data_17124 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NP_888769.1 ; _BMRB_accession_number 17124 _BMRB_flat_file_name bmr17124.str _Entry_type original _Submission_date 2010-08-11 _Accession_date 2010-08-11 _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 Wahab Atia-tul . . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wilson Ian . . 5 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 775 "13C chemical shifts" 565 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-01 update BMRB 'update entry citation' 2011-05-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the Bordetella bronchiseptica protein NP_888769.1 establishes a new phage-related protein family PF13554.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21520320 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wahab Atia-Tul . . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science' _Journal_volume 20 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1137 _Page_last 1144 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NP_888769.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NP_888769.1 $NP_888769.1 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_NP_888769.1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NP_888769.1 _Molecular_mass 15260.356 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; GMSQDLIRAAFEKRLSDWAK ARTPALPVAWQNTKFTPPAA GVYLRAYVMPAATISRDAAG DHRQYRGVFQVNVVMPIGDG SRSAEQVAAELDALFPVNLV MQSGGLAVRVRTPISNGQPT TGDADHTVPISLGYDVQFYP E ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 MET 3 SER 4 GLN 5 ASP 6 LEU 7 ILE 8 ARG 9 ALA 10 ALA 11 PHE 12 GLU 13 LYS 14 ARG 15 LEU 16 SER 17 ASP 18 TRP 19 ALA 20 LYS 21 ALA 22 ARG 23 THR 24 PRO 25 ALA 26 LEU 27 PRO 28 VAL 29 ALA 30 TRP 31 GLN 32 ASN 33 THR 34 LYS 35 PHE 36 THR 37 PRO 38 PRO 39 ALA 40 ALA 41 GLY 42 VAL 43 TYR 44 LEU 45 ARG 46 ALA 47 TYR 48 VAL 49 MET 50 PRO 51 ALA 52 ALA 53 THR 54 ILE 55 SER 56 ARG 57 ASP 58 ALA 59 ALA 60 GLY 61 ASP 62 HIS 63 ARG 64 GLN 65 TYR 66 ARG 67 GLY 68 VAL 69 PHE 70 GLN 71 VAL 72 ASN 73 VAL 74 VAL 75 MET 76 PRO 77 ILE 78 GLY 79 ASP 80 GLY 81 SER 82 ARG 83 SER 84 ALA 85 GLU 86 GLN 87 VAL 88 ALA 89 ALA 90 GLU 91 LEU 92 ASP 93 ALA 94 LEU 95 PHE 96 PRO 97 VAL 98 ASN 99 LEU 100 VAL 101 MET 102 GLN 103 SER 104 GLY 105 GLY 106 LEU 107 ALA 108 VAL 109 ARG 110 VAL 111 ARG 112 THR 113 PRO 114 ILE 115 SER 116 ASN 117 GLY 118 GLN 119 PRO 120 THR 121 THR 122 GLY 123 ASP 124 ALA 125 ASP 126 HIS 127 THR 128 VAL 129 PRO 130 ILE 131 SER 132 LEU 133 GLY 134 TYR 135 ASP 136 VAL 137 GLN 138 PHE 139 TYR 140 PRO 141 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 2L25 Np_888769.1 100.00 141 100.00 100.00 2.19e-97 DBJ BAO70052 "hypothetical protein BBS798_3327 [Bordetella bronchiseptica]" 99.29 140 100.00 100.00 1.61e-96 EMBL CAE32722 "phage-related conserved hypothetical protein [Bordetella bronchiseptica RB50]" 99.29 140 100.00 100.00 1.61e-96 EMBL CAE33988 "phage-related conserved hypothetical protein [Bordetella bronchiseptica RB50]" 99.29 140 100.00 100.00 1.61e-96 EMBL CCN17196 "phage-related conserved hypothetical protein [Bordetella bronchiseptica MO211]" 99.29 140 100.00 100.00 1.61e-96 GB KAK74699 "hypothetical protein L530_3421 [Bordetella bronchiseptica MO211]" 99.29 140 100.00 100.00 1.61e-96 GB KCV36321 "hypothetical protein L489_3890 [Bordetella bronchiseptica 00-P-2730]" 70.92 114 99.00 100.00 7.05e-64 GB KCV51124 "hypothetical protein L491_3590 [Bordetella bronchiseptica 3E44]" 99.29 140 100.00 100.00 1.61e-96 GB KDB85184 "hypothetical protein L495_3595 [Bordetella bronchiseptica CARE970018BB]" 99.29 140 100.00 100.00 1.61e-96 GB KDB90075 "hypothetical protein AZ17_2292 [Bordetella bronchiseptica D989]" 99.29 140 100.00 100.00 1.61e-96 REF WP_004566287 "hypothetical protein [Bordetella bronchiseptica]" 99.29 140 100.00 100.00 1.61e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NP_888769.1 'B. bronchiseptica' 518 Bacteria . Bordetella bronchiseptica 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 $NP_888769.1 'recombinant technology' . Escherichia coli BL21(DE3) pSpeedET 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 $NP_888769.1 1.0 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 4.5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_UNIO _Saveframe_category software _Name UNIO _Version 2.0.0 loop_ _Vendor _Address _Electronic_address 'Torsten Herrmann' 'Centre Europeen de RMN a Tres Hauts Champs, Universite de Lyon/FRE 3008 CNRS/ENS lyon, 5 rue de la Doua, 69100 Villeurbanne, France' torsten.hermann@ens-lyon.fr stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'structure calculation' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' ; Institute of Biophysical Chemistry, Goethe-University Frankfurt am Main, Max-von-Laue-Str.9 60438 Frankfurt am Main Germany ; guentert@em.uni-frankfurt.de stop_ loop_ _Task 'Structure calculation' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data collection' 'data processing' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version 2K.1 loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'analysis and display of molecule' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4_linux loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . 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_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_15N-1H_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-1H HSQC' _Sample_label $sample_1 save_ save_4D_APSY-HACANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HACANH' _Sample_label $sample_1 save_ save_5D_APSY-HACACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-HACACONH' _Sample_label $sample_1 save_ save_5D_APSY-CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-CBCACONH' _Sample_label $sample_1 save_ save_15N-resolved_[1H,1H]-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_13C(aliphatic)-resolved_[1H,1H]-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C(aliphatic)-resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_13C(aromatic)-resolved_[1H,1H]-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13C(aromatic)-resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM sodium phosphate buffer, 50 mM sodium chloride, pH 6.0, 4.5 mM sodium azide, 5% D2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.11 . M pH 6.0 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation 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 15N-1H HSQC' '4D APSY-HACANH' '5D APSY-HACACONH' '5D APSY-CBCACONH' '15N-resolved [1H,1H]-NOESY' '13C(aliphatic)-resolved [1H,1H]-NOESY' '13C(aromatic)-resolved [1H,1H]-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 NP_888769.1 _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 GLY HA2 H 3.811 0.027 2 2 1 1 GLY HA3 H 3.811 0.027 2 3 1 1 GLY CA C 43.290 0.15 1 4 2 2 MET HA H 4.292 0.027 1 5 2 2 MET HB2 H 2.086 0.027 2 6 2 2 MET HE H 1.673 0.027 1 7 2 2 MET HG2 H 2.288 0.027 2 8 2 2 MET CA C 56.287 0.15 1 9 2 2 MET CB C 32.858 0.15 1 10 2 2 MET CE C 16.885 0.15 1 11 2 2 MET CG C 31.878 0.15 1 12 3 3 SER H H 8.283 0.027 1 13 3 3 SER HA H 4.231 0.027 1 14 3 3 SER HB2 H 3.676 0.027 2 15 3 3 SER HB3 H 3.818 0.027 2 16 3 3 SER CA C 59.796 0.15 1 17 3 3 SER CB C 63.944 0.15 1 18 3 3 SER N N 117.135 0.20 1 19 4 4 GLN H H 8.529 0.027 1 20 4 4 GLN HA H 3.998 0.027 1 21 4 4 GLN HB2 H 2.072 0.027 2 22 4 4 GLN HB3 H 2.072 0.027 2 23 4 4 GLN HE21 H 6.450 0.027 2 24 4 4 GLN HE22 H 7.615 0.027 2 25 4 4 GLN HG2 H 2.471 0.027 2 26 4 4 GLN HG3 H 2.471 0.027 2 27 4 4 GLN CA C 58.203 0.15 1 28 4 4 GLN CB C 27.646 0.15 1 29 4 4 GLN CG C 33.275 0.15 1 30 4 4 GLN N N 122.768 0.20 1 31 4 4 GLN NE2 N 110.719 0.20 1 32 5 5 ASP H H 8.053 0.027 1 33 5 5 ASP HA H 4.283 0.027 1 34 5 5 ASP HB2 H 2.587 0.027 2 35 5 5 ASP HB3 H 2.587 0.027 2 36 5 5 ASP CA C 56.876 0.15 1 37 5 5 ASP CB C 39.918 0.15 1 38 5 5 ASP N N 119.727 0.20 1 39 6 6 LEU H H 7.798 0.027 1 40 6 6 LEU HA H 3.900 0.027 1 41 6 6 LEU HB2 H 1.864 0.027 2 42 6 6 LEU HB3 H 1.305 0.027 2 43 6 6 LEU HD1 H 0.951 0.027 1 44 6 6 LEU HD2 H 0.702 0.027 1 45 6 6 LEU HG H 1.669 0.027 1 46 6 6 LEU CA C 57.185 0.15 1 47 6 6 LEU CB C 41.574 0.15 1 48 6 6 LEU CD1 C 25.543 0.15 2 49 6 6 LEU CD2 C 21.900 0.15 2 50 6 6 LEU CG C 26.816 0.15 1 51 6 6 LEU N N 121.234 0.20 1 52 7 7 ILE H H 7.624 0.027 1 53 7 7 ILE HA H 3.320 0.027 1 54 7 7 ILE HB H 1.818 0.027 1 55 7 7 ILE HD1 H 0.791 0.027 1 56 7 7 ILE HG12 H 0.640 0.027 2 57 7 7 ILE HG13 H 1.645 0.027 2 58 7 7 ILE HG2 H 0.614 0.027 1 59 7 7 ILE CA C 65.370 0.15 1 60 7 7 ILE CB C 38.110 0.15 1 61 7 7 ILE CD1 C 14.908 0.15 1 62 7 7 ILE CG1 C 29.314 0.15 1 63 7 7 ILE CG2 C 17.353 0.15 1 64 7 7 ILE N N 122.421 0.20 1 65 8 8 ARG H H 7.840 0.027 1 66 8 8 ARG HA H 3.860 0.027 1 67 8 8 ARG HB2 H 1.907 0.027 2 68 8 8 ARG HB3 H 1.818 0.027 2 69 8 8 ARG HD2 H 3.019 0.027 2 70 8 8 ARG HD3 H 3.019 0.027 2 71 8 8 ARG HG2 H 1.914 0.027 2 72 8 8 ARG HG3 H 1.817 0.027 2 73 8 8 ARG CA C 59.966 0.15 1 74 8 8 ARG CB C 29.073 0.15 1 75 8 8 ARG CD C 43.316 0.15 1 76 8 8 ARG CG C 28.560 0.15 1 77 8 8 ARG N N 117.892 0.20 1 78 9 9 ALA H H 7.868 0.027 1 79 9 9 ALA HA H 3.926 0.027 1 80 9 9 ALA HB H 1.281 0.027 1 81 9 9 ALA CA C 54.710 0.15 1 82 9 9 ALA CB C 18.130 0.15 1 83 9 9 ALA N N 117.979 0.20 1 84 10 10 ALA H H 7.081 0.027 1 85 10 10 ALA HA H 3.932 0.027 1 86 10 10 ALA HB H 1.115 0.027 1 87 10 10 ALA C C 179.482 0.15 1 88 10 10 ALA CA C 54.685 0.15 1 89 10 10 ALA CB C 17.083 0.15 1 90 10 10 ALA N N 119.876 0.20 1 91 11 11 PHE H H 6.855 0.027 1 92 11 11 PHE HA H 3.768 0.027 1 93 11 11 PHE HB2 H 2.401 0.027 2 94 11 11 PHE HB3 H 2.486 0.027 2 95 11 11 PHE HD1 H 6.299 0.027 3 96 11 11 PHE HD2 H 6.299 0.027 3 97 11 11 PHE HE1 H 5.935 0.027 3 98 11 11 PHE HE2 H 5.935 0.027 3 99 11 11 PHE C C 177.464 0.15 1 100 11 11 PHE CA C 63.090 0.15 1 101 11 11 PHE CB C 40.101 0.15 1 102 11 11 PHE CD1 C 131.387 0.15 3 103 11 11 PHE CD2 C 131.350 0.15 3 104 11 11 PHE CE1 C 130.038 0.15 3 105 11 11 PHE CE2 C 130.040 0.15 3 106 11 11 PHE N N 114.672 0.20 1 107 12 12 GLU H H 8.983 0.027 1 108 12 12 GLU HA H 3.894 0.027 1 109 12 12 GLU HB2 H 1.504 0.027 2 110 12 12 GLU HB3 H 1.125 0.027 2 111 12 12 GLU HG2 H 1.591 0.027 2 112 12 12 GLU HG3 H 1.509 0.027 2 113 12 12 GLU C C 179.358 0.15 1 114 12 12 GLU CA C 59.685 0.15 1 115 12 12 GLU CB C 29.059 0.15 1 116 12 12 GLU CG C 35.044 0.15 1 117 12 12 GLU N N 118.995 0.20 1 118 13 13 LYS H H 7.966 0.027 1 119 13 13 LYS HA H 3.988 0.027 1 120 13 13 LYS HB2 H 1.839 0.027 2 121 13 13 LYS HB3 H 2.045 0.027 2 122 13 13 LYS HD2 H 1.684 0.027 2 123 13 13 LYS HD3 H 1.568 0.027 2 124 13 13 LYS HE2 H 2.887 0.027 2 125 13 13 LYS HE3 H 2.887 0.027 2 126 13 13 LYS HG2 H 1.389 0.027 2 127 13 13 LYS HG3 H 1.294 0.027 2 128 13 13 LYS C C 177.330 0.15 1 129 13 13 LYS CA C 59.252 0.15 1 130 13 13 LYS CB C 31.827 0.15 1 131 13 13 LYS CD C 28.653 0.15 1 132 13 13 LYS CE C 42.299 0.15 1 133 13 13 LYS CG C 24.724 0.15 1 134 13 13 LYS N N 120.329 0.20 1 135 14 14 ARG H H 7.004 0.027 1 136 14 14 ARG HA H 4.082 0.027 1 137 14 14 ARG HB2 H 1.728 0.027 2 138 14 14 ARG HB3 H 1.728 0.027 2 139 14 14 ARG HD2 H 2.980 0.027 2 140 14 14 ARG HD3 H 2.762 0.027 2 141 14 14 ARG HG2 H 1.507 0.027 2 142 14 14 ARG HG3 H 1.032 0.027 2 143 14 14 ARG C C 179.463 0.15 1 144 14 14 ARG CA C 59.500 0.15 1 145 14 14 ARG CB C 30.540 0.15 1 146 14 14 ARG CD C 43.571 0.15 1 147 14 14 ARG CG C 28.232 0.15 1 148 14 14 ARG N N 116.858 0.20 1 149 15 15 LEU H H 8.838 0.027 1 150 15 15 LEU HA H 4.474 0.027 1 151 15 15 LEU HB2 H 1.962 0.027 2 152 15 15 LEU HB3 H 2.373 0.027 2 153 15 15 LEU HD1 H 1.049 0.027 1 154 15 15 LEU HD2 H 1.161 0.027 1 155 15 15 LEU HG H 2.053 0.027 1 156 15 15 LEU C C 178.728 0.15 1 157 15 15 LEU CA C 58.177 0.15 1 158 15 15 LEU CB C 43.477 0.15 1 159 15 15 LEU CD1 C 27.304 0.15 2 160 15 15 LEU CD2 C 25.945 0.15 2 161 15 15 LEU CG C 27.108 0.15 1 162 15 15 LEU N N 117.021 0.20 1 163 16 16 SER H H 8.799 0.027 1 164 16 16 SER HA H 4.334 0.027 1 165 16 16 SER HB2 H 4.184 0.027 2 166 16 16 SER HB3 H 4.088 0.027 2 167 16 16 SER C C 176.896 0.15 1 168 16 16 SER CA C 62.424 0.15 1 169 16 16 SER CB C 63.006 0.15 1 170 16 16 SER N N 114.153 0.20 1 171 17 17 ASP H H 8.238 0.027 1 172 17 17 ASP HA H 4.347 0.027 1 173 17 17 ASP HB2 H 2.901 0.027 2 174 17 17 ASP HB3 H 2.601 0.027 2 175 17 17 ASP C C 178.793 0.15 1 176 17 17 ASP CA C 57.365 0.15 1 177 17 17 ASP CB C 39.846 0.15 1 178 17 17 ASP N N 120.574 0.20 1 179 18 18 TRP H H 7.221 0.027 1 180 18 18 TRP HA H 4.288 0.027 1 181 18 18 TRP HB2 H 3.470 0.027 2 182 18 18 TRP HB3 H 3.297 0.027 2 183 18 18 TRP HD1 H 7.247 0.027 1 184 18 18 TRP HE1 H 10.372 0.027 1 185 18 18 TRP HE3 H 7.954 0.027 1 186 18 18 TRP HH2 H 6.784 0.027 1 187 18 18 TRP HZ2 H 7.408 0.027 1 188 18 18 TRP HZ3 H 6.709 0.027 1 189 18 18 TRP C C 177.755 0.15 1 190 18 18 TRP CA C 60.388 0.15 1 191 18 18 TRP CB C 29.225 0.15 1 192 18 18 TRP CD1 C 127.633 0.15 1 193 18 18 TRP CE3 C 121.211 0.15 1 194 18 18 TRP CH2 C 122.933 0.15 1 195 18 18 TRP CZ2 C 113.395 0.15 1 196 18 18 TRP CZ3 C 120.310 0.15 1 197 18 18 TRP N N 120.452 0.20 1 198 18 18 TRP NE1 N 129.962 0.20 1 199 19 19 ALA H H 8.851 0.027 1 200 19 19 ALA HA H 2.810 0.027 1 201 19 19 ALA HB H 1.606 0.027 1 202 19 19 ALA C C 179.024 0.15 1 203 19 19 ALA CA C 55.379 0.15 1 204 19 19 ALA CB C 18.211 0.15 1 205 19 19 ALA N N 122.537 0.20 1 206 20 20 LYS H H 7.747 0.027 1 207 20 20 LYS HA H 4.148 0.027 1 208 20 20 LYS HB2 H 1.794 0.027 2 209 20 20 LYS HB3 H 1.897 0.027 2 210 20 20 LYS HD2 H 1.646 0.027 2 211 20 20 LYS HD3 H 1.646 0.027 2 212 20 20 LYS HE2 H 2.957 0.027 2 213 20 20 LYS HE3 H 2.957 0.027 2 214 20 20 LYS HG2 H 1.574 0.027 2 215 20 20 LYS HG3 H 1.486 0.027 2 216 20 20 LYS C C 177.273 0.15 1 217 20 20 LYS CA C 57.365 0.15 1 218 20 20 LYS CB C 32.712 0.15 1 219 20 20 LYS CD C 29.545 0.15 1 220 20 20 LYS CE C 42.091 0.15 1 221 20 20 LYS CG C 24.737 0.15 1 222 20 20 LYS N N 112.001 0.20 1 223 21 21 ALA H H 6.962 0.027 1 224 21 21 ALA HA H 4.309 0.027 1 225 21 21 ALA HB H 1.371 0.027 1 226 21 21 ALA C C 176.712 0.15 1 227 21 21 ALA CA C 51.716 0.15 1 228 21 21 ALA CB C 19.505 0.15 1 229 21 21 ALA N N 120.870 0.20 1 230 22 22 ARG H H 6.722 0.027 1 231 22 22 ARG HA H 3.913 0.027 1 232 22 22 ARG HB2 H 1.234 0.027 2 233 22 22 ARG HB3 H 1.177 0.027 2 234 22 22 ARG HD2 H 2.457 0.027 2 235 22 22 ARG HD3 H 1.951 0.027 2 236 22 22 ARG HG2 H 1.179 0.027 2 237 22 22 ARG HG3 H 1.179 0.027 2 238 22 22 ARG C C 173.916 0.15 1 239 22 22 ARG CA C 55.524 0.15 1 240 22 22 ARG CB C 30.803 0.15 1 241 22 22 ARG CD C 43.214 0.15 1 242 22 22 ARG CG C 27.125 0.15 1 243 22 22 ARG N N 121.054 0.20 1 244 23 23 THR H H 8.067 0.027 1 245 23 23 THR HA H 4.547 0.027 1 246 23 23 THR HB H 3.896 0.027 1 247 23 23 THR HG2 H 1.050 0.027 1 248 23 23 THR CA C 58.011 0.15 1 249 23 23 THR CB C 70.562 0.15 1 250 23 23 THR CG2 C 20.591 0.15 1 251 23 23 THR N N 115.637 0.20 1 252 24 24 PRO HA H 4.339 0.027 1 253 24 24 PRO HB2 H 2.318 0.027 2 254 24 24 PRO HB3 H 1.990 0.027 2 255 24 24 PRO HD2 H 3.494 0.027 2 256 24 24 PRO HD3 H 3.391 0.027 2 257 24 24 PRO HG2 H 1.896 0.027 2 258 24 24 PRO HG3 H 1.669 0.027 2 259 24 24 PRO CA C 63.255 0.15 1 260 24 24 PRO CB C 34.529 0.15 1 261 24 24 PRO CD C 49.743 0.15 1 262 24 24 PRO CG C 27.147 0.15 1 263 25 25 ALA H H 8.183 0.027 1 264 25 25 ALA HA H 4.057 0.027 1 265 25 25 ALA HB H 1.291 0.027 1 266 25 25 ALA CA C 52.639 0.15 1 267 25 25 ALA CB C 18.870 0.15 1 268 25 25 ALA N N 123.401 0.20 1 269 26 26 LEU H H 7.439 0.027 1 270 26 26 LEU HA H 4.943 0.027 1 271 26 26 LEU HB2 H 1.154 0.027 2 272 26 26 LEU HB3 H 1.380 0.027 2 273 26 26 LEU HD1 H 0.698 0.027 2 274 26 26 LEU HD2 H 0.707 0.027 2 275 26 26 LEU HG H 1.475 0.027 1 276 26 26 LEU CA C 50.871 0.15 1 277 26 26 LEU CB C 44.331 0.15 1 278 26 26 LEU CD1 C 24.256 0.15 2 279 26 26 LEU CD2 C 26.487 0.15 2 280 26 26 LEU CG C 26.705 0.15 1 281 26 26 LEU N N 121.816 0.20 1 282 27 27 PRO HA H 4.500 0.027 1 283 27 27 PRO HB2 H 1.913 0.027 2 284 27 27 PRO HB3 H 2.521 0.027 2 285 27 27 PRO HD2 H 3.585 0.027 2 286 27 27 PRO HD3 H 4.026 0.027 2 287 27 27 PRO HG2 H 1.903 0.027 2 288 27 27 PRO HG3 H 2.045 0.027 2 289 27 27 PRO CA C 62.442 0.15 1 290 27 27 PRO CB C 32.477 0.15 1 291 27 27 PRO CD C 50.835 0.15 1 292 27 27 PRO CG C 27.589 0.15 1 293 28 28 VAL H H 8.058 0.027 1 294 28 28 VAL HA H 4.519 0.027 1 295 28 28 VAL HB H 1.867 0.027 1 296 28 28 VAL HG1 H 0.816 0.027 1 297 28 28 VAL HG2 H 0.259 0.027 1 298 28 28 VAL CA C 60.690 0.15 1 299 28 28 VAL CB C 34.712 0.15 1 300 28 28 VAL CG1 C 21.119 0.15 2 301 28 28 VAL CG2 C 21.356 0.15 2 302 28 28 VAL N N 120.319 0.20 1 303 29 29 ALA H H 8.761 0.027 1 304 29 29 ALA HA H 4.199 0.027 1 305 29 29 ALA HB H 0.371 0.027 1 306 29 29 ALA CA C 50.007 0.15 1 307 29 29 ALA CB C 19.342 0.15 1 308 29 29 ALA N N 130.481 0.20 1 309 30 30 TRP H H 8.543 0.027 1 310 30 30 TRP HA H 4.607 0.027 1 311 30 30 TRP HB2 H 3.269 0.027 2 312 30 30 TRP HB3 H 2.888 0.027 2 313 30 30 TRP HD1 H 7.122 0.027 1 314 30 30 TRP HE1 H 10.167 0.027 1 315 30 30 TRP HE3 H 7.636 0.027 1 316 30 30 TRP HH2 H 6.878 0.027 1 317 30 30 TRP HZ2 H 7.243 0.027 1 318 30 30 TRP HZ3 H 6.873 0.027 1 319 30 30 TRP CA C 56.544 0.15 1 320 30 30 TRP CB C 30.894 0.15 1 321 30 30 TRP CD1 C 127.352 0.15 1 322 30 30 TRP CE3 C 121.294 0.15 1 323 30 30 TRP CH2 C 123.268 0.15 1 324 30 30 TRP CZ2 C 113.678 0.15 1 325 30 30 TRP CZ3 C 120.690 0.15 1 326 30 30 TRP N N 123.762 0.20 1 327 30 30 TRP NE1 N 129.292 0.20 1 328 31 31 GLN H H 8.981 0.027 1 329 31 31 GLN HA H 3.800 0.027 1 330 31 31 GLN HB2 H 2.145 0.027 2 331 31 31 GLN HB3 H 2.145 0.027 2 332 31 31 GLN HE21 H 7.669 0.027 2 333 31 31 GLN HE22 H 6.950 0.027 2 334 31 31 GLN HG2 H 2.392 0.027 2 335 31 31 GLN HG3 H 2.392 0.027 2 336 31 31 GLN C C 175.364 0.15 1 337 31 31 GLN CA C 57.235 0.15 1 338 31 31 GLN CB C 28.440 0.15 1 339 31 31 GLN CG C 34.095 0.15 1 340 31 31 GLN N N 122.820 0.20 1 341 31 31 GLN NE2 N 111.584 0.20 1 342 32 32 ASN H H 8.700 0.027 1 343 32 32 ASN HA H 4.693 0.027 1 344 32 32 ASN HB2 H 2.927 0.027 2 345 32 32 ASN HB3 H 2.976 0.027 2 346 32 32 ASN HD21 H 6.977 0.027 2 347 32 32 ASN HD22 H 7.659 0.027 2 348 32 32 ASN C C 175.063 0.15 1 349 32 32 ASN CA C 53.749 0.15 1 350 32 32 ASN CB C 37.968 0.15 1 351 32 32 ASN N N 117.077 0.20 1 352 32 32 ASN ND2 N 113.452 0.20 1 353 33 33 THR H H 7.708 0.027 1 354 33 33 THR HA H 4.336 0.027 1 355 33 33 THR HB H 4.187 0.027 1 356 33 33 THR HG2 H 1.326 0.027 1 357 33 33 THR C C 174.307 0.15 1 358 33 33 THR CA C 62.269 0.15 1 359 33 33 THR CB C 70.651 0.15 1 360 33 33 THR CG2 C 21.701 0.15 1 361 33 33 THR N N 113.605 0.20 1 362 34 34 LYS H H 8.634 0.027 1 363 34 34 LYS HA H 4.244 0.027 1 364 34 34 LYS HB2 H 1.754 0.027 2 365 34 34 LYS HB3 H 1.754 0.027 2 366 34 34 LYS HD2 H 1.622 0.027 2 367 34 34 LYS HD3 H 1.622 0.027 2 368 34 34 LYS HE2 H 2.921 0.027 2 369 34 34 LYS HE3 H 2.921 0.027 2 370 34 34 LYS HG2 H 1.430 0.027 2 371 34 34 LYS HG3 H 1.340 0.027 2 372 34 34 LYS C C 175.732 0.15 1 373 34 34 LYS CA C 57.038 0.15 1 374 34 34 LYS CB C 31.929 0.15 1 375 34 34 LYS CD C 29.069 0.15 1 376 34 34 LYS CE C 42.117 0.15 1 377 34 34 LYS CG C 24.674 0.15 1 378 34 34 LYS N N 125.945 0.20 1 379 35 35 PHE H H 8.368 0.027 1 380 35 35 PHE HA H 4.649 0.027 1 381 35 35 PHE HB2 H 3.048 0.027 2 382 35 35 PHE HB3 H 2.640 0.027 2 383 35 35 PHE HD1 H 6.934 0.027 3 384 35 35 PHE HD2 H 6.934 0.027 3 385 35 35 PHE HE1 H 6.677 0.027 3 386 35 35 PHE HE2 H 6.677 0.027 3 387 35 35 PHE C C 173.928 0.15 1 388 35 35 PHE CA C 57.441 0.15 1 389 35 35 PHE CB C 42.224 0.15 1 390 35 35 PHE CD1 C 131.543 0.15 3 391 35 35 PHE CD2 C 131.540 0.15 3 392 35 35 PHE CE1 C 130.947 0.15 3 393 35 35 PHE CE2 C 130.950 0.15 3 394 35 35 PHE N N 126.051 0.20 1 395 36 36 THR H H 7.864 0.027 1 396 36 36 THR HA H 4.329 0.027 1 397 36 36 THR HB H 3.604 0.027 1 398 36 36 THR HG2 H 0.970 0.027 1 399 36 36 THR CA C 58.689 0.15 1 400 36 36 THR CB C 69.890 0.15 1 401 36 36 THR CG2 C 20.939 0.15 1 402 36 36 THR N N 125.471 0.20 1 403 37 37 PRO HB2 H 2.304 0.027 2 404 37 37 PRO HB3 H 2.304 0.027 2 405 37 37 PRO HD2 H 3.458 0.027 2 406 37 37 PRO HD3 H 3.342 0.027 2 407 37 37 PRO HG2 H 1.908 0.027 2 408 37 37 PRO HG3 H 1.699 0.027 2 409 37 37 PRO CB C 34.221 0.15 1 410 37 37 PRO CD C 49.400 0.15 1 411 37 37 PRO CG C 24.835 0.15 1 412 38 38 PRO HA H 4.293 0.027 1 413 38 38 PRO HB2 H 2.165 0.027 2 414 38 38 PRO HD2 H 3.329 0.027 2 415 38 38 PRO HD3 H 3.264 0.027 2 416 38 38 PRO HG2 H 1.837 0.027 2 417 38 38 PRO C C 176.522 0.15 1 418 38 38 PRO CA C 61.879 0.15 1 419 38 38 PRO CB C 31.780 0.15 1 420 38 38 PRO CD C 49.397 0.15 1 421 38 38 PRO CG C 27.037 0.15 1 422 39 39 ALA H H 8.384 0.027 1 423 39 39 ALA HA H 4.024 0.027 1 424 39 39 ALA HB H 1.316 0.027 1 425 39 39 ALA C C 177.330 0.15 1 426 39 39 ALA CA C 53.533 0.15 1 427 39 39 ALA CB C 18.621 0.15 1 428 39 39 ALA N N 123.843 0.20 1 429 40 40 ALA H H 7.963 0.027 1 430 40 40 ALA HA H 4.413 0.027 1 431 40 40 ALA HB H 1.314 0.027 1 432 40 40 ALA C C 177.069 0.15 1 433 40 40 ALA CA C 51.561 0.15 1 434 40 40 ALA CB C 20.339 0.15 1 435 40 40 ALA N N 118.737 0.20 1 436 41 41 GLY H H 8.049 0.027 1 437 41 41 GLY HA2 H 4.060 0.027 2 438 41 41 GLY HA3 H 4.022 0.027 2 439 41 41 GLY C C 172.400 0.15 1 440 41 41 GLY CA C 44.689 0.15 1 441 41 41 GLY N N 106.289 0.20 1 442 42 42 VAL H H 7.899 0.027 1 443 42 42 VAL HA H 4.631 0.027 1 444 42 42 VAL HB H 1.852 0.027 1 445 42 42 VAL HG1 H 0.958 0.027 1 446 42 42 VAL HG2 H 0.783 0.027 1 447 42 42 VAL C C 175.456 0.15 1 448 42 42 VAL CA C 61.657 0.15 1 449 42 42 VAL CB C 32.916 0.15 1 450 42 42 VAL CG1 C 22.571 0.15 2 451 42 42 VAL CG2 C 21.533 0.15 2 452 42 42 VAL N N 119.332 0.20 1 453 43 43 TYR H H 8.412 0.027 1 454 43 43 TYR HA H 4.867 0.027 1 455 43 43 TYR HB2 H 2.944 0.027 2 456 43 43 TYR HB3 H 3.040 0.027 2 457 43 43 TYR HD1 H 6.872 0.027 3 458 43 43 TYR HD2 H 6.872 0.027 3 459 43 43 TYR HE1 H 6.609 0.027 3 460 43 43 TYR HE2 H 6.609 0.027 3 461 43 43 TYR C C 171.017 0.15 1 462 43 43 TYR CA C 56.162 0.15 1 463 43 43 TYR CB C 40.671 0.15 1 464 43 43 TYR CD1 C 134.278 0.15 3 465 43 43 TYR CD2 C 134.280 0.15 3 466 43 43 TYR CE1 C 117.799 0.15 3 467 43 43 TYR CE2 C 117.800 0.15 3 468 43 43 TYR N N 119.313 0.20 1 469 44 44 LEU H H 8.455 0.027 1 470 44 44 LEU HA H 5.420 0.027 1 471 44 44 LEU HB2 H 1.760 0.027 2 472 44 44 LEU HB3 H 1.067 0.027 2 473 44 44 LEU HD1 H 0.807 0.027 1 474 44 44 LEU HD2 H 0.974 0.027 1 475 44 44 LEU HG H 1.624 0.027 1 476 44 44 LEU C C 176.000 0.15 1 477 44 44 LEU CA C 52.258 0.15 1 478 44 44 LEU CB C 44.334 0.15 1 479 44 44 LEU CD1 C 24.910 0.15 2 480 44 44 LEU CD2 C 25.754 0.15 2 481 44 44 LEU CG C 27.384 0.15 1 482 44 44 LEU N N 116.540 0.20 1 483 45 45 ARG H H 8.585 0.027 1 484 45 45 ARG HA H 4.872 0.027 1 485 45 45 ARG HB2 H 1.439 0.027 2 486 45 45 ARG HB3 H 1.574 0.027 2 487 45 45 ARG HD2 H 3.151 0.027 2 488 45 45 ARG HD3 H 3.151 0.027 2 489 45 45 ARG HG2 H 1.259 0.027 2 490 45 45 ARG HG3 H 1.353 0.027 2 491 45 45 ARG C C 173.994 0.15 1 492 45 45 ARG CA C 54.626 0.15 1 493 45 45 ARG CB C 32.588 0.15 1 494 45 45 ARG CD C 43.371 0.15 1 495 45 45 ARG CG C 27.781 0.15 1 496 45 45 ARG N N 120.583 0.20 1 497 46 46 ALA H H 7.705 0.027 1 498 46 46 ALA HA H 4.838 0.027 1 499 46 46 ALA HB H 0.056 0.027 1 500 46 46 ALA C C 174.957 0.15 1 501 46 46 ALA CA C 50.100 0.15 1 502 46 46 ALA CB C 21.290 0.15 1 503 46 46 ALA N N 127.507 0.20 1 504 47 47 TYR H H 8.798 0.027 1 505 47 47 TYR HA H 4.632 0.027 1 506 47 47 TYR HB2 H 2.547 0.027 2 507 47 47 TYR HB3 H 2.818 0.027 2 508 47 47 TYR HD1 H 6.768 0.027 3 509 47 47 TYR HD2 H 6.768 0.027 3 510 47 47 TYR HE1 H 6.478 0.027 3 511 47 47 TYR HE2 H 6.478 0.027 3 512 47 47 TYR C C 174.330 0.15 1 513 47 47 TYR CA C 56.883 0.15 1 514 47 47 TYR CB C 42.286 0.15 1 515 47 47 TYR CD1 C 133.151 0.15 3 516 47 47 TYR CD2 C 133.155 0.15 3 517 47 47 TYR CE1 C 117.848 0.15 3 518 47 47 TYR CE2 C 117.848 0.15 3 519 47 47 TYR N N 117.713 0.20 1 520 48 48 VAL H H 8.920 0.027 1 521 48 48 VAL HA H 4.549 0.027 1 522 48 48 VAL HB H 2.193 0.027 1 523 48 48 VAL HG1 H 1.077 0.027 1 524 48 48 VAL HG2 H 0.870 0.027 1 525 48 48 VAL C C 175.620 0.15 1 526 48 48 VAL CA C 62.110 0.15 1 527 48 48 VAL CB C 32.772 0.15 1 528 48 48 VAL CG1 C 22.116 0.15 2 529 48 48 VAL CG2 C 22.247 0.15 2 530 48 48 VAL N N 122.127 0.20 1 531 49 49 MET H H 9.084 0.027 1 532 49 49 MET HA H 4.966 0.027 1 533 49 49 MET HB2 H 2.382 0.027 2 534 49 49 MET HB3 H 2.335 0.027 2 535 49 49 MET HE H 1.806 0.027 1 536 49 49 MET HG2 H 1.992 0.027 2 537 49 49 MET HG3 H 2.128 0.027 2 538 49 49 MET CA C 52.762 0.15 1 539 49 49 MET CB C 31.914 0.15 1 540 49 49 MET CE C 17.158 0.15 1 541 49 49 MET CG C 32.892 0.15 1 542 49 49 MET N N 127.147 0.20 1 543 50 50 PRO HA H 4.551 0.027 1 544 50 50 PRO HB2 H 2.365 0.027 2 545 50 50 PRO HB3 H 2.182 0.027 2 546 50 50 PRO HD2 H 3.824 0.027 2 547 50 50 PRO HD3 H 3.774 0.027 2 548 50 50 PRO HG2 H 1.952 0.027 2 549 50 50 PRO HG3 H 2.060 0.027 2 550 50 50 PRO C C 176.453 0.15 1 551 50 50 PRO CA C 62.880 0.15 1 552 50 50 PRO CB C 32.387 0.15 1 553 50 50 PRO CD C 50.994 0.15 1 554 50 50 PRO CG C 27.311 0.15 1 555 51 51 ALA H H 8.516 0.027 1 556 51 51 ALA HA H 4.324 0.027 1 557 51 51 ALA HB H 1.230 0.027 1 558 51 51 ALA C C 177.206 0.15 1 559 51 51 ALA CA C 51.807 0.15 1 560 51 51 ALA CB C 19.490 0.15 1 561 51 51 ALA N N 125.667 0.20 1 562 52 52 ALA H H 8.364 0.027 1 563 52 52 ALA HA H 4.410 0.027 1 564 52 52 ALA HB H 1.335 0.027 1 565 52 52 ALA C C 177.518 0.15 1 566 52 52 ALA CA C 52.129 0.15 1 567 52 52 ALA CB C 20.066 0.15 1 568 52 52 ALA N N 123.686 0.20 1 569 53 53 THR H H 8.161 0.027 1 570 53 53 THR HA H 4.309 0.027 1 571 53 53 THR HB H 3.991 0.027 1 572 53 53 THR HG2 H 1.024 0.027 1 573 53 53 THR C C 174.417 0.15 1 574 53 53 THR CA C 61.536 0.15 1 575 53 53 THR CB C 69.882 0.15 1 576 53 53 THR CG2 C 21.505 0.15 1 577 53 53 THR N N 114.415 0.20 1 578 54 54 ILE H H 8.182 0.027 1 579 54 54 ILE HA H 4.208 0.027 1 580 54 54 ILE HB H 1.770 0.027 1 581 54 54 ILE HD1 H 0.699 0.027 1 582 54 54 ILE HG12 H 1.328 0.027 2 583 54 54 ILE HG13 H 1.014 0.027 2 584 54 54 ILE HG2 H 1.332 0.027 1 585 54 54 ILE C C 175.951 0.15 1 586 54 54 ILE CA C 60.771 0.15 1 587 54 54 ILE CB C 38.976 0.15 1 588 54 54 ILE CD1 C 12.954 0.15 1 589 54 54 ILE CG1 C 27.068 0.15 1 590 54 54 ILE CG2 C 18.993 0.15 1 591 54 54 ILE N N 122.920 0.20 1 592 55 55 SER H H 8.282 0.027 1 593 55 55 SER HA H 4.416 0.027 1 594 55 55 SER HB2 H 3.805 0.027 2 595 55 55 SER HB3 H 3.752 0.027 2 596 55 55 SER C C 174.511 0.15 1 597 55 55 SER CA C 57.986 0.15 1 598 55 55 SER CB C 63.916 0.15 1 599 55 55 SER N N 119.593 0.20 1 600 56 56 ARG H H 8.450 0.027 1 601 56 56 ARG HA H 4.268 0.027 1 602 56 56 ARG HB2 H 1.691 0.027 2 603 56 56 ARG HB3 H 1.779 0.027 2 604 56 56 ARG HD2 H 3.096 0.027 2 605 56 56 ARG HD3 H 3.096 0.027 2 606 56 56 ARG HG2 H 1.535 0.027 2 607 56 56 ARG HG3 H 1.617 0.027 2 608 56 56 ARG C C 176.038 0.15 1 609 56 56 ARG CA C 56.630 0.15 1 610 56 56 ARG CB C 30.683 0.15 1 611 56 56 ARG CD C 43.355 0.15 1 612 56 56 ARG CG C 27.011 0.15 1 613 56 56 ARG N N 123.077 0.20 1 614 57 57 ASP H H 8.229 0.027 1 615 57 57 ASP HA H 4.523 0.027 1 616 57 57 ASP HB2 H 2.642 0.027 2 617 57 57 ASP HB3 H 2.732 0.027 2 618 57 57 ASP C C 176.125 0.15 1 619 57 57 ASP CA C 54.151 0.15 1 620 57 57 ASP CB C 41.062 0.15 1 621 57 57 ASP N N 120.297 0.20 1 622 58 58 ALA H H 8.062 0.027 1 623 58 58 ALA HA H 4.193 0.027 1 624 58 58 ALA HB H 1.328 0.027 1 625 58 58 ALA C C 177.651 0.15 1 626 58 58 ALA CA C 52.911 0.15 1 627 58 58 ALA CB C 18.954 0.15 1 628 58 58 ALA N N 123.700 0.20 1 629 59 59 ALA H H 8.145 0.027 1 630 59 59 ALA HA H 4.255 0.027 1 631 59 59 ALA HB H 1.332 0.027 1 632 59 59 ALA CA C 52.473 0.15 1 633 59 59 ALA CB C 19.014 0.15 1 634 59 59 ALA N N 121.618 0.20 1 635 60 60 GLY H H 8.120 0.027 1 636 60 60 GLY HA2 H 3.774 0.027 2 637 60 60 GLY HA3 H 3.927 0.027 2 638 60 60 GLY C C 173.701 0.15 1 639 60 60 GLY CA C 45.285 0.15 1 640 60 60 GLY N N 107.640 0.20 1 641 61 61 ASP H H 8.115 0.027 1 642 61 61 ASP HA H 4.514 0.027 1 643 61 61 ASP HB2 H 2.538 0.027 2 644 61 61 ASP HB3 H 2.587 0.027 2 645 61 61 ASP C C 176.331 0.15 1 646 61 61 ASP CA C 53.981 0.15 1 647 61 61 ASP CB C 41.094 0.15 1 648 61 61 ASP N N 119.947 0.20 1 649 62 62 HIS H H 8.403 0.027 1 650 62 62 HIS HA H 4.595 0.027 1 651 62 62 HIS HB2 H 3.210 0.027 2 652 62 62 HIS HB3 H 3.079 0.027 2 653 62 62 HIS HD2 H 7.097 0.027 1 654 62 62 HIS C C 174.868 0.15 1 655 62 62 HIS CA C 55.491 0.15 1 656 62 62 HIS CB C 28.789 0.15 1 657 62 62 HIS CD2 C 119.995 0.15 1 658 62 62 HIS N N 119.035 0.20 1 659 63 63 ARG H H 8.268 0.027 1 660 63 63 ARG HA H 4.282 0.027 1 661 63 63 ARG HB2 H 1.850 0.027 2 662 63 63 ARG HB3 H 1.619 0.027 2 663 63 63 ARG HD2 H 2.596 0.027 2 664 63 63 ARG HD3 H 2.901 0.027 2 665 63 63 ARG HG2 H 1.413 0.027 2 666 63 63 ARG HG3 H 1.860 0.027 2 667 63 63 ARG C C 175.615 0.15 1 668 63 63 ARG CA C 56.463 0.15 1 669 63 63 ARG CB C 30.740 0.15 1 670 63 63 ARG CD C 40.079 0.15 1 671 63 63 ARG CG C 27.187 0.15 1 672 63 63 ARG N N 121.116 0.20 1 673 64 64 GLN H H 8.097 0.027 1 674 64 64 GLN HA H 4.537 0.027 1 675 64 64 GLN HB2 H 1.848 0.027 2 676 64 64 GLN HB3 H 1.946 0.027 2 677 64 64 GLN HE21 H 7.460 0.027 2 678 64 64 GLN HE22 H 6.773 0.027 2 679 64 64 GLN HG2 H 2.202 0.027 2 680 64 64 GLN HG3 H 2.202 0.027 2 681 64 64 GLN C C 175.083 0.15 1 682 64 64 GLN CA C 55.268 0.15 1 683 64 64 GLN CB C 30.515 0.15 1 684 64 64 GLN CG C 33.922 0.15 1 685 64 64 GLN N N 119.817 0.20 1 686 64 64 GLN NE2 N 112.013 0.20 1 687 65 65 TYR H H 8.670 0.027 1 688 65 65 TYR HA H 4.722 0.027 1 689 65 65 TYR HB2 H 3.056 0.027 2 690 65 65 TYR HB3 H 2.875 0.027 2 691 65 65 TYR HD1 H 7.039 0.027 3 692 65 65 TYR HD2 H 7.039 0.027 3 693 65 65 TYR HE1 H 6.744 0.027 3 694 65 65 TYR HE2 H 6.744 0.027 3 695 65 65 TYR C C 174.520 0.15 1 696 65 65 TYR CA C 57.818 0.15 1 697 65 65 TYR CB C 39.679 0.15 1 698 65 65 TYR CD1 C 133.100 0.15 3 699 65 65 TYR CD2 C 133.100 0.15 3 700 65 65 TYR CE1 C 118.122 0.15 3 701 65 65 TYR CE2 C 118.122 0.15 3 702 65 65 TYR N N 122.719 0.20 1 703 66 66 ARG H H 8.180 0.027 1 704 66 66 ARG HA H 4.977 0.027 1 705 66 66 ARG HB2 H 1.690 0.027 2 706 66 66 ARG HB3 H 1.866 0.027 2 707 66 66 ARG HD2 H 3.025 0.027 2 708 66 66 ARG HD3 H 3.025 0.027 2 709 66 66 ARG HG2 H 1.606 0.027 2 710 66 66 ARG HG3 H 1.489 0.027 2 711 66 66 ARG C C 175.313 0.15 1 712 66 66 ARG CA C 54.544 0.15 1 713 66 66 ARG CB C 34.148 0.15 1 714 66 66 ARG CD C 43.705 0.15 1 715 66 66 ARG CG C 27.057 0.15 1 716 66 66 ARG N N 119.608 0.20 1 717 67 67 GLY H H 7.243 0.027 1 718 67 67 GLY HA2 H 3.573 0.027 2 719 67 67 GLY HA3 H 4.076 0.027 2 720 67 67 GLY C C 171.455 0.15 1 721 67 67 GLY CA C 45.483 0.15 1 722 67 67 GLY N N 107.142 0.20 1 723 68 68 VAL H H 8.028 0.027 1 724 68 68 VAL HA H 4.870 0.027 1 725 68 68 VAL HB H 1.775 0.027 1 726 68 68 VAL HG1 H 0.796 0.027 1 727 68 68 VAL HG2 H 0.814 0.027 1 728 68 68 VAL C C 174.212 0.15 1 729 68 68 VAL CA C 60.738 0.15 1 730 68 68 VAL CB C 36.212 0.15 1 731 68 68 VAL CG1 C 21.275 0.15 2 732 68 68 VAL CG2 C 21.464 0.15 2 733 68 68 VAL N N 121.075 0.20 1 734 69 69 PHE H H 8.887 0.027 1 735 69 69 PHE HA H 5.216 0.027 1 736 69 69 PHE HB2 H 2.234 0.027 2 737 69 69 PHE HB3 H 1.810 0.027 2 738 69 69 PHE HD1 H 6.441 0.027 3 739 69 69 PHE HD2 H 6.441 0.027 3 740 69 69 PHE C C 172.153 0.15 1 741 69 69 PHE CA C 54.278 0.15 1 742 69 69 PHE CB C 40.656 0.15 1 743 69 69 PHE CD1 C 131.449 0.15 3 744 69 69 PHE CD2 C 131.449 0.15 3 745 69 69 PHE N N 128.152 0.20 1 746 70 70 GLN H H 8.524 0.027 1 747 70 70 GLN HA H 4.718 0.027 1 748 70 70 GLN HB2 H 1.627 0.027 2 749 70 70 GLN HB3 H 1.495 0.027 2 750 70 70 GLN HE21 H 6.345 0.027 2 751 70 70 GLN HE22 H 7.654 0.027 2 752 70 70 GLN HG2 H 1.900 0.027 2 753 70 70 GLN HG3 H 1.610 0.027 2 754 70 70 GLN CA C 53.398 0.15 1 755 70 70 GLN CB C 33.142 0.15 1 756 70 70 GLN CG C 32.390 0.15 1 757 70 70 GLN N N 127.855 0.20 1 758 70 70 GLN NE2 N 111.788 0.20 1 759 71 71 VAL H H 8.952 0.027 1 760 71 71 VAL HA H 4.152 0.027 1 761 71 71 VAL HB H 1.428 0.027 1 762 71 71 VAL HG1 H 0.526 0.027 1 763 71 71 VAL HG2 H 0.162 0.027 1 764 71 71 VAL C C 173.445 0.15 1 765 71 71 VAL CA C 60.132 0.15 1 766 71 71 VAL CB C 34.168 0.15 1 767 71 71 VAL CG1 C 22.710 0.15 2 768 71 71 VAL CG2 C 22.161 0.15 2 769 71 71 VAL N N 124.223 0.20 1 770 72 72 ASN H H 9.194 0.027 1 771 72 72 ASN HA H 5.058 0.027 1 772 72 72 ASN HB2 H 2.063 0.027 2 773 72 72 ASN HB3 H 2.607 0.027 2 774 72 72 ASN HD21 H 6.999 0.027 2 775 72 72 ASN HD22 H 6.615 0.027 2 776 72 72 ASN C C 174.218 0.15 1 777 72 72 ASN CA C 51.045 0.15 1 778 72 72 ASN CB C 38.771 0.15 1 779 72 72 ASN N N 125.660 0.20 1 780 72 72 ASN ND2 N 108.605 0.20 1 781 73 73 VAL H H 8.729 0.027 1 782 73 73 VAL HA H 3.922 0.027 1 783 73 73 VAL HB H 2.113 0.027 1 784 73 73 VAL HG1 H 0.788 0.027 1 785 73 73 VAL HG2 H 0.658 0.027 1 786 73 73 VAL C C 174.110 0.15 1 787 73 73 VAL CA C 62.098 0.15 1 788 73 73 VAL CB C 31.264 0.15 1 789 73 73 VAL CG1 C 20.925 0.15 2 790 73 73 VAL CG2 C 21.293 0.15 2 791 73 73 VAL N N 125.574 0.20 1 792 74 74 VAL H H 8.639 0.027 1 793 74 74 VAL HA H 4.161 0.027 1 794 74 74 VAL HB H 0.547 0.027 1 795 74 74 VAL HG1 H 0.540 0.027 1 796 74 74 VAL HG2 H 0.345 0.027 1 797 74 74 VAL C C 175.017 0.15 1 798 74 74 VAL CA C 62.416 0.15 1 799 74 74 VAL CB C 30.828 0.15 1 800 74 74 VAL CG1 C 21.635 0.15 2 801 74 74 VAL CG2 C 19.811 0.15 2 802 74 74 VAL N N 129.643 0.20 1 803 75 75 MET H H 8.734 0.027 1 804 75 75 MET HA H 4.951 0.027 1 805 75 75 MET HB2 H 2.495 0.027 2 806 75 75 MET HB3 H 2.369 0.027 2 807 75 75 MET HE H 1.903 0.027 1 808 75 75 MET HG2 H 1.989 0.027 2 809 75 75 MET HG3 H 1.989 0.027 2 810 75 75 MET CA C 52.430 0.15 1 811 75 75 MET CB C 31.518 0.15 1 812 75 75 MET CE C 17.033 0.15 1 813 75 75 MET CG C 34.751 0.15 1 814 75 75 MET N N 124.598 0.20 1 815 76 76 PRO HA H 4.593 0.027 1 816 76 76 PRO HB2 H 1.820 0.027 2 817 76 76 PRO HB3 H 2.392 0.027 2 818 76 76 PRO HD2 H 3.542 0.027 2 819 76 76 PRO HD3 H 3.703 0.027 2 820 76 76 PRO HG2 H 1.937 0.027 2 821 76 76 PRO C C 177.722 0.15 1 822 76 76 PRO CA C 62.406 0.15 1 823 76 76 PRO CB C 31.958 0.15 1 824 76 76 PRO CD C 50.515 0.15 1 825 76 76 PRO CG C 27.417 0.15 1 826 77 77 ILE H H 7.956 0.027 1 827 77 77 ILE HA H 3.706 0.027 1 828 77 77 ILE HB H 1.527 0.027 1 829 77 77 ILE HD1 H 0.692 0.027 1 830 77 77 ILE HG12 H 1.239 0.027 2 831 77 77 ILE HG13 H 0.952 0.027 2 832 77 77 ILE HG2 H 0.783 0.027 1 833 77 77 ILE C C 177.144 0.15 1 834 77 77 ILE CA C 62.843 0.15 1 835 77 77 ILE CB C 38.000 0.15 1 836 77 77 ILE CD1 C 12.925 0.15 1 837 77 77 ILE CG1 C 28.415 0.15 1 838 77 77 ILE CG2 C 17.137 0.15 1 839 77 77 ILE N N 121.949 0.20 1 840 78 78 GLY H H 8.678 0.027 1 841 78 78 GLY HA2 H 3.766 0.027 2 842 78 78 GLY HA3 H 3.966 0.027 2 843 78 78 GLY C C 174.268 0.15 1 844 78 78 GLY CA C 45.205 0.15 1 845 78 78 GLY N N 112.608 0.20 1 846 79 79 ASP H H 7.677 0.027 1 847 79 79 ASP HA H 4.530 0.027 1 848 79 79 ASP HB2 H 2.629 0.027 2 849 79 79 ASP HB3 H 2.742 0.027 2 850 79 79 ASP C C 176.966 0.15 1 851 79 79 ASP CA C 54.696 0.15 1 852 79 79 ASP CB C 42.157 0.15 1 853 79 79 ASP N N 120.493 0.20 1 854 80 80 GLY H H 8.519 0.027 1 855 80 80 GLY HA2 H 3.804 0.027 2 856 80 80 GLY HA3 H 4.184 0.027 2 857 80 80 GLY C C 175.108 0.15 1 858 80 80 GLY CA C 45.430 0.15 1 859 80 80 GLY N N 112.143 0.20 1 860 81 81 SER H H 8.451 0.027 1 861 81 81 SER HA H 4.401 0.027 1 862 81 81 SER HB2 H 3.967 0.027 2 863 81 81 SER HB3 H 3.896 0.027 2 864 81 81 SER C C 175.259 0.15 1 865 81 81 SER CA C 59.422 0.15 1 866 81 81 SER CB C 64.196 0.15 1 867 81 81 SER N N 116.164 0.20 1 868 82 82 ARG H H 8.504 0.027 1 869 82 82 ARG HA H 4.303 0.027 1 870 82 82 ARG HB2 H 1.820 0.027 2 871 82 82 ARG HB3 H 1.975 0.027 2 872 82 82 ARG HD2 H 3.147 0.027 2 873 82 82 ARG HD3 H 3.020 0.027 2 874 82 82 ARG HG2 H 1.615 0.027 2 875 82 82 ARG HG3 H 1.550 0.027 2 876 82 82 ARG CA C 57.026 0.15 1 877 82 82 ARG CB C 28.836 0.15 1 878 82 82 ARG CD C 43.360 0.15 1 879 82 82 ARG CG C 27.166 0.15 1 880 82 82 ARG N N 121.082 0.20 1 881 83 83 SER H H 8.167 0.027 1 882 83 83 SER HA H 4.233 0.027 1 883 83 83 SER HB2 H 3.820 0.027 2 884 83 83 SER HB3 H 3.688 0.027 2 885 83 83 SER C C 175.796 0.15 1 886 83 83 SER CA C 62.066 0.15 1 887 83 83 SER CB C 63.270 0.15 1 888 83 83 SER N N 114.468 0.20 1 889 84 84 ALA H H 8.204 0.027 1 890 84 84 ALA HA H 3.969 0.027 1 891 84 84 ALA HB H 1.328 0.027 1 892 84 84 ALA C C 179.027 0.15 1 893 84 84 ALA CA C 55.345 0.15 1 894 84 84 ALA CB C 18.189 0.15 1 895 84 84 ALA N N 122.803 0.20 1 896 85 85 GLU H H 8.260 0.027 1 897 85 85 GLU HA H 3.912 0.027 1 898 85 85 GLU HB2 H 2.136 0.027 2 899 85 85 GLU HB3 H 1.993 0.027 2 900 85 85 GLU HG2 H 2.267 0.027 2 901 85 85 GLU HG3 H 2.341 0.027 2 902 85 85 GLU C C 179.477 0.15 1 903 85 85 GLU CA C 59.810 0.15 1 904 85 85 GLU CB C 29.040 0.15 1 905 85 85 GLU CG C 36.824 0.15 1 906 85 85 GLU N N 118.695 0.20 1 907 86 86 GLN H H 7.882 0.027 1 908 86 86 GLN HA H 4.142 0.027 1 909 86 86 GLN HB2 H 2.206 0.027 2 910 86 86 GLN HB3 H 2.135 0.027 2 911 86 86 GLN HE21 H 6.833 0.027 2 912 86 86 GLN HE22 H 7.684 0.027 2 913 86 86 GLN HG2 H 2.404 0.027 2 914 86 86 GLN HG3 H 2.484 0.027 2 915 86 86 GLN C C 178.233 0.15 1 916 86 86 GLN CA C 58.673 0.15 1 917 86 86 GLN CB C 28.340 0.15 1 918 86 86 GLN CG C 33.599 0.15 1 919 86 86 GLN N N 120.071 0.20 1 920 86 86 GLN NE2 N 112.300 0.20 1 921 87 87 VAL H H 8.174 0.027 1 922 87 87 VAL HA H 3.718 0.027 1 923 87 87 VAL HB H 2.050 0.027 1 924 87 87 VAL HG1 H 1.043 0.027 1 925 87 87 VAL HG2 H 0.870 0.027 1 926 87 87 VAL C C 177.647 0.15 1 927 87 87 VAL CA C 66.824 0.15 1 928 87 87 VAL CB C 31.482 0.15 1 929 87 87 VAL CG1 C 23.436 0.15 2 930 87 87 VAL CG2 C 22.057 0.15 2 931 87 87 VAL N N 118.987 0.20 1 932 88 88 ALA H H 8.210 0.027 1 933 88 88 ALA HA H 3.757 0.027 1 934 88 88 ALA HB H 1.387 0.027 1 935 88 88 ALA C C 179.064 0.15 1 936 88 88 ALA CA C 56.164 0.15 1 937 88 88 ALA CB C 17.828 0.15 1 938 88 88 ALA N N 120.821 0.20 1 939 89 89 ALA H H 7.427 0.027 1 940 89 89 ALA HA H 4.155 0.027 1 941 89 89 ALA HB H 1.520 0.027 1 942 89 89 ALA C C 181.496 0.15 1 943 89 89 ALA CA C 54.925 0.15 1 944 89 89 ALA CB C 17.831 0.15 1 945 89 89 ALA N N 119.241 0.20 1 946 90 90 GLU H H 8.109 0.027 1 947 90 90 GLU HA H 3.998 0.027 1 948 90 90 GLU HB2 H 2.277 0.027 2 949 90 90 GLU HB3 H 2.373 0.027 2 950 90 90 GLU HG2 H 2.742 0.027 2 951 90 90 GLU HG3 H 2.359 0.027 2 952 90 90 GLU C C 180.185 0.15 1 953 90 90 GLU CA C 59.424 0.15 1 954 90 90 GLU CB C 30.227 0.15 1 955 90 90 GLU CG C 37.384 0.15 1 956 90 90 GLU N N 119.694 0.20 1 957 91 91 LEU H H 8.696 0.027 1 958 91 91 LEU HA H 3.691 0.027 1 959 91 91 LEU HB2 H 1.831 0.027 2 960 91 91 LEU HB3 H 1.091 0.027 2 961 91 91 LEU HD1 H 0.492 0.027 1 962 91 91 LEU HD2 H 0.090 0.027 1 963 91 91 LEU HG H 1.537 0.027 1 964 91 91 LEU C C 178.281 0.15 1 965 91 91 LEU CA C 57.388 0.15 1 966 91 91 LEU CB C 41.410 0.15 1 967 91 91 LEU CD1 C 26.392 0.15 2 968 91 91 LEU CD2 C 22.698 0.15 2 969 91 91 LEU CG C 26.530 0.15 1 970 91 91 LEU N N 120.316 0.20 1 971 92 92 ASP H H 7.979 0.027 1 972 92 92 ASP HA H 4.293 0.027 1 973 92 92 ASP HB2 H 2.678 0.027 2 974 92 92 ASP HB3 H 2.678 0.027 2 975 92 92 ASP C C 177.021 0.15 1 976 92 92 ASP CA C 57.109 0.15 1 977 92 92 ASP CB C 42.005 0.15 1 978 92 92 ASP N N 119.928 0.20 1 979 93 93 ALA H H 6.870 0.027 1 980 93 93 ALA HA H 4.028 0.027 1 981 93 93 ALA HB H 1.388 0.027 1 982 93 93 ALA C C 179.149 0.15 1 983 93 93 ALA CA C 53.391 0.15 1 984 93 93 ALA CB C 18.197 0.15 1 985 93 93 ALA N N 116.457 0.20 1 986 94 94 LEU H H 7.419 0.027 1 987 94 94 LEU HA H 3.861 0.027 1 988 94 94 LEU HB2 H 1.335 0.027 2 989 94 94 LEU HB3 H 0.829 0.027 2 990 94 94 LEU HD1 H 0.208 0.027 1 991 94 94 LEU HD2 H 0.609 0.027 1 992 94 94 LEU HG H 0.302 0.027 1 993 94 94 LEU C C 175.803 0.15 1 994 94 94 LEU CA C 55.849 0.15 1 995 94 94 LEU CB C 43.651 0.15 1 996 94 94 LEU CD1 C 25.225 0.15 2 997 94 94 LEU CD2 C 22.121 0.15 2 998 94 94 LEU CG C 26.004 0.15 1 999 94 94 LEU N N 120.089 0.20 1 1000 95 95 PHE H H 7.824 0.027 1 1001 95 95 PHE HA H 4.844 0.027 1 1002 95 95 PHE HB2 H 2.825 0.027 2 1003 95 95 PHE HB3 H 3.105 0.027 2 1004 95 95 PHE HD1 H 7.089 0.027 3 1005 95 95 PHE HD2 H 7.089 0.027 3 1006 95 95 PHE HE1 H 7.219 0.027 3 1007 95 95 PHE HE2 H 7.219 0.027 3 1008 95 95 PHE CA C 54.725 0.15 1 1009 95 95 PHE CB C 40.024 0.15 1 1010 95 95 PHE CD1 C 131.901 0.15 3 1011 95 95 PHE CD2 C 131.894 0.15 3 1012 95 95 PHE CE1 C 131.836 0.15 3 1013 95 95 PHE CE2 C 131.836 0.15 3 1014 95 95 PHE N N 116.178 0.20 1 1015 96 96 PRO HA H 3.660 0.027 1 1016 96 96 PRO HB2 H 1.570 0.027 2 1017 96 96 PRO HB3 H 1.750 0.027 2 1018 96 96 PRO HD2 H 3.264 0.027 2 1019 96 96 PRO HD3 H 3.078 0.027 2 1020 96 96 PRO HG2 H 1.850 0.027 2 1021 96 96 PRO CA C 60.730 0.15 1 1022 96 96 PRO CB C 30.610 0.15 1 1023 96 96 PRO CD C 49.530 0.15 1 1024 96 96 PRO CG C 27.070 0.15 1 1025 97 97 VAL H H 8.210 0.027 1 1026 97 97 VAL HA H 3.319 0.027 1 1027 97 97 VAL HB H 1.771 0.027 1 1028 97 97 VAL HG1 H 0.821 0.027 2 1029 97 97 VAL HG2 H 0.823 0.027 2 1030 97 97 VAL CA C 64.793 0.15 1 1031 97 97 VAL CB C 31.269 0.15 1 1032 97 97 VAL CG1 C 22.729 0.15 2 1033 97 97 VAL CG2 C 20.424 0.15 2 1034 97 97 VAL N N 118.462 0.20 1 1035 98 98 ASN H H 8.792 0.027 1 1036 98 98 ASN HA H 4.142 0.027 1 1037 98 98 ASN HB2 H 3.293 0.027 2 1038 98 98 ASN HB3 H 2.931 0.027 2 1039 98 98 ASN HD21 H 7.614 0.027 2 1040 98 98 ASN HD22 H 6.923 0.027 2 1041 98 98 ASN CA C 55.630 0.15 1 1042 98 98 ASN CB C 37.029 0.15 1 1043 98 98 ASN N N 118.138 0.20 1 1044 98 98 ASN ND2 N 114.234 0.20 1 1045 99 99 LEU H H 8.039 0.027 1 1046 99 99 LEU HA H 4.110 0.027 1 1047 99 99 LEU HB2 H 1.765 0.027 2 1048 99 99 LEU HB3 H 1.649 0.027 2 1049 99 99 LEU HD1 H 0.817 0.027 1 1050 99 99 LEU HD2 H 0.849 0.027 1 1051 99 99 LEU HG H 0.982 0.027 1 1052 99 99 LEU C C 175.271 0.15 1 1053 99 99 LEU CA C 56.811 0.15 1 1054 99 99 LEU CB C 42.683 0.15 1 1055 99 99 LEU CD1 C 21.147 0.15 2 1056 99 99 LEU CD2 C 22.745 0.15 2 1057 99 99 LEU CG C 27.346 0.15 1 1058 99 99 LEU N N 122.842 0.20 1 1059 100 100 VAL H H 8.199 0.027 1 1060 100 100 VAL HA H 4.740 0.027 1 1061 100 100 VAL HB H 1.779 0.027 1 1062 100 100 VAL HG1 H 0.815 0.027 1 1063 100 100 VAL HG2 H 0.660 0.027 1 1064 100 100 VAL C C 176.195 0.15 1 1065 100 100 VAL CA C 61.023 0.15 1 1066 100 100 VAL CB C 33.559 0.15 1 1067 100 100 VAL CG1 C 21.187 0.15 2 1068 100 100 VAL CG2 C 21.780 0.15 2 1069 100 100 VAL N N 125.944 0.20 1 1070 101 101 MET H H 9.310 0.027 1 1071 101 101 MET HA H 4.372 0.027 1 1072 101 101 MET HB2 H 1.753 0.027 2 1073 101 101 MET HB3 H 1.644 0.027 2 1074 101 101 MET HE H 1.015 0.027 1 1075 101 101 MET HG2 H 1.874 0.027 2 1076 101 101 MET HG3 H 2.392 0.027 2 1077 101 101 MET C C 174.535 0.15 1 1078 101 101 MET CA C 53.731 0.15 1 1079 101 101 MET CB C 35.833 0.15 1 1080 101 101 MET CE C 15.701 0.15 1 1081 101 101 MET CG C 31.459 0.15 1 1082 101 101 MET N N 127.242 0.20 1 1083 102 102 GLN H H 8.657 0.027 1 1084 102 102 GLN HA H 4.685 0.027 1 1085 102 102 GLN HB2 H 1.974 0.027 2 1086 102 102 GLN HB3 H 1.840 0.027 2 1087 102 102 GLN HE21 H 7.323 0.027 2 1088 102 102 GLN HE22 H 6.703 0.027 2 1089 102 102 GLN HG2 H 2.156 0.027 2 1090 102 102 GLN HG3 H 2.199 0.027 2 1091 102 102 GLN C C 176.270 0.15 1 1092 102 102 GLN CA C 55.308 0.15 1 1093 102 102 GLN CB C 29.242 0.15 1 1094 102 102 GLN CG C 33.692 0.15 1 1095 102 102 GLN N N 123.383 0.20 1 1096 102 102 GLN NE2 N 111.373 0.20 1 1097 103 103 SER H H 8.718 0.027 1 1098 103 103 SER HA H 4.463 0.027 1 1099 103 103 SER HB2 H 3.278 0.027 2 1100 103 103 SER HB3 H 3.548 0.027 2 1101 103 103 SER C C 174.003 0.15 1 1102 103 103 SER CA C 56.026 0.15 1 1103 103 103 SER CB C 63.567 0.15 1 1104 103 103 SER N N 120.061 0.20 1 1105 104 104 GLY H H 8.784 0.027 1 1106 104 104 GLY HA2 H 3.832 0.027 2 1107 104 104 GLY HA3 H 3.731 0.027 2 1108 104 104 GLY C C 174.929 0.15 1 1109 104 104 GLY CA C 47.589 0.15 1 1110 104 104 GLY N N 115.086 0.20 1 1111 105 105 GLY H H 8.354 0.027 1 1112 105 105 GLY HA2 H 3.871 0.027 2 1113 105 105 GLY HA3 H 3.929 0.027 2 1114 105 105 GLY C C 173.178 0.15 1 1115 105 105 GLY CA C 45.315 0.15 1 1116 105 105 GLY N N 110.767 0.20 1 1117 106 106 LEU H H 7.924 0.027 1 1118 106 106 LEU HA H 4.749 0.027 1 1119 106 106 LEU HB2 H 1.488 0.027 2 1120 106 106 LEU HB3 H 1.325 0.027 2 1121 106 106 LEU HD1 H 0.597 0.027 2 1122 106 106 LEU HD2 H 0.598 0.027 2 1123 106 106 LEU HG H 1.690 0.027 1 1124 106 106 LEU C C 174.386 0.15 1 1125 106 106 LEU CA C 53.669 0.15 1 1126 106 106 LEU CB C 43.848 0.15 1 1127 106 106 LEU CD1 C 25.773 0.15 2 1128 106 106 LEU CD2 C 25.684 0.15 2 1129 106 106 LEU CG C 26.355 0.15 1 1130 106 106 LEU N N 120.125 0.20 1 1131 107 107 ALA H H 8.499 0.027 1 1132 107 107 ALA HA H 4.830 0.027 1 1133 107 107 ALA HB H 1.088 0.027 1 1134 107 107 ALA C C 175.596 0.15 1 1135 107 107 ALA CA C 50.365 0.15 1 1136 107 107 ALA CB C 20.763 0.15 1 1137 107 107 ALA N N 123.603 0.20 1 1138 108 108 VAL H H 8.798 0.027 1 1139 108 108 VAL HA H 4.458 0.027 1 1140 108 108 VAL HB H 1.635 0.027 1 1141 108 108 VAL HG1 H 0.430 0.027 1 1142 108 108 VAL HG2 H 0.609 0.027 1 1143 108 108 VAL C C 173.688 0.15 1 1144 108 108 VAL CA C 61.206 0.15 1 1145 108 108 VAL CB C 33.136 0.15 1 1146 108 108 VAL CG1 C 22.030 0.15 2 1147 108 108 VAL CG2 C 21.535 0.15 2 1148 108 108 VAL N N 124.871 0.20 1 1149 109 109 ARG H H 9.269 0.027 1 1150 109 109 ARG HA H 5.669 0.027 1 1151 109 109 ARG HB2 H 2.003 0.027 2 1152 109 109 ARG HB3 H 1.589 0.027 2 1153 109 109 ARG HD2 H 3.154 0.027 2 1154 109 109 ARG HD3 H 3.018 0.027 2 1155 109 109 ARG HG2 H 1.378 0.027 2 1156 109 109 ARG HG3 H 1.186 0.027 2 1157 109 109 ARG C C 176.633 0.15 1 1158 109 109 ARG CA C 53.271 0.15 1 1159 109 109 ARG CB C 34.217 0.15 1 1160 109 109 ARG CD C 43.290 0.15 1 1161 109 109 ARG CG C 26.979 0.15 1 1162 109 109 ARG N N 128.240 0.20 1 1163 110 110 VAL H H 8.557 0.027 1 1164 110 110 VAL HA H 3.929 0.027 1 1165 110 110 VAL HB H 2.396 0.027 1 1166 110 110 VAL HG1 H 1.068 0.027 1 1167 110 110 VAL C C 175.510 0.15 1 1168 110 110 VAL CA C 64.527 0.15 1 1169 110 110 VAL CB C 31.345 0.15 1 1170 110 110 VAL CG1 C 22.107 0.15 2 1171 110 110 VAL N N 125.417 0.20 1 1172 111 111 ARG H H 9.260 0.027 1 1173 111 111 ARG HA H 4.547 0.027 1 1174 111 111 ARG HB2 H 1.635 0.027 2 1175 111 111 ARG HD2 H 3.197 0.027 2 1176 111 111 ARG HD3 H 3.099 0.027 2 1177 111 111 ARG HG2 H 1.541 0.027 2 1178 111 111 ARG HG3 H 1.459 0.027 2 1179 111 111 ARG C C 175.919 0.15 1 1180 111 111 ARG CA C 55.868 0.15 1 1181 111 111 ARG CB C 32.359 0.15 1 1182 111 111 ARG CD C 42.054 0.15 1 1183 111 111 ARG CG C 27.022 0.15 1 1184 111 111 ARG N N 130.319 0.20 1 1185 112 112 THR H H 7.964 0.027 1 1186 112 112 THR HA H 4.858 0.027 1 1187 112 112 THR HB H 4.323 0.027 1 1188 112 112 THR HG2 H 1.109 0.027 1 1189 112 112 THR CA C 57.978 0.15 1 1190 112 112 THR CB C 68.842 0.15 1 1191 112 112 THR CG2 C 21.369 0.15 1 1192 112 112 THR N N 111.884 0.20 1 1193 113 113 PRO HA H 4.606 0.027 1 1194 113 113 PRO HB2 H 2.049 0.027 2 1195 113 113 PRO HB3 H 2.321 0.027 2 1196 113 113 PRO HD2 H 3.587 0.027 2 1197 113 113 PRO HD3 H 3.658 0.027 2 1198 113 113 PRO HG2 H 1.939 0.027 2 1199 113 113 PRO HG3 H 1.867 0.027 2 1200 113 113 PRO C C 177.285 0.15 1 1201 113 113 PRO CA C 62.035 0.15 1 1202 113 113 PRO CB C 33.322 0.15 1 1203 113 113 PRO CD C 50.528 0.15 1 1204 113 113 PRO CG C 27.122 0.15 1 1205 114 114 ILE H H 9.003 0.027 1 1206 114 114 ILE HA H 4.212 0.027 1 1207 114 114 ILE HB H 1.893 0.027 1 1208 114 114 ILE HD1 H 0.621 0.027 1 1209 114 114 ILE HG12 H 1.484 0.027 2 1210 114 114 ILE HG13 H 1.383 0.027 2 1211 114 114 ILE HG2 H 0.786 0.027 1 1212 114 114 ILE C C 176.672 0.15 1 1213 114 114 ILE CA C 60.468 0.15 1 1214 114 114 ILE CB C 37.186 0.15 1 1215 114 114 ILE CD1 C 12.009 0.15 1 1216 114 114 ILE CG1 C 27.098 0.15 1 1217 114 114 ILE CG2 C 17.232 0.15 1 1218 114 114 ILE N N 121.378 0.20 1 1219 115 115 SER H H 8.948 0.027 1 1220 115 115 SER HA H 4.662 0.027 1 1221 115 115 SER HB2 H 3.675 0.027 2 1222 115 115 SER C C 173.462 0.15 1 1223 115 115 SER CA C 56.951 0.15 1 1224 115 115 SER CB C 65.238 0.15 1 1225 115 115 SER N N 120.715 0.20 1 1226 116 116 ASN H H 8.706 0.027 1 1227 116 116 ASN HA H 4.921 0.027 1 1228 116 116 ASN HB2 H 2.582 0.027 2 1229 116 116 ASN HB3 H 2.582 0.027 2 1230 116 116 ASN HD21 H 7.300 0.027 2 1231 116 116 ASN HD22 H 6.369 0.027 2 1232 116 116 ASN C C 175.751 0.15 1 1233 116 116 ASN CA C 53.162 0.15 1 1234 116 116 ASN CB C 39.209 0.15 1 1235 116 116 ASN N N 123.404 0.20 1 1236 116 116 ASN ND2 N 110.300 0.20 1 1237 117 117 GLY H H 8.501 0.027 1 1238 117 117 GLY HA2 H 4.348 0.027 2 1239 117 117 GLY HA3 H 3.482 0.027 2 1240 117 117 GLY CA C 43.538 0.15 1 1241 117 117 GLY N N 111.221 0.20 1 1242 118 118 GLN H H 8.262 0.027 1 1243 118 118 GLN HA H 4.465 0.027 1 1244 118 118 GLN HB2 H 1.868 0.027 2 1245 118 118 GLN HB3 H 1.934 0.027 2 1246 118 118 GLN HE21 H 6.833 0.027 2 1247 118 118 GLN HE22 H 7.551 0.027 2 1248 118 118 GLN HG2 H 2.331 0.027 2 1249 118 118 GLN HG3 H 2.331 0.027 2 1250 118 118 GLN CA C 53.341 0.15 1 1251 118 118 GLN CB C 28.926 0.15 1 1252 118 118 GLN CG C 33.305 0.15 1 1253 118 118 GLN N N 120.084 0.20 1 1254 118 118 GLN NE2 N 112.891 0.20 1 1255 119 119 PRO HA H 4.798 0.027 1 1256 119 119 PRO HB2 H 2.095 0.027 2 1257 119 119 PRO HB3 H 1.777 0.027 2 1258 119 119 PRO HD2 H 3.583 0.027 2 1259 119 119 PRO HD3 H 4.022 0.027 2 1260 119 119 PRO HG2 H 1.903 0.027 2 1261 119 119 PRO HG3 H 2.037 0.027 2 1262 119 119 PRO C C 177.100 0.15 1 1263 119 119 PRO CA C 62.618 0.15 1 1264 119 119 PRO CB C 33.095 0.15 1 1265 119 119 PRO CD C 50.807 0.15 1 1266 119 119 PRO CG C 27.249 0.15 1 1267 120 120 THR H H 8.659 0.027 1 1268 120 120 THR HA H 4.556 0.027 1 1269 120 120 THR HB H 4.073 0.027 1 1270 120 120 THR HG2 H 1.066 0.027 1 1271 120 120 THR C C 174.020 0.15 1 1272 120 120 THR CA C 60.633 0.15 1 1273 120 120 THR CB C 71.009 0.15 1 1274 120 120 THR CG2 C 21.474 0.15 1 1275 120 120 THR N N 113.937 0.20 1 1276 121 121 THR H H 8.618 0.027 1 1277 121 121 THR HA H 4.720 0.027 1 1278 121 121 THR HB H 4.069 0.027 1 1279 121 121 THR HG2 H 1.258 0.027 1 1280 121 121 THR C C 174.372 0.15 1 1281 121 121 THR CA C 62.382 0.15 1 1282 121 121 THR CB C 70.822 0.15 1 1283 121 121 THR CG2 C 21.971 0.15 1 1284 121 121 THR N N 119.278 0.20 1 1285 122 122 GLY H H 8.502 0.027 1 1286 122 122 GLY HA2 H 3.866 0.027 2 1287 122 122 GLY HA3 H 4.379 0.027 2 1288 122 122 GLY C C 173.184 0.15 1 1289 122 122 GLY CA C 44.192 0.15 1 1290 122 122 GLY N N 115.832 0.20 1 1291 123 123 ASP H H 8.308 0.027 1 1292 123 123 ASP HA H 4.371 0.027 1 1293 123 123 ASP HB2 H 2.610 0.027 2 1294 123 123 ASP HB3 H 2.529 0.027 2 1295 123 123 ASP C C 176.933 0.15 1 1296 123 123 ASP CA C 55.963 0.15 1 1297 123 123 ASP CB C 40.746 0.15 1 1298 123 123 ASP N N 119.551 0.20 1 1299 124 124 ALA H H 8.510 0.027 1 1300 124 124 ALA HA H 4.440 0.027 1 1301 124 124 ALA HB H 1.318 0.027 1 1302 124 124 ALA C C 176.756 0.15 1 1303 124 124 ALA CA C 51.864 0.15 1 1304 124 124 ALA CB C 20.314 0.15 1 1305 124 124 ALA N N 119.758 0.20 1 1306 125 125 ASP H H 7.558 0.027 1 1307 125 125 ASP HA H 4.904 0.027 1 1308 125 125 ASP HB2 H 2.536 0.027 2 1309 125 125 ASP HB3 H 2.489 0.027 2 1310 125 125 ASP C C 173.964 0.15 1 1311 125 125 ASP CA C 53.144 0.15 1 1312 125 125 ASP CB C 43.681 0.15 1 1313 125 125 ASP N N 116.881 0.20 1 1314 126 126 HIS H H 8.912 0.027 1 1315 126 126 HIS HA H 5.134 0.027 1 1316 126 126 HIS HB2 H 3.127 0.027 2 1317 126 126 HIS HB3 H 2.983 0.027 2 1318 126 126 HIS HD2 H 7.093 0.027 1 1319 126 126 HIS HE1 H 8.509 0.027 1 1320 126 126 HIS CA C 55.037 0.15 1 1321 126 126 HIS CB C 31.275 0.15 1 1322 126 126 HIS CD2 C 120.131 0.15 1 1323 126 126 HIS N N 118.411 0.20 1 1324 127 127 THR H H 8.513 0.027 1 1325 127 127 THR HA H 5.228 0.027 1 1326 127 127 THR HB H 3.718 0.027 1 1327 127 127 THR HG2 H 0.770 0.027 1 1328 127 127 THR CA C 61.512 0.15 1 1329 127 127 THR CB C 70.849 0.15 1 1330 127 127 THR CG2 C 21.378 0.15 1 1331 127 127 THR N N 119.920 0.20 1 1332 128 128 VAL H H 8.606 0.027 1 1333 128 128 VAL HA H 4.305 0.027 1 1334 128 128 VAL HB H 1.763 0.027 1 1335 128 128 VAL HG1 H 0.750 0.027 2 1336 128 128 VAL HG2 H 0.739 0.027 2 1337 128 128 VAL CA C 59.084 0.15 1 1338 128 128 VAL CB C 34.898 0.15 1 1339 128 128 VAL CG1 C 20.288 0.15 2 1340 128 128 VAL CG2 C 21.486 0.15 2 1341 128 128 VAL N N 125.704 0.20 1 1342 129 129 PRO HA H 4.998 0.027 1 1343 129 129 PRO HB2 H 1.890 0.027 2 1344 129 129 PRO HB3 H 1.601 0.027 2 1345 129 129 PRO HD2 H 3.597 0.027 2 1346 129 129 PRO HD3 H 3.334 0.027 2 1347 129 129 PRO HG2 H 1.890 0.027 2 1348 129 129 PRO HG3 H 1.890 0.027 2 1349 129 129 PRO C C 176.353 0.15 1 1350 129 129 PRO CA C 61.591 0.15 1 1351 129 129 PRO CB C 32.054 0.15 1 1352 129 129 PRO CD C 51.247 0.15 1 1353 129 129 PRO CG C 27.083 0.15 1 1354 130 130 ILE H H 8.843 0.027 1 1355 130 130 ILE HA H 4.744 0.027 1 1356 130 130 ILE HB H 1.793 0.027 1 1357 130 130 ILE HD1 H 0.613 0.027 1 1358 130 130 ILE HG12 H 1.450 0.027 2 1359 130 130 ILE HG13 H 1.000 0.027 2 1360 130 130 ILE HG2 H 0.727 0.027 1 1361 130 130 ILE C C 174.914 0.15 1 1362 130 130 ILE CA C 60.031 0.15 1 1363 130 130 ILE CB C 39.838 0.15 1 1364 130 130 ILE CD1 C 14.311 0.15 1 1365 130 130 ILE CG1 C 26.880 0.15 1 1366 130 130 ILE CG2 C 18.902 0.15 1 1367 130 130 ILE N N 125.155 0.20 1 1368 131 131 SER H H 8.638 0.027 1 1369 131 131 SER HA H 5.561 0.027 1 1370 131 131 SER HB2 H 3.591 0.027 2 1371 131 131 SER HB3 H 3.519 0.027 2 1372 131 131 SER C C 172.116 0.15 1 1373 131 131 SER CA C 56.879 0.15 1 1374 131 131 SER CB C 67.163 0.15 1 1375 131 131 SER N N 117.913 0.20 1 1376 132 132 LEU H H 8.913 0.027 1 1377 132 132 LEU HA H 4.559 0.027 1 1378 132 132 LEU HB2 H 2.177 0.027 2 1379 132 132 LEU HB3 H 1.632 0.027 2 1380 132 132 LEU HD1 H 0.775 0.027 1 1381 132 132 LEU HD2 H 1.012 0.027 1 1382 132 132 LEU HG H 1.903 0.027 1 1383 132 132 LEU C C 174.935 0.15 1 1384 132 132 LEU CA C 54.167 0.15 1 1385 132 132 LEU CB C 44.411 0.15 1 1386 132 132 LEU CD1 C 27.917 0.15 2 1387 132 132 LEU CD2 C 25.572 0.15 2 1388 132 132 LEU CG C 24.955 0.15 1 1389 132 132 LEU N N 117.076 0.20 1 1390 133 133 GLY H H 8.179 0.027 1 1391 133 133 GLY HA2 H 3.580 0.027 2 1392 133 133 GLY HA3 H 5.008 0.027 2 1393 133 133 GLY C C 172.746 0.15 1 1394 133 133 GLY CA C 44.021 0.15 1 1395 133 133 GLY N N 108.976 0.20 1 1396 134 134 TYR H H 8.498 0.027 1 1397 134 134 TYR HA H 5.947 0.027 1 1398 134 134 TYR HB2 H 3.315 0.027 2 1399 134 134 TYR HB3 H 2.456 0.027 2 1400 134 134 TYR HD1 H 6.304 0.027 3 1401 134 134 TYR HD2 H 6.304 0.027 3 1402 134 134 TYR HE1 H 6.700 0.027 3 1403 134 134 TYR HE2 H 6.700 0.027 3 1404 134 134 TYR C C 174.075 0.15 1 1405 134 134 TYR CA C 55.397 0.15 1 1406 134 134 TYR CB C 43.181 0.15 1 1407 134 134 TYR CD1 C 128.482 0.15 3 1408 134 134 TYR CD2 C 128.482 0.15 3 1409 134 134 TYR CE1 C 118.188 0.15 3 1410 134 134 TYR CE2 C 118.188 0.15 3 1411 134 134 TYR N N 121.568 0.20 1 1412 135 135 ASP H H 9.529 0.027 1 1413 135 135 ASP HA H 5.339 0.027 1 1414 135 135 ASP HB2 H 2.914 0.027 2 1415 135 135 ASP HB3 H 2.672 0.027 2 1416 135 135 ASP C C 174.690 0.15 1 1417 135 135 ASP CA C 53.003 0.15 1 1418 135 135 ASP CB C 44.414 0.15 1 1419 135 135 ASP N N 121.050 0.20 1 1420 136 136 VAL H H 8.091 0.027 1 1421 136 136 VAL HA H 5.071 0.027 1 1422 136 136 VAL HB H 1.925 0.027 1 1423 136 136 VAL HG1 H 0.974 0.027 1 1424 136 136 VAL HG2 H 0.640 0.027 1 1425 136 136 VAL CA C 60.858 0.15 1 1426 136 136 VAL CB C 35.243 0.15 1 1427 136 136 VAL CG1 C 22.202 0.15 2 1428 136 136 VAL CG2 C 22.438 0.15 2 1429 136 136 VAL N N 117.484 0.20 1 1430 137 137 GLN H H 8.691 0.027 1 1431 137 137 GLN HA H 4.558 0.027 1 1432 137 137 GLN HB2 H 1.906 0.027 2 1433 137 137 GLN HB3 H 1.813 0.027 2 1434 137 137 GLN HE21 H 7.210 0.027 2 1435 137 137 GLN HE22 H 6.507 0.027 2 1436 137 137 GLN HG2 H 2.163 0.027 2 1437 137 137 GLN HG3 H 2.163 0.027 2 1438 137 137 GLN CA C 54.397 0.15 1 1439 137 137 GLN CB C 32.048 0.15 1 1440 137 137 GLN CG C 33.588 0.15 1 1441 137 137 GLN N N 125.392 0.20 1 1442 137 137 GLN NE2 N 110.700 0.20 1 1443 138 138 PHE H H 8.541 0.027 1 1444 138 138 PHE HA H 4.626 0.027 1 1445 138 138 PHE HB2 H 2.829 0.027 2 1446 138 138 PHE HB3 H 2.977 0.027 2 1447 138 138 PHE HD1 H 7.129 0.027 3 1448 138 138 PHE HD2 H 7.129 0.027 3 1449 138 138 PHE HE1 H 6.973 0.027 3 1450 138 138 PHE HE2 H 6.973 0.027 3 1451 138 138 PHE CA C 57.858 0.15 1 1452 138 138 PHE CB C 39.993 0.15 1 1453 138 138 PHE CD1 C 131.675 0.15 3 1454 138 138 PHE CD2 C 131.675 0.15 3 1455 138 138 PHE CE1 C 129.330 0.15 3 1456 138 138 PHE CE2 C 129.330 0.15 3 1457 138 138 PHE N N 121.457 0.20 1 1458 139 139 TYR H H 8.203 0.027 1 1459 139 139 TYR HB2 H 2.692 0.027 2 1460 139 139 TYR HB3 H 2.950 0.027 2 1461 139 139 TYR HD1 H 6.955 0.027 3 1462 139 139 TYR HD2 H 6.955 0.027 3 1463 139 139 TYR HE1 H 6.640 0.027 3 1464 139 139 TYR HE2 H 6.640 0.027 3 1465 139 139 TYR CB C 38.354 0.15 1 1466 139 139 TYR CD1 C 133.156 0.15 3 1467 139 139 TYR CD2 C 133.156 0.15 3 1468 139 139 TYR CE1 C 117.954 0.15 3 1469 139 139 TYR CE2 C 117.954 0.15 3 1470 139 139 TYR N N 122.969 0.20 1 1471 140 140 PRO HA H 4.332 0.027 1 1472 140 140 PRO CA C 63.526 0.15 1 1473 141 141 GLU H H 7.909 0.027 1 1474 141 141 GLU HA H 4.048 0.027 1 1475 141 141 GLU HB2 H 1.987 0.027 2 1476 141 141 GLU HB3 H 1.987 0.027 2 1477 141 141 GLU HG2 H 2.178 0.027 2 1478 141 141 GLU HG3 H 2.178 0.027 2 1479 141 141 GLU CA C 57.962 0.15 1 1480 141 141 GLU CB C 31.173 0.15 1 1481 141 141 GLU CG C 36.703 0.15 1 1482 141 141 GLU N N 126.557 0.20 1 stop_ save_