE CA C 62.656 0.038 1 187 23 23 ILE CB C 35.694 0.059 1 188 23 23 ILE CG2 C 18.601 0.000 1 189 23 23 ILE CD1 C 10.794 0.000 1 190 23 23 ILE N N 117.731 0.076 1 191 24 24 GLY H H 9.389 0.009 1 192 24 24 GLY HA2 H 4.302 0.008 2 193 24 24 GLY HA3 H 3.399 0.004 2 194 24 24 GLY C C 174.737 0.009 1 195 24 24 GLY CA C 46.053 0.037 1 196 24 24 GLY N N 116.333 0.065 1 197 25 25 LYS H H 8.168 0.006 1 198 25 25 LYS HA H 4.167 0.003 1 199 25 25 LYS HB2 H 1.488 0.001 2 200 25 25 LYS HB3 H 1.26 0.000 2 201 25 25 LYS HG2 H 1.994 0.000 2 202 25 25 LYS HE2 H 3.181 0.000 2 203 25 25 LYS HZ H 6.883 0.000 1 204 25 25 LYS C C 173.993 0.000 1 205 25 25 LYS CA C 53.811 0.000 1 206 25 25 LYS CB C 33.234 0.000 1 207 25 25 LYS N N 122.218 0.053 1 208 26 26 PRO HA H 4.784 0.015 1 209 26 26 PRO HB2 H 2.187 0.005 2 210 26 26 PRO HB3 H 1.743 0.000 2 211 26 26 PRO HG2 H 1.954 0.000 2 212 26 26 PRO HD2 H 3.798 0.000 2 213 26 26 PRO HD3 H 3.575 0.000 2 214 26 26 PRO C C 177.664 0.025 1 215 26 26 PRO CA C 62.78 0.019 1 216 26 26 PRO CB C 32.825 0.023 1 217 26 26 PRO CG C 28.407 0.000 1 218 26 26 PRO CD C 51.384 0.000 1 219 27 27 VAL H H 8.309 0.005 1 220 27 27 VAL HA H 3.954 0.007 1 221 27 27 VAL HG1 H 0.416 0.000 2 222 27 27 VAL HG2 H 0.536 0.001 2 223 27 27 VAL C C 174.826 0.000 1 224 27 27 VAL CA C 61.177 0.051 1 225 27 27 VAL CB C 33.601 0.000 1 226 27 27 VAL N N 122.108 0.077 1 227 28 28 PRO HA H 4.232 0.008 1 228 28 28 PRO HB2 H 2.236 0.002 2 229 28 28 PRO HB3 H 1.478 0.003 2 230 28 28 PRO HG2 H 1.809 0.000 2 231 28 28 PRO HG3 H 1.740 0.014 2 232 28 28 PRO HD2 H 3.754 0.000 1 233 28 28 PRO HD3 H 3.209 0.003 1 234 28 28 PRO CA C 63.859 0.000 1 235 28 28 PRO CB C 33.316 0.000 1 236 28 28 PRO CG C 28.649 0.000 1 237 28 28 PRO CD C 52.141 0.000 1 238 29 29 LYS H H 7.969 0.005 1 239 29 29 LYS HA H 4.167 0.013 1 240 29 29 LYS HB2 H 1.689 0.014 2 241 29 29 LYS HB3 H 1.64 0.000 2 242 29 29 LYS HG2 H 1.411 0.000 2 243 29 29 LYS HE2 H 2.983 0.000 2 244 29 29 LYS C C 177.846 0.009 1 245 29 29 LYS CA C 56.702 0.075 1 246 29 29 LYS CB C 32.032 0.093 1 247 29 29 LYS CG C 25.383 0.000 1 248 29 29 LYS CD C 29.608 0.000 1 249 29 29 LYS CE C 43.105 0.000 1 250 29 29 LYS N N 120.09 0.043 1 251 30 30 PHE H H 7.589 0.003 1 252 30 30 PHE HA H 4.809 0.014 1 253 30 30 PHE HB2 H 3.148 0.015 2 254 30 30 PHE HD1 H 7.268 0.003 3 255 30 30 PHE HE1 H 7.042 0.009 3 256 30 30 PHE C C 175.382 0.010 1 257 30 30 PHE CA C 55.952 0.012 1 258 30 30 PHE CB C 41.182 0.098 1 259 30 30 PHE N N 120.513 0.065 1 260 31 31 ARG H H 8.446 0.016 1 261 31 31 ARG HA H 4.63 0.020 1 262 31 31 ARG HB2 H 1.755 0.016 2 263 31 31 ARG HG2 H 1.516 0.000 2 264 31 31 ARG HD2 H 2.895 0.000 2 265 31 31 ARG C C 176.08 0.076 1 266 31 31 ARG CA C 57.603 0.012 1 267 31 31 ARG CB C 32.23 0.033 1 268 31 31 ARG CG C 28.207 0.000 1 269 31 31 ARG CD C 44.251 0.000 1 270 31 31 ARG N N 120.78 0.080 1 271 32 32 LEU H H 8.98 0.003 1 272 32 32 LEU HA H 4.87 0.015 1 273 32 32 LEU HB2 H 2.074 0.005 2 274 32 32 LEU HB3 H 1.446 0.008 2 275 32 32 LEU HG H 1.654 0.108 1 276 32 32 LEU HD1 H 0.736 0.011 2 277 32 32 LEU HD2 H 0.901 0.009 2 278 32 32 LEU C C 175.738 0.000 1 279 32 32 LEU CA C 54.133 0.046 1 280 32 32 LEU CB C 44.574 0.077 1 281 32 32 LEU CG C 28.03 0.000 1 282 32 32 LEU CD1 C 25.266 0.000 2 283 32 32 LEU N N 125.756 0.071 1 284 33 33 GLU H H 9.527 0.040 1 285 33 33 GLU HA H 4.466 0.008 1 286 33 33 GLU HB2 H 1.916 0.016 2 287 33 33 GLU HB3 H 1.595 0.000 2 288 33 33 GLU HG2 H 2.502 0.011 2 289 33 33 GLU HG3 H 2.658 0.000 2 290 33 33 GLU C C 176.731 0.012 1 291 33 33 GLU CA C 55.871 0.073 1 292 33 33 GLU CB C 33.195 0.033 1 293 33 33 GLU CG C 37.121 0.000 1 294 33 33 GLU N N 126.121 0.070 1 295 34 34 SER H H 8.231 0.014 1 296 34 34 SER HA H 4.528 0.016 1 297 34 34 SER HB2 H 4.137 0.000 2 298 34 34 SER HG H 6.681 0.000 1 299 34 34 SER C C 176.445 0.000 1 300 34 34 SER CA C 59.245 0.050 1 301 34 34 SER CB C 65.281 0.073 1 302 34 34 SER N N 118.85 0.042 1 303 35 35 LEU H H 8.634 0.018 1 304 35 35 LEU HA H 3.874 0.013 1 305 35 35 LEU HB2 H 1.745 0.009 2 306 35 35 LEU HB3 H 1.153 0.008 2 307 35 35 LEU HG H 1.422 0.014 1 308 35 35 LEU HD1 H 1.054 0.000 2 309 35 35 LEU HD2 H 0.738 0.000 2 310 35 35 LEU C C 178.055 0.002 1 311 35 35 LEU CA C 59.619 0.069 1 312 35 35 LEU CB C 43.118 0.047 1 313 35 35 LEU CG C 27.198 0.000 1 314 35 35 LEU CD1 C 27.01 0.000 2 315 35 35 LEU CD2 C 20.263 0.000 2 316 35 35 LEU N N 127.853 0.052 1 317 36 36 ASP H H 7.918 0.022 1 318 36 36 ASP HA H 4.297 0.017 1 319 36 36 ASP HB2 H 2.506 0.017 2 320 36 36 ASP C C 176.836 0.011 1 321 36 36 ASP CA C 56.426 0.071 1 322 36 36 ASP CB C 42.71 0.103 1 323 36 36 ASP N N 113.59 0.066 1 324 37 37 ASN H H 7.731 0.007 1 325 37 37 ASN HA H 5.147 0.001 1 326 37 37 ASN HB2 H 2.596 0.012 2 327 37 37 ASN HD21 H 7.318 0.000 2 328 37 37 ASN C C 171.202 0.000 1 329 37 37 ASN CA C 50.676 0.069 1 330 37 37 ASN CB C 40.337 0.000 1 331 37 37 ASN N N 117.732 0.045 1 332 38 38 PRO HA H 4.146 0.017 1 333 38 38 PRO HB2 H 2.103 0.020 2 334 38 38 PRO HB3 H 1.798 0.022 2 335 38 38 PRO HD2 H 3.541 0.000 2 336 38 38 PRO C C 179.381 0.014 1 337 38 38 PRO CA C 64.484 0.008 1 338 38 38 PRO CB C 32.466 0.037 1 339 38 38 PRO CG C 28.233 0.000 1 340 38 38 PRO CD C 51.257 0.000 1 341 39 39 GLY H H 9.547 0.006 1 342 39 39 GLY HA2 H 4.067 0.008 2 343 39 39 GLY HA3 H 3.438 0.012 2 344 39 39 GLY C C 173.675 0.021 1 345 39 39 GLY CA C 45.974 0.043 1 346 39 39 GLY N N 113.044 0.060 1 347 40 40 GLN H H 7.69 0.007 1 348 40 40 GLN HA H 4.374 0.013 1 349 40 40 GLN HB2 H 2.135 0.008 2 350 40 40 GLN HB3 H 1.788 0.027 2 351 40 40 GLN HG2 H 2.104 0.008 2 352 40 40 GLN HG3 H 1.888 0.000 2 353 40 40 GLN C C 174.41 0.008 1 354 40 40 GLN CA C 55.557 0.032 1 355 40 40 GLN CB C 29.553 0.054 1 356 40 40 GLN CG C 34.146 0.000 1 357 40 40 GLN N N 121.514 0.048 1 358 41 41 PHE H H 8.403 0.005 1 359 41 41 PHE HA H 5.406 0.016 1 360 41 41 PHE HB2 H 2.738 0.014 2 361 41 41 PHE HB3 H 2.895 0.018 2 362 41 41 PHE HD2 H 7.28 0.014 3 363 41 41 PHE HE1 H 7.298 0.001 3 364 41 41 PHE HE2 H 7.038 0.000 3 365 41 41 PHE C C 177.22 0.002 1 366 41 41 PHE CA C 56.586 0.015 1 367 41 41 PHE CB C 42.788 0.041 1 368 41 41 PHE N N 124.348 0.092 1 369 42 42 TYR H H 9.194 0.017 1 370 42 42 TYR HA H 4.833 0.011 1 371 42 42 TYR HB2 H 2.646 0.000 2 372 42 42 TYR HB3 H 3.204 0.014 2 373 42 42 TYR HD1 H 7.065 0.000 3 374 42 42 TYR HD2 H 6.686 0.000 3 375 42 42 TYR HE2 H 7.05 0.000 3 376 42 42 TYR C C 176.434 0.011 1 377 42 42 TYR CA C 57.745 0.094 1 378 42 42 TYR CB C 42.391 0.010 1 379 42 42 TYR N N 121.525 0.049 1 380 43 43 GLN H H 8.734 0.013 1 381 43 43 GLN HA H 4.611 0.012 1 382 43 43 GLN HB2 H 2.094 0.006 2 383 43 43 GLN HB3 H 2.433 0.002 2 384 43 43 GLN HG2 H 2.536 0.000 2 385 43 43 GLN C C 177.774 0.000 1 386 43 43 GLN CA C 56.257 0.099 1 387 43 43 GLN CB C 31.069 0.000 1 388 43 43 GLN CG C 35.767 0.000 1 389 43 43 GLN N N 121.014 0.048 1 390 44 44 ALA H H 8.373 0.014 1 391 44 44 ALA HA H 3.821 0.002 1 392 44 44 ALA HB H 1.36 0.005 1 393 44 44 ALA C C 180.63 0.004 1 394 44 44 ALA CA C 56.216 0.042 1 395 44 44 ALA CB C 19.566 0.046 1 396 44 44 ALA N N 121.463 0.000 1 397 45 45 ASP H H 8.316 0.010 1 398 45 45 ASP HA H 4.338 0.011 1 399 45 45 ASP HB2 H 2.669 0.007 2 400 45 45 ASP C C 178.743 0.012 1 401 45 45 ASP CA C 57.008 0.014 1 402 45 45 ASP CB C 40.742 0.099 1 403 45 45 ASP N N 115.869 0.062 1 404 46 46 VAL H H 7.821 0.007 1 405 46 46 VAL HA H 4.025 0.024 1 406 46 46 VAL HB H 2.293 0.011 1 407 46 46 VAL HG1 H 0.724 0.009 2 408 46 46 VAL HG2 H 1.028 0.010 2 409 46 46 VAL C C 177.513 0.019 1 410 46 46 VAL CA C 64.286 0.022 1 411 46 46 VAL CB C 32.654 0.044 1 412 46 46 VAL CG1 C 22.155 0.000 2 413 46 46 VAL N N 117.361 0.082 1 414 47 47 LEU H H 7.45 0.025 1 415 47 47 LEU HA H 3.992 0.015 1 416 47 47 LEU HB2 H 1.747 0.012 2 417 47 47 LEU HB3 H 1.385 0.000 2 418 47 47 LEU HD1 H 0.988 0.000 2 419 47 47 LEU C C 177.607 0.000 1 420 47 47 LEU CA C 58.983 0.001 1 421 47 47 LEU CB C 42.778 0.000 1 422 47 47 LEU N N 119.682 0.048 1 423 48 48 THR H H 7.55 0.018 1 424 48 48 THR HA H 4.363 0.013 1 425 48 48 THR HG2 H 1.103 0.011 1 426 48 48 THR C C 177.397 0.000 1 427 48 48 THR CA C 61.702 0.057 1 428 48 48 THR CB C 69.939 0.020 1 429 48 48 THR CG2 C 22.91 0.000 1 430 48 48 THR N N 105.183 0.000 1 431 49 49 GLN H H 8.366 0.013 1 432 49 49 GLN HA H 4.099 0.012 1 433 49 49 GLN HB2 H 2.174 0.000 2 434 49 49 GLN HB3 H 2.132 0.000 2 435 49 49 GLN HG3 H 2.267 0.002 2 436 49 49 GLN HE21 H 7.483 0.000 2 437 49 49 GLN C C 177.726 0.021 1 438 49 49 GLN CA C 57.766 0.008 1 439 49 49 GLN CB C 28.32 0.044 1 440 49 49 GLN CG C 34.989 0.000 1 441 49 49 GLN N N 119.17 0.053 1 442 50 50 GLY H H 8.42 0.004 1 443 50 50 GLY HA2 H 4.157 0.024 2 444 50 50 GLY HA3 H 3.782 0.011 2 445 50 50 GLY C C 174.645 0.020 1 446 50 50 GLY CA C 46.703 0.035 1 447 50 50 GLY N N 105.402 0.044 1 448 51 51 LYS H H 7.693 0.011 1 449 51 51 LYS HA H 4.636 0.000 1 450 51 51 LYS HB2 H 1.675 0.005 2 451 51 51 LYS HB3 H 1.45 0.000 2 452 51 51 LYS HG2 H 1.12 0.000 2 453 51 51 LYS C C 172.703 0.000 1 454 51 51 LYS CA C 54.618 0.000 1 455 51 51 LYS CB C 35.75 0.000 1 456 51 51 LYS N N 121.362 0.044 1 457 52 52 PRO HA H 4.695 0.006 1 458 52 52 PRO HB2 H 1.775 0.000 2 459 52 52 PRO HB3 H 1.634 0.000 2 460 52 52 PRO C C 176.113 0.000 1 461 52 52 PRO CA C 63.308 0.000 1 462 52 52 PRO CB C 32.978 0.000 1 463 53 53 VAL H H 9.228 0.009 1 464 53 53 VAL HA H 5.083 0.007 1 465 53 53 VAL HB H 2.177 0.015 1 466 53 53 VAL HG1 H 1.074 0.009 2 467 53 53 VAL HG2 H 0.876 0.005 2 468 53 53 VAL C C 174.373 0.000 1 469 53 53 VAL CA C 61.266 0.026 1 470 53 53 VAL CB C 37.748 0.000 1 471 53 53 VAL CG1 C 23.374 0.000 2 472 53 53 VAL CG2 C 21.889 0.000 2 473 53 53 VAL N N 119.714 0.084 1 474 54 54 LEU H H 8.43 0.007 1 475 54 54 LEU HA H 5.745 0.007 1 476 54 54 LEU HB2 H 1.938 0.004 2 477 54 54 LEU HB3 H 1.3 0.004 2 478 54 54 LEU HG H 1.798 0.004 1 479 54 54 LEU HD1 H 1.077 0.001 2 480 54 54 LEU HD2 H 0.692 0.005 2 481 54 54 LEU C C 176.257 0.000 1 482 54 54 LEU CA C 53.79 0.002 1 483 54 54 LEU CB C 44.632 0.000 1 484 54 54 LEU CG C 27.592 0.000 1 485 54 54 LEU CD1 C 26.665 0.000 2 486 54 54 LEU CD2 C 24.524 0.000 2 487 54 54 LEU N N 123.559 0.080 1 488 55 55 LEU H H 9.562 0.006 1 489 55 55 LEU HA H 5.354 0.009 1 490 55 55 LEU HB2 H 1.205 0.009 2 491 55 55 LEU HB3 H 2.067 0.004 2 492 55 55 LEU HG H 1.413 0.001 1 493 55 55 LEU HD1 H 0.619 0.000 2 494 55 55 LEU HD2 H 0.726 0.000 2 495 55 55 LEU C C 175.466 0.013 1 496 55 55 LEU CA C 54.291 0.012 1 497 55 55 LEU CB C 46.338 0.011 1 498 55 55 LEU CG C 28.924 0.000 1 499 55 55 LEU CD1 C 26.497 0.000 2 500 55 55 LEU CD2 C 25.182 0.000 2 501 55 55 LEU N N 126.101 0.041 1 502 56 56 ASN H H 9.594 0.009 1 503 56 56 ASN HA H 5.74 0.010 1 504 56 56 ASN HB2 H 2.79 0.023 2 505 56 56 ASN HB3 H 2.532 0.009 2 506 56 56 ASN C C 172.99 0.016 1 507 56 56 ASN CA C 53.656 0.049 1 508 56 56 ASN CB C 44.469 0.010 1 509 56 56 ASN N N 128.489 0.048 1 510 57 57 VAL H H 9.929 0.007 1 511 57 57 VAL HA H 4.809 0.017 1 512 57 57 VAL HB H 2.292 0.006 1 513 57 57 VAL HG1 H 0.954 0.011 2 514 57 57 VAL HG2 H 0.629 0.010 2 515 57 57 VAL C C 175.37 0.013 1 516 57 57 VAL CA C 63.83 0.048 1 517 57 57 VAL CB C 32.812 0.000 1 518 57 57 VAL CG1 C 22.822 0.000 2 519 57 57 VAL CG2 C 21.541 0.000 2 520 57 57 VAL N N 132.906 0.059 1 521 58 58 TRP H H 8.393 0.011 1 522 58 58 TRP HA H 5.094 0.005 1 523 58 58 TRP HB2 H 3.47 0.015 2 524 58 58 TRP HB3 H 3.01 0.002 2 525 58 58 TRP HD1 H 7.027 0.001 1 526 58 58 TRP HE1 H 10.654 0.005 1 527 58 58 TRP HE3 H 7.027 0.005 1 528 58 58 TRP C C 173.011 0.022 1 529 58 58 TRP CA C 55.275 0.083 1 530 58 58 TRP CB C 35.117 0.012 1 531 58 58 TRP N N 125.184 0.077 1 532 59 59 ALA H H 7.595 0.005 1 533 59 59 ALA HA H 3.388 0.015 1 534 59 59 ALA HB H 0.108 0.006 1 535 59 59 ALA C C 179.403 0.008 1 536 59 59 ALA CA C 53.271 0.014 1 537 59 59 ALA CB C 21.907 0.031 1 538 59 59 ALA N N 118.861 0.056 1 539 60 60 THR H H 9.936 0.009 1 540 60 60 THR HA H 3.785 0.015 1 541 60 60 THR HB H 3.092 0.010 1 542 60 60 THR HG2 H 1.109 0.007 1 543 60 60 THR C C 176.565 0.003 1 544 60 60 THR CA C 65.036 0.018 1 545 60 60 THR CB C 71.18 0.053 1 546 60 60 THR CG2 C 23.256 0.000 1 547 60 60 THR N N 114.464 0.052 1 548 61 61 TRP H H 6.329 0.009 1 549 61 61 TRP HA H 4.565 0.012 1 550 61 61 TRP HB2 H 3.639 0.004 2 551 61 61 TRP HB3 H 3.192 0.004 2 552 61 61 TRP HD1 H 7.288 0.000 1 553 61 61 TRP HH2 H 7.269 0.000 1 554 61 61 TRP C C 178.902 0.009 1 555 61 61 TRP CA C 54.837 0.050 1 556 61 61 TRP CB C 29.958 0.008 1 557 61 61 TRP N N 114.226 0.063 1 558 62 62 CYS H H 7.133 0.009 1 559 62 62 CYS HA H 4.646 0.000 1 560 62 62 CYS HB2 H 3.058 0.000 2 561 62 62 CYS HB3 H 2.899 0.009 2 562 62 62 CYS C C 176.938 0.000 1 563 62 62 CYS CA C 58.843 0.019 1 564 62 62 CYS CB C 28.758 0.000 1 565 62 62 CYS N N 125.233 0.056 1 566 63 63 PRO HA H 4.523 0.000 1 567 63 63 PRO C C 179.029 0.000 1 568 63 63 PRO CA C 66.721 0.001 1 569 63 63 PRO CB C 33.371 0.000 1 570 64 64 THR H H 7.295 0.017 1 571 64 64 THR HA H 4.751 0.002 1 572 64 64 THR HB H 4.425 0.014 1 573 64 64 THR HG2 H 1.234 0.004 1 574 64 64 THR C C 175.457 0.000 1 575 64 64 THR CA C 62.352 0.053 1 576 64 64 THR CB C 70.557 0.000 1 577 64 64 THR CG2 C 22.62 0.000 1 578 64 64 THR N N 105.006 0.059 1 579 65 65 CYS H H 7.94 0.008 1 580 65 65 CYS HA H 4.072 0.005 1 581 65 65 CYS HB2 H 2.976 0.000 2 582 65 65 CYS C C 177.282 0.005 1 583 65 65 CYS CA C 64.322 0.045 1 584 65 65 CYS CB C 28.011 0.052 1 585 65 65 CYS N N 122.552 0.109 1 586 66 66 ARG H H 8.959 0.015 1 587 66 66 ARG HA H 4.119 0.009 1 588 66 66 ARG HB2 H 2.026 0.004 2 589 66 66 ARG HG2 H 1.6 0.000 2 590 66 66 ARG HD2 H 3.194 0.000 2 591 66 66 ARG C C 179.433 0.002 1 592 66 66 ARG CA C 61.839 0.080 1 593 66 66 ARG CB C 30.881 0.000 1 594 66 66 ARG CG C 29.278 0.000 1 595 66 66 ARG CD C 44.026 0.000 1 596 66 66 ARG N N 118.951 0.054 1 597 67 67 ALA H H 8.211 0.014 1 598 67 67 ALA HA H 4.609 0.000 1 599 67 67 ALA HB H 2.711 0.000 1 600 67 67 ALA C C 181.962 0.000 1 601 67 67 ALA CA C 56.075 0.087 1 602 67 67 ALA CB C 19.346 0.103 1 603 67 67 ALA N N 122.57 0.078 1 604 68 68 GLU H H 8.322 0.010 1 605 68 68 GLU HA H 4.331 0.005 1 606 68 68 GLU HB2 H 2.653 0.000 2 607 68 68 GLU HG2 H 1.866 0.000 2 608 68 68 GLU C C 180.509 0.000 1 609 68 68 GLU CA C 60.801 0.011 1 610 68 68 GLU CB C 30.864 0.000 1 611 68 68 GLU CG C 38.093 0.000 1 612 68 68 GLU N N 113.875 0.020 1 613 69 69 HIS H H 8.931 0.004 1 614 69 69 HIS HA H 4.354 0.004 1 615 69 69 HIS HB2 H 3.393 0.006 2 616 69 69 HIS HB3 H 2.876 0.007 2 617 69 69 HIS C C 179.526 0.000 1 618 69 69 HIS CA C 60.563 0.000 1 619 69 69 HIS CB C 32.296 0.070 1 620 69 69 HIS N N 119.358 0.075 1 621 70 70 GLN H H 8.11 0.010 1 622 70 70 GLN HA H 4.08 0.009 1 623 70 70 GLN HB2 H 2.325 0.009 2 624 70 70 GLN HB3 H 2.15 0.012 2 625 70 70 GLN HG2 H 2.623 0.007 2 626 70 70 GLN C C 179.975 0.017 1 627 70 70 GLN CA C 60.444 0.030 1 628 70 70 GLN CB C 29.075 0.000 1 629 70 70 GLN CG C 35.019 0.000 1 630 70 70 GLN N N 118.901 0.044 1 631 71 71 TYR H H 7.916 0.006 1 632 71 71 TYR HA H 4.49 0.009 1 633 71 71 TYR HB2 H 3.263 0.003 2 634 71 71 TYR HB3 H 2.928 0.012 2 635 71 71 TYR HD1 H 6.846 0.002 3 636 71 71 TYR HE2 H 6.339 0.000 3 637 71 71 TYR C C 179 0.018 1 638 71 71 TYR CA C 61.726 0.017 1 639 71 71 TYR CB C 38.822 0.066 1 640 71 71 TYR N N 122.245 0.082 1 641 72 72 LEU H H 9.136 0.011 1 642 72 72 LEU HA H 3.426 0.007 1 643 72 72 LEU HB2 H 1.61 0.005 2 644 72 72 LEU HB3 H 1.869 0.001 2 645 72 72 LEU HG H 1.629 0.000 1 646 72 72 LEU HD1 H 0.68 0.000 2 647 72 72 LEU HD2 H 0.693 0.000 2 648 72 72 LEU C C 179.995 0.013 1 649 72 72 LEU CA C 58.684 0.041 1 650 72 72 LEU CB C 42.615 0.005 1 651 72 72 LEU CG C 27.408 0.000 1 652 72 72 LEU CD2 C 23.717 0.000 2 653 72 72 LEU N N 119.671 0.029 1 654 73 73 ASN H H 7.954 0.004 1 655 73 73 ASN HA H 4.108 0.009 1 656 73 73 ASN HB2 H 2.732 0.010 2 657 73 73 ASN HB3 H 2.555 0.015 2 658 73 73 ASN HD21 H 7.017 0.000 2 659 73 73 ASN HD22 H 6.35 0.000 2 660 73 73 ASN C C 179.197 0.015 1 661 73 73 ASN CA C 57.396 0.048 1 662 73 73 ASN CB C 39.482 0.091 1 663 73 73 ASN N N 117.916 0.044 1 664 74 74 GLN H H 7.289 0.004 1 665 74 74 GLN HA H 3.94 0.009 1 666 74 74 GLN HB2 H 2.014 0.000 2 667 74 74 GLN HB3 H 2.18 0.013 2 668 74 74 GLN HG2 H 2.478 0.003 2 669 74 74 GLN HG3 H 2.112 0.023 2 670 74 74 GLN C C 179.747 0.013 1 671 74 74 GLN CA C 59.823 0.080 1 672 74 74 GLN CB C 28.544 0.018 1 673 74 74 GLN CG C 34.578 0.000 1 674 74 74 GLN N N 121.214 0.052 1 675 75 75 LEU H H 7.58 0.006 1 676 75 75 LEU HA H 3.452 0.018 1 677 75 75 LEU HB2 H 1.049 0.018 2 678 75 75 LEU HB3 H 0.311 0.017 2 679 75 75 LEU HD2 H -0.578 0.000 2 680 75 75 LEU C C 180.978 0.002 1 681 75 75 LEU CA C 58.397 0.085 1 682 75 75 LEU CB C 40.932 0.107 1 683 75 75 LEU CG C 25.738 0.000 1 684 75 75 LEU CD1 C 20.678 0.000 2 685 75 75 LEU N N 120.429 0.079 1 686 76 76 SER H H 8.562 0.005 1 687 76 76 SER HA H 4.596 0.006 1 688 76 76 SER HB2 H 3.864 0.010 2 689 76 76 SER HB3 H 3.813 0.000 2 690 76 76 SER C C 175.745 0.000 1 691 76 76 SER CA C 61.514 0.067 1 692 76 76 SER CB C 63.715 0.090 1 693 76 76 SER N N 117.025 0.041 1 694 77 77 ALA H H 7.513 0.004 1 695 77 77 ALA HA H 4.144 0.010 1 696 77 77 ALA HB H 1.451 0.009 1 697 77 77 ALA C C 180.042 0.010 1 698 77 77 ALA CA C 55.21 0.064 1 699 77 77 ALA CB C 18.692 0.010 1 700 77 77 ALA N N 124.329 0.060 1 701 78 78 GLN H H 7.392 0.011 1 702 78 78 GLN HA H 4.332 0.013 1 703 78 78 GLN HB2 H 2.021 0.011 2 704 78 78 GLN HB3 H 2.239 0.001 2 705 78 78 GLN HG3 H 2.399 0.005 2 706 78 78 GLN C C 177.1 0.022 1 707 78 78 GLN CA C 56.422 0.100 1 708 78 78 GLN CB C 29.594 0.067 1 709 78 78 GLN CG C 34.679 0.000 1 710 78 78 GLN N N 116.589 0.055 1 711 79 79 GLY H H 7.757 0.009 1 712 79 79 GLY HA2 H 4.314 0.008 2 713 79 79 GLY HA3 H 3.684 0.008 2 714 79 79 GLY C C 175.2 0.012 1 715 79 79 GLY CA C 46.144 0.029 1 716 79 79 GLY N N 107.341 0.078 1 717 80 80 ILE H H 7.359 0.009 1 718 80 80 ILE HA H 3.683 0.000 1 719 80 80 ILE HB H 1.061 0.005 1 720 80 80 ILE HG12 H 0.724 0.001 2 721 80 80 ILE HG2 H -0.279 0.000 1 722 80 80 ILE HD1 H -0.499 0.000 1 723 80 80 ILE C C 175.435 0.000 1 724 80 80 ILE CA C 60.77 0.031 1 725 80 80 ILE CB C 36.362 0.000 1 726 80 80 ILE N N 123.93 0.041 1 727 81 81 ARG HA H 4.234 0.004 1 728 81 81 ARG HB2 H 1.873 0.006 2 729 81 81 ARG HG3 H 1.565 0.000 2 730 81 81 ARG HD2 H 3.452 0.000 2 731 81 81 ARG HD3 H 3.214 0.000 2 732 81 81 ARG C C 174.435 0.008 1 733 81 81 ARG CA C 58.236 0.026 1 734 81 81 ARG CB C 31.548 0.000 1 735 81 81 ARG CG C 29.848 0.000 1 736 81 81 ARG CD C 44.269 0.000 1 737 82 82 VAL H H 8.825 0.004 1 738 82 82 VAL HA H 5.06 0.012 1 739 82 82 VAL HB H 2.11 0.012 1 740 82 82 VAL HG1 H 0.707 0.006 2 741 82 82 VAL HG2 H 1.008 0.003 2 742 82 82 VAL C C 176.362 0.010 1 743 82 82 VAL CA C 60.995 0.034 1 744 82 82 VAL CB C 34.755 0.001 1 745 82 82 VAL CG1 C 23.084 0.000 2 746 82 82 VAL CG2 C 21.419 0.000 2 747 82 82 VAL N N 127.74 0.023 1 748 83 83 VAL H H 9.737 0.007 1 749 83 83 VAL HA H 4.64 0.006 1 750 83 83 VAL HB H 1.9 0.013 1 751 83 83 VAL HG1 H 0.755 0.007 2 752 83 83 VAL HG2 H 1.003 0.003 2 753 83 83 VAL C C 175.268 0.011 1 754 83 83 VAL CA C 61.77 0.080 1 755 83 83 VAL CB C 34.86 0.062 1 756 83 83 VAL CG1 C 22.558 0.000 2 757 83 83 VAL CG2 C 22.026 0.000 2 758 83 83 VAL N N 129.448 0.053 1 759 84 84 GLY H H 8.599 0.007 1 760 84 84 GLY HA2 H 1.909 0.006 2 761 84 84 GLY HA3 H 4.62 0.006 2 762 84 84 GLY C C 173.377 0.004 1 763 84 84 GLY CA C 44.254 0.037 1 764 84 84 GLY N N 116.448 0.067 1 765 85 85 MET H H 9.29 0.016 1 766 85 85 MET HA H 4.462 0.005 1 767 85 85 MET HB2 H 2.013 0.000 2 768 85 85 MET HB3 H 1.779 0.000 2 769 85 85 MET HG2 H 1.993 0.002 2 770 85 85 MET HG3 H 1.447 0.002 2 771 85 85 MET HE H 1.437 0.000 1 772 85 85 MET C C 173.484 0.004 1 773 85 85 MET CA C 55.371 0.071 1 774 85 85 MET CB C 36.738 0.073 1 775 85 85 MET CG C 33.483 0.000 1 776 85 85 MET N N 125.623 0.077 1 777 86 86 ASN H H 8.218 0.009 1 778 86 86 ASN HA H 3.53 0.011 1 779 86 86 ASN HB2 H 2.492 0.018 2 780 86 86 ASN HD21 H 7.906 0.002 2 781 86 86 ASN HD22 H 7.888 0.000 2 782 86 86 ASN C C 175.249 0.027 1 783 86 86 ASN CA C 55.427 0.030 1 784 86 86 ASN CB C 43.204 0.084 1 785 86 86 ASN N N 128.324 0.037 1 786 87 87 TYR H H 8.746 0.010 1 787 87 87 TYR HA H 4.554 0.017 1 788 87 87 TYR HB2 H 2.604 0.012 2 789 87 87 TYR HB3 H 2.421 0.019 2 790 87 87 TYR HD1 H 7.067 0.009 3 791 87 87 TYR HE1 H 6.651 0.000 3 792 87 87 TYR C C 172.362 0.008 1 793 87 87 TYR CA C 58.719 0.029 1 794 87 87 TYR CB C 44.048 0.043 1 795 87 87 TYR N N 133.876 0.045 1 796 88 88 LYS H H 7.516 0.007 1 797 88 88 LYS HA H 3.52 0.009 1 798 88 88 LYS HB2 H 1.574 0.002 2 799 88 88 LYS HB3 H 1.27 0.006 2 800 88 88 LYS HE2 H 2.661 0.000 2 801 88 88 LYS C C 176.566 0.015 1 802 88 88 LYS CA C 57.838 0.064 1 803 88 88 LYS CB C 31.629 0.054 1 804 88 88 LYS CG C 25.624 0.000 1 805 88 88 LYS CD C 30.712 0.000 1 806 88 88 LYS CE C 42.783 0.000 1 807 88 88 LYS N N 120.075 0.038 1 808 89 89 ASP H H 8.838 0.003 1 809 89 89 ASP HA H 5.181 0.009 1 810 89 89 ASP HB2 H 3.348 0.005 2 811 89 89 ASP HB3 H 2.159 0.005 2 812 89 89 ASP C C 176.48 0.016 1 813 89 89 ASP CA C 51.759 0.039 1 814 89 89 ASP CB C 44.924 0.025 1 815 89 89 ASP N N 122.22 0.038 1 816 90 90 ASP H H 8.473 0.007 1 817 90 90 ASP HA H 4.747 0.005 1 818 90 90 ASP HB2 H 3.099 0.000 2 819 90 90 ASP HB3 H 2.679 0.011 2 820 90 90 ASP C C 176.752 0.011 1 821 90 90 ASP CA C 54.154 0.086 1 822 90 90 ASP CB C 43.933 0.033 1 823 90 90 ASP N N 122.446 0.043 1 824 91 91 ARG H H 8.806 0.010 1 825 91 91 ARG HA H 3.551 0.005 1 826 91 91 ARG HB2 H 1.555 0.002 2 827 91 91 ARG HB3 H 1.571 0.000 2 828 91 91 ARG HG2 H 0.787 0.000 2 829 91 91 ARG HD2 H 2.944 0.002 2 830 91 91 ARG HD3 H 2.431 0.002 2 831 91 91 ARG HH21 H 6.647 0.000 2 832 91 91 ARG C C 178.58 0.011 1 833 91 91 ARG CA C 61.27 0.064 1 834 91 91 ARG CB C 32.798 0.059 1 835 91 91 ARG CG C 28.501 0.000 1 836 91 91 ARG CD C 44.908 0.000 1 837 91 91 ARG N N 128.799 0.057 1 838 92 92 GLN H H 8.003 0.004 1 839 92 92 GLN HA H 4.002 0.013 1 840 92 92 GLN HB2 H 2.144 0.013 2 841 92 92 GLN HG2 H 2.455 0.010 2 842 92 92 GLN C C 180.661 0.006 1 843 92 92 GLN CA C 59.649 0.080 1 844 92 92 GLN CB C 28.683 0.010 1 845 92 92 GLN CG C 34.89 0.000 1 846 92 92 GLN N N 114.681 0.051 1 847 93 93 LYS H H 8.284 0.010 1 848 93 93 LYS HA H 4.136 0.002 1 849 93 93 LYS HB2 H 2.002 0.010 2 850 93 93 LYS HB3 H 1.837 0.002 2 851 93 93 LYS HG2 H 1.095 0.000 2 852 93 93 LYS HD2 H 1.517 0.026 2 853 93 93 LYS HD3 H 1.687 0.000 2 854 93 93 LYS HE2 H 3.083 0.006 2 855 93 93 LYS C C 180.627 0.005 1 856 93 93 LYS CA C 60.55 0.015 1 857 93 93 LYS CB C 33.741 0.082 1 858 93 93 LYS CG C 26.735 0.000 1 859 93 93 LYS CD C 30.496 0.199 1 860 93 93 LYS CE C 43.172 0.000 1 861 93 93 LYS N N 123.062 0.055 1 862 94 94 ALA H H 8.642 0.006 1 863 94 94 ALA HA H 4.109 0.005 1 864 94 94 ALA HB H 1.442 0.007 1 865 94 94 ALA C C 180.437 0.014 1 866 94 94 ALA CA C 56.961 0.022 1 867 94 94 ALA CB C 20.557 0.010 1 868 94 94 ALA N N 125.146 0.075 1 869 95 95 ILE H H 8.399 0.006 1 870 95 95 ILE HA H 3.699 0.013 1 871 95 95 ILE HB H 1.847 0.005 1 872 95 95 ILE HG13 H 0.949 0.002 2 873 95 95 ILE HG2 H 0.639 0.000 1 874 95 95 ILE C C 180.951 0.001 1 875 95 95 ILE CA C 66.865 0.066 1 876 95 95 ILE CB C 40.083 0.058 1 877 95 95 ILE CG2 C 17.758 0.000 1 878 95 95 ILE CD1 C 15.609 0.000 1 879 95 95 ILE N N 118.991 0.059 1 880 96 96 SER H H 8.223 0.002 1 881 96 96 SER HA H 4.186 0.005 1 882 96 96 SER HB2 H 3.845 0.000 2 883 96 96 SER HB3 H 3.656 0.000 2 884 96 96 SER C C 176.994 0.000 1 885 96 96 SER CA C 63.241 0.073 1 886 96 96 SER CB C 63.938 0.000 1 887 96 96 SER N N 115.925 0.070 1 888 97 97 TRP H H 8.645 0.006 1 889 97 97 TRP HA H 4.299 0.000 1 890 97 97 TRP HB2 H 2.087 0.001 2 891 97 97 TRP HB3 H 2.124 0.000 2 892 97 97 TRP HD1 H 6.885 0.000 1 893 97 97 TRP HZ2 H 7.182 0.000 1 894 97 97 TRP HH2 H 6.879 0.000 1 895 97 97 TRP C C 178.711 0.000 1 896 97 97 TRP CA C 61.84 0.064 1 897 97 97 TRP CB C 29.904 0.013 1 898 97 97 TRP N N 125.496 0.068 1 899 98 98 LEU H H 7.834 0.018 1 900 98 98 LEU HA H 4.092 0.005 1 901 98 98 LEU HB2 H 1.204 0.000 2 902 98 98 LEU HB3 H 1.152 0.006 2 903 98 98 LEU HD1 H 0.611 0.000 2 904 98 98 LEU C C 181.25 0.007 1 905 98 98 LEU CA C 57.638 0.093 1 906 98 98 LEU CB C 42.848 0.085 1 907 98 98 LEU CG C 27.624 0.000 1 908 98 98 LEU CD1 C 23.726 0.000 2 909 98 98 LEU N N 117.004 0.076 1 910 99 99 LYS H H 7.84 0.004 1 911 99 99 LYS HA H 4.015 0.013 1 912 99 99 LYS HB2 H 1.95 0.012 2 913 99 99 LYS HB3 H 1.662 0.000 2 914 99 99 LYS HG2 H 1.46 0.000 2 915 99 99 LYS HG3 H 1.39 0.000 2 916 99 99 LYS HD2 H 1.691 0.000 2 917 99 99 LYS HE2 H 2.98 0.000 2 918 99 99 LYS C C 179.547 0.000 1 919 99 99 LYS CA C 60.169 0.061 1 920 99 99 LYS CB C 33.482 0.071 1 921 99 99 LYS CG C 26.205 0.000 1 922 99 99 LYS CD C 29.998 0.000 1 923 99 99 LYS CE C 43.059 0.000 1 924 99 99 LYS N N 119.097 0.082 1 925 100 100 GLU H H 8.085 0.013 1 926 100 100 GLU HA H 4.02 0.016 1 927 100 100 GLU HB2 H 1.961 0.002 2 928 100 100 GLU HB3 H 1.936 0.001 2 929 100 100 GLU HG2 H 2.279 0.003 2 930 100 100 GLU HG3 H 2.086 0.000 2 931 100 100 GLU C C 179.358 0.010 1 932 100 100 GLU CA C 59.508 0.094 1 933 100 100 GLU CB C 30.881 0.026 1 934 100 100 GLU CG C 36.721 0.000 1 935 100 100 GLU N N 119.02 0.055 1 936 101 101 LEU H H 8.138 0.004 1 937 101 101 LEU HA H 4.13 0.014 1 938 101 101 LEU HB2 H 1.231 0.002 2 939 101 101 LEU HB3 H 1.309 0.000 2 940 101 101 LEU HG H 1.428 0.000 1 941 101 101 LEU HD1 H 0.451 0.004 2 942 101 101 LEU HD2 H -0.037 0.007 2 943 101 101 LEU C C 179.168 0.050 1 944 101 101 LEU CA C 56.367 0.097 1 945 101 101 LEU CB C 43.087 0.024 1 946 101 101 LEU CG C 27.936 0.000 1 947 101 101 LEU CD1 C 24.779 0.000 2 948 101 101 LEU N N 118.158 0.059 1 949 102 102 GLY H H 7.242 0.008 1 950 102 102 GLY HA2 H 4.272 0.003 2 951 102 102 GLY HA3 H 3.433 0.007 2 952 102 102 GLY C C 173.271 0.019 1 953 102 102 GLY CA C 45.063 0.028 1 954 102 102 GLY N N 110.329 0.052 1 955 103 103 ASN H H 8.207 0.003 1 956 103 103 ASN HA H 4.271 0.000 1 957 103 103 ASN HB2 H 1.742 0.006 2 958 103 103 ASN HB3 H 1.573 0.000 2 959 103 103 ASN C C 177.232 0.000 1 960 103 103 ASN CA C 50.231 0.097 1 961 103 103 ASN N N 121.11 0.109 1 962 104 104 PRO HA H 4.261 0.015 1 963 104 104 PRO HB2 H 1.407 0.013 2 964 104 104 PRO HB3 H 1.052 0.005 2 965 104 104 PRO HG2 H 2.105 0.002 2 966 104 104 PRO HD2 H 2.786 0.000 2 967 104 104 PRO C C 176.349 0.006 1 968 104 104 PRO CA C 63.78 0.065 1 969 104 104 PRO CB C 32.972 0.098 1 970 104 104 PRO CG C 24.434 0.000 1 971 104 104 PRO CD C 50.521 0.000 1 972 105 105 TYR H H 7.621 0.005 1 973 105 105 TYR HA H 4.653 0.005 1 974 105 105 TYR HB2 H 2.883 0.007 2 975 105 105 TYR HB3 H 3.114 0.004 2 976 105 105 TYR HD1 H 6.795 0.002 3 977 105 105 TYR C C 177.949 0.015 1 978 105 105 TYR CA C 57.896 0.102 1 979 105 105 TYR CB C 39.386 0.101 1 980 105 105 TYR N N 118.648 0.049 1 981 106 106 ALA H H 9.325 0.003 1 982 106 106 ALA HA H 4.204 0.010 1 983 106 106 ALA HB H 1.423 0.012 1 984 106 106 ALA C C 178.584 0.006 1 985 106 106 ALA CA C 54.375 0.089 1 986 106 106 ALA CB C 20.445 0.012 1 987 106 106 ALA N N 127.844 0.057 1 988 107 107 LEU H H 7.089 0.005 1 989 107 107 LEU HA H 4.398 0.015 1 990 107 107 LEU HB2 H 1.342 0.015 2 991 107 107 LEU HB3 H 1.18 0.012 2 992 107 107 LEU HD1 H 0.39 0.000 2 993 107 107 LEU HD2 H 0.449 0.000 2 994 107 107 LEU C C 175.365 0.020 1 995 107 107 LEU CA C 55.453 0.065 1 996 107 107 LEU CB C 46.502 0.071 1 997 107 107 LEU CG C 26.688 0.000 1 998 107 107 LEU CD1 C 24.391 0.000 2 999 107 107 LEU N N 116.215 0.056 1 1000 108 108 SER H H 9.117 0.004 1 1001 108 108 SER HA H 5.014 0.017 1 1002 108 108 SER HB2 H 4.018 0.004 2 1003 108 108 SER HB3 H 3.691 0.007 2 1004 108 108 SER C C 174.812 0.031 1 1005 108 108 SER CA C 57.206 0.033 1 1006 108 108 SER CB C 65.831 0.056 1 1007 108 108 SER N N 122.173 0.066 1 1008 109 109 LEU H H 9.121 0.007 1 1009 109 109 LEU HA H 5.495 0.023 1 1010 109 109 LEU HB2 H 1.938 0.005 2 1011 109 109 LEU HB3 H 1.726 0.011 2 1012 109 109 LEU HG H 1.561 0.000 1 1013 109 109 LEU HD1 H 0.719 0.000 2 1014 109 109 LEU HD2 H 0.697 0.000 2 1015 109 109 LEU C C 178.981 0.004 1 1016 109 109 LEU CA C 54.954 0.028 1 1017 109 109 LEU CB C 45.618 0.041 1 1018 109 109 LEU CG C 27.499 0.000 1 1019 109 109 LEU CD1 C 24.607 0.000 2 1020 109 109 LEU N N 128.33 0.045 1 1021 110 110 PHE H H 8.686 0.023 1 1022 110 110 PHE HA H 4.95 0.005 1 1023 110 110 PHE HB2 H 2.78 0.002 2 1024 110 110 PHE HB3 H 2.823 0.011 2 1025 110 110 PHE HD1 H 7.252 0.000 3 1026 110 110 PHE HE1 H 7.346 0.003 3 1027 110 110 PHE C C 173.613 0.003 1 1028 110 110 PHE CA C 58.252 0.074 1 1029 110 110 PHE CB C 44.781 0.088 1 1030 110 110 PHE N N 124.312 0.057 1 1031 111 111 ASP H H 8.689 0.012 1 1032 111 111 ASP HA H 4.821 0.010 1 1033 111 111 ASP HB2 H 2.446 0.015 2 1034 111 111 ASP C C 177.991 0.000 1 1035 111 111 ASP CA C 53.325 0.027 1 1036 111 111 ASP CB C 42.725 0.064 1 1037 111 111 ASP N N 130.751 0.051 1 1038 112 112 GLY H H 7.234 0.017 1 1039 112 112 GLY HA2 H 3.363 0.000 2 1040 112 112 GLY HA3 H 3.41 0.005 2 1041 112 112 GLY C C 176.093 0.007 1 1042 112 112 GLY CA C 49.554 0.036 1 1043 112 112 GLY N N 111.232 0.058 1 1044 113 113 ASP H H 7.665 0.042 1 1045 113 113 ASP HA H 4.669 0.003 1 1046 113 113 ASP HB2 H 2.613 0.019 2 1047 113 113 ASP HB3 H 2.792 0.013 2 1048 113 113 ASP C C 178.181 0.011 1 1049 113 113 ASP CA C 53.451 0.014 1 1050 113 113 ASP CB C 42.358 0.036 1 1051 113 113 ASP N N 115.491 0.054 1 1052 114 114 GLY H H 7.345 0.018 1 1053 114 114 GLY HA2 H 4.021 0.003 2 1054 114 114 GLY HA3 H 3.569 0.009 2 1055 114 114 GLY C C 176.763 0.000 1 1056 114 114 GLY CA C 47.855 0.043 1 1057 114 114 GLY N N 109.907 0.051 1 1058 115 115 MET H H 8.325 0.019 1 1059 115 115 MET HA H 4.287 0.001 1 1060 115 115 MET HB2 H 2.172 0.000 2 1061 115 115 MET HB3 H 2.027 0.000 2 1062 115 115 MET HG2 H 2.708 0.000 2 1063 115 115 MET HG3 H 2.362 0.000 2 1064 115 115 MET C C 180.173 0.000 1 1065 115 115 MET CA C 58.442 0.002 1 1066 115 115 MET CB C 33.15 0.000 1 1067 115 115 MET CG C 33.795 0.000 1 1068 115 115 MET N N 121.866 0.023 1 1069 116 116 LEU H H 9.444 0.037 1 1070 116 116 LEU HA H 4.181 0.001 1 1071 116 116 LEU HB2 H 1.471 0.000 2 1072 116 116 LEU HB3 H 1.04 0.000 2 1073 116 116 LEU HD1 H 0.896 0.000 2 1074 116 116 LEU HD2 H 0.47 0.000 2 1075 116 116 LEU C C 181.023 0.000 1 1076 116 116 LEU CA C 58.766 0.000 1 1077 116 116 LEU CB C 40.232 0.000 1 1078 116 116 LEU N N 124.32 0.044 1 1079 117 117 GLY H H 9.53 0.016 1 1080 117 117 GLY HA2 H 3.433 0.002 2 1081 117 117 GLY HA3 H 3.467 0.000 2 1082 117 117 GLY CA C 48.192 0.056 1 1083 117 117 GLY N N 109.356 0.001 1 1084 118 118 LEU H H 7.872 0.014 1 1085 118 118 LEU HA H 4.132 0.007 1 1086 118 118 LEU HB2 H 1.566 0.005 2 1087 118 118 LEU HB3 H 1.764 0.005 2 1088 118 118 LEU HG H 1.495 0.000 1 1089 118 118 LEU HD1 H 0.941 0.000 2 1090 118 118 LEU HD2 H 0.903 0.005 2 1091 118 118 LEU C C 181.489 0.000 1 1092 118 118 LEU CA C 59.47 0.000 1 1093 118 118 LEU CB C 43.166 0.000 1 1094 118 118 LEU CG C 28.1 0.000 1 1095 118 118 LEU CD1 C 25.89 0.000 2 1096 118 118 LEU N N 122.956 0.045 1 1097 119 119 ASP H H 7.509 0.020 1 1098 119 119 ASP HA H 4.478 0.008 1 1099 119 119 ASP HB2 H 2.814 0.009 2 1100 119 119 ASP C C 178.734 0.000 1 1101 119 119 ASP CA C 58.101 0.051 1 1102 119 119 ASP CB C 41.382 0.061 1 1103 119 119 ASP N N 121.224 0.031 1 1104 120 120 LEU H H 7.621 0.005 1 1105 120 120 LEU HA H 4.1 0.006 1 1106 120 120 LEU HB2 H 1.48 0.000 2 1107 120 120 LEU HB3 H 1.463 0.000 2 1108 120 120 LEU HG H 1.453 0.000 1 1109 120 120 LEU HD1 H 0.238 0.000 2 1110 120 120 LEU C C 176.808 0.000 1 1111 120 120 LEU CA C 55.532 0.069 1 1112 120 120 LEU CB C 44.412 0.081 1 1113 120 120 LEU CG C 27.767 0.000 1 1114 120 120 LEU CD1 C 26.1 0.000 2 1115 120 120 LEU CD2 C 23.968 0.000 2 1116 120 120 LEU N N 118.479 0.066 1 1117 121 121 GLY H H 7.705 0.006 1 1118 121 121 GLY HA2 H 3.987 0.010 2 1119 121 121 GLY HA3 H 3.715 0.009 2 1120 121 121 GLY C C 176.077 0.003 1 1121 121 121 GLY CA C 47.126 0.088 1 1122 121 121 GLY N N 107.408 0.043 1 1123 122 122 VAL H H 7.828 0.003 1 1124 122 122 VAL HA H 4.077 0.002 1 1125 122 122 VAL HB H 1.738 0.000 1 1126 122 122 VAL HG1 H 0.225 0.006 2 1127 122 122 VAL HG2 H 0.656 0.000 2 1128 122 122 VAL C C 177.085 0.000 1 1129 122 122 VAL CA C 62.993 0.029 1 1130 122 122 VAL N N 119.27 0.073 1 1131 123 123 TYR H H 9.567 0.004 1 1132 123 123 TYR HA H 4.588 0.011 1 1133 123 123 TYR HB2 H 3.15 0.009 2 1134 123 123 TYR HB3 H 2.767 0.013 2 1135 123 123 TYR C C 176.843 0.000 1 1136 123 123 TYR CA C 58.538 0.021 1 1137 123 123 TYR CB C 39.828 0.080 1 1138 124 124 GLY H H 7.484 0.004 1 1139 124 124 GLY HA2 H 3.863 0.012 2 1140 124 124 GLY HA3 H 4.035 0.015 2 1141 124 124 GLY C C 169.552 0.016 1 1142 124 124 GLY CA C 46.207 0.057 1 1143 124 124 GLY N N 110.164 0.055 1 1144 125 125 ALA H H 7.547 0.010 1 1145 125 125 ALA HA H 4.422 0.000 1 1146 125 125 ALA HB H 0.823 0.010 1 1147 125 125 ALA C C 175.199 0.000 1 1148 125 125 ALA CA C 49.937 0.000 1 1149 125 125 ALA CB C 21.594 0.000 1 1150 125 125 ALA N N 117.349 0.064 1 1151 126 126 PRO HA H 5.135 0.010 1 1152 126 126 PRO HB2 H 1.754 0.000 2 1153 126 126 PRO HB3 H 1.977 0.000 2 1154 126 126 PRO HG2 H 1.577 0.004 2 1155 126 126 PRO HG3 H 1.658 0.000 2 1156 126 126 PRO HD2 H 3.551 0.000 2 1157 126 126 PRO C C 177.669 0.025 1 1158 126 126 PRO CA C 63.603 0.050 1 1159 126 126 PRO CB C 36.593 0.000 1 1160 127 127 GLU H H 8.244 0.007 1 1161 127 127 GLU HA H 5.018 0.012 1 1162 127 127 GLU HB2 H 1.988 0.000 2 1163 127 127 GLU HB3 H 2.08 0.003 2 1164 127 127 GLU HG2 H 2.518 0.000 2 1165 127 127 GLU HG3 H 2.478 0.005 2 1166 127 127 GLU C C 176.833 0.026 1 1167 127 127 GLU CA C 58.024 0.073 1 1168 127 127 GLU CB C 36.023 0.017 1 1169 127 127 GLU CG C 36.815 0.000 1 1170 127 127 GLU N N 119.852 0.052 1 1171 128 128 THR H H 8.974 0.014 1 1172 128 128 THR HA H 5.891 0.006 1 1173 128 128 THR HB H 3.92 0.014 1 1174 128 128 THR HG2 H 1.264 0.010 1 1175 128 128 THR C C 174.046 0.040 1 1176 128 128 THR CA C 63.986 0.048 1 1177 128 128 THR CB C 73.733 0.091 1 1178 128 128 THR CG2 C 23.787 0.000 1 1179 128 128 THR N N 117.861 0.079 1 1180 129 129 PHE H H 9.734 0.010 1 1181 129 129 PHE HA H 5.556 0.009 1 1182 129 129 PHE HB2 H 3.167 0.011 2 1183 129 129 PHE HB3 H 2.945 0.013 2 1184 129 129 PHE HD1 H 7.203 0.014 3 1185 129 129 PHE C C 176.749 0.020 1 1186 129 129 PHE CA C 56.778 0.035 1 1187 129 129 PHE CB C 43.471 0.038 1 1188 129 129 PHE N N 125.349 0.048 1 1189 130 130 LEU H H 9.017 0.012 1 1190 130 130 LEU HA H 5.384 0.006 1 1191 130 130 LEU HB2 H 2.096 0.002 2 1192 130 130 LEU HB3 H 1.395 0.001 2 1193 130 130 LEU HG H 1.581 0.004 1 1194 130 130 LEU HD1 H 1.19 0.008 2 1195 130 130 LEU HD2 H 0.926 0.000 2 1196 130 130 LEU C C 175.425 0.011 1 1197 130 130 LEU CA C 55.909 0.023 1 1198 130 130 LEU CB C 45.744 0.064 1 1199 130 130 LEU CG C 29.908 0.000 1 1200 130 130 LEU CD1 C 28.527 0.000 2 1201 130 130 LEU CD2 C 27.214 0.000 2 1202 130 130 LEU N N 123.618 0.038 1 1203 131 131 ILE H H 9.194 0.003 1 1204 131 131 ILE HA H 4.669 0.010 1 1205 131 131 ILE HB H 1.783 0.001 1 1206 131 131 ILE HG13 H 0.955 0.000 2 1207 131 131 ILE HG2 H 0.929 0.013 1 1208 131 131 ILE HD1 H 0.759 0.000 1 1209 131 131 ILE C C 175.525 0.008 1 1210 131 131 ILE CA C 60.546 0.006 1 1211 131 131 ILE CB C 40.854 0.081 1 1212 131 131 ILE CG1 C 29.58 0.000 1 1213 131 131 ILE CG2 C 18.57 0.000 1 1214 131 131 ILE CD1 C 15.557 0.000 1 1215 131 131 ILE N N 132.126 0.054 1 1216 132 132 ASP H H 8.797 0.006 1 1217 132 132 ASP HA H 4.111 0.014 1 1218 132 132 ASP HB2 H 1.656 0.008 2 1219 132 132 ASP HB3 H 1.619 0.000 2 1220 132 132 ASP C C 176.919 0.003 1 1221 132 132 ASP CA C 54.214 0.020 1 1222 132 132 ASP CB C 42.382 0.083 1 1223 132 132 ASP N N 125.679 0.071 1 1224 133 133 GLY H H 8.684 0.010 1 1225 133 133 GLY HA2 H 3.523 0.025 2 1226 133 133 GLY HA3 H 3.214 0.015 2 1227 133 133 GLY C C 175.632 0.000 1 1228 133 133 GLY CA C 46.594 0.104 1 1229 133 133 GLY N N 101.914 0.046 1 1230 134 134 ASN H H 8.248 0.009 1 1231 134 134 ASN HA H 4.849 0.011 1 1232 134 134 ASN HB2 H 2.919 0.025 2 1233 134 134 ASN HB3 H 2.686 0.013 2 1234 134 134 ASN C C 176.573 0.012 1 1235 134 134 ASN CA C 53.533 0.039 1 1236 134 134 ASN CB C 40.532 0.023 1 1237 134 134 ASN N N 117.353 0.063 1 1238 135 135 GLY H H 8.305 0.008 1 1239 135 135 GLY HA2 H 4.071 0.012 2 1240 135 135 GLY HA3 H 3.431 0.011 2 1241 135 135 GLY C C 173.854 0.004 1 1242 135 135 GLY CA C 47.025 0.088 1 1243 135 135 GLY N N 109.559 0.044 1 1244 136 136 ILE H H 7.982 0.005 1 1245 136 136 ILE HA H 4.11 0.008 1 1246 136 136 ILE HB H 2.092 0.009 1 1247 136 136 ILE HG12 H 1.122 0.004 2 1248 136 136 ILE HG2 H 0.535 0.000 1 1249 136 136 ILE HD1 H 0.399 0.001 1 1250 136 136 ILE C C 177.69 0.000 1 1251 136 136 ILE CA C 59.489 0.064 1 1252 136 136 ILE CB C 36.768 0.042 1 1253 136 136 ILE CG1 C 28.258 0.000 1 1254 136 136 ILE CG2 C 17.514 0.000 1 1255 136 136 ILE CD1 C 10.739 0.000 1 1256 136 136 ILE N N 121.638 0.044 1 1257 137 137 ILE H H 8.7 0.009 1 1258 137 137 ILE HA H 3.971 0.010 1 1259 137 137 ILE HB H 2.389 0.013 1 1260 137 137 ILE HG13 H 0.855 0.000 2 1261 137 137 ILE HG2 H 0.954 0.006 1 1262 137 137 ILE HD1 H 0.395 0.000 1 1263 137 137 ILE C C 177.36 0.017 1 1264 137 137 ILE CA C 64.763 0.052 1 1265 137 137 ILE CB C 37.767 0.041 1 1266 137 137 ILE CG2 C 19.355 0.000 1 1267 137 137 ILE CD1 C 15.497 0.000 1 1268 137 137 ILE N N 128.771 0.069 1 1269 138 138 ARG H H 9.094 0.012 1 1270 138 138 ARG HA H 4.795 0.012 1 1271 138 138 ARG HB2 H 2.012 0.008 2 1272 138 138 ARG HB3 H 1.392 0.012 2 1273 138 138 ARG HG2 H 2.066 0.000 2 1274 138 138 ARG HD2 H 2.989 0.000 2 1275 138 138 ARG HD3 H 2.883 0.000 2 1276 138 138 ARG HE H 7.207 0.000 1 1277 138 138 ARG C C 176.923 0.002 1 1278 138 138 ARG CA C 54.381 0.062 1 1279 138 138 ARG CB C 34.016 0.100 1 1280 138 138 ARG CD C 42.764 0.000 1 1281 138 138 ARG N N 125.415 0.064 1 1282 139 139 TYR H H 7.876 0.007 1 1283 139 139 TYR HA H 4.411 0.004 1 1284 139 139 TYR HB2 H 3.344 0.008 2 1285 139 139 TYR HB3 H 2.586 0.006 2 1286 139 139 TYR HD1 H 7.197 0.001 3 1287 139 139 TYR HD2 H 6.927 0.002 3 1288 139 139 TYR HE2 H 6.585 0.000 3 1289 139 139 TYR C C 173.526 0.013 1 1290 139 139 TYR CA C 60.201 0.043 1 1291 139 139 TYR CB C 43.864 0.100 1 1292 139 139 TYR N N 120.474 0.011 1 1293 140 140 ARG H H 7.912 0.010 1 1294 140 140 ARG HA H 4.643 0.007 1 1295 140 140 ARG HB2 H 0.948 0.008 2 1296 140 140 ARG HB3 H 0.788 0.016 2 1297 140 140 ARG HG2 H 1.409 0.012 2 1298 140 140 ARG HG3 H 1.194 0.002 2 1299 140 140 ARG HD2 H 2.958 0.000 2 1300 140 140 ARG HD3 H 2.756 0.001 2 1301 140 140 ARG HE H 6.749 0.002 1 1302 140 140 ARG C C 173.786 0.007 1 1303 140 140 ARG CA C 56.229 0.090 1 1304 140 140 ARG CB C 33.886 0.057 1 1305 140 140 ARG N N 128.351 0.054 1 1306 141 141 HIS H H 9.246 0.020 1 1307 141 141 HIS HA H 4.775 0.017 1 1308 141 141 HIS HB2 H 3.008 0.014 2 1309 141 141 HIS HB3 H 2.936 0.000 2 1310 141 141 HIS HD2 H 6.589 0.001 1 1311 141 141 HIS C C 173.684 0.032 1 1312 141 141 HIS CA C 55.583 0.064 1 1313 141 141 HIS CB C 33.203 0.042 1 1314 141 141 HIS N N 124.938 0.070 1 1315 142 142 ALA H H 8.45 0.028 1 1316 142 142 ALA HA H 4.399 0.012 1 1317 142 142 ALA HB H 1.123 0.013 1 1318 142 142 ALA C C 176.501 0.008 1 1319 142 142 ALA CA C 52.346 0.020 1 1320 142 142 ALA CB C 18.752 0.109 1 1321 142 142 ALA N N 133.013 0.054 1 1322 143 143 GLY H H 7.564 0.015 1 1323 143 143 GLY HA2 H 4.304 0.003 2 1324 143 143 GLY HA3 H 3.728 0.020 2 1325 143 143 GLY C C 172.876 0.011 1 1326 143 143 GLY CA C 44.58 0.040 1 1327 143 143 GLY N N 111.893 0.051 1 1328 144 144 ASP H H 8.884 0.007 1 1329 144 144 ASP HA H 4.411 0.013 1 1330 144 144 ASP HB2 H 2.572 0.013 2 1331 144 144 ASP HB3 H 2.393 0.006 2 1332 144 144 ASP C C 177.215 0.012 1 1333 144 144 ASP CA C 54.815 0.045 1 1334 144 144 ASP CB C 41.137 0.052 1 1335 144 144 ASP N N 116.951 0.044 1 1336 145 145 LEU H H 10.006 0.028 1 1337 145 145 LEU HA H 3.993 0.015 1 1338 145 145 LEU HB2 H 1.816 0.001 2 1339 145 145 LEU HD1 H 0.935 0.004 2 1340 145 145 LEU C C 175.06 0.038 1 1341 145 145 LEU CA C 56.655 0.070 1 1342 145 145 LEU CB C 43.039 0.069 1 1343 145 145 LEU CG C 28.918 0.000 1 1344 145 145 LEU CD1 C 26.439 0.000 2 1345 145 145 LEU CD2 C 26.001 0.000 2 1346 145 145 LEU N N 126.015 0.047 1 1347 146 146 ASN H H 6.558 0.011 1 1348 146 146 ASN HA H 4.213 0.004 1 1349 146 146 ASN HB2 H 3.225 0.000 2 1350 146 146 ASN HB3 H 2.763 0.000 2 1351 146 146 ASN C C 173.462 0.000 1 1352 146 146 ASN CA C 52.162 0.071 1 1353 146 146 ASN CB C 39.535 0.000 1 1354 146 146 ASN N N 117.861 0.052 1 1355 147 147 PRO HA H 4.652 0.016 1 1356 147 147 PRO HB2 H 2.351 0.014 2 1357 147 147 PRO HB3 H 1.85 0.024 2 1358 147 147 PRO HD2 H 3.55 0.000 2 1359 147 147 PRO C C 179.307 0.000 1 1360 147 147 PRO CA C 66.512 0.075 1 1361 147 147 PRO CB C 32.834 0.102 1 1362 147 147 PRO CG C 28.572 0.000 1 1363 147 147 PRO CD C 51.351 0.000 1 1364 148 148 ARG H H 7.877 0.003 1 1365 148 148 ARG HA H 4.109 0.005 1 1366 148 148 ARG HB2 H 1.855 0.006 2 1367 148 148 ARG HB3 H 1.776 0.000 2 1368 148 148 ARG HG2 H 1.542 0.008 2 1369 148 148 ARG HD2 H 3.182 0.000 2 1370 148 148 ARG C C 179.075 0.013 1 1371 148 148 ARG CA C 60.635 0.041 1 1372 148 148 ARG CB C 30.013 0.000 1 1373 148 148 ARG CG C 27.245 0.000 1 1374 148 148 ARG CD C 43.878 0.000 1 1375 148 148 ARG N N 118.723 0.052 1 1376 149 149 VAL H H 7.716 0.003 1 1377 149 149 VAL HA H 3.653 0.013 1 1378 149 149 VAL HB H 1.744 0.006 1 1379 149 149 VAL HG1 H 0.925 0.006 2 1380 149 149 VAL HG2 H 0.45 0.017 2 1381 149 149 VAL C C 180.372 0.007 1 1382 149 149 VAL CA C 66.833 0.096 1 1383 149 149 VAL CB C 33.519 0.000 1 1384 149 149 VAL CG1 C 23.029 0.000 2 1385 149 149 VAL CG2 C 20.847 0.000 2 1386 149 149 VAL N N 119.672 0.048 1 1387 150 150 TRP H H 8.32 0.008 1 1388 150 150 TRP HA H 4.288 0.006 1 1389 150 150 TRP HB2 H 3.547 0.005 2 1390 150 150 TRP HB3 H 3.237 0.008 2 1391 150 150 TRP HD1 H 7.145 0.000 1 1392 150 150 TRP HE3 H 7.094 0.000 1 1393 150 150 TRP C C 177.41 0.021 1 1394 150 150 TRP CA C 62.156 0.061 1 1395 150 150 TRP CB C 31.921 0.060 1 1396 150 150 TRP N N 119.89 0.094 1 1397 151 151 GLU H H 8.517 0.009 1 1398 151 151 GLU HA H 3.501 0.011 1 1399 151 151 GLU HB2 H 2.138 0.001 2 1400 151 151 GLU HB3 H 2.02 0.000 2 1401 151 151 GLU HG2 H 2.482 0.000 2 1402 151 151 GLU C C 179.353 0.005 1 1403 151 151 GLU CA C 60.919 0.017 1 1404 151 151 GLU CB C 30.742 0.069 1 1405 151 151 GLU CG C 37.163 0.000 1 1406 151 151 GLU N N 116.096 0.066 1 1407 152 152 GLU H H 8.335 0.005 1 1408 152 152 GLU HA H 4.13 0.011 1 1409 152 152 GLU HB2 H 2.055 0.014 2 1410 152 152 GLU HB3 H 2.493 0.002 2 1411 152 152 GLU HG2 H 2.51 0.000 2 1412 152 152 GLU HG3 H 2.244 0.000 2 1413 152 152 GLU C C 179.007 0.007 1 1414 152 152 GLU CA C 59.07 0.047 1 1415 152 152 GLU CB C 31.725 0.038 1 1416 152 152 GLU CG C 37.771 0.000 1 1417 152 152 GLU N N 111.939 0.072 1 1418 153 153 GLU H H 7.525 0.016 1 1419 153 153 GLU HA H 4.535 0.016 1 1420 153 153 GLU HB2 H 2.023 0.008 2 1421 153 153 GLU HB3 H 2.214 0.000 2 1422 153 153 GLU HG2 H 2.269 0.000 2 1423 153 153 GLU C C 177.36 0.012 1 1424 153 153 GLU CA C 58.132 0.082 1 1425 153 153 GLU CB C 32.563 0.030 1 1426 153 153 GLU CG C 36.984 0.000 1 1427 153 153 GLU N N 113.731 0.079 1 1428 154 154 ILE H H 7.386 0.015 1 1429 154 154 ILE HA H 3.514 0.013 1 1430 154 154 ILE HB H 1.705 0.008 1 1431 154 154 ILE HG2 H -0.05 0.000 1 1432 154 154 ILE HD1 H 0.635 0.000 1 1433 154 154 ILE C C 177.209 0.000 1 1434 154 154 ILE CA C 65.301 0.060 1 1435 154 154 ILE CB C 39.083 0.034 1 1436 154 154 ILE CG2 C 20.53 0.000 1 1437 154 154 ILE CD1 C 14.726 0.000 1 1438 154 154 ILE N N 116.567 0.060 1 1439 155 155 LYS H H 9.204 0.010 1 1440 155 155 LYS HB2 H 1.496 0.000 2 1441 155 155 LYS HB3 H 1.271 0.000 2 1442 155 155 LYS HG2 H 1.1 0.000 2 1443 155 155 LYS HG3 H 0.931 0.000 2 1444 155 155 LYS HD2 H 2.204 0.000 2 1445 155 155 LYS HD3 H 2.064 0.000 2 1446 155 155 LYS C C 174.958 0.000 1 1447 155 155 LYS CA C 62.038 0.065 1 1448 155 155 LYS CB C 30.396 0.000 1 1449 155 155 LYS N N 124.884 0.052 1 1450 156 156 PRO HA H 4.285 0.006 1 1451 156 156 PRO HB2 H 2.248 0.007 2 1452 156 156 PRO HB3 H 1.625 0.002 2 1453 156 156 PRO HG2 H 1.786 0.000 2 1454 156 156 PRO HD2 H 2.961 0.008 2 1455 156 156 PRO HD3 H 3.267 0.003 2 1456 156 156 PRO C C 181.716 0.006 1 1457 156 156 PRO CA C 66.716 0.068 1 1458 156 156 PRO CB C 31.609 0.055 1 1459 156 156 PRO CG C 29.316 0.000 1 1460 156 156 PRO CD C 50.173 0.000 1 1461 157 157 LEU H H 6.845 0.015 1 1462 157 157 LEU HA H 4.126 0.011 1 1463 157 157 LEU HB2 H 2.032 0.013 2 1464 157 157 LEU HB3 H 1.361 0.018 2 1465 157 157 LEU HG H 1.778 0.000 1 1466 157 157 LEU HD1 H 0.981 0.000 2 1467 157 157 LEU C C 179.18 0.010 1 1468 157 157 LEU CA C 57.925 0.077 1 1469 157 157 LEU CB C 43.765 0.000 1 1470 157 157 LEU CG C 27.74 0.000 1 1471 157 157 LEU CD1 C 23.898 0.000 2 1472 157 157 LEU N N 117.82 0.056 1 1473 158 158 TRP H H 9.042 0.012 1 1474 158 158 TRP HA H 3.888 0.002 1 1475 158 158 TRP HB3 H 2.596 0.000 2 1476 158 158 TRP HZ3 H 6.885 0.000 1 1477 158 158 TRP HH2 H 7.351 0.000 1 1478 158 158 TRP C C 180.785 0.005 1 1479 158 158 TRP CA C 63.079 0.000 1 1480 158 158 TRP CB C 30.593 0.000 1 1481 158 158 TRP N N 123.604 0.039 1 1482 159 159 GLU H H 8.991 0.012 1 1483 159 159 GLU HA H 3.871 0.009 1 1484 159 159 GLU HB2 H 2.016 0.007 2 1485 159 159 GLU HG2 H 2.6 0.000 2 1486 159 159 GLU HG3 H 2.354 0.010 2 1487 159 159 GLU C C 179.827 0.004 1 1488 159 159 GLU CA C 60.87 0.018 1 1489 159 159 GLU CB C 30.2 0.101 1 1490 159 159 GLU CG C 37.79 0.000 1 1491 159 159 GLU N N 119.643 0.000 1 1492 160 160 LYS H H 7.449 0.008 1 1493 160 160 LYS HA H 3.877 0.009 1 1494 160 160 LYS HB2 H 1.804 0.000 2 1495 160 160 LYS HB3 H 1.609 0.003 2 1496 160 160 LYS HG2 H 1.171 0.000 2 1497 160 160 LYS HG3 H 1.412 0.008 2 1498 160 160 LYS HE2 H 2.829 0.000 2 1499 160 160 LYS HE3 H 2.637 0.000 2 1500 160 160 LYS C C 180.548 0.002 1 1501 160 160 LYS CA C 60.649 0.045 1 1502 160 160 LYS CB C 33.8 0.063 1 1503 160 160 LYS CD C 30.732 0.000 1 1504 160 160 LYS CE C 42.932 0.000 1 1505 160 160 LYS N N 121.207 0.062 1 1506 161 161 TYR H H 8.486 0.007 1 1507 161 161 TYR HA H 4.273 0.003 1 1508 161 161 TYR HB2 H 3.243 0.009 2 1509 161 161 TYR HB3 H 2.433 0.004 2 1510 161 161 TYR C C 179.997 0.000 1 1511 161 161 TYR CA C 63.789 0.065 1 1512 161 161 TYR CB C 37.449 0.043 1 1513 161 161 TYR N N 116.296 0.059 1 1514 162 162 SER H H 8.563 0.025 1 1515 162 162 SER HA H 3.914 0.016 1 1516 162 162 SER HB2 H 3.557 0.000 2 1517 162 162 SER HB3 H 3.728 0.002 2 1518 162 162 SER C C 176.945 0.004 1 1519 162 162 SER CA C 63.423 0.054 1 1520 162 162 SER N N 121.862 0.064 1 1521 163 163 LYS H H 7.718 0.009 1 1522 163 163 LYS HA H 4.114 0.009 1 1523 163 163 LYS HB2 H 1.867 0.004 2 1524 163 163 LYS HB3 H 2.168 0.000 2 1525 163 163 LYS HG2 H 1.425 0.000 2 1526 163 163 LYS HG3 H 1.401 0.000 2 1527 163 163 LYS HD2 H 1.636 0.000 2 1528 163 163 LYS HE2 H 2.947 0.000 2 1529 163 163 LYS C C 180.062 0.007 1 1530 163 163 LYS CA C 60.175 0.058 1 1531 163 163 LYS CB C 32.997 0.074 1 1532 163 163 LYS CG C 25.969 0.000 1 1533 163 163 LYS CD C 29.953 0.000 1 1534 163 163 LYS CE C 43.339 0.000 1 1535 163 163 LYS N N 124.063 0.061 1 1536 164 164 GLU H H 7.733 0.008 1 1537 164 164 GLU HA H 4.037 0.024 1 1538 164 164 GLU HB2 H 2.107 0.020 2 1539 164 164 GLU HB3 H 1.96 0.015 2 1540 164 164 GLU HG3 H 2.41 0.001 2 1541 164 164 GLU C C 179.513 0.042 1 1542 164 164 GLU CA C 60.16 0.078 1 1543 164 164 GLU CB C 30.832 0.080 1 1544 164 164 GLU CG C 37.322 0.000 1 1545 164 164 GLU N N 119.123 0.085 1 1546 165 165 ALA H H 7.567 0.009 1 1547 165 165 ALA HA H 4.256 0.007 1 1548 165 165 ALA HB H 1.647 0.004 1 1549 165 165 ALA C C 179.954 0.001 1 1550 165 165 ALA CA C 54.872 0.083 1 1551 165 165 ALA CB C 19.491 0.019 1 1552 165 165 ALA N N 121.254 0.080 1 1553 166 166 ALA H H 7.714 0.003 1 1554 166 166 ALA HA H 4.275 0.009 1 1555 166 166 ALA HB H 1.475 0.007 1 1556 166 166 ALA C C 179.957 0.008 1 1557 166 166 ALA CA C 54.527 0.103 1 1558 166 166 ALA CB C 19.543 0.031 1 1559 166 166 ALA N N 121.513 0.063 1 1560 167 167 GLN H H 7.846 0.005 1 1561 167 167 GLN HA H 4.212 0.012 1 1562 167 167 GLN HB2 H 2.107 0.010 2 1563 167 167 GLN HG2 H 2.433 0.002 2 1564 167 167 GLN C C 177.826 0.003 1 1565 167 167 GLN CA C 57.596 0.067 1 1566 167 167 GLN CB C 29.757 0.070 1 1567 167 167 GLN CG C 34.677 0.000 1 1568 167 167 GLN N N 118.106 0.051 1 1569 168 168 LEU H H 7.827 0.003 1 1570 168 168 LEU HA H 4.244 0.001 1 1571 168 168 LEU HB2 H 1.673 0.002 2 1572 168 168 LEU HB3 H 1.551 0.000 2 1573 168 168 LEU C C 178.83 0.000 1 1574 168 168 LEU CA C 56.703 0.072 1 1575 168 168 LEU CB C 43.09 0.086 1 1576 168 168 LEU CG C 27.747 0.000 1 1577 168 168 LEU CD1 C 25.482 0.000 2 1578 168 168 LEU CD2 C 24.491 0.000 2 1579 168 168 LEU N N 121.789 0.055 1 1580 169 169 GLU H H 8.045 0.004 1 1581 169 169 GLU HA H 4.124 0.013 1 1582 169 169 GLU HB2 H 1.908 0.003 2 1583 169 169 GLU HG2 H 2.159 0.000 2 1584 169 169 GLU C C 177.685 0.005 1 1585 169 169 GLU CA C 58.108 0.059 1 1586 169 169 GLU CB C 31.058 0.000 1 1587 169 169 GLU N N 120.93 0.068 1 1588 170 170 HIS H H 8.18 0.001 1 1589 170 170 HIS C C 177.689 0.000 1 1590 170 170 HIS N N 119.785 0.041 1 1591 174 174 HIS HA H 4.603 0.005 1 1592 174 174 HIS HB2 H 3.083 0.006 2 1593 174 174 HIS C C 175.089 0.015 1 1594 174 174 HIS CA C 56.896 0.027 1 1595 174 174 HIS CB C 31.023 0.000 1 1596 175 175 HIS H H 8.108 0.004 1 1597 175 175 HIS HA H 4.403 0.000 1 1598 175 175 HIS HB2 H 3.037 0.005 2 1599 175 175 HIS C C 180.351 0.000 1 1600 175 175 HIS CA C 58.339 0.054 1 1601 175 175 HIS CB C 31.249 0.000 1 1602 175 175 HIS N N 126.126 0.008 1 stop_ save_