data_16124 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of RppH from Escherichia coli ; _BMRB_accession_number 16124 _BMRB_flat_file_name bmr16124.str _Entry_type original _Submission_date 2009-01-18 _Accession_date 2009-01-18 _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 Bi Yunchen . . 2 Li Hongwei . . 3 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 941 "13C chemical shifts" 717 "15N chemical shifts" 187 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'edit entity/assembly name' 2009-08-20 update BMRB 'added PubMed ID' 2009-06-05 update BMRB 'completed entry citation' 2009-04-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16125 'RppH mutant E53A' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments of RNA pyrophosphohydrolase RppH from Escherichia coli' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636968 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bi Yunchen . . 2 Li Hongwei . . 3 Fan Shoujin . . 4 Xia Bin . . 5 Jin Changwen . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 149 _Page_last 151 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RppH _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RppH $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RppH _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; MIDDDGYRPNVGIVICNRQG QVMWARRFGQHSWQFPQGGI NPGESAEQAMYRELFEEVGL SRKDVRILASTRNWLRYKLP KRLVRWDTKPVCIGQKQKWF LLQLVSGDAEINMQTSSTPE FDGWRWVSYWYPVRQVVSFK RDVYRRVMKEFASVVMSLQE NTPK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 ASP 4 ASP 5 ASP 6 GLY 7 TYR 8 ARG 9 PRO 10 ASN 11 VAL 12 GLY 13 ILE 14 VAL 15 ILE 16 CYS 17 ASN 18 ARG 19 GLN 20 GLY 21 GLN 22 VAL 23 MET 24 TRP 25 ALA 26 ARG 27 ARG 28 PHE 29 GLY 30 GLN 31 HIS 32 SER 33 TRP 34 GLN 35 PHE 36 PRO 37 GLN 38 GLY 39 GLY 40 ILE 41 ASN 42 PRO 43 GLY 44 GLU 45 SER 46 ALA 47 GLU 48 GLN 49 ALA 50 MET 51 TYR 52 ARG 53 GLU 54 LEU 55 PHE 56 GLU 57 GLU 58 VAL 59 GLY 60 LEU 61 SER 62 ARG 63 LYS 64 ASP 65 VAL 66 ARG 67 ILE 68 LEU 69 ALA 70 SER 71 THR 72 ARG 73 ASN 74 TRP 75 LEU 76 ARG 77 TYR 78 LYS 79 LEU 80 PRO 81 LYS 82 ARG 83 LEU 84 VAL 85 ARG 86 TRP 87 ASP 88 THR 89 LYS 90 PRO 91 VAL 92 CYS 93 ILE 94 GLY 95 GLN 96 LYS 97 GLN 98 LYS 99 TRP 100 PHE 101 LEU 102 LEU 103 GLN 104 LEU 105 VAL 106 SER 107 GLY 108 ASP 109 ALA 110 GLU 111 ILE 112 ASN 113 MET 114 GLN 115 THR 116 SER 117 SER 118 THR 119 PRO 120 GLU 121 PHE 122 ASP 123 GLY 124 TRP 125 ARG 126 TRP 127 VAL 128 SER 129 TYR 130 TRP 131 TYR 132 PRO 133 VAL 134 ARG 135 GLN 136 VAL 137 VAL 138 SER 139 PHE 140 LYS 141 ARG 142 ASP 143 VAL 144 TYR 145 ARG 146 ARG 147 VAL 148 MET 149 LYS 150 GLU 151 PHE 152 ALA 153 SER 154 VAL 155 VAL 156 MET 157 SER 158 LEU 159 GLN 160 GLU 161 ASN 162 THR 163 PRO 164 LYS 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 2KDV "Solution Structure Of Rna Pyrophosphohydrolase Rpph From Escherichia Coli" 100.00 164 100.00 100.00 1.04e-116 PDB 2KDW "Solution Structure Of Rpph Mutant E53a From Escherichia Coli" 100.00 164 99.39 99.39 6.39e-116 PDB 4S2V "E. Coli Rpph Structure, Ki Soak" 95.12 157 100.00 100.00 2.61e-110 PDB 4S2W "Structure Of E. Coli Rpph Bound To Sulfate Ions" 96.34 161 100.00 100.00 5.67e-112 PDB 4S2X "Structure Of E. Coli Rpph Bound To Rna And Two Magnesium Ions" 96.34 161 100.00 100.00 5.67e-112 PDB 4S2Y "Structure Of E. Coli Rpph Bound To Rna And Three Magnesium Ions" 96.34 161 100.00 100.00 5.67e-112 DBJ BAB37110 "putative invasion protein [Escherichia coli O157:H7 str. Sakai]" 100.00 176 100.00 100.00 1.47e-116 DBJ BAE76899 "nucleotide hydrolase [Escherichia coli str. K12 substr. W3110]" 100.00 176 100.00 100.00 1.47e-116 DBJ BAG78611 "dinucleoside polyphosphate hydrolase [Escherichia coli SE11]" 100.00 176 100.00 100.00 1.47e-116 DBJ BAI27093 "nucleotide hydrolase [Escherichia coli O26:H11 str. 11368]" 100.00 176 100.00 100.00 1.47e-116 DBJ BAI32136 "nucleotide hydrolase [Escherichia coli O103:H2 str. 12009]" 100.00 176 100.00 100.00 1.47e-116 EMBL CAD02829 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 176 96.95 98.78 1.39e-113 EMBL CAP77286 "(Di)nucleoside polyphosphate hydrolase [Escherichia coli LF82]" 100.00 176 100.00 100.00 1.47e-116 EMBL CAQ33156 "RNA pyrophosphohydrolase [Escherichia coli BL21(DE3)]" 100.00 176 100.00 100.00 1.47e-116 EMBL CAQ90258 "nucleotide hydrolase [Escherichia fergusonii ATCC 35469]" 100.00 176 96.95 99.39 5.82e-114 EMBL CAQ99756 "nucleotide hydrolase [Escherichia coli IAI1]" 100.00 176 100.00 100.00 1.47e-116 GB AAB40477 "ORF_f176 [Escherichia coli str. K-12 substr. MG1655]" 100.00 176 100.00 100.00 1.47e-116 GB AAC75869 "RNA pyrophosphohydrolase [Escherichia coli str. K-12 substr. MG1655]" 100.00 176 100.00 100.00 1.47e-116 GB AAG57941 "putative invasion protein [Escherichia coli O157:H7 str. EDL933]" 100.00 176 100.00 100.00 1.47e-116 GB AAL21880 "putative invasion protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 176 96.95 98.78 1.39e-113 GB AAN44326 "putative invasion protein [Shigella flexneri 2a str. 301]" 100.00 176 100.00 100.00 1.47e-116 PIR AE0866 "conserved hypothetical protein STY3145 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 176 96.95 98.78 1.39e-113 REF NP_311714 "dinucleoside polyphosphate hydrolase [Escherichia coli O157:H7 str. Sakai]" 100.00 176 100.00 100.00 1.47e-116 REF NP_417307 "RNA pyrophosphohydrolase [Escherichia coli str. K-12 substr. MG1655]" 100.00 176 100.00 100.00 1.47e-116 REF NP_457398 "RNA pyrophosphohydrolase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 176 96.95 98.78 1.39e-113 REF NP_461921 "RNA pyrophosphohydrolase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 176 96.95 98.78 1.39e-113 REF NP_708619 "RNA pyrophosphohydrolase [Shigella flexneri 2a str. 301]" 100.00 176 100.00 100.00 1.47e-116 SP A7ZQT6 "RecName: Full=RNA pyrophosphohydrolase; AltName: Full=(Di)nucleoside polyphosphate hydrolase" 100.00 176 100.00 100.00 1.47e-116 SP A8A3W3 "RecName: Full=RNA pyrophosphohydrolase; AltName: Full=(Di)nucleoside polyphosphate hydrolase" 100.00 176 100.00 100.00 1.47e-116 SP A9MS78 "RecName: Full=RNA pyrophosphohydrolase; AltName: Full=(Di)nucleoside polyphosphate hydrolase" 100.00 176 97.56 99.39 1.14e-114 SP A9N2M1 "RecName: Full=RNA pyrophosphohydrolase; AltName: Full=(Di)nucleoside polyphosphate hydrolase" 100.00 176 96.95 98.78 1.39e-113 SP B1IU14 "RecName: Full=RNA pyrophosphohydrolase; AltName: Full=(Di)nucleoside polyphosphate hydrolase" 100.00 176 100.00 100.00 1.47e-116 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 $entity 'E. coli' 562 Eubacteria . Escherichia coli k12 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 $entity 'recombinant technology' . Escherichia coli . pet21 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 'sodium acetate' 50 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' DTT 40 mM 'natural abundance' arginine 10 mM 'natural abundance' glutamic 10 mM 'natural abundance' $entity 0.8 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 90 . mM pH 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 . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 RppH _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.227 0.02 1 2 1 1 MET HB2 H 2.219 0.02 2 3 1 1 MET HE H 2.073 0.02 1 4 1 1 MET HG2 H 2.425 0.02 2 5 1 1 MET HG3 H 2.646 0.02 2 6 1 1 MET C C 171.343 0.3 1 7 1 1 MET CA C 55.160 0.3 1 8 1 1 MET CB C 33.290 0.3 1 9 1 1 MET CE C 17.084 0.3 1 10 1 1 MET CG C 30.675 0.3 1 11 2 2 ILE H H 8.530 0.02 1 12 2 2 ILE HA H 4.216 0.02 1 13 2 2 ILE HB H 1.733 0.02 1 14 2 2 ILE HD1 H 0.830 0.02 1 15 2 2 ILE HG12 H 1.127 0.02 1 16 2 2 ILE HG13 H 1.470 0.02 1 17 2 2 ILE HG2 H 0.884 0.02 1 18 2 2 ILE C C 175.401 0.3 1 19 2 2 ILE CA C 61.110 0.3 1 20 2 2 ILE CB C 39.200 0.3 1 21 2 2 ILE CD1 C 13.635 0.3 1 22 2 2 ILE CG1 C 27.585 0.3 1 23 2 2 ILE CG2 C 17.349 0.3 1 24 2 2 ILE N N 121.690 0.3 1 25 3 3 ASP H H 8.398 0.02 1 26 3 3 ASP HA H 4.667 0.02 1 27 3 3 ASP HB2 H 2.866 0.02 2 28 3 3 ASP C C 176.837 0.3 1 29 3 3 ASP CA C 53.740 0.3 1 30 3 3 ASP CB C 40.970 0.3 1 31 3 3 ASP N N 125.470 0.3 1 32 4 4 ASP H H 8.433 0.02 1 33 4 4 ASP HA H 4.437 0.02 1 34 4 4 ASP HB2 H 2.639 0.02 2 35 4 4 ASP HB3 H 2.735 0.02 2 36 4 4 ASP C C 176.309 0.3 1 37 4 4 ASP CA C 56.170 0.3 1 38 4 4 ASP CB C 40.920 0.3 1 39 4 4 ASP N N 119.200 0.3 1 40 5 5 ASP H H 8.099 0.02 1 41 5 5 ASP HA H 4.602 0.02 1 42 5 5 ASP HB2 H 2.802 0.02 2 43 5 5 ASP HB3 H 3.000 0.02 2 44 5 5 ASP C C 176.544 0.3 1 45 5 5 ASP CA C 53.980 0.3 1 46 5 5 ASP CB C 40.950 0.3 1 47 5 5 ASP N N 118.220 0.3 1 48 6 6 GLY H H 8.326 0.02 1 49 6 6 GLY HA2 H 3.703 0.02 2 50 6 6 GLY HA3 H 4.187 0.02 2 51 6 6 GLY C C 173.797 0.3 1 52 6 6 GLY CA C 45.580 0.3 1 53 6 6 GLY N N 107.440 0.3 1 54 7 7 TYR H H 8.233 0.02 1 55 7 7 TYR HA H 4.547 0.02 1 56 7 7 TYR HB2 H 2.088 0.02 2 57 7 7 TYR HB3 H 2.969 0.02 2 58 7 7 TYR HD1 H 6.749 0.02 3 59 7 7 TYR HE1 H 6.541 0.02 3 60 7 7 TYR C C 175.664 0.3 1 61 7 7 TYR CA C 56.710 0.3 1 62 7 7 TYR CB C 39.210 0.3 1 63 7 7 TYR CD1 C 132.868 0.3 3 64 7 7 TYR CE1 C 117.830 0.3 3 65 7 7 TYR N N 119.240 0.3 1 66 8 8 ARG H H 8.380 0.02 1 67 8 8 ARG HA H 5.057 0.02 1 68 8 8 ARG HB2 H 1.968 0.02 2 69 8 8 ARG HB3 H 1.992 0.02 2 70 8 8 ARG HD2 H 3.269 0.02 2 71 8 8 ARG HD3 H 3.329 0.02 2 72 8 8 ARG HG2 H 2.011 0.02 2 73 8 8 ARG CA C 53.560 0.3 1 74 8 8 ARG CB C 31.993 0.3 1 75 8 8 ARG CD C 43.643 0.3 1 76 8 8 ARG CG C 27.140 0.3 1 77 8 8 ARG N N 125.050 0.3 1 78 9 9 PRO HA H 5.295 0.02 1 79 9 9 PRO HB2 H 1.915 0.02 2 80 9 9 PRO HB3 H 2.125 0.02 2 81 9 9 PRO HD2 H 4.060 0.02 2 82 9 9 PRO HG2 H 1.980 0.02 2 83 9 9 PRO HG3 H 2.304 0.02 2 84 9 9 PRO C C 177.306 0.3 1 85 9 9 PRO CA C 62.450 0.3 1 86 9 9 PRO CB C 32.750 0.3 1 87 9 9 PRO CD C 51.212 0.3 1 88 9 9 PRO CG C 27.437 0.3 1 89 10 10 ASN H H 9.483 0.02 1 90 10 10 ASN HA H 5.429 0.02 1 91 10 10 ASN HB2 H 2.545 0.02 2 92 10 10 ASN HB3 H 2.659 0.02 2 93 10 10 ASN HD21 H 7.146 0.02 2 94 10 10 ASN HD22 H 6.631 0.02 2 95 10 10 ASN C C 172.909 0.3 1 96 10 10 ASN CA C 52.980 0.3 1 97 10 10 ASN CB C 45.270 0.3 1 98 10 10 ASN CG C 175.342 0.3 1 99 10 10 ASN N N 124.760 0.3 1 100 10 10 ASN ND2 N 109.988 0.3 1 101 11 11 VAL H H 9.223 0.02 1 102 11 11 VAL HA H 5.470 0.02 1 103 11 11 VAL HB H 1.864 0.02 1 104 11 11 VAL HG1 H 0.714 0.02 2 105 11 11 VAL HG2 H 0.977 0.02 2 106 11 11 VAL C C 174.169 0.3 1 107 11 11 VAL CA C 58.510 0.3 1 108 11 11 VAL CB C 35.300 0.3 1 109 11 11 VAL CG1 C 19.076 0.3 1 110 11 11 VAL CG2 C 21.479 0.3 1 111 11 11 VAL N N 115.040 0.3 1 112 12 12 GLY H H 7.843 0.02 1 113 12 12 GLY HA2 H 4.282 0.02 2 114 12 12 GLY HA3 H 4.255 0.02 2 115 12 12 GLY C C 172.704 0.3 1 116 12 12 GLY CA C 42.690 0.3 1 117 12 12 GLY N N 110.338 0.3 1 118 13 13 ILE H H 7.902 0.02 1 119 13 13 ILE HA H 4.695 0.02 1 120 13 13 ILE HB H 1.536 0.02 1 121 13 13 ILE HD1 H 0.621 0.02 1 122 13 13 ILE HG12 H 0.609 0.02 1 123 13 13 ILE HG13 H 1.297 0.02 1 124 13 13 ILE HG2 H 0.739 0.02 1 125 13 13 ILE C C 173.701 0.3 1 126 13 13 ILE CA C 61.220 0.3 1 127 13 13 ILE CB C 42.040 0.3 1 128 13 13 ILE CD1 C 14.126 0.3 1 129 13 13 ILE CG1 C 27.419 0.3 1 130 13 13 ILE CG2 C 19.447 0.3 1 131 13 13 ILE N N 121.470 0.3 1 132 14 14 VAL H H 9.042 0.02 1 133 14 14 VAL HA H 3.845 0.02 1 134 14 14 VAL HB H 2.007 0.02 1 135 14 14 VAL HG1 H 0.417 0.02 2 136 14 14 VAL HG2 H 0.556 0.02 2 137 14 14 VAL C C 174.257 0.3 1 138 14 14 VAL CA C 61.340 0.3 1 139 14 14 VAL CB C 32.430 0.3 1 140 14 14 VAL CG1 C 20.303 0.3 1 141 14 14 VAL CG2 C 21.334 0.3 1 142 14 14 VAL N N 127.670 0.3 1 143 15 15 ILE H H 9.220 0.02 1 144 15 15 ILE HA H 4.892 0.02 1 145 15 15 ILE HB H 1.823 0.02 1 146 15 15 ILE HD1 H 0.726 0.02 1 147 15 15 ILE HG12 H 1.611 0.02 1 148 15 15 ILE HG13 H 0.720 0.02 1 149 15 15 ILE HG2 H 0.916 0.02 1 150 15 15 ILE C C 175.166 0.3 1 151 15 15 ILE CA C 60.410 0.3 1 152 15 15 ILE CB C 39.170 0.3 1 153 15 15 ILE CD1 C 14.161 0.3 1 154 15 15 ILE CG1 C 29.303 0.3 1 155 15 15 ILE CG2 C 18.412 0.3 1 156 15 15 ILE N N 128.140 0.3 1 157 16 16 CYS H H 9.580 0.02 1 158 16 16 CYS HA H 6.484 0.02 1 159 16 16 CYS HB2 H 2.639 0.02 2 160 16 16 CYS HB3 H 3.120 0.02 2 161 16 16 CYS C C 177.524 0.3 1 162 16 16 CYS CA C 54.970 0.3 1 163 16 16 CYS CB C 32.580 0.3 1 164 16 16 CYS N N 123.370 0.3 1 165 17 17 ASN H H 7.780 0.02 1 166 17 17 ASN HA H 4.943 0.02 1 167 17 17 ASN HB2 H 1.483 0.02 2 168 17 17 ASN HB3 H 3.029 0.02 2 169 17 17 ASN HD21 H 7.342 0.02 2 170 17 17 ASN HD22 H 6.540 0.02 2 171 17 17 ASN C C 174.965 0.3 1 172 17 17 ASN CA C 49.750 0.3 1 173 17 17 ASN CB C 38.590 0.3 1 174 17 17 ASN CG C 179.651 0.3 1 175 17 17 ASN N N 118.057 0.3 1 176 17 17 ASN ND2 N 110.954 0.3 1 177 18 18 ARG H H 8.087 0.02 1 178 18 18 ARG HA H 4.078 0.02 1 179 18 18 ARG HB2 H 1.755 0.02 2 180 18 18 ARG HB3 H 1.967 0.02 2 181 18 18 ARG HD2 H 3.201 0.02 2 182 18 18 ARG HE H 7.289 0.02 1 183 18 18 ARG HG2 H 1.565 0.02 2 184 18 18 ARG HG3 H 1.686 0.02 2 185 18 18 ARG C C 176.014 0.3 1 186 18 18 ARG CA C 58.190 0.3 1 187 18 18 ARG CB C 29.470 0.3 1 188 18 18 ARG CD C 43.416 0.3 1 189 18 18 ARG CG C 27.684 0.3 1 190 18 18 ARG N N 116.100 0.3 1 191 18 18 ARG NE N 110.755 0.3 1 192 19 19 GLN H H 7.420 0.02 1 193 19 19 GLN HA H 4.445 0.02 1 194 19 19 GLN HB2 H 1.770 0.02 2 195 19 19 GLN HB3 H 2.143 0.02 2 196 19 19 GLN HE21 H 7.320 0.02 2 197 19 19 GLN HE22 H 6.673 0.02 2 198 19 19 GLN HG2 H 2.130 0.02 2 199 19 19 GLN HG3 H 2.225 0.02 2 200 19 19 GLN C C 176.173 0.3 1 201 19 19 GLN CA C 55.330 0.3 1 202 19 19 GLN CB C 28.760 0.3 1 203 19 19 GLN CD C 180.589 0.3 1 204 19 19 GLN CG C 34.384 0.3 1 205 19 19 GLN N N 115.460 0.3 1 206 19 19 GLN NE2 N 111.465 0.3 1 207 20 20 GLY H H 8.219 0.02 1 208 20 20 GLY HA2 H 3.383 0.02 2 209 20 20 GLY HA3 H 3.992 0.02 2 210 20 20 GLY C C 174.164 0.3 1 211 20 20 GLY CA C 46.310 0.3 1 212 20 20 GLY N N 108.120 0.3 1 213 21 21 GLN H H 7.512 0.02 1 214 21 21 GLN HA H 4.819 0.02 1 215 21 21 GLN HB2 H 1.818 0.02 2 216 21 21 GLN HG2 H 2.025 0.02 2 217 21 21 GLN HG3 H 2.102 0.02 2 218 21 21 GLN C C 175.302 0.3 1 219 21 21 GLN CA C 54.570 0.3 1 220 21 21 GLN CB C 31.130 0.3 1 221 21 21 GLN CD C 179.706 0.3 1 222 21 21 GLN CG C 34.350 0.3 1 223 21 21 GLN N N 116.750 0.3 1 224 22 22 VAL H H 9.076 0.02 1 225 22 22 VAL HA H 6.069 0.02 1 226 22 22 VAL HB H 2.288 0.02 1 227 22 22 VAL HG1 H 0.905 0.02 2 228 22 22 VAL HG2 H 0.841 0.02 2 229 22 22 VAL C C 176.137 0.3 1 230 22 22 VAL CA C 58.500 0.3 1 231 22 22 VAL CB C 35.980 0.3 1 232 22 22 VAL CG1 C 19.516 0.3 1 233 22 22 VAL CG2 C 22.664 0.3 1 234 22 22 VAL N N 108.307 0.3 1 235 23 23 MET H H 8.954 0.02 1 236 23 23 MET HA H 4.249 0.02 1 237 23 23 MET HB2 H 2.152 0.02 2 238 23 23 MET HE H 1.309 0.02 1 239 23 23 MET C C 174.218 0.3 1 240 23 23 MET CA C 57.361 0.3 1 241 23 23 MET CB C 32.930 0.3 1 242 23 23 MET CE C 17.084 0.3 1 243 23 23 MET N N 123.780 0.3 1 244 24 24 TRP H H 9.350 0.02 1 245 24 24 TRP HA H 4.244 0.02 1 246 24 24 TRP HB2 H 2.506 0.02 2 247 24 24 TRP HD1 H 6.326 0.02 1 248 24 24 TRP HE1 H 9.894 0.02 1 249 24 24 TRP HZ2 H 6.450 0.02 1 250 24 24 TRP C C 174.467 0.3 1 251 24 24 TRP CA C 54.910 0.3 1 252 24 24 TRP CD1 C 127.380 0.3 1 253 24 24 TRP CZ2 C 118.039 0.3 1 254 24 24 TRP N N 108.110 0.3 1 255 24 24 TRP NE1 N 129.634 0.3 1 256 25 25 ALA H H 7.868 0.02 1 257 25 25 ALA HA H 5.080 0.02 1 258 25 25 ALA HB H 0.397 0.02 1 259 25 25 ALA C C 173.418 0.3 1 260 25 25 ALA CA C 51.310 0.3 1 261 25 25 ALA CB C 21.000 0.3 1 262 25 25 ALA N N 128.760 0.3 1 263 26 26 ARG H H 7.835 0.02 1 264 26 26 ARG HA H 3.486 0.02 1 265 26 26 ARG HB2 H 0.568 0.02 2 266 26 26 ARG HB3 H 0.976 0.02 2 267 26 26 ARG C C 177.470 0.3 1 268 26 26 ARG CA C 54.670 0.3 1 269 26 26 ARG CB C 30.010 0.3 1 270 26 26 ARG N N 123.750 0.3 1 271 27 27 ARG H H 8.596 0.02 1 272 27 27 ARG HA H 4.323 0.02 1 273 27 27 ARG HB2 H 1.583 0.02 2 274 27 27 ARG HD2 H 3.160 0.02 2 275 27 27 ARG HD3 H 2.940 0.02 2 276 27 27 ARG HG2 H 1.640 0.02 2 277 27 27 ARG HG3 H 1.421 0.02 2 278 27 27 ARG C C 175.835 0.3 1 279 27 27 ARG CA C 56.370 0.3 1 280 27 27 ARG CB C 30.360 0.3 1 281 27 27 ARG CD C 42.500 0.3 1 282 27 27 ARG CG C 27.900 0.3 1 283 27 27 ARG N N 126.650 0.3 1 284 28 28 PHE H H 8.380 0.02 1 285 28 28 PHE HA H 3.751 0.02 1 286 28 28 PHE HB2 H 2.432 0.02 2 287 28 28 PHE HB3 H 2.845 0.02 2 288 28 28 PHE HD1 H 7.053 0.02 3 289 28 28 PHE HE1 H 7.340 0.02 3 290 28 28 PHE C C 177.079 0.3 1 291 28 28 PHE CA C 59.570 0.3 1 292 28 28 PHE CB C 39.680 0.3 1 293 28 28 PHE CD1 C 131.756 0.3 3 294 28 28 PHE CE1 C 130.430 0.3 3 295 28 28 PHE N N 123.760 0.3 1 296 29 29 GLY H H 8.446 0.02 1 297 29 29 GLY HA2 H 3.238 0.02 2 298 29 29 GLY HA3 H 3.868 0.02 2 299 29 29 GLY C C 173.880 0.3 1 300 29 29 GLY CA C 45.910 0.3 1 301 29 29 GLY N N 117.280 0.3 1 302 30 30 GLN H H 8.068 0.02 1 303 30 30 GLN HA H 4.387 0.02 1 304 30 30 GLN HB2 H 1.719 0.02 2 305 30 30 GLN HB3 H 2.207 0.02 2 306 30 30 GLN HE21 H 7.579 0.02 2 307 30 30 GLN HE22 H 6.751 0.02 2 308 30 30 GLN HG2 H 2.269 0.02 2 309 30 30 GLN C C 175.462 0.3 1 310 30 30 GLN CA C 54.980 0.3 1 311 30 30 GLN CB C 31.330 0.3 1 312 30 30 GLN CG C 33.541 0.3 1 313 30 30 GLN N N 119.478 0.3 1 314 30 30 GLN NE2 N 112.025 0.3 1 315 31 31 HIS H H 8.407 0.02 1 316 31 31 HIS HA H 4.592 0.02 1 317 31 31 HIS HB2 H 3.207 0.02 2 318 31 31 HIS HB3 H 3.500 0.02 2 319 31 31 HIS HD2 H 7.317 0.02 1 320 31 31 HIS C C 173.489 0.3 1 321 31 31 HIS CA C 54.670 0.3 1 322 31 31 HIS CB C 27.290 0.3 1 323 31 31 HIS CD2 C 119.868 0.3 1 324 31 31 HIS N N 113.730 0.3 1 325 32 32 SER H H 6.858 0.02 1 326 32 32 SER HA H 4.840 0.02 1 327 32 32 SER HB2 H 3.851 0.02 2 328 32 32 SER HB3 H 3.891 0.02 2 329 32 32 SER C C 172.156 0.3 1 330 32 32 SER CA C 57.320 0.3 1 331 32 32 SER CB C 65.110 0.3 1 332 32 32 SER N N 112.230 0.3 1 333 33 33 TRP H H 8.411 0.02 1 334 33 33 TRP HA H 4.292 0.02 1 335 33 33 TRP HB2 H 3.510 0.02 2 336 33 33 TRP HD1 H 7.254 0.02 1 337 33 33 TRP HE1 H 10.237 0.02 1 338 33 33 TRP HH2 H 6.945 0.02 1 339 33 33 TRP HZ2 H 7.450 0.02 1 340 33 33 TRP C C 175.876 0.3 1 341 33 33 TRP CA C 55.880 0.3 1 342 33 33 TRP CB C 31.420 0.3 1 343 33 33 TRP CD1 C 127.383 0.3 1 344 33 33 TRP CH2 C 123.931 0.3 1 345 33 33 TRP CZ2 C 114.993 0.3 1 346 33 33 TRP N N 123.280 0.3 1 347 33 33 TRP NE1 N 130.306 0.3 1 348 34 34 GLN H H 8.105 0.02 1 349 34 34 GLN HA H 4.633 0.02 1 350 34 34 GLN HB2 H 3.273 0.02 2 351 34 34 GLN HB3 H 3.335 0.02 2 352 34 34 GLN HG2 H 1.683 0.02 2 353 34 34 GLN C C 175.671 0.3 1 354 34 34 GLN CA C 57.700 0.3 1 355 34 34 GLN CB C 29.270 0.3 1 356 34 34 GLN N N 121.360 0.3 1 357 35 35 PHE H H 7.999 0.02 1 358 35 35 PHE HA H 4.584 0.02 1 359 35 35 PHE HB2 H 2.607 0.02 2 360 35 35 PHE HB3 H 2.423 0.02 2 361 35 35 PHE HD1 H 7.043 0.02 3 362 35 35 PHE HE1 H 7.000 0.02 3 363 35 35 PHE CA C 54.010 0.3 1 364 35 35 PHE CB C 40.950 0.3 1 365 35 35 PHE CD1 C 131.649 0.3 3 366 35 35 PHE N N 120.910 0.3 1 367 36 36 PRO HA H 4.695 0.02 1 368 36 36 PRO HB2 H 1.880 0.02 2 369 36 36 PRO HB3 H 2.520 0.02 2 370 36 36 PRO HG2 H 2.140 0.02 2 371 36 36 PRO C C 173.929 0.3 1 372 36 36 PRO CA C 64.740 0.3 1 373 36 36 PRO CB C 31.695 0.3 1 374 36 36 PRO CD C 50.400 0.3 1 375 36 36 PRO CG C 27.937 0.3 1 376 37 37 GLN H H 8.074 0.02 1 377 37 37 GLN HA H 5.243 0.02 1 378 37 37 GLN HB2 H 2.069 0.02 2 379 37 37 GLN HB3 H 2.109 0.02 2 380 37 37 GLN HG2 H 2.214 0.02 2 381 37 37 GLN HG3 H 2.293 0.02 2 382 37 37 GLN C C 175.209 0.3 1 383 37 37 GLN CA C 54.970 0.3 1 384 37 37 GLN CB C 33.030 0.3 1 385 37 37 GLN CD C 178.009 0.3 1 386 37 37 GLN CG C 33.820 0.3 1 387 37 37 GLN N N 119.680 0.3 1 388 38 38 GLY H H 8.652 0.02 1 389 38 38 GLY HA2 H 3.947 0.02 2 390 38 38 GLY HA3 H 4.380 0.02 2 391 38 38 GLY C C 172.067 0.3 1 392 38 38 GLY CA C 45.470 0.3 1 393 38 38 GLY N N 110.338 0.3 1 394 39 39 GLY H H 8.461 0.02 1 395 39 39 GLY HA2 H 3.806 0.02 2 396 39 39 GLY HA3 H 4.375 0.02 2 397 39 39 GLY C C 172.672 0.3 1 398 39 39 GLY CA C 45.430 0.3 1 399 39 39 GLY N N 106.300 0.3 1 400 40 40 ILE H H 7.318 0.02 1 401 40 40 ILE HA H 3.967 0.02 1 402 40 40 ILE HB H 1.510 0.02 1 403 40 40 ILE HD1 H 1.085 0.02 1 404 40 40 ILE HG12 H 0.820 0.02 1 405 40 40 ILE HG13 H 1.550 0.02 1 406 40 40 ILE HG2 H 1.038 0.02 1 407 40 40 ILE C C 175.959 0.3 1 408 40 40 ILE CA C 61.200 0.3 1 409 40 40 ILE CB C 39.720 0.3 1 410 40 40 ILE CD1 C 14.481 0.3 1 411 40 40 ILE CG1 C 28.228 0.3 1 412 40 40 ILE CG2 C 17.611 0.3 1 413 40 40 ILE N N 118.870 0.3 1 414 41 41 ASN H H 9.251 0.02 1 415 41 41 ASN HA H 5.133 0.02 1 416 41 41 ASN HB2 H 2.493 0.02 2 417 41 41 ASN HB3 H 2.812 0.02 2 418 41 41 ASN HD21 H 7.475 0.02 2 419 41 41 ASN HD22 H 7.065 0.02 2 420 41 41 ASN CA C 51.380 0.3 1 421 41 41 ASN CB C 37.010 0.3 1 422 41 41 ASN CG C 176.133 0.3 1 423 41 41 ASN N N 128.420 0.3 1 424 41 41 ASN ND2 N 111.675 0.3 1 425 42 42 PRO HA H 4.354 0.02 1 426 42 42 PRO HB2 H 1.895 0.02 2 427 42 42 PRO HB3 H 2.339 0.02 2 428 42 42 PRO HD2 H 3.613 0.02 2 429 42 42 PRO HD3 H 3.900 0.02 2 430 42 42 PRO HG2 H 2.063 0.02 2 431 42 42 PRO HG3 H 2.202 0.02 2 432 42 42 PRO C C 177.879 0.3 1 433 42 42 PRO CA C 64.790 0.3 1 434 42 42 PRO CB C 31.410 0.3 1 435 42 42 PRO CD C 50.548 0.3 1 436 42 42 PRO CG C 28.044 0.3 1 437 43 43 GLY H H 8.729 0.02 1 438 43 43 GLY HA2 H 3.712 0.02 2 439 43 43 GLY HA3 H 4.210 0.02 2 440 43 43 GLY C C 174.022 0.3 1 441 43 43 GLY CA C 45.530 0.3 1 442 43 43 GLY N N 113.230 0.3 1 443 44 44 GLU H H 7.847 0.02 1 444 44 44 GLU HA H 4.652 0.02 1 445 44 44 GLU HB2 H 2.246 0.02 2 446 44 44 GLU HG2 H 2.218 0.02 2 447 44 44 GLU HG3 H 2.299 0.02 2 448 44 44 GLU C C 177.061 0.3 1 449 44 44 GLU CA C 55.650 0.3 1 450 44 44 GLU CB C 32.220 0.3 1 451 44 44 GLU CG C 37.241 0.3 1 452 44 44 GLU N N 120.300 0.3 1 453 45 45 SER H H 8.561 0.02 1 454 45 45 SER HA H 4.726 0.02 1 455 45 45 SER HB2 H 4.096 0.02 2 456 45 45 SER HB3 H 4.489 0.02 2 457 45 45 SER C C 175.124 0.3 1 458 45 45 SER CA C 56.720 0.3 1 459 45 45 SER CB C 65.640 0.3 1 460 45 45 SER N N 117.700 0.3 1 461 46 46 ALA H H 9.154 0.02 1 462 46 46 ALA HA H 4.029 0.02 1 463 46 46 ALA HB H 1.565 0.02 1 464 46 46 ALA C C 178.483 0.3 1 465 46 46 ALA CA C 56.150 0.3 1 466 46 46 ALA CB C 17.630 0.3 1 467 46 46 ALA N N 123.320 0.3 1 468 47 47 GLU H H 8.605 0.02 1 469 47 47 GLU HA H 3.296 0.02 1 470 47 47 GLU HB2 H 1.871 0.02 2 471 47 47 GLU HB3 H 2.187 0.02 2 472 47 47 GLU HG2 H 1.973 0.02 2 473 47 47 GLU HG3 H 2.225 0.02 2 474 47 47 GLU C C 177.559 0.3 1 475 47 47 GLU CA C 60.290 0.3 1 476 47 47 GLU CB C 30.080 0.3 1 477 47 47 GLU CG C 37.611 0.3 1 478 47 47 GLU N N 116.800 0.3 1 479 48 48 GLN H H 7.787 0.02 1 480 48 48 GLN HA H 4.091 0.02 1 481 48 48 GLN HB2 H 2.147 0.02 2 482 48 48 GLN HB3 H 2.388 0.02 2 483 48 48 GLN HE21 H 7.566 0.02 2 484 48 48 GLN HE22 H 6.910 0.02 2 485 48 48 GLN HG2 H 2.530 0.02 2 486 48 48 GLN C C 179.729 0.3 1 487 48 48 GLN CA C 59.320 0.3 1 488 48 48 GLN CB C 28.540 0.3 1 489 48 48 GLN CD C 180.237 0.3 1 490 48 48 GLN CG C 34.376 0.3 1 491 48 48 GLN N N 118.100 0.3 1 492 48 48 GLN NE2 N 111.500 0.3 1 493 49 49 ALA H H 8.398 0.02 1 494 49 49 ALA HA H 4.113 0.02 1 495 49 49 ALA HB H 1.554 0.02 1 496 49 49 ALA C C 175.892 0.3 1 497 49 49 ALA CA C 55.330 0.3 1 498 49 49 ALA CB C 20.270 0.3 1 499 49 49 ALA N N 122.880 0.3 1 500 50 50 MET H H 8.212 0.02 1 501 50 50 MET HA H 3.394 0.02 1 502 50 50 MET HB2 H 1.247 0.02 2 503 50 50 MET HB3 H 1.623 0.02 2 504 50 50 MET HE H 0.547 0.02 1 505 50 50 MET HG2 H 1.545 0.02 2 506 50 50 MET HG3 H 1.638 0.02 2 507 50 50 MET C C 177.594 0.3 1 508 50 50 MET CA C 60.310 0.3 1 509 50 50 MET CB C 28.300 0.3 1 510 50 50 MET CE C 14.958 0.3 1 511 50 50 MET CG C 31.041 0.3 1 512 50 50 MET N N 119.120 0.3 1 513 51 51 TYR H H 8.015 0.02 1 514 51 51 TYR HA H 4.129 0.02 1 515 51 51 TYR HB2 H 2.724 0.02 2 516 51 51 TYR HB3 H 2.980 0.02 2 517 51 51 TYR HD1 H 7.081 0.02 3 518 51 51 TYR HE1 H 6.508 0.02 3 519 51 51 TYR C C 179.799 0.3 1 520 51 51 TYR CA C 62.820 0.3 1 521 51 51 TYR CB C 37.760 0.3 1 522 51 51 TYR CD1 C 133.470 0.3 3 523 51 51 TYR CE1 C 117.612 0.3 3 524 51 51 TYR N N 117.200 0.3 1 525 52 52 ARG H H 8.181 0.02 1 526 52 52 ARG HA H 4.298 0.02 1 527 52 52 ARG HB2 H 2.076 0.02 2 528 52 52 ARG HB3 H 1.798 0.02 2 529 52 52 ARG HD2 H 3.450 0.02 2 530 52 52 ARG HD3 H 3.043 0.02 2 531 52 52 ARG HE H 9.726 0.02 1 532 52 52 ARG HG2 H 1.634 0.02 2 533 52 52 ARG HG3 H 1.815 0.02 2 534 52 52 ARG C C 178.288 0.3 1 535 52 52 ARG CA C 60.280 0.3 1 536 52 52 ARG CB C 29.080 0.3 1 537 52 52 ARG CD C 42.074 0.3 1 538 52 52 ARG CG C 25.610 0.3 1 539 52 52 ARG N N 123.330 0.3 1 540 52 52 ARG NE N 106.900 0.3 1 541 53 53 GLU H H 8.621 0.02 1 542 53 53 GLU HA H 4.190 0.02 1 543 53 53 GLU HB2 H 1.809 0.02 2 544 53 53 GLU HG2 H 2.033 0.02 2 545 53 53 GLU C C 178.164 0.3 1 546 53 53 GLU CA C 58.460 0.3 1 547 53 53 GLU CB C 27.410 0.3 1 548 53 53 GLU CG C 32.477 0.3 1 549 53 53 GLU N N 119.680 0.3 1 550 54 54 LEU H H 8.974 0.02 1 551 54 54 LEU HA H 3.707 0.02 1 552 54 54 LEU HB2 H 1.569 0.02 2 553 54 54 LEU HB3 H 2.014 0.02 2 554 54 54 LEU HD1 H 0.745 0.02 2 555 54 54 LEU HD2 H 0.714 0.02 2 556 54 54 LEU HG H 1.632 0.02 1 557 54 54 LEU C C 178.999 0.3 1 558 54 54 LEU CA C 58.190 0.3 1 559 54 54 LEU CB C 42.680 0.3 1 560 54 54 LEU CD1 C 26.414 0.3 1 561 54 54 LEU CD2 C 24.529 0.3 1 562 54 54 LEU CG C 25.858 0.3 1 563 54 54 LEU N N 120.291 0.3 1 564 55 55 PHE H H 7.769 0.02 1 565 55 55 PHE HA H 4.382 0.02 1 566 55 55 PHE HB2 H 3.148 0.02 2 567 55 55 PHE HB3 H 3.433 0.02 2 568 55 55 PHE HD1 H 7.074 0.02 3 569 55 55 PHE HE1 H 7.290 0.02 3 570 55 55 PHE C C 178.239 0.3 1 571 55 55 PHE CA C 62.245 0.3 1 572 55 55 PHE CB C 39.310 0.3 1 573 55 55 PHE CD1 C 131.649 0.3 3 574 55 55 PHE N N 119.010 0.3 1 575 56 56 GLU H H 8.715 0.02 1 576 56 56 GLU HA H 3.767 0.02 1 577 56 56 GLU HB2 H 2.020 0.02 2 578 56 56 GLU HB3 H 2.104 0.02 2 579 56 56 GLU HG2 H 2.430 0.02 2 580 56 56 GLU HG3 H 2.682 0.02 2 581 56 56 GLU C C 178.417 0.3 1 582 56 56 GLU CA C 59.580 0.3 1 583 56 56 GLU CB C 30.120 0.3 1 584 56 56 GLU CG C 36.476 0.3 1 585 56 56 GLU N N 117.170 0.3 1 586 57 57 GLU H H 8.702 0.02 1 587 57 57 GLU HA H 4.694 0.02 1 588 57 57 GLU HB2 H 2.200 0.02 2 589 57 57 GLU HB3 H 2.273 0.02 2 590 57 57 GLU HG2 H 2.897 0.02 2 591 57 57 GLU HG3 H 2.328 0.02 2 592 57 57 GLU C C 177.369 0.3 1 593 57 57 GLU CA C 57.200 0.3 1 594 57 57 GLU CB C 29.835 0.3 1 595 57 57 GLU CG C 34.080 0.3 1 596 57 57 GLU N N 111.570 0.3 1 597 58 58 VAL H H 7.269 0.02 1 598 58 58 VAL HA H 4.436 0.02 1 599 58 58 VAL HB H 2.294 0.02 1 600 58 58 VAL HG1 H 0.784 0.02 2 601 58 58 VAL HG2 H 0.821 0.02 2 602 58 58 VAL C C 174.952 0.3 1 603 58 58 VAL CA C 60.640 0.3 1 604 58 58 VAL CB C 33.550 0.3 1 605 58 58 VAL CG1 C 21.501 0.3 1 606 58 58 VAL CG2 C 23.619 0.3 1 607 58 58 VAL N N 112.110 0.3 1 608 59 59 GLY H H 7.531 0.02 1 609 59 59 GLY HA2 H 3.591 0.02 2 610 59 59 GLY HA3 H 4.087 0.02 2 611 59 59 GLY C C 173.868 0.3 1 612 59 59 GLY CA C 46.830 0.3 1 613 59 59 GLY N N 108.740 0.3 1 614 60 60 LEU H H 6.690 0.02 1 615 60 60 LEU HA H 4.678 0.02 1 616 60 60 LEU HB2 H 1.352 0.02 2 617 60 60 LEU HB3 H 1.434 0.02 2 618 60 60 LEU HD1 H 0.592 0.02 2 619 60 60 LEU HD2 H 0.620 0.02 2 620 60 60 LEU HG H 1.475 0.02 1 621 60 60 LEU C C 175.627 0.3 1 622 60 60 LEU CA C 53.740 0.3 1 623 60 60 LEU CB C 43.920 0.3 1 624 60 60 LEU CD1 C 26.415 0.3 1 625 60 60 LEU CD2 C 22.047 0.3 1 626 60 60 LEU CG C 26.149 0.3 1 627 60 60 LEU N N 118.280 0.3 1 628 61 61 SER H H 9.464 0.02 1 629 61 61 SER HA H 4.815 0.02 1 630 61 61 SER HB2 H 3.929 0.02 2 631 61 61 SER HB3 H 4.013 0.02 2 632 61 61 SER C C 174.952 0.3 1 633 61 61 SER CA C 57.380 0.3 1 634 61 61 SER CB C 66.230 0.3 1 635 61 61 SER N N 117.447 0.3 1 636 62 62 ARG H H 8.322 0.02 1 637 62 62 ARG HA H 3.834 0.02 1 638 62 62 ARG HB2 H 1.416 0.02 2 639 62 62 ARG HB3 H 1.462 0.02 2 640 62 62 ARG HD2 H 2.735 0.02 2 641 62 62 ARG HE H 6.838 0.02 1 642 62 62 ARG HG2 H 0.893 0.02 2 643 62 62 ARG HG3 H 1.251 0.02 2 644 62 62 ARG C C 178.062 0.3 1 645 62 62 ARG CA C 60.060 0.3 1 646 62 62 ARG CB C 29.830 0.3 1 647 62 62 ARG CD C 43.169 0.3 1 648 62 62 ARG CG C 27.094 0.3 1 649 62 62 ARG N N 120.740 0.3 1 650 62 62 ARG NE N 110.552 0.3 1 651 63 63 LYS H H 7.826 0.02 1 652 63 63 LYS HA H 4.235 0.02 1 653 63 63 LYS HB2 H 1.799 0.02 2 654 63 63 LYS HB3 H 1.833 0.02 2 655 63 63 LYS HD2 H 1.633 0.02 2 656 63 63 LYS HD3 H 1.571 0.02 2 657 63 63 LYS HE2 H 3.011 0.02 2 658 63 63 LYS HG2 H 1.272 0.02 2 659 63 63 LYS HG3 H 1.300 0.02 2 660 63 63 LYS C C 177.226 0.3 1 661 63 63 LYS CA C 57.460 0.3 1 662 63 63 LYS CB C 31.430 0.3 1 663 63 63 LYS CD C 29.309 0.3 1 664 63 63 LYS CE C 42.358 0.3 1 665 63 63 LYS CG C 23.998 0.3 1 666 63 63 LYS N N 112.570 0.3 1 667 64 64 ASP H H 7.908 0.02 1 668 64 64 ASP HA H 4.730 0.02 1 669 64 64 ASP HB2 H 2.931 0.02 2 670 64 64 ASP C C 176.053 0.3 1 671 64 64 ASP CA C 56.270 0.3 1 672 64 64 ASP CB C 44.446 0.3 1 673 64 64 ASP N N 117.090 0.3 1 674 65 65 VAL H H 7.472 0.02 1 675 65 65 VAL HA H 5.753 0.02 1 676 65 65 VAL HB H 1.998 0.02 1 677 65 65 VAL HG1 H 0.886 0.02 2 678 65 65 VAL HG2 H 0.842 0.02 2 679 65 65 VAL C C 174.312 0.3 1 680 65 65 VAL CA C 58.260 0.3 1 681 65 65 VAL CB C 37.800 0.3 1 682 65 65 VAL CG1 C 17.084 0.3 1 683 65 65 VAL CG2 C 21.865 0.3 1 684 65 65 VAL N N 108.530 0.3 1 685 66 66 ARG H H 8.447 0.02 1 686 66 66 ARG HA H 4.825 0.02 1 687 66 66 ARG HB2 H 1.666 0.02 2 688 66 66 ARG HB3 H 1.719 0.02 2 689 66 66 ARG HD2 H 3.164 0.02 2 690 66 66 ARG HE H 7.062 0.02 1 691 66 66 ARG HG2 H 1.464 0.02 2 692 66 66 ARG HG3 H 1.548 0.02 2 693 66 66 ARG HH21 H 6.662 0.02 1 694 66 66 ARG C C 175.822 0.3 1 695 66 66 ARG CA C 54.220 0.3 1 696 66 66 ARG CB C 33.850 0.3 1 697 66 66 ARG CD C 43.640 0.3 1 698 66 66 ARG CG C 27.308 0.3 1 699 66 66 ARG N N 117.790 0.3 1 700 66 66 ARG NE N 110.338 0.3 1 701 67 67 ILE H H 9.091 0.02 1 702 67 67 ILE HA H 4.109 0.02 1 703 67 67 ILE HB H 1.851 0.02 1 704 67 67 ILE HD1 H 0.801 0.02 1 705 67 67 ILE HG12 H 0.689 0.02 1 706 67 67 ILE HG13 H 1.657 0.02 1 707 67 67 ILE HG2 H 0.951 0.02 1 708 67 67 ILE C C 176.373 0.3 1 709 67 67 ILE CA C 63.000 0.3 1 710 67 67 ILE CB C 38.070 0.3 1 711 67 67 ILE CD1 C 13.894 0.3 1 712 67 67 ILE CG1 C 27.667 0.3 1 713 67 67 ILE CG2 C 17.612 0.3 1 714 67 67 ILE N N 124.450 0.3 1 715 68 68 LEU H H 9.333 0.02 1 716 68 68 LEU HA H 4.456 0.02 1 717 68 68 LEU HB2 H 1.280 0.02 2 718 68 68 LEU HB3 H 1.393 0.02 2 719 68 68 LEU HD1 H 0.979 0.02 2 720 68 68 LEU HD2 H 0.731 0.02 2 721 68 68 LEU HG H 0.645 0.02 1 722 68 68 LEU C C 177.084 0.3 1 723 68 68 LEU CA C 55.250 0.3 1 724 68 68 LEU CB C 43.650 0.3 1 725 68 68 LEU CD1 C 24.780 0.3 1 726 68 68 LEU CD2 C 21.598 0.3 1 727 68 68 LEU CG C 26.115 0.3 1 728 68 68 LEU N N 128.300 0.3 1 729 69 69 ALA H H 7.872 0.02 1 730 69 69 ALA HA H 4.610 0.02 1 731 69 69 ALA HB H 1.365 0.02 1 732 69 69 ALA C C 174.454 0.3 1 733 69 69 ALA CA C 51.880 0.3 1 734 69 69 ALA CB C 22.140 0.3 1 735 69 69 ALA N N 117.750 0.3 1 736 70 70 SER H H 8.279 0.02 1 737 70 70 SER HA H 5.215 0.02 1 738 70 70 SER HB2 H 3.064 0.02 2 739 70 70 SER HB3 H 3.454 0.02 2 740 70 70 SER C C 174.703 0.3 1 741 70 70 SER CA C 56.930 0.3 1 742 70 70 SER CB C 65.980 0.3 1 743 70 70 SER N N 110.780 0.3 1 744 71 71 THR H H 8.678 0.02 1 745 71 71 THR HA H 4.314 0.02 1 746 71 71 THR HB H 4.550 0.02 1 747 71 71 THR HG2 H 1.091 0.02 1 748 71 71 THR C C 175.795 0.3 1 749 71 71 THR CA C 60.910 0.3 1 750 71 71 THR CB C 69.940 0.3 1 751 71 71 THR CG2 C 23.307 0.3 1 752 71 71 THR N N 112.820 0.3 1 753 72 72 ARG H H 9.226 0.02 1 754 72 72 ARG HA H 3.992 0.02 1 755 72 72 ARG HB2 H 1.840 0.02 2 756 72 72 ARG HD2 H 3.238 0.02 2 757 72 72 ARG HE H 7.015 0.02 1 758 72 72 ARG HG2 H 1.683 0.02 2 759 72 72 ARG HG3 H 1.740 0.02 2 760 72 72 ARG C C 176.843 0.3 1 761 72 72 ARG CA C 58.230 0.3 1 762 72 72 ARG CB C 30.470 0.3 1 763 72 72 ARG CD C 43.375 0.3 1 764 72 72 ARG CG C 27.238 0.3 1 765 72 72 ARG N N 125.350 0.3 1 766 72 72 ARG NE N 110.338 0.3 1 767 73 73 ASN H H 8.419 0.02 1 768 73 73 ASN HA H 4.937 0.02 1 769 73 73 ASN HB2 H 2.675 0.02 2 770 73 73 ASN HB3 H 2.947 0.02 2 771 73 73 ASN HD21 H 7.655 0.02 2 772 73 73 ASN HD22 H 7.023 0.02 2 773 73 73 ASN C C 174.569 0.3 1 774 73 73 ASN CA C 51.350 0.3 1 775 73 73 ASN CB C 40.840 0.3 1 776 73 73 ASN CG C 177.234 0.3 1 777 73 73 ASN N N 115.820 0.3 1 778 73 73 ASN ND2 N 113.573 0.3 1 779 74 74 TRP H H 8.399 0.02 1 780 74 74 TRP HA H 4.531 0.02 1 781 74 74 TRP HB2 H 2.866 0.02 2 782 74 74 TRP HB3 H 2.949 0.02 2 783 74 74 TRP HD1 H 7.471 0.02 1 784 74 74 TRP HE1 H 10.358 0.02 1 785 74 74 TRP HH2 H 7.143 0.02 1 786 74 74 TRP HZ2 H 7.604 0.02 1 787 74 74 TRP C C 176.506 0.3 1 788 74 74 TRP CA C 57.210 0.3 1 789 74 74 TRP CB C 29.760 0.3 1 790 74 74 TRP CD1 C 128.302 0.3 1 791 74 74 TRP CH2 C 124.450 0.3 1 792 74 74 TRP CZ2 C 114.953 0.3 1 793 74 74 TRP N N 119.590 0.3 1 794 74 74 TRP NE1 N 130.487 0.3 1 795 75 75 LEU H H 9.397 0.02 1 796 75 75 LEU HA H 4.709 0.02 1 797 75 75 LEU HB2 H 1.798 0.02 2 798 75 75 LEU HB3 H 1.988 0.02 2 799 75 75 LEU HD1 H 1.016 0.02 2 800 75 75 LEU HD2 H 0.970 0.02 2 801 75 75 LEU HG H 1.902 0.02 1 802 75 75 LEU C C 176.772 0.3 1 803 75 75 LEU CA C 55.060 0.3 1 804 75 75 LEU CB C 43.380 0.3 1 805 75 75 LEU CD1 C 26.116 0.3 1 806 75 75 LEU CD2 C 25.050 0.3 1 807 75 75 LEU CG C 28.540 0.3 1 808 75 75 LEU N N 126.030 0.3 1 809 76 76 ARG H H 8.738 0.02 1 810 76 76 ARG HA H 5.269 0.02 1 811 76 76 ARG HB2 H 1.462 0.02 2 812 76 76 ARG HB3 H 1.608 0.02 2 813 76 76 ARG HD2 H 2.272 0.02 2 814 76 76 ARG HD3 H 2.704 0.02 2 815 76 76 ARG HG2 H 0.930 0.02 2 816 76 76 ARG HG3 H 1.397 0.02 2 817 76 76 ARG C C 175.599 0.3 1 818 76 76 ARG CA C 55.570 0.3 1 819 76 76 ARG CB C 32.890 0.3 1 820 76 76 ARG CD C 42.653 0.3 1 821 76 76 ARG CG C 28.242 0.3 1 822 76 76 ARG N N 122.190 0.3 1 823 77 77 TYR H H 8.768 0.02 1 824 77 77 TYR HA H 5.026 0.02 1 825 77 77 TYR HB2 H 3.147 0.02 2 826 77 77 TYR HB3 H 3.190 0.02 2 827 77 77 TYR HD1 H 7.053 0.02 3 828 77 77 TYR HD2 H 6.550 0.02 3 829 77 77 TYR HE1 H 6.846 0.02 3 830 77 77 TYR C C 173.911 0.3 1 831 77 77 TYR CA C 56.770 0.3 1 832 77 77 TYR CB C 40.980 0.3 1 833 77 77 TYR CD1 C 133.481 0.3 3 834 77 77 TYR CD2 C 118.039 0.3 3 835 77 77 TYR CE1 C 118.040 0.3 3 836 77 77 TYR N N 119.320 0.3 1 837 78 78 LYS H H 8.801 0.02 1 838 78 78 LYS HA H 4.649 0.02 1 839 78 78 LYS HB2 H 1.762 0.02 2 840 78 78 LYS HB3 H 1.948 0.02 2 841 78 78 LYS HD2 H 1.765 0.02 2 842 78 78 LYS HE2 H 3.022 0.02 2 843 78 78 LYS HG2 H 1.465 0.02 2 844 78 78 LYS HG3 H 1.657 0.02 2 845 78 78 LYS C C 176.790 0.3 1 846 78 78 LYS CA C 56.130 0.3 1 847 78 78 LYS CB C 33.820 0.3 1 848 78 78 LYS CD C 29.568 0.3 1 849 78 78 LYS CE C 42.143 0.3 1 850 78 78 LYS CG C 25.862 0.3 1 851 78 78 LYS N N 123.830 0.3 1 852 79 79 LEU H H 8.199 0.02 1 853 79 79 LEU HA H 4.209 0.02 1 854 79 79 LEU HB2 H 1.163 0.02 2 855 79 79 LEU HB3 H 1.231 0.02 2 856 79 79 LEU HD1 H 0.713 0.02 2 857 79 79 LEU HD2 H 0.874 0.02 2 858 79 79 LEU HG H 1.338 0.02 1 859 79 79 LEU CA C 53.200 0.3 1 860 79 79 LEU CB C 41.790 0.3 1 861 79 79 LEU CD1 C 25.382 0.3 1 862 79 79 LEU CD2 C 23.459 0.3 1 863 79 79 LEU CG C 27.978 0.3 1 864 79 79 LEU N N 124.030 0.3 1 865 80 80 PRO HA H 4.447 0.02 1 866 80 80 PRO HB2 H 1.731 0.02 2 867 80 80 PRO HB3 H 2.410 0.02 2 868 80 80 PRO HD2 H 3.121 0.02 2 869 80 80 PRO HD3 H 3.320 0.02 2 870 80 80 PRO HG2 H 1.795 0.02 2 871 80 80 PRO HG3 H 1.917 0.02 2 872 80 80 PRO C C 177.430 0.3 1 873 80 80 PRO CA C 62.777 0.3 1 874 80 80 PRO CB C 32.226 0.3 1 875 80 80 PRO CD C 50.291 0.3 1 876 80 80 PRO CG C 27.710 0.3 1 877 81 81 LYS H H 8.572 0.02 1 878 81 81 LYS HA H 4.013 0.02 1 879 81 81 LYS HB2 H 1.976 0.02 2 880 81 81 LYS HB3 H 2.011 0.02 2 881 81 81 LYS HD2 H 1.787 0.02 2 882 81 81 LYS HE2 H 3.041 0.02 2 883 81 81 LYS HG2 H 1.618 0.02 2 884 81 81 LYS HG3 H 1.709 0.02 2 885 81 81 LYS C C 179.118 0.3 1 886 81 81 LYS CA C 60.380 0.3 1 887 81 81 LYS CB C 32.650 0.3 1 888 81 81 LYS CD C 29.601 0.3 1 889 81 81 LYS CE C 42.099 0.3 1 890 81 81 LYS CG C 25.585 0.3 1 891 81 81 LYS N N 124.010 0.3 1 892 82 82 ARG H H 8.510 0.02 1 893 82 82 ARG HA H 4.361 0.02 1 894 82 82 ARG HB2 H 1.833 0.02 2 895 82 82 ARG HB3 H 1.977 0.02 2 896 82 82 ARG HD2 H 3.246 0.02 2 897 82 82 ARG HE H 7.386 0.02 1 898 82 82 ARG HG2 H 1.553 0.02 2 899 82 82 ARG HG3 H 1.620 0.02 2 900 82 82 ARG C C 176.595 0.3 1 901 82 82 ARG CA C 57.990 0.3 1 902 82 82 ARG CB C 29.570 0.3 1 903 82 82 ARG CD C 43.146 0.3 1 904 82 82 ARG CG C 27.178 0.3 1 905 82 82 ARG N N 114.770 0.3 1 906 82 82 ARG NE N 110.744 0.3 1 907 83 83 LEU H H 7.970 0.02 1 908 83 83 LEU HA H 4.456 0.02 1 909 83 83 LEU HB2 H 1.566 0.02 2 910 83 83 LEU HB3 H 1.704 0.02 2 911 83 83 LEU HD1 H 0.865 0.02 2 912 83 83 LEU HD2 H 0.865 0.02 2 913 83 83 LEU HG H 1.473 0.02 1 914 83 83 LEU C C 176.417 0.3 1 915 83 83 LEU CA C 54.276 0.3 1 916 83 83 LEU CB C 43.090 0.3 1 917 83 83 LEU CD1 C 25.423 0.3 1 918 83 83 LEU CD2 C 22.680 0.3 1 919 83 83 LEU CG C 27.437 0.3 1 920 83 83 LEU N N 118.390 0.3 1 921 84 84 VAL H H 7.095 0.02 1 922 84 84 VAL HA H 3.520 0.02 1 923 84 84 VAL HB H 1.611 0.02 1 924 84 84 VAL HG1 H -0.379 0.02 2 925 84 84 VAL HG2 H 0.825 0.02 2 926 84 84 VAL C C 175.653 0.3 1 927 84 84 VAL CA C 63.570 0.3 1 928 84 84 VAL CB C 32.570 0.3 1 929 84 84 VAL CG1 C 20.007 0.3 1 930 84 84 VAL CG2 C 23.192 0.3 1 931 84 84 VAL N N 121.980 0.3 1 932 85 85 ARG H H 8.386 0.02 1 933 85 85 ARG HA H 4.551 0.02 1 934 85 85 ARG HB2 H 1.746 0.02 2 935 85 85 ARG HB3 H 1.914 0.02 2 936 85 85 ARG HD2 H 3.189 0.02 2 937 85 85 ARG HE H 7.857 0.02 1 938 85 85 ARG HG2 H 1.552 0.02 2 939 85 85 ARG HG3 H 1.700 0.02 2 940 85 85 ARG HH21 H 6.737 0.02 1 941 85 85 ARG C C 175.937 0.3 1 942 85 85 ARG CA C 53.700 0.3 1 943 85 85 ARG CB C 29.304 0.3 1 944 85 85 ARG CD C 42.852 0.3 1 945 85 85 ARG CG C 26.381 0.3 1 946 85 85 ARG N N 126.994 0.3 1 947 85 85 ARG NE N 110.958 0.3 1 948 86 86 TRP H H 8.081 0.02 1 949 86 86 TRP HA H 4.382 0.02 1 950 86 86 TRP HB2 H 3.001 0.02 2 951 86 86 TRP HB3 H 3.517 0.02 2 952 86 86 TRP HD1 H 7.340 0.02 1 953 86 86 TRP HE1 H 9.970 0.02 1 954 86 86 TRP HE3 H 7.688 0.02 1 955 86 86 TRP HH2 H 7.101 0.02 1 956 86 86 TRP HZ2 H 7.395 0.02 1 957 86 86 TRP HZ3 H 7.146 0.02 1 958 86 86 TRP C C 175.724 0.3 1 959 86 86 TRP CA C 58.570 0.3 1 960 86 86 TRP CB C 29.304 0.3 1 961 86 86 TRP CD1 C 128.193 0.3 1 962 86 86 TRP CE3 C 121.300 0.3 1 963 86 86 TRP CZ2 C 114.597 0.3 1 964 86 86 TRP CZ3 C 121.490 0.3 1 965 86 86 TRP N N 124.150 0.3 1 966 86 86 TRP NE1 N 129.007 0.3 1 967 87 87 ASP H H 8.793 0.02 1 968 87 87 ASP HA H 4.604 0.02 1 969 87 87 ASP HB2 H 2.600 0.02 2 970 87 87 ASP HB3 H 2.832 0.02 2 971 87 87 ASP C C 175.777 0.3 1 972 87 87 ASP CA C 54.010 0.3 1 973 87 87 ASP CB C 39.930 0.3 1 974 87 87 ASP N N 115.820 0.3 1 975 88 88 THR H H 7.212 0.02 1 976 88 88 THR HA H 4.403 0.02 1 977 88 88 THR HB H 4.062 0.02 1 978 88 88 THR HG2 H 1.084 0.02 1 979 88 88 THR C C 172.099 0.3 1 980 88 88 THR CA C 60.917 0.3 1 981 88 88 THR CB C 70.746 0.3 1 982 88 88 THR CG2 C 20.803 0.3 1 983 88 88 THR N N 113.180 0.3 1 984 89 89 LYS H H 8.150 0.02 1 985 89 89 LYS HA H 4.521 0.02 1 986 89 89 LYS HB2 H 1.674 0.02 2 987 89 89 LYS HB3 H 1.719 0.02 2 988 89 89 LYS HD2 H 1.661 0.02 2 989 89 89 LYS HE2 H 3.006 0.02 2 990 89 89 LYS HG2 H 1.333 0.02 2 991 89 89 LYS HG3 H 1.426 0.02 2 992 89 89 LYS CA C 53.240 0.3 1 993 89 89 LYS CB C 34.080 0.3 1 994 89 89 LYS CD C 29.038 0.3 1 995 89 89 LYS CE C 42.299 0.3 1 996 89 89 LYS CG C 24.788 0.3 1 997 89 89 LYS N N 121.350 0.3 1 998 90 90 PRO HA H 4.656 0.02 1 999 90 90 PRO HB2 H 1.925 0.02 2 1000 90 90 PRO HB3 H 2.389 0.02 2 1001 90 90 PRO HD2 H 3.508 0.02 2 1002 90 90 PRO HG2 H 1.794 0.02 2 1003 90 90 PRO HG3 H 1.915 0.02 2 1004 90 90 PRO C C 175.848 0.3 1 1005 90 90 PRO CA C 62.777 0.3 1 1006 90 90 PRO CB C 34.351 0.3 1 1007 90 90 PRO CD C 50.291 0.3 1 1008 90 90 PRO CG C 25.053 0.3 1 1009 91 91 VAL H H 8.349 0.02 1 1010 91 91 VAL HA H 3.760 0.02 1 1011 91 91 VAL HB H 1.767 0.02 1 1012 91 91 VAL HG1 H 0.363 0.02 2 1013 91 91 VAL HG2 H 1.010 0.02 2 1014 91 91 VAL C C 175.475 0.3 1 1015 91 91 VAL CA C 63.042 0.3 1 1016 91 91 VAL CB C 32.492 0.3 1 1017 91 91 VAL CG1 C 20.847 0.3 1 1018 91 91 VAL CG2 C 22.131 0.3 1 1019 91 91 VAL N N 122.690 0.3 1 1020 92 92 CYS H H 8.358 0.02 1 1021 92 92 CYS HA H 4.751 0.02 1 1022 92 92 CYS HB2 H 2.642 0.02 2 1023 92 92 CYS HB3 H 2.725 0.02 2 1024 92 92 CYS C C 174.498 0.3 1 1025 92 92 CYS CA C 57.430 0.3 1 1026 92 92 CYS CB C 27.180 0.3 1 1027 92 92 CYS N N 126.791 0.3 1 1028 93 93 ILE H H 8.755 0.02 1 1029 93 93 ILE HA H 4.318 0.02 1 1030 93 93 ILE HB H 1.830 0.02 1 1031 93 93 ILE HD1 H 0.596 0.02 1 1032 93 93 ILE HG12 H 0.576 0.02 1 1033 93 93 ILE HG13 H 0.780 0.02 1 1034 93 93 ILE HG2 H 0.670 0.02 1 1035 93 93 ILE C C 176.595 0.3 1 1036 93 93 ILE CA C 60.280 0.3 1 1037 93 93 ILE CB C 39.380 0.3 1 1038 93 93 ILE CD1 C 14.161 0.3 1 1039 93 93 ILE CG1 C 26.111 0.3 1 1040 93 93 ILE CG2 C 18.943 0.3 1 1041 93 93 ILE N N 120.710 0.3 1 1042 94 94 GLY H H 7.697 0.02 1 1043 94 94 GLY HA2 H 3.980 0.02 2 1044 94 94 GLY HA3 H 4.222 0.02 2 1045 94 94 GLY C C 171.228 0.3 1 1046 94 94 GLY CA C 46.040 0.3 1 1047 94 94 GLY N N 109.110 0.3 1 1048 95 95 GLN H H 8.585 0.02 1 1049 95 95 GLN HA H 5.353 0.02 1 1050 95 95 GLN HB2 H 1.672 0.02 2 1051 95 95 GLN HB3 H 2.020 0.02 2 1052 95 95 GLN HE21 H 7.213 0.02 2 1053 95 95 GLN HE22 H 6.658 0.02 2 1054 95 95 GLN HG2 H 2.266 0.02 2 1055 95 95 GLN HG3 H 2.357 0.02 2 1056 95 95 GLN C C 174.036 0.3 1 1057 95 95 GLN CA C 54.270 0.3 1 1058 95 95 GLN CB C 32.490 0.3 1 1059 95 95 GLN CD C 178.713 0.3 1 1060 95 95 GLN CG C 33.555 0.3 1 1061 95 95 GLN N N 116.800 0.3 1 1062 95 95 GLN NE2 N 109.436 0.3 1 1063 96 96 LYS H H 8.668 0.02 1 1064 96 96 LYS HA H 5.606 0.02 1 1065 96 96 LYS HB2 H 1.260 0.02 2 1066 96 96 LYS HB3 H 1.481 0.02 2 1067 96 96 LYS HD2 H 0.911 0.02 2 1068 96 96 LYS HE2 H 2.097 0.02 2 1069 96 96 LYS HG2 H 0.787 0.02 2 1070 96 96 LYS HG3 H 0.836 0.02 2 1071 96 96 LYS C C 175.013 0.3 1 1072 96 96 LYS CA C 53.478 0.3 1 1073 96 96 LYS CB C 35.920 0.3 1 1074 96 96 LYS CD C 29.630 0.3 1 1075 96 96 LYS CE C 41.439 0.3 1 1076 96 96 LYS CG C 24.255 0.3 1 1077 96 96 LYS N N 121.306 0.3 1 1078 97 97 GLN H H 9.889 0.02 1 1079 97 97 GLN HA H 5.891 0.02 1 1080 97 97 GLN HB2 H 1.908 0.02 2 1081 97 97 GLN HB3 H 2.269 0.02 2 1082 97 97 GLN HE21 H 7.190 0.02 2 1083 97 97 GLN HE22 H 6.359 0.02 2 1084 97 97 GLN HG2 H 2.243 0.02 2 1085 97 97 GLN HG3 H 2.110 0.02 2 1086 97 97 GLN C C 175.475 0.3 1 1087 97 97 GLN CA C 54.430 0.3 1 1088 97 97 GLN CB C 33.590 0.3 1 1089 97 97 GLN CD C 177.951 0.3 1 1090 97 97 GLN CG C 33.675 0.3 1 1091 97 97 GLN N N 122.220 0.3 1 1092 97 97 GLN NE2 N 108.128 0.3 1 1093 98 98 LYS H H 8.154 0.02 1 1094 98 98 LYS HA H 4.266 0.02 1 1095 98 98 LYS HB2 H 0.237 0.02 2 1096 98 98 LYS HB3 H 1.144 0.02 2 1097 98 98 LYS HD2 H 0.747 0.02 2 1098 98 98 LYS HD3 H 0.913 0.02 2 1099 98 98 LYS HE2 H 1.776 0.02 2 1100 98 98 LYS HE3 H 1.979 0.02 2 1101 98 98 LYS HG2 H 0.523 0.02 2 1102 98 98 LYS HG3 H 0.588 0.02 2 1103 98 98 LYS C C 174.267 0.3 1 1104 98 98 LYS CA C 54.800 0.3 1 1105 98 98 LYS CB C 34.080 0.3 1 1106 98 98 LYS CD C 28.507 0.3 1 1107 98 98 LYS CE C 41.527 0.3 1 1108 98 98 LYS CG C 25.319 0.3 1 1109 98 98 LYS N N 126.040 0.3 1 1110 99 99 TRP H H 7.881 0.02 1 1111 99 99 TRP HA H 5.300 0.02 1 1112 99 99 TRP HB2 H 2.900 0.02 2 1113 99 99 TRP HB3 H 3.038 0.02 2 1114 99 99 TRP HD1 H 6.780 0.02 1 1115 99 99 TRP HE1 H 9.927 0.02 1 1116 99 99 TRP HE3 H 7.223 0.02 1 1117 99 99 TRP HZ2 H 7.530 0.02 1 1118 99 99 TRP C C 175.209 0.3 1 1119 99 99 TRP CA C 56.520 0.3 1 1120 99 99 TRP CB C 31.710 0.3 1 1121 99 99 TRP CD1 C 123.935 0.3 1 1122 99 99 TRP CE3 C 119.665 0.3 1 1123 99 99 TRP N N 122.920 0.3 1 1124 99 99 TRP NE1 N 129.634 0.3 1 1125 100 100 PHE H H 8.715 0.02 1 1126 100 100 PHE HA H 4.794 0.02 1 1127 100 100 PHE HB2 H 2.703 0.02 2 1128 100 100 PHE HD2 H 7.091 0.02 3 1129 100 100 PHE HE2 H 6.938 0.02 3 1130 100 100 PHE C C 172.134 0.3 1 1131 100 100 PHE CA C 57.590 0.3 1 1132 100 100 PHE CB C 43.700 0.3 1 1133 100 100 PHE N N 119.310 0.3 1 1134 101 101 LEU H H 8.483 0.02 1 1135 101 101 LEU HA H 5.010 0.02 1 1136 101 101 LEU HB2 H -0.818 0.02 2 1137 101 101 LEU HB3 H 0.998 0.02 2 1138 101 101 LEU HD1 H 0.611 0.02 2 1139 101 101 LEU HD2 H 0.511 0.02 2 1140 101 101 LEU HG H 1.056 0.02 1 1141 101 101 LEU C C 174.675 0.3 1 1142 101 101 LEU CA C 52.682 0.3 1 1143 101 101 LEU CB C 41.520 0.3 1 1144 101 101 LEU CD1 C 21.865 0.3 1 1145 101 101 LEU CD2 C 26.913 0.3 1 1146 101 101 LEU CG C 27.179 0.3 1 1147 101 101 LEU N N 123.820 0.3 1 1148 102 102 LEU H H 9.655 0.02 1 1149 102 102 LEU HA H 5.326 0.02 1 1150 102 102 LEU HB2 H 1.200 0.02 2 1151 102 102 LEU HB3 H 1.647 0.02 2 1152 102 102 LEU HD1 H 0.707 0.02 2 1153 102 102 LEU HD2 H 0.804 0.02 2 1154 102 102 LEU HG H 1.512 0.02 1 1155 102 102 LEU C C 175.315 0.3 1 1156 102 102 LEU CA C 52.150 0.3 1 1157 102 102 LEU CB C 45.540 0.3 1 1158 102 102 LEU CD1 C 25.384 0.3 1 1159 102 102 LEU CD2 C 27.444 0.3 1 1160 102 102 LEU CG C 27.700 0.3 1 1161 102 102 LEU N N 127.470 0.3 1 1162 103 103 GLN H H 9.093 0.02 1 1163 103 103 GLN HA H 5.084 0.02 1 1164 103 103 GLN HB2 H 1.756 0.02 2 1165 103 103 GLN HB3 H 1.889 0.02 2 1166 103 103 GLN HE21 H 7.004 0.02 2 1167 103 103 GLN HE22 H 6.814 0.02 2 1168 103 103 GLN HG2 H 2.060 0.02 2 1169 103 103 GLN C C 176.204 0.3 1 1170 103 103 GLN CA C 53.744 0.3 1 1171 103 103 GLN CB C 31.429 0.3 1 1172 103 103 GLN CD C 181.058 0.3 1 1173 103 103 GLN CG C 33.554 0.3 1 1174 103 103 GLN N N 120.910 0.3 1 1175 103 103 GLN NE2 N 108.698 0.3 1 1176 104 104 LEU H H 8.751 0.02 1 1177 104 104 LEU HA H 4.664 0.02 1 1178 104 104 LEU HB2 H 1.298 0.02 2 1179 104 104 LEU HB3 H 2.118 0.02 2 1180 104 104 LEU HD1 H 0.977 0.02 2 1181 104 104 LEU HD2 H 1.054 0.02 2 1182 104 104 LEU HG H 1.436 0.02 1 1183 104 104 LEU C C 176.399 0.3 1 1184 104 104 LEU CA C 55.770 0.3 1 1185 104 104 LEU CB C 42.587 0.3 1 1186 104 104 LEU CD1 C 24.523 0.3 1 1187 104 104 LEU CD2 C 27.179 0.3 1 1188 104 104 LEU CG C 29.038 0.3 1 1189 104 104 LEU N N 128.010 0.3 1 1190 105 105 VAL H H 8.891 0.02 1 1191 105 105 VAL HA H 4.417 0.02 1 1192 105 105 VAL HB H 2.155 0.02 1 1193 105 105 VAL HG1 H 0.734 0.02 2 1194 105 105 VAL HG2 H 0.843 0.02 2 1195 105 105 VAL C C 176.986 0.3 1 1196 105 105 VAL CA C 62.511 0.3 1 1197 105 105 VAL CB C 32.492 0.3 1 1198 105 105 VAL CG1 C 19.599 0.3 1 1199 105 105 VAL CG2 C 21.865 0.3 1 1200 105 105 VAL N N 124.860 0.3 1 1201 106 106 SER H H 7.332 0.02 1 1202 106 106 SER HA H 4.716 0.02 1 1203 106 106 SER HB2 H 3.910 0.02 2 1204 106 106 SER HB3 H 4.096 0.02 2 1205 106 106 SER C C 173.343 0.3 1 1206 106 106 SER CA C 57.464 0.3 1 1207 106 106 SER CB C 64.636 0.3 1 1208 106 106 SER N N 116.730 0.3 1 1209 107 107 GLY H H 8.472 0.02 1 1210 107 107 GLY HA2 H 4.090 0.02 2 1211 107 107 GLY HA3 H 4.216 0.02 2 1212 107 107 GLY C C 173.911 0.3 1 1213 107 107 GLY CA C 45.509 0.3 1 1214 107 107 GLY N N 107.294 0.3 1 1215 108 108 ASP H H 8.503 0.02 1 1216 108 108 ASP HA H 4.356 0.02 1 1217 108 108 ASP HB2 H 3.011 0.02 2 1218 108 108 ASP C C 178.212 0.3 1 1219 108 108 ASP CA C 56.667 0.3 1 1220 108 108 ASP CB C 40.727 0.3 1 1221 108 108 ASP N N 120.450 0.3 1 1222 109 109 ALA H H 8.293 0.02 1 1223 109 109 ALA HA H 4.320 0.02 1 1224 109 109 ALA HB H 1.501 0.02 1 1225 109 109 ALA C C 179.243 0.3 1 1226 109 109 ALA CA C 53.770 0.3 1 1227 109 109 ALA CB C 18.677 0.3 1 1228 109 109 ALA N N 120.050 0.3 1 1229 110 110 GLU H H 7.731 0.02 1 1230 110 110 GLU HA H 4.168 0.02 1 1231 110 110 GLU HB2 H 1.867 0.02 2 1232 110 110 GLU HB3 H 2.122 0.02 2 1233 110 110 GLU HG2 H 2.415 0.02 2 1234 110 110 GLU HG3 H 2.514 0.02 2 1235 110 110 GLU C C 176.666 0.3 1 1236 110 110 GLU CA C 56.401 0.3 1 1237 110 110 GLU CB C 29.290 0.3 1 1238 110 110 GLU CG C 35.680 0.3 1 1239 110 110 GLU N N 115.050 0.3 1 1240 111 111 ILE H H 7.187 0.02 1 1241 111 111 ILE HA H 3.495 0.02 1 1242 111 111 ILE HB H 1.543 0.02 1 1243 111 111 ILE HD1 H -0.124 0.02 1 1244 111 111 ILE HG12 H 0.388 0.02 1 1245 111 111 ILE HG13 H 1.265 0.02 1 1246 111 111 ILE HG2 H 0.141 0.02 1 1247 111 111 ILE C C 175.990 0.3 1 1248 111 111 ILE CA C 63.574 0.3 1 1249 111 111 ILE CB C 37.539 0.3 1 1250 111 111 ILE CD1 C 12.567 0.3 1 1251 111 111 ILE CG1 C 29.398 0.3 1 1252 111 111 ILE CG2 C 16.619 0.3 1 1253 111 111 ILE N N 118.430 0.3 1 1254 112 112 ASN H H 8.249 0.02 1 1255 112 112 ASN HA H 4.778 0.02 1 1256 112 112 ASN HB2 H 2.752 0.02 2 1257 112 112 ASN HD21 H 7.504 0.02 2 1258 112 112 ASN HD22 H 6.735 0.02 2 1259 112 112 ASN C C 174.302 0.3 1 1260 112 112 ASN CA C 52.416 0.3 1 1261 112 112 ASN CB C 39.399 0.3 1 1262 112 112 ASN CG C 177.570 0.3 1 1263 112 112 ASN N N 125.978 0.3 1 1264 112 112 ASN ND2 N 110.876 0.3 1 1265 113 113 MET H H 8.848 0.02 1 1266 113 113 MET HA H 4.347 0.02 1 1267 113 113 MET HB2 H 1.853 0.02 2 1268 113 113 MET HE H 1.833 0.02 1 1269 113 113 MET HG2 H 2.589 0.02 2 1270 113 113 MET HG3 H 2.686 0.02 2 1271 113 113 MET C C 176.950 0.3 1 1272 113 113 MET CA C 56.401 0.3 1 1273 113 113 MET CB C 32.480 0.3 1 1274 113 113 MET CE C 19.208 0.3 1 1275 113 113 MET CG C 34.351 0.3 1 1276 113 113 MET N N 121.780 0.3 1 1277 114 114 GLN H H 8.179 0.02 1 1278 114 114 GLN HA H 4.644 0.02 1 1279 114 114 GLN HB2 H 2.008 0.02 2 1280 114 114 GLN HB3 H 2.370 0.02 2 1281 114 114 GLN HE21 H 7.554 0.02 2 1282 114 114 GLN HE22 H 6.809 0.02 2 1283 114 114 GLN HG2 H 2.227 0.02 2 1284 114 114 GLN HG3 H 2.382 0.02 2 1285 114 114 GLN C C 175.759 0.3 1 1286 114 114 GLN CA C 55.073 0.3 1 1287 114 114 GLN CB C 28.507 0.3 1 1288 114 114 GLN CD C 181.022 0.3 1 1289 114 114 GLN CG C 34.351 0.3 1 1290 114 114 GLN N N 119.120 0.3 1 1291 114 114 GLN NE2 N 111.631 0.3 1 1292 115 115 THR H H 7.902 0.02 1 1293 115 115 THR HA H 4.014 0.02 1 1294 115 115 THR HB H 4.062 0.02 1 1295 115 115 THR HG2 H 0.841 0.02 1 1296 115 115 THR C C 174.977 0.3 1 1297 115 115 THR CA C 63.840 0.3 1 1298 115 115 THR CB C 69.418 0.3 1 1299 115 115 THR CG2 C 21.839 0.3 1 1300 115 115 THR N N 113.460 0.3 1 1301 116 116 SER H H 8.098 0.02 1 1302 116 116 SER HA H 4.642 0.02 1 1303 116 116 SER HB2 H 3.693 0.02 2 1304 116 116 SER HB3 H 3.982 0.02 2 1305 116 116 SER C C 174.142 0.3 1 1306 116 116 SER CA C 56.932 0.3 1 1307 116 116 SER CB C 64.902 0.3 1 1308 116 116 SER N N 116.130 0.3 1 1309 117 117 SER H H 8.523 0.02 1 1310 117 117 SER HA H 4.319 0.02 1 1311 117 117 SER HB2 H 3.934 0.02 2 1312 117 117 SER HB3 H 3.982 0.02 2 1313 117 117 SER C C 174.924 0.3 1 1314 117 117 SER CA C 60.120 0.3 1 1315 117 117 SER CB C 63.330 0.3 1 1316 117 117 SER N N 116.250 0.3 1 1317 118 118 THR H H 8.003 0.02 1 1318 118 118 THR HA H 4.358 0.02 1 1319 118 118 THR HB H 4.061 0.02 1 1320 118 118 THR HG2 H 0.984 0.02 1 1321 118 118 THR CA C 57.680 0.3 1 1322 118 118 THR CB C 69.418 0.3 1 1323 118 118 THR CG2 C 20.784 0.3 1 1324 118 118 THR N N 113.720 0.3 1 1325 119 119 PRO HA H 4.410 0.02 1 1326 119 119 PRO HB2 H 2.483 0.02 2 1327 119 119 PRO HB3 H 2.028 0.02 2 1328 119 119 PRO HD2 H 2.835 0.02 2 1329 119 119 PRO HD3 H 3.238 0.02 2 1330 119 119 PRO HG2 H 1.589 0.02 2 1331 119 119 PRO HG3 H 1.800 0.02 2 1332 119 119 PRO C C 176.008 0.3 1 1333 119 119 PRO CA C 62.970 0.3 1 1334 119 119 PRO CB C 32.474 0.3 1 1335 119 119 PRO CD C 50.291 0.3 1 1336 119 119 PRO CG C 27.207 0.3 1 1337 120 120 GLU H H 8.364 0.02 1 1338 120 120 GLU HA H 4.003 0.02 1 1339 120 120 GLU HB2 H 1.140 0.02 2 1340 120 120 GLU HB3 H 1.678 0.02 2 1341 120 120 GLU HG2 H 1.494 0.02 2 1342 120 120 GLU HG3 H 1.567 0.02 2 1343 120 120 GLU C C 177.963 0.3 1 1344 120 120 GLU CA C 57.464 0.3 1 1345 120 120 GLU CB C 30.367 0.3 1 1346 120 120 GLU CG C 33.820 0.3 1 1347 120 120 GLU N N 122.340 0.3 1 1348 121 121 PHE H H 9.077 0.02 1 1349 121 121 PHE HA H 5.734 0.02 1 1350 121 121 PHE HB2 H 3.203 0.02 2 1351 121 121 PHE HB3 H 3.469 0.02 2 1352 121 121 PHE HE1 H 6.967 0.02 3 1353 121 121 PHE C C 175.191 0.3 1 1354 121 121 PHE CA C 56.135 0.3 1 1355 121 121 PHE CB C 43.500 0.3 1 1356 121 121 PHE CE1 C 128.402 0.3 3 1357 121 121 PHE N N 119.260 0.3 1 1358 122 122 ASP H H 8.823 0.02 1 1359 122 122 ASP HA H 4.861 0.02 1 1360 122 122 ASP HB2 H 2.329 0.02 2 1361 122 122 ASP HB3 H 3.083 0.02 2 1362 122 122 ASP C C 176.719 0.3 1 1363 122 122 ASP CA C 52.682 0.3 1 1364 122 122 ASP CB C 42.321 0.3 1 1365 122 122 ASP N N 115.490 0.3 1 1366 123 123 GLY H H 7.548 0.02 1 1367 123 123 GLY HA2 H 3.868 0.02 2 1368 123 123 GLY HA3 H 4.272 0.02 2 1369 123 123 GLY C C 170.552 0.3 1 1370 123 123 GLY CA C 45.470 0.3 1 1371 123 123 GLY N N 106.750 0.3 1 1372 124 124 TRP H H 8.195 0.02 1 1373 124 124 TRP HA H 5.853 0.02 1 1374 124 124 TRP HB2 H 3.074 0.02 2 1375 124 124 TRP HB3 H 3.200 0.02 2 1376 124 124 TRP HE1 H 10.137 0.02 1 1377 124 124 TRP HZ2 H 7.262 0.02 1 1378 124 124 TRP C C 173.840 0.3 1 1379 124 124 TRP CA C 56.667 0.3 1 1380 124 124 TRP CB C 31.160 0.3 1 1381 124 124 TRP N N 116.670 0.3 1 1382 124 124 TRP NE1 N 129.634 0.3 1 1383 125 125 ARG H H 9.568 0.02 1 1384 125 125 ARG HA H 4.096 0.02 1 1385 125 125 ARG HB2 H 1.736 0.02 2 1386 125 125 ARG HB3 H 1.822 0.02 2 1387 125 125 ARG HD2 H 2.855 0.02 2 1388 125 125 ARG HD3 H 2.915 0.02 2 1389 125 125 ARG HE H 6.404 0.02 1 1390 125 125 ARG HG2 H 1.366 0.02 2 1391 125 125 ARG HG3 H 1.654 0.02 2 1392 125 125 ARG C C 174.622 0.3 1 1393 125 125 ARG CA C 55.300 0.3 1 1394 125 125 ARG CB C 33.820 0.3 1 1395 125 125 ARG CD C 43.649 0.3 1 1396 125 125 ARG CG C 26.116 0.3 1 1397 125 125 ARG N N 117.360 0.3 1 1398 125 125 ARG NE N 110.958 0.3 1 1399 126 126 TRP H H 8.507 0.02 1 1400 126 126 TRP HA H 5.528 0.02 1 1401 126 126 TRP HB2 H 3.040 0.02 2 1402 126 126 TRP HD1 H 7.410 0.02 1 1403 126 126 TRP HE1 H 11.224 0.02 1 1404 126 126 TRP HH2 H 6.990 0.02 1 1405 126 126 TRP HZ2 H 7.553 0.02 1 1406 126 126 TRP C C 177.448 0.3 1 1407 126 126 TRP CA C 56.390 0.3 1 1408 126 126 TRP CB C 31.164 0.3 1 1409 126 126 TRP CD1 C 127.990 0.3 1 1410 126 126 TRP CH2 C 123.800 0.3 1 1411 126 126 TRP CZ2 C 115.196 0.3 1 1412 126 126 TRP N N 121.580 0.3 1 1413 126 126 TRP NE1 N 131.463 0.3 1 1414 127 127 VAL H H 9.493 0.02 1 1415 127 127 VAL HA H 4.706 0.02 1 1416 127 127 VAL HB H 1.703 0.02 1 1417 127 127 VAL HG1 H 0.672 0.02 2 1418 127 127 VAL HG2 H 0.470 0.02 2 1419 127 127 VAL C C 174.853 0.3 1 1420 127 127 VAL CA C 58.520 0.3 1 1421 127 127 VAL CB C 35.673 0.3 1 1422 127 127 VAL CG1 C 18.412 0.3 1 1423 127 127 VAL CG2 C 21.333 0.3 1 1424 127 127 VAL N N 115.800 0.3 1 1425 128 128 SER H H 8.193 0.02 1 1426 128 128 SER HA H 4.385 0.02 1 1427 128 128 SER HB2 H 3.851 0.02 2 1428 128 128 SER C C 175.209 0.3 1 1429 128 128 SER CA C 59.400 0.3 1 1430 128 128 SER CB C 63.308 0.3 1 1431 128 128 SER N N 115.740 0.3 1 1432 129 129 TYR H H 8.320 0.02 1 1433 129 129 TYR HA H 3.762 0.02 1 1434 129 129 TYR HB2 H 2.493 0.02 2 1435 129 129 TYR HB3 H 3.120 0.02 2 1436 129 129 TYR HD1 H 5.940 0.02 3 1437 129 129 TYR HE1 H 6.988 0.02 3 1438 129 129 TYR C C 173.218 0.3 1 1439 129 129 TYR CA C 63.830 0.3 1 1440 129 129 TYR CB C 39.399 0.3 1 1441 129 129 TYR CD1 C 132.800 0.3 3 1442 129 129 TYR CE1 C 124.350 0.3 3 1443 129 129 TYR N N 121.820 0.3 1 1444 130 130 TRP H H 7.578 0.02 1 1445 130 130 TRP HA H 4.520 0.02 1 1446 130 130 TRP HB2 H 3.090 0.02 2 1447 130 130 TRP HB3 H 3.441 0.02 2 1448 130 130 TRP HD1 H 7.367 0.02 1 1449 130 130 TRP HE1 H 10.323 0.02 1 1450 130 130 TRP HE3 H 7.473 0.02 1 1451 130 130 TRP HH2 H 7.125 0.02 1 1452 130 130 TRP HZ2 H 7.565 0.02 1 1453 130 130 TRP C C 177.928 0.3 1 1454 130 130 TRP CA C 56.670 0.3 1 1455 130 130 TRP CB C 29.303 0.3 1 1456 130 130 TRP CD1 C 128.399 0.3 1 1457 130 130 TRP CH2 C 124.376 0.3 1 1458 130 130 TRP CZ2 C 115.294 0.3 1 1459 130 130 TRP N N 108.120 0.3 1 1460 130 130 TRP NE1 N 129.518 0.3 1 1461 131 131 TYR H H 7.765 0.02 1 1462 131 131 TYR HA H 4.082 0.02 1 1463 131 131 TYR HB2 H 2.856 0.02 2 1464 131 131 TYR HB3 H 2.910 0.02 2 1465 131 131 TYR HD1 H 6.343 0.02 3 1466 131 131 TYR HE1 H 6.453 0.02 3 1467 131 131 TYR CA C 62.510 0.3 1 1468 131 131 TYR CB C 36.350 0.3 1 1469 131 131 TYR CD1 C 132.840 0.3 3 1470 131 131 TYR CE1 C 118.000 0.3 3 1471 131 131 TYR N N 123.050 0.3 1 1472 132 132 PRO HA H 2.738 0.02 1 1473 132 132 PRO HB2 H 1.078 0.02 2 1474 132 132 PRO HB3 H 1.437 0.02 2 1475 132 132 PRO HD2 H 3.656 0.02 2 1476 132 132 PRO C C 179.211 0.3 1 1477 132 132 PRO CA C 66.010 0.3 1 1478 132 132 PRO CB C 33.000 0.3 1 1479 133 133 VAL H H 6.959 0.02 1 1480 133 133 VAL HA H 3.538 0.02 1 1481 133 133 VAL HB H 2.264 0.02 1 1482 133 133 VAL HG1 H 1.028 0.02 2 1483 133 133 VAL HG2 H 1.063 0.02 2 1484 133 133 VAL C C 176.186 0.3 1 1485 133 133 VAL CA C 65.699 0.3 1 1486 133 133 VAL CB C 31.520 0.3 1 1487 133 133 VAL CG1 C 21.865 0.3 1 1488 133 133 VAL CG2 C 23.090 0.3 1 1489 133 133 VAL N N 110.338 0.3 1 1490 134 134 ARG H H 7.170 0.02 1 1491 134 134 ARG HA H 4.189 0.02 1 1492 134 134 ARG HB2 H 1.719 0.02 2 1493 134 134 ARG HB3 H 1.843 0.02 2 1494 134 134 ARG HD2 H 3.152 0.02 2 1495 134 134 ARG HE H 7.263 0.02 1 1496 134 134 ARG HG2 H 1.587 0.02 2 1497 134 134 ARG HG3 H 1.668 0.02 2 1498 134 134 ARG C C 177.128 0.3 1 1499 134 134 ARG CA C 56.932 0.3 1 1500 134 134 ARG CB C 30.367 0.3 1 1501 134 134 ARG CD C 43.401 0.3 1 1502 134 134 ARG CG C 27.680 0.3 1 1503 134 134 ARG N N 114.570 0.3 1 1504 134 134 ARG NE N 110.740 0.3 1 1505 135 135 GLN H H 7.098 0.02 1 1506 135 135 GLN HA H 4.179 0.02 1 1507 135 135 GLN HB2 H 1.368 0.02 2 1508 135 135 GLN HB3 H 2.215 0.02 2 1509 135 135 GLN HE21 H 6.773 0.02 2 1510 135 135 GLN HE22 H 6.666 0.02 2 1511 135 135 GLN HG2 H 1.460 0.02 2 1512 135 135 GLN HG3 H 1.614 0.02 2 1513 135 135 GLN C C 176.310 0.3 1 1514 135 135 GLN CA C 55.480 0.3 1 1515 135 135 GLN CB C 30.367 0.3 1 1516 135 135 GLN CD C 179.592 0.3 1 1517 135 135 GLN CG C 32.752 0.3 1 1518 135 135 GLN N N 114.870 0.3 1 1519 135 135 GLN NE2 N 112.506 0.3 1 1520 136 136 VAL H H 7.391 0.02 1 1521 136 136 VAL HA H 4.359 0.02 1 1522 136 136 VAL HB H 2.150 0.02 1 1523 136 136 VAL HG1 H 0.597 0.02 2 1524 136 136 VAL HG2 H 0.677 0.02 2 1525 136 136 VAL C C 173.822 0.3 1 1526 136 136 VAL CA C 61.183 0.3 1 1527 136 136 VAL CB C 33.023 0.3 1 1528 136 136 VAL CG1 C 19.475 0.3 1 1529 136 136 VAL CG2 C 21.334 0.3 1 1530 136 136 VAL N N 118.310 0.3 1 1531 137 137 VAL H H 7.821 0.02 1 1532 137 137 VAL HA H 4.180 0.02 1 1533 137 137 VAL HB H 2.144 0.02 1 1534 137 137 VAL HG1 H 0.670 0.02 2 1535 137 137 VAL HG2 H 0.913 0.02 2 1536 137 137 VAL C C 174.320 0.3 1 1537 137 137 VAL CA C 62.000 0.3 1 1538 137 137 VAL CB C 32.730 0.3 1 1539 137 137 VAL CG1 C 20.537 0.3 1 1540 137 137 VAL CG2 C 20.537 0.3 1 1541 137 137 VAL N N 121.410 0.3 1 1542 138 138 SER H H 8.419 0.02 1 1543 138 138 SER HA H 3.871 0.02 1 1544 138 138 SER HB2 H 4.058 0.02 2 1545 138 138 SER HB3 H 4.003 0.02 2 1546 138 138 SER C C 176.897 0.3 1 1547 138 138 SER CA C 61.110 0.3 1 1548 138 138 SER CB C 62.777 0.3 1 1549 138 138 SER N N 118.190 0.3 1 1550 139 139 PHE H H 7.555 0.02 1 1551 139 139 PHE HA H 4.684 0.02 1 1552 139 139 PHE HB2 H 3.149 0.02 2 1553 139 139 PHE HB3 H 3.496 0.02 2 1554 139 139 PHE HD1 H 7.248 0.02 3 1555 139 139 PHE C C 176.186 0.3 1 1556 139 139 PHE CA C 59.589 0.3 1 1557 139 139 PHE CB C 37.830 0.3 1 1558 139 139 PHE CD1 C 132.259 0.3 3 1559 139 139 PHE N N 118.130 0.3 1 1560 140 140 LYS H H 7.576 0.02 1 1561 140 140 LYS HA H 4.049 0.02 1 1562 140 140 LYS HB2 H 1.267 0.02 2 1563 140 140 LYS HB3 H 1.540 0.02 2 1564 140 140 LYS HD2 H 1.614 0.02 2 1565 140 140 LYS HD3 H 1.414 0.02 2 1566 140 140 LYS HE2 H 2.867 0.02 2 1567 140 140 LYS HE3 H 3.009 0.02 2 1568 140 140 LYS HG2 H 0.901 0.02 2 1569 140 140 LYS HG3 H 0.717 0.02 2 1570 140 140 LYS C C 176.133 0.3 1 1571 140 140 LYS CA C 57.198 0.3 1 1572 140 140 LYS CB C 33.554 0.3 1 1573 140 140 LYS CD C 29.759 0.3 1 1574 140 140 LYS CE C 42.549 0.3 1 1575 140 140 LYS CG C 25.850 0.3 1 1576 140 140 LYS N N 119.060 0.3 1 1577 141 141 ARG H H 7.335 0.02 1 1578 141 141 ARG HA H 3.575 0.02 1 1579 141 141 ARG HB2 H 1.740 0.02 2 1580 141 141 ARG HB3 H 1.861 0.02 2 1581 141 141 ARG HD2 H 3.192 0.02 2 1582 141 141 ARG HE H 8.591 0.02 1 1583 141 141 ARG HG2 H 1.599 0.02 2 1584 141 141 ARG HG3 H 1.749 0.02 2 1585 141 141 ARG C C 177.252 0.3 1 1586 141 141 ARG CA C 60.652 0.3 1 1587 141 141 ARG CB C 30.101 0.3 1 1588 141 141 ARG CD C 43.649 0.3 1 1589 141 141 ARG CG C 27.443 0.3 1 1590 141 141 ARG N N 120.030 0.3 1 1591 142 142 ASP H H 8.302 0.02 1 1592 142 142 ASP HA H 4.436 0.02 1 1593 142 142 ASP HB2 H 2.783 0.02 2 1594 142 142 ASP C C 178.905 0.3 1 1595 142 142 ASP CA C 57.995 0.3 1 1596 142 142 ASP CB C 40.993 0.3 1 1597 142 142 ASP N N 118.430 0.3 1 1598 143 143 VAL H H 7.889 0.02 1 1599 143 143 VAL HA H 3.662 0.02 1 1600 143 143 VAL HB H 2.143 0.02 1 1601 143 143 VAL HG1 H 1.114 0.02 2 1602 143 143 VAL HG2 H 1.054 0.02 2 1603 143 143 VAL C C 177.146 0.3 1 1604 143 143 VAL CA C 67.027 0.3 1 1605 143 143 VAL CB C 31.960 0.3 1 1606 143 143 VAL CG1 C 21.334 0.3 1 1607 143 143 VAL CG2 C 23.459 0.3 1 1608 143 143 VAL N N 119.780 0.3 1 1609 144 144 TYR H H 8.479 0.02 1 1610 144 144 TYR HA H 3.775 0.02 1 1611 144 144 TYR HB2 H 2.639 0.02 2 1612 144 144 TYR HB3 H 3.197 0.02 2 1613 144 144 TYR HD1 H 6.790 0.02 3 1614 144 144 TYR HE1 H 6.951 0.02 3 1615 144 144 TYR C C 177.821 0.3 1 1616 144 144 TYR CA C 60.910 0.3 1 1617 144 144 TYR CB C 37.008 0.3 1 1618 144 144 TYR CD1 C 131.000 0.3 3 1619 144 144 TYR N N 119.170 0.3 1 1620 145 145 ARG H H 8.866 0.02 1 1621 145 145 ARG HA H 3.874 0.02 1 1622 145 145 ARG HB2 H 1.998 0.02 2 1623 145 145 ARG HD2 H 3.286 0.02 2 1624 145 145 ARG HG2 H 1.664 0.02 2 1625 145 145 ARG HG3 H 1.779 0.02 2 1626 145 145 ARG C C 178.081 0.3 1 1627 145 145 ARG CA C 60.917 0.3 1 1628 145 145 ARG CB C 30.108 0.3 1 1629 145 145 ARG CD C 43.649 0.3 1 1630 145 145 ARG CG C 27.904 0.3 1 1631 145 145 ARG N N 118.460 0.3 1 1632 146 146 ARG H H 7.579 0.02 1 1633 146 146 ARG HA H 3.971 0.02 1 1634 146 146 ARG HB2 H 1.946 0.02 2 1635 146 146 ARG HD2 H 3.228 0.02 2 1636 146 146 ARG HG2 H 1.718 0.02 2 1637 146 146 ARG HG3 H 1.912 0.02 2 1638 146 146 ARG C C 179.580 0.3 1 1639 146 146 ARG CA C 59.589 0.3 1 1640 146 146 ARG CB C 30.368 0.3 1 1641 146 146 ARG CD C 43.915 0.3 1 1642 146 146 ARG CG C 27.823 0.3 1 1643 146 146 ARG N N 118.220 0.3 1 1644 147 147 VAL H H 8.237 0.02 1 1645 147 147 VAL HA H 2.741 0.02 1 1646 147 147 VAL HB H 1.202 0.02 1 1647 147 147 VAL HG1 H -0.127 0.02 2 1648 147 147 VAL HG2 H -0.298 0.02 2 1649 147 147 VAL C C 176.755 0.3 1 1650 147 147 VAL CA C 66.762 0.3 1 1651 147 147 VAL CB C 31.695 0.3 1 1652 147 147 VAL CG1 C 21.068 0.3 1 1653 147 147 VAL CG2 C 21.865 0.3 1 1654 147 147 VAL N N 121.750 0.3 1 1655 148 148 MET H H 8.271 0.02 1 1656 148 148 MET HA H 4.263 0.02 1 1657 148 148 MET HB2 H 1.728 0.02 2 1658 148 148 MET HB3 H 1.843 0.02 2 1659 148 148 MET HE H 1.442 0.02 1 1660 148 148 MET HG2 H 2.198 0.02 2 1661 148 148 MET HG3 H 2.515 0.02 2 1662 148 148 MET C C 176.541 0.3 1 1663 148 148 MET CA C 56.667 0.3 1 1664 148 148 MET CB C 30.260 0.3 1 1665 148 148 MET CE C 18.412 0.3 1 1666 148 148 MET CG C 33.023 0.3 1 1667 148 148 MET N N 115.030 0.3 1 1668 149 149 LYS H H 8.391 0.02 1 1669 149 149 LYS HA H 4.406 0.02 1 1670 149 149 LYS HB2 H 2.050 0.02 2 1671 149 149 LYS HB3 H 2.153 0.02 2 1672 149 149 LYS HD2 H 1.753 0.02 2 1673 149 149 LYS HD3 H 1.828 0.02 2 1674 149 149 LYS HE2 H 3.021 0.02 2 1675 149 149 LYS HG2 H 1.627 0.02 2 1676 149 149 LYS HG3 H 1.820 0.02 2 1677 149 149 LYS C C 178.515 0.3 1 1678 149 149 LYS CA C 60.120 0.3 1 1679 149 149 LYS CB C 32.492 0.3 1 1680 149 149 LYS CD C 29.570 0.3 1 1681 149 149 LYS CE C 42.100 0.3 1 1682 149 149 LYS CG C 25.586 0.3 1 1683 149 149 LYS N N 120.800 0.3 1 1684 150 150 GLU H H 7.630 0.02 1 1685 150 150 GLU HA H 4.096 0.02 1 1686 150 150 GLU HB2 H 1.698 0.02 2 1687 150 150 GLU HB3 H 1.936 0.02 2 1688 150 150 GLU HG2 H 2.100 0.02 2 1689 150 150 GLU HG3 H 2.291 0.02 2 1690 150 150 GLU C C 179.243 0.3 1 1691 150 150 GLU CA C 59.590 0.3 1 1692 150 150 GLU CB C 28.507 0.3 1 1693 150 150 GLU CG C 35.680 0.3 1 1694 150 150 GLU N N 120.640 0.3 1 1695 151 151 PHE H H 7.733 0.02 1 1696 151 151 PHE HA H 4.881 0.02 1 1697 151 151 PHE HB2 H 3.264 0.02 2 1698 151 151 PHE HB3 H 3.409 0.02 2 1699 151 151 PHE HD1 H 7.108 0.02 3 1700 151 151 PHE HD2 H 6.812 0.02 3 1701 151 151 PHE C C 177.359 0.3 1 1702 151 151 PHE CA C 54.276 0.3 1 1703 151 151 PHE CB C 38.602 0.3 1 1704 151 151 PHE CD1 C 132.868 0.3 3 1705 151 151 PHE N N 114.970 0.3 1 1706 152 152 ALA H H 7.619 0.02 1 1707 152 152 ALA HA H 3.616 0.02 1 1708 152 152 ALA HB H 1.660 0.02 1 1709 152 152 ALA C C 179.331 0.3 1 1710 152 152 ALA CA C 56.667 0.3 1 1711 152 152 ALA CB C 18.412 0.3 1 1712 152 152 ALA N N 123.730 0.3 1 1713 153 153 SER H H 8.599 0.02 1 1714 153 153 SER HA H 4.129 0.02 1 1715 153 153 SER HB2 H 3.965 0.02 2 1716 153 153 SER C C 176.790 0.3 1 1717 153 153 SER CA C 61.448 0.3 1 1718 153 153 SER CB C 62.245 0.3 1 1719 153 153 SER N N 110.890 0.3 1 1720 154 154 VAL H H 7.418 0.02 1 1721 154 154 VAL HA H 3.744 0.02 1 1722 154 154 VAL HB H 1.990 0.02 1 1723 154 154 VAL HG1 H 1.012 0.02 2 1724 154 154 VAL HG2 H 0.814 0.02 2 1725 154 154 VAL C C 178.709 0.3 1 1726 154 154 VAL CA C 65.433 0.3 1 1727 154 154 VAL CB C 31.695 0.3 1 1728 154 154 VAL CG1 C 21.865 0.3 1 1729 154 154 VAL CG2 C 22.663 0.3 1 1730 154 154 VAL N N 122.750 0.3 1 1731 155 155 VAL H H 7.515 0.02 1 1732 155 155 VAL HA H 3.496 0.02 1 1733 155 155 VAL HB H 1.643 0.02 1 1734 155 155 VAL HG1 H 0.767 0.02 2 1735 155 155 VAL HG2 H 0.984 0.02 2 1736 155 155 VAL C C 178.514 0.3 1 1737 155 155 VAL CA C 66.762 0.3 1 1738 155 155 VAL CB C 31.429 0.3 1 1739 155 155 VAL CG1 C 21.600 0.3 1 1740 155 155 VAL CG2 C 24.175 0.3 1 1741 155 155 VAL N N 119.478 0.3 1 1742 156 156 MET H H 8.298 0.02 1 1743 156 156 MET HA H 4.214 0.02 1 1744 156 156 MET HB2 H 2.060 0.02 2 1745 156 156 MET HE H 1.968 0.02 1 1746 156 156 MET HG2 H 2.494 0.02 2 1747 156 156 MET HG3 H 2.630 0.02 2 1748 156 156 MET C C 178.638 0.3 1 1749 156 156 MET CA C 57.995 0.3 1 1750 156 156 MET CB C 31.960 0.3 1 1751 156 156 MET CE C 17.084 0.3 1 1752 156 156 MET CG C 32.496 0.3 1 1753 156 156 MET N N 118.260 0.3 1 1754 157 157 SER H H 7.602 0.02 1 1755 157 157 SER HA H 4.354 0.02 1 1756 157 157 SER HB2 H 4.012 0.02 2 1757 157 157 SER C C 175.493 0.3 1 1758 157 157 SER CA C 60.770 0.3 1 1759 157 157 SER CB C 63.308 0.3 1 1760 157 157 SER N N 114.360 0.3 1 1761 158 158 LEU H H 7.438 0.02 1 1762 158 158 LEU HA H 4.199 0.02 1 1763 158 158 LEU HB2 H 1.616 0.02 2 1764 158 158 LEU HB3 H 1.781 0.02 2 1765 158 158 LEU HD1 H 0.813 0.02 2 1766 158 158 LEU HD2 H 0.758 0.02 2 1767 158 158 LEU HG H 1.792 0.02 1 1768 158 158 LEU C C 177.981 0.3 1 1769 158 158 LEU CA C 56.401 0.3 1 1770 158 158 LEU CB C 42.321 0.3 1 1771 158 158 LEU CD1 C 25.319 0.3 1 1772 158 158 LEU CD2 C 23.459 0.3 1 1773 158 158 LEU CG C 26.382 0.3 1 1774 158 158 LEU N N 121.680 0.3 1 1775 159 159 GLN H H 7.611 0.02 1 1776 159 159 GLN HA H 4.241 0.02 1 1777 159 159 GLN HB2 H 2.053 0.02 2 1778 159 159 GLN HB3 H 2.143 0.02 2 1779 159 159 GLN HE21 H 7.320 0.02 2 1780 159 159 GLN HE22 H 6.698 0.02 2 1781 159 159 GLN HG2 H 2.345 0.02 2 1782 159 159 GLN HG3 H 2.373 0.02 2 1783 159 159 GLN C C 176.755 0.3 1 1784 159 159 GLN CA C 56.666 0.3 1 1785 159 159 GLN CB C 29.304 0.3 1 1786 159 159 GLN CD C 179.885 0.3 1 1787 159 159 GLN CG C 34.086 0.3 1 1788 159 159 GLN N N 117.220 0.3 1 1789 159 159 GLN NE2 N 110.762 0.3 1 1790 160 160 GLU H H 8.086 0.02 1 1791 160 160 GLU HA H 4.261 0.02 1 1792 160 160 GLU HB2 H 1.996 0.02 2 1793 160 160 GLU HB3 H 2.082 0.02 2 1794 160 160 GLU HG2 H 2.306 0.02 2 1795 160 160 GLU HG3 H 2.367 0.02 2 1796 160 160 GLU C C 176.381 0.3 1 1797 160 160 GLU CA C 56.932 0.3 1 1798 160 160 GLU CB C 30.109 0.3 1 1799 160 160 GLU CG C 35.761 0.3 1 1800 160 160 GLU N N 120.330 0.3 1 1801 161 161 ASN H H 8.263 0.02 1 1802 161 161 ASN HA H 4.780 0.02 1 1803 161 161 ASN HB2 H 2.756 0.02 2 1804 161 161 ASN HB3 H 2.852 0.02 2 1805 161 161 ASN HD21 H 7.576 0.02 2 1806 161 161 ASN HD22 H 6.909 0.02 2 1807 161 161 ASN C C 174.871 0.3 1 1808 161 161 ASN CA C 53.213 0.3 1 1809 161 161 ASN CB C 39.133 0.3 1 1810 161 161 ASN CG C 177.146 0.3 1 1811 161 161 ASN N N 118.810 0.3 1 1812 161 161 ASN ND2 N 113.040 0.3 1 1813 162 162 THR H H 7.991 0.02 1 1814 162 162 THR HA H 4.564 0.02 1 1815 162 162 THR HB H 4.154 0.02 1 1816 162 162 THR HG2 H 1.258 0.02 1 1817 162 162 THR CA C 60.260 0.3 1 1818 162 162 THR CB C 69.684 0.3 1 1819 162 162 THR CG2 C 21.480 0.3 1 1820 162 162 THR N N 117.150 0.3 1 1821 163 163 PRO HA H 4.416 0.02 1 1822 163 163 PRO HB2 H 1.957 0.02 2 1823 163 163 PRO HB3 H 2.308 0.02 2 1824 163 163 PRO HD2 H 3.698 0.02 2 1825 163 163 PRO HD3 H 3.863 0.02 2 1826 163 163 PRO HG2 H 1.982 0.02 2 1827 163 163 PRO HG3 H 2.065 0.02 2 1828 163 163 PRO C C 176.079 0.3 1 1829 163 163 PRO CA C 63.574 0.3 1 1830 163 163 PRO CB C 31.960 0.3 1 1831 163 163 PRO CD C 51.088 0.3 1 1832 163 163 PRO CG C 27.444 0.3 1 1833 164 164 LYS H H 7.999 0.02 1 1834 164 164 LYS HA H 4.163 0.02 1 1835 164 164 LYS HB2 H 1.714 0.02 2 1836 164 164 LYS HB3 H 1.839 0.02 2 1837 164 164 LYS HD2 H 1.678 0.02 2 1838 164 164 LYS HE2 H 3.017 0.02 2 1839 164 164 LYS HG2 H 1.438 0.02 2 1840 164 164 LYS CA C 57.729 0.3 1 1841 164 164 LYS CB C 33.730 0.3 1 1842 164 164 LYS CD C 29.170 0.3 1 1843 164 164 LYS CE C 42.352 0.3 1 1844 164 164 LYS CG C 24.788 0.3 1 1845 164 164 LYS N N 127.170 0.3 1 stop_ save_