data_30237 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of monomeric human IRAK-M Death Domain R56D, Y61E mutant ; _BMRB_accession_number 30237 _BMRB_flat_file_name bmr30237.str _Entry_type original _Submission_date 2017-01-20 _Accession_date 2017-01-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kwon J. . . 2 Nicholson L. K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 602 "13C chemical shifts" 483 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-05 update BMRB 'update entry citation' 2018-01-17 original author 'original release' stop_ _Original_release_date 2017-02-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The IL-33-PIN1-IRAK-M axis is critical for type 2 immunity in IL-33-induced allergic airway inflammation. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29686383 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nechama Morris . . 2 Kwon Jeahoo . . 3 Wei Shuo . . 4 Kyi 'Adrian Tun' T. . 5 Welner Robert S. . 6 Ben-Dov Iddo Z. . 7 Arredouani Mohamed S. . 8 Asara John M. . 9 Chen Chun-Hau H. . 10 Tsai Cheng-Yu Y. . 11 Nelson Kyle F. . 12 Kobayashi Koichi S. . 13 Israel Elliot . . 14 Zhou 'Xiao Zhen' Z. . 15 Nicholson Linda K. . 16 Lu 'Kun Ping' P. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1603 _Page_last 1603 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Interleukin-1 receptor-associated kinase 3 (E.C.2.7.11.1)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13467.164 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; SEFGSMAGNCGARGALSAHT LLFDLPPALLGELCAVLDSC DGALGWRGLAERLSSSWLDV DHIEKEVDQGKSGTRELLWS WAQKNKTIGDLLQVLQEMGH RRAIHLITNYGAVLSPSEKS YQEG ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLU 3 PHE 4 GLY 5 SER 6 MET 7 ALA 8 GLY 9 ASN 10 CYS 11 GLY 12 ALA 13 ARG 14 GLY 15 ALA 16 LEU 17 SER 18 ALA 19 HIS 20 THR 21 LEU 22 LEU 23 PHE 24 ASP 25 LEU 26 PRO 27 PRO 28 ALA 29 LEU 30 LEU 31 GLY 32 GLU 33 LEU 34 CYS 35 ALA 36 VAL 37 LEU 38 ASP 39 SER 40 CYS 41 ASP 42 GLY 43 ALA 44 LEU 45 GLY 46 TRP 47 ARG 48 GLY 49 LEU 50 ALA 51 GLU 52 ARG 53 LEU 54 SER 55 SER 56 SER 57 TRP 58 LEU 59 ASP 60 VAL 61 ASP 62 HIS 63 ILE 64 GLU 65 LYS 66 GLU 67 VAL 68 ASP 69 GLN 70 GLY 71 LYS 72 SER 73 GLY 74 THR 75 ARG 76 GLU 77 LEU 78 LEU 79 TRP 80 SER 81 TRP 82 ALA 83 GLN 84 LYS 85 ASN 86 LYS 87 THR 88 ILE 89 GLY 90 ASP 91 LEU 92 LEU 93 GLN 94 VAL 95 LEU 96 GLN 97 GLU 98 MET 99 GLY 100 HIS 101 ARG 102 ARG 103 ALA 104 ILE 105 HIS 106 LEU 107 ILE 108 THR 109 ASN 110 TYR 111 GLY 112 ALA 113 VAL 114 LEU 115 SER 116 PRO 117 SER 118 GLU 119 LYS 120 SER 121 TYR 122 GLN 123 GLU 124 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens IRAK3 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pMAL-c2X stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 800 uM [U-99% 13C; U-99% 15N] IRAK-M Death Domain_R56D_Y61E, 20 mM sodium chloride, 5 mM TCEP, 10 mM TRIS, 5 mM sodium azide, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 800 uM '[U-99% 13C; U-99% 15N]' TCEP 5 mM 'natural abundance' TRIS 10 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_software_2 _Saveframe_category software _Name PINE _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name PONDEROSA _Version . loop_ _Vendor _Address _Electronic_address 'NMRFAM (University of Wisconsin-Madison), WoongHee Lee' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.0229 . M pH 6.67 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'DSS chemical shift reference' 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 external indirect . . . 0.251449582 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.10132905 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 SER HA H 4.498 0 . 2 1 1 SER HB2 H 4.478 0 . 3 1 1 SER HB3 H 3.867 0 . 4 1 1 SER C C 174.063 0 . 5 1 1 SER CA C 58.222 0 . 6 1 1 SER CB C 63.816 0 . 7 2 2 GLU H H 8.55 0 . 8 2 2 GLU HA H 4.252 0 . 9 2 2 GLU HB2 H 1.928 0 . 10 2 2 GLU HB3 H 1.863 0 . 11 2 2 GLU HG2 H 2.122 0 . 12 2 2 GLU C C 176.207 0 . 13 2 2 GLU CA C 56.9 0 . 14 2 2 GLU CB C 30.258 0 . 15 2 2 GLU CG C 36.126 0 . 16 2 2 GLU N N 123.286 0 . 17 3 3 PHE H H 8.317 0 . 18 3 3 PHE HA H 4.66 0 . 19 3 3 PHE HB2 H 3.014 0 . 20 3 3 PHE HB3 H 3.226 0 . 21 3 3 PHE C C 176.453 0 . 22 3 3 PHE CA C 58.065 0 . 23 3 3 PHE CB C 39.551 0 . 24 3 3 PHE N N 120.571 0 . 25 4 4 GLY H H 8.373 0 . 26 4 4 GLY HA2 H 3.995 0 . 27 4 4 GLY HA3 H 3.972 0 . 28 4 4 GLY C C 174.287 0 . 29 4 4 GLY CA C 45.537 0 . 30 4 4 GLY N N 110.339 0 . 31 5 5 SER H H 8.223 0 . 32 5 5 SER HA H 4.498 0 . 33 5 5 SER HB2 H 3.723 0 . 34 5 5 SER HB3 H 3.895 0 . 35 5 5 SER C C 174.93 0 . 36 5 5 SER CA C 58.608 0 . 37 5 5 SER CB C 63.902 0 . 38 5 5 SER N N 115.508 0 . 39 6 6 MET H H 8.454 0 . 40 6 6 MET HA H 4.542 0 . 41 6 6 MET HB2 H 2.179 0 . 42 6 6 MET HG3 H 2.144 0 . 43 6 6 MET C C 176.075 0 . 44 6 6 MET CA C 55.765 0 . 45 6 6 MET CB C 32.631 0 . 46 6 6 MET CE C 16.461 0 . 47 6 6 MET N N 122.045 0 . 48 7 7 ALA H H 8.245 0 . 49 7 7 ALA HA H 4.37 0 . 50 7 7 ALA HB H 1.442 0 . 51 7 7 ALA C C 178.189 0 . 52 7 7 ALA CA C 52.947 0 . 53 7 7 ALA CB C 19.291 0 . 54 7 7 ALA N N 124.425 0 . 55 8 8 GLY H H 8.354 0 . 56 8 8 GLY HA2 H 3.996 0 . 57 8 8 GLY C C 174.147 0 . 58 8 8 GLY CA C 45.433 0 . 59 8 8 GLY N N 107.743 0 . 60 9 9 ASN H H 8.338 0 . 61 9 9 ASN HA H 4.823 0 . 62 9 9 ASN HB2 H 2.9 0 . 63 9 9 ASN HB3 H 2.835 0 . 64 9 9 ASN HD21 H 7.622 0 . 65 9 9 ASN HD22 H 6.95 0 . 66 9 9 ASN C C 175.444 0 . 67 9 9 ASN CA C 53.395 0 . 68 9 9 ASN CB C 38.984 0 . 69 9 9 ASN N N 118.689 0 . 70 9 9 ASN ND2 N 112.757 0 . 71 10 10 CYS H H 8.442 0 . 72 10 10 CYS HA H 4.55 0 . 73 10 10 CYS HB2 H 3.004 0 . 74 10 10 CYS C C 175.212 0 . 75 10 10 CYS CA C 58.976 0 . 76 10 10 CYS CB C 27.998 0 . 77 10 10 CYS N N 119.116 0 . 78 11 11 GLY H H 8.472 0 . 79 11 11 GLY HA2 H 4.008 0 . 80 11 11 GLY HA3 H 3.993 0 . 81 11 11 GLY C C 173.856 0 . 82 11 11 GLY CA C 45.378 0 . 83 11 11 GLY N N 110.744 0 . 84 12 12 ALA H H 8.19 0 . 85 12 12 ALA HA H 4.361 0 . 86 12 12 ALA HB H 1.433 0 . 87 12 12 ALA C C 177.83 0 . 88 12 12 ALA CA C 52.703 0 . 89 12 12 ALA CB C 19.392 0 . 90 12 12 ALA N N 123.885 0 . 91 13 13 ARG H H 8.381 0 . 92 13 13 ARG HA H 4.393 0 . 93 13 13 ARG HB2 H 1.905 0 . 94 13 13 ARG HB3 H 1.932 0 . 95 13 13 ARG HG2 H 1.692 0 . 96 13 13 ARG HG3 H 1.641 0 . 97 13 13 ARG HD2 H 3.234 0 . 98 13 13 ARG HD3 H 3.166 0 . 99 13 13 ARG C C 176.719 0 . 100 13 13 ARG CA C 56.315 0 . 101 13 13 ARG CB C 30.601 0 . 102 13 13 ARG CG C 27.199 0 . 103 13 13 ARG CD C 43.273 0 . 104 13 13 ARG N N 119.928 0 . 105 14 14 GLY H H 8.309 0 . 106 14 14 GLY HA2 H 4.019 0 . 107 14 14 GLY HA3 H 3.936 0 . 108 14 14 GLY C C 173.539 0 . 109 14 14 GLY CA C 45.293 0 . 110 14 14 GLY N N 109.647 0 . 111 15 15 ALA H H 8.126 0 . 112 15 15 ALA HA H 4.43 0 . 113 15 15 ALA HB H 1.465 0 . 114 15 15 ALA C C 177.674 0 . 115 15 15 ALA CA C 52.574 0 . 116 15 15 ALA CB C 19.858 0 . 117 15 15 ALA N N 122.811 0 . 118 16 16 LEU H H 8.349 0 . 119 16 16 LEU HA H 4.475 0 . 120 16 16 LEU HB2 H 1.515 0 . 121 16 16 LEU HG H 0.921 0 . 122 16 16 LEU HD1 H 0.873 0 . 123 16 16 LEU HD2 H 0.89 0 . 124 16 16 LEU C C 176.041 0 . 125 16 16 LEU CA C 54.526 0 . 126 16 16 LEU CB C 42.954 0 . 127 16 16 LEU CG C 27.333 0 . 128 16 16 LEU CD1 C 25.556 0 . 129 16 16 LEU CD2 C 24.537 0 . 130 16 16 LEU N N 120.898 0 . 131 17 17 SER H H 8.555 0 . 132 17 17 SER HA H 4.592 0 . 133 17 17 SER HB2 H 3.982 0 . 134 17 17 SER HB3 H 3.803 0 . 135 17 17 SER C C 175.519 0 . 136 17 17 SER CA C 57.223 0 . 137 17 17 SER CB C 65.134 0 . 138 17 17 SER N N 117.472 0 . 139 18 18 ALA H H 8.912 0 . 140 18 18 ALA HA H 3.862 0 . 141 18 18 ALA HB H 1.303 0 . 142 18 18 ALA C C 177.607 0 . 143 18 18 ALA CA C 54.565 0 . 144 18 18 ALA CB C 18.404 0 . 145 18 18 ALA N N 125.416 0 . 146 19 19 HIS H H 7.767 0 . 147 19 19 HIS HA H 4.635 0 . 148 19 19 HIS HB2 H 3.045 0 . 149 19 19 HIS HB3 H 3.289 0 . 150 19 19 HIS HD2 H 7.05 0 . 151 19 19 HIS C C 175.098 0 . 152 19 19 HIS CA C 55.618 0 . 153 19 19 HIS CB C 30.026 0 . 154 19 19 HIS CD2 C 118.369 0 . 155 19 19 HIS N N 111.715 0 . 156 20 20 THR H H 7.62 0 . 157 20 20 THR HA H 4.039 0 . 158 20 20 THR HB H 4.062 0 . 159 20 20 THR HG2 H 1.063 0 . 160 20 20 THR C C 173.83 0 . 161 20 20 THR CA C 64.469 0 . 162 20 20 THR CB C 69.779 0 . 163 20 20 THR CG2 C 21.337 0 . 164 20 20 THR N N 119.726 0 . 165 21 21 LEU H H 9.193 0 . 166 21 21 LEU HA H 4.34 0 . 167 21 21 LEU HB2 H 1.692 0 . 168 21 21 LEU HG H 1.861 0 . 169 21 21 LEU HD1 H 0.887 0 . 170 21 21 LEU HD2 H 0.817 0 . 171 21 21 LEU C C 178.854 0 . 172 21 21 LEU CA C 55.679 0 . 173 21 21 LEU CB C 40.841 0 . 174 21 21 LEU CD1 C 25.548 0 . 175 21 21 LEU CD2 C 23.028 0 . 176 21 21 LEU N N 128.869 0 . 177 22 22 LEU H H 8.447 0 . 178 22 22 LEU HA H 4.196 0 . 179 22 22 LEU HB2 H 1.425 0 . 180 22 22 LEU HG H 1.443 0 . 181 22 22 LEU HD1 H 0.69 0 . 182 22 22 LEU HD2 H 0.879 0 . 183 22 22 LEU C C 178.695 0 . 184 22 22 LEU CA C 58.004 0 . 185 22 22 LEU CB C 41.486 0 . 186 22 22 LEU CG C 27.188 0 . 187 22 22 LEU CD1 C 26.799 0 . 188 22 22 LEU N N 121.211 0 . 189 23 23 PHE H H 8.037 0 . 190 23 23 PHE HA H 4.393 0 . 191 23 23 PHE HB2 H 3.2 0 . 192 23 23 PHE HB3 H 2.864 0 . 193 23 23 PHE C C 176.171 0 . 194 23 23 PHE CA C 59.91 0 . 195 23 23 PHE CB C 39.084 0 . 196 23 23 PHE N N 113.203 0 . 197 24 24 ASP H H 7.83 0 . 198 24 24 ASP HA H 4.958 0 . 199 24 24 ASP HB2 H 2.692 0 . 200 24 24 ASP HB3 H 3.005 0 . 201 24 24 ASP C C 176.167 0 . 202 24 24 ASP CA C 54.201 0 . 203 24 24 ASP CB C 41.467 0 . 204 24 24 ASP N N 117.364 0 . 205 25 25 LEU H H 7.344 0 . 206 25 25 LEU HA H 4.203 0 . 207 25 25 LEU HB2 H 1.917 0 . 208 25 25 LEU HB3 H 1.335 0 . 209 25 25 LEU HG H 1.634 0 . 210 25 25 LEU HD1 H 0.871 0 . 211 25 25 LEU HD2 H 0.863 0 . 212 25 25 LEU CA C 53.961 0 . 213 25 25 LEU CB C 41.935 0 . 214 25 25 LEU CG C 27.093 0 . 215 25 25 LEU CD1 C 25.679 0 . 216 25 25 LEU CD2 C 23.58 0 . 217 25 25 LEU N N 121.439 0 . 218 26 26 PRO HA H 4.184 0 . 219 26 26 PRO HB2 H 1.974 0 . 220 26 26 PRO HG2 H 1.974 0 . 221 26 26 PRO HG3 H 1.99 0 . 222 26 26 PRO HD2 H 3.631 0 . 223 26 26 PRO HD3 H 3.59 0 . 224 26 26 PRO CB C 35.471 0 . 225 26 26 PRO CG C 26.85 0 . 226 26 26 PRO CD C 50.289 0 . 227 27 27 PRO HA H 4.182 0 . 228 27 27 PRO HB2 H 2.07 0 . 229 27 27 PRO HB3 H 2.461 0 . 230 27 27 PRO HG2 H 2.229 0 . 231 27 27 PRO HG3 H 2.257 0 . 232 27 27 PRO HD2 H 4.029 0 . 233 27 27 PRO HD3 H 3.996 0 . 234 27 27 PRO C C 179.408 0 . 235 27 27 PRO CA C 65.709 0 . 236 27 27 PRO CB C 32.11 0 . 237 27 27 PRO CG C 27.967 0 . 238 27 27 PRO CD C 51.153 0 . 239 28 28 ALA H H 9.012 0 . 240 28 28 ALA HA H 4.257 0 . 241 28 28 ALA HB H 1.454 0 . 242 28 28 ALA C C 180.595 0 . 243 28 28 ALA CA C 55.204 0 . 244 28 28 ALA CB C 18.568 0 . 245 28 28 ALA N N 119.756 0 . 246 29 29 LEU H H 6.955 0 . 247 29 29 LEU HA H 4.174 0 . 248 29 29 LEU HB2 H 0.851 0 . 249 29 29 LEU HB3 H 1.561 0 . 250 29 29 LEU HG H 0.924 0 . 251 29 29 LEU HD1 H 0.599 0 . 252 29 29 LEU HD2 H 0.794 0 . 253 29 29 LEU C C 177.943 0 . 254 29 29 LEU CA C 57.065 0 . 255 29 29 LEU CB C 40.94 0 . 256 29 29 LEU CG C 21.282 0 . 257 29 29 LEU CD1 C 26.019 0 . 258 29 29 LEU CD2 C 22.81 0 . 259 29 29 LEU N N 118.693 0 . 260 30 30 LEU H H 7.817 0 . 261 30 30 LEU HA H 3.883 0 . 262 30 30 LEU HB2 H 1.434 0 . 263 30 30 LEU HG H 1.76 0 . 264 30 30 LEU HD1 H 0.759 0 . 265 30 30 LEU HD2 H 0.83 0 . 266 30 30 LEU C C 179.202 0 . 267 30 30 LEU CA C 58.401 0 . 268 30 30 LEU CB C 41.544 0 . 269 30 30 LEU CG C 27.033 0 . 270 30 30 LEU CD1 C 25 0 . 271 30 30 LEU CD2 C 21.882 0 . 272 30 30 LEU N N 119.14 0 . 273 31 31 GLY H H 8.501 0 . 274 31 31 GLY HA2 H 4.036 0 . 275 31 31 GLY HA3 H 3.758 0 . 276 31 31 GLY C C 176.678 0 . 277 31 31 GLY CA C 47.507 0 . 278 31 31 GLY N N 104.878 0 . 279 32 32 GLU H H 7.774 0 . 280 32 32 GLU HA H 4.23 0 . 281 32 32 GLU HB2 H 2.164 0 . 282 32 32 GLU HB3 H 2.2 0 . 283 32 32 GLU HG2 H 2.536 0 . 284 32 32 GLU HG3 H 2.588 0 . 285 32 32 GLU C C 178.616 0 . 286 32 32 GLU CA C 59.518 0 . 287 32 32 GLU CB C 29.869 0 . 288 32 32 GLU CG C 36.6 0 . 289 32 32 GLU N N 123.49 0 . 290 33 33 LEU H H 8.646 0 . 291 33 33 LEU HA H 3.891 0 . 292 33 33 LEU HB2 H 1.445 0 . 293 33 33 LEU HB3 H 1.42 0 . 294 33 33 LEU HG H 1.261 0 . 295 33 33 LEU HD1 H 0.763 0 . 296 33 33 LEU HD2 H 0.781 0 . 297 33 33 LEU C C 178.68 0 . 298 33 33 LEU CA C 58.142 0 . 299 33 33 LEU CB C 42.261 0 . 300 33 33 LEU CG C 24.499 0 . 301 33 33 LEU CD1 C 23.83 0 . 302 33 33 LEU CD2 C 25.167 0 . 303 33 33 LEU N N 120.421 0 . 304 34 34 CYS H H 8.337 0 . 305 34 34 CYS HA H 4.458 0 . 306 34 34 CYS HB2 H 3.146 0 . 307 34 34 CYS HB3 H 3.128 0 . 308 34 34 CYS C C 175.445 0 . 309 34 34 CYS CA C 63.948 0 . 310 34 34 CYS CB C 26.483 0 . 311 34 34 CYS N N 115.598 0 . 312 35 35 ALA H H 7.816 0 . 313 35 35 ALA HA H 4.118 0 . 314 35 35 ALA HB H 1.589 0 . 315 35 35 ALA C C 181.074 0 . 316 35 35 ALA CA C 55.451 0 . 317 35 35 ALA CB C 17.918 0 . 318 35 35 ALA N N 120.601 0 . 319 36 36 VAL H H 8.037 0 . 320 36 36 VAL HA H 3.869 0 . 321 36 36 VAL HB H 2.232 0 . 322 36 36 VAL HG1 H 1.155 0 . 323 36 36 VAL HG2 H 0.909 0 . 324 36 36 VAL C C 179.208 0 . 325 36 36 VAL CA C 66.026 0 . 326 36 36 VAL CB C 31.945 0 . 327 36 36 VAL CG1 C 23.229 0 . 328 36 36 VAL CG2 C 21.406 0 . 329 36 36 VAL N N 117.445 0 . 330 37 37 LEU H H 8.124 0 . 331 37 37 LEU HA H 4.331 0 . 332 37 37 LEU HB2 H 1.625 0 . 333 37 37 LEU HB3 H 2.175 0 . 334 37 37 LEU HG H 1.675 0 . 335 37 37 LEU HD1 H 0.683 0 . 336 37 37 LEU HD2 H 0.653 0 . 337 37 37 LEU C C 179.642 0 . 338 37 37 LEU CA C 59.697 0 . 339 37 37 LEU CB C 42.165 0 . 340 37 37 LEU CG C 27.248 0 . 341 37 37 LEU CD1 C 24.96 0 . 342 37 37 LEU N N 122.245 0 . 343 38 38 ASP H H 9.074 0 . 344 38 38 ASP HA H 5.012 0 . 345 38 38 ASP HB2 H 2.899 0 . 346 38 38 ASP HB3 H 2.883 0 . 347 38 38 ASP C C 177.931 0 . 348 38 38 ASP CA C 56.929 0 . 349 38 38 ASP CB C 40.611 0 . 350 38 38 ASP N N 118.39 0 . 351 39 39 SER H H 7.557 0 . 352 39 39 SER HA H 4.619 0 . 353 39 39 SER HB2 H 4.181 0 . 354 39 39 SER HB3 H 4.222 0 . 355 39 39 SER C C 174.148 0 . 356 39 39 SER CA C 59.521 0 . 357 39 39 SER CB C 64.188 0 . 358 39 39 SER N N 112.508 0 . 359 40 40 CYS H H 7.561 0 . 360 40 40 CYS HA H 4.719 0 . 361 40 40 CYS HB2 H 2.718 0 . 362 40 40 CYS HB3 H 3.067 0 . 363 40 40 CYS C C 173.241 0 . 364 40 40 CYS CA C 59.015 0 . 365 40 40 CYS CB C 29.666 0 . 366 40 40 CYS N N 120.777 0 . 367 41 41 ASP H H 8.596 0 . 368 41 41 ASP HA H 4.837 0 . 369 41 41 ASP HB2 H 2.735 0 . 370 41 41 ASP C C 176.873 0 . 371 41 41 ASP CA C 53.575 0 . 372 41 41 ASP CB C 42.664 0 . 373 41 41 ASP N N 122.583 0 . 374 42 42 GLY H H 8.411 0 . 375 42 42 GLY HA2 H 3.907 0 . 376 42 42 GLY HA3 H 3.829 0 . 377 42 42 GLY C C 175.872 0 . 378 42 42 GLY CA C 46.296 0 . 379 42 42 GLY N N 108.864 0 . 380 43 43 ALA H H 8.758 0 . 381 43 43 ALA HA H 4.019 0 . 382 43 43 ALA HB H 1.456 0 . 383 43 43 ALA C C 177.604 0 . 384 43 43 ALA CA C 54.237 0 . 385 43 43 ALA CB C 18.869 0 . 386 43 43 ALA N N 127.489 0 . 387 44 44 LEU H H 7.666 0 . 388 44 44 LEU HA H 4.47 0 . 389 44 44 LEU HB2 H 1.188 0 . 390 44 44 LEU HB3 H 1.417 0 . 391 44 44 LEU HG H 1.275 0 . 392 44 44 LEU HD1 H 0.79 0 . 393 44 44 LEU HD2 H 0.855 0 . 394 44 44 LEU C C 176.16 0 . 395 44 44 LEU CA C 54.282 0 . 396 44 44 LEU CB C 42.176 0 . 397 44 44 LEU CG C 27.033 0 . 398 44 44 LEU CD1 C 25.289 0 . 399 44 44 LEU CD2 C 23.717 0 . 400 44 44 LEU N N 114.866 0 . 401 45 45 GLY H H 7.336 0 . 402 45 45 GLY HA2 H 3.907 0 . 403 45 45 GLY C C 175.55 0 . 404 45 45 GLY CA C 44.472 0 . 405 45 45 GLY N N 106.178 0 . 406 46 46 TRP H H 8.359 0 . 407 46 46 TRP HA H 4.137 0 . 408 46 46 TRP HB2 H 3.238 0 . 409 46 46 TRP HB3 H 3.519 0 . 410 46 46 TRP HD1 H 7.696 0 . 411 46 46 TRP HE1 H 10.288 0 . 412 46 46 TRP C C 177.747 0 . 413 46 46 TRP CA C 60.353 0 . 414 46 46 TRP CB C 27.761 0 . 415 46 46 TRP CD1 C 126.77 0 . 416 46 46 TRP N N 120.247 0 . 417 46 46 TRP NE1 N 129.17 0 . 418 47 47 ARG H H 7.789 0 . 419 47 47 ARG HA H 3.352 0 . 420 47 47 ARG HB2 H 0.9 0 . 421 47 47 ARG HB3 H 1.251 0 . 422 47 47 ARG HG2 H 1.277 0 . 423 47 47 ARG HG3 H 0.289 0 . 424 47 47 ARG HD2 H 2.697 0 . 425 47 47 ARG HD3 H 2.686 0 . 426 47 47 ARG C C 179.512 0 . 427 47 47 ARG CA C 60.074 0 . 428 47 47 ARG CB C 28.833 0 . 429 47 47 ARG CG C 27.241 0 . 430 47 47 ARG CD C 42.759 0 . 431 47 47 ARG N N 122.026 0 . 432 48 48 GLY H H 7.317 0 . 433 48 48 GLY HA2 H 3.813 0 . 434 48 48 GLY C C 176.796 0 . 435 48 48 GLY CA C 46.406 0 . 436 48 48 GLY N N 107.996 0 . 437 49 49 LEU H H 7.807 0 . 438 49 49 LEU HA H 4.1 0 . 439 49 49 LEU HB2 H 1.357 0 . 440 49 49 LEU HB3 H 1.341 0 . 441 49 49 LEU HG H 1.422 0 . 442 49 49 LEU HD1 H 0.776 0 . 443 49 49 LEU HD2 H 0.756 0 . 444 49 49 LEU C C 178.094 0 . 445 49 49 LEU CA C 57.959 0 . 446 49 49 LEU CB C 41.703 0 . 447 49 49 LEU CG C 27.085 0 . 448 49 49 LEU CD1 C 24.31 0 . 449 49 49 LEU CD2 C 25.802 0 . 450 49 49 LEU N N 123.579 0 . 451 50 50 ALA H H 8.776 0 . 452 50 50 ALA HA H 3.854 0 . 453 50 50 ALA HB H 1.587 0 . 454 50 50 ALA C C 179.875 0 . 455 50 50 ALA CA C 55.455 0 . 456 50 50 ALA CB C 18.076 0 . 457 50 50 ALA N N 120.323 0 . 458 51 51 GLU H H 7.595 0 . 459 51 51 GLU HA H 4.148 0 . 460 51 51 GLU HB2 H 2.09 0 . 461 51 51 GLU HB3 H 2.149 0 . 462 51 51 GLU HG2 H 2.112 0 . 463 51 51 GLU HG3 H 2.435 0 . 464 51 51 GLU C C 179.146 0 . 465 51 51 GLU CA C 59.078 0 . 466 51 51 GLU CB C 29.69 0 . 467 51 51 GLU CG C 36.159 0 . 468 51 51 GLU N N 116.425 0 . 469 52 52 ARG H H 7.546 0 . 470 52 52 ARG HA H 4.231 0 . 471 52 52 ARG HB3 H 1.923 0 . 472 52 52 ARG HG2 H 1.865 0 . 473 52 52 ARG HG3 H 1.852 0 . 474 52 52 ARG HD2 H 3.241 0 . 475 52 52 ARG C C 177.824 0 . 476 52 52 ARG CA C 57.35 0 . 477 52 52 ARG CB C 30.275 0 . 478 52 52 ARG CG C 27.565 0 . 479 52 52 ARG CD C 43.349 0 . 480 52 52 ARG N N 117.86 0 . 481 53 53 LEU H H 7.829 0 . 482 53 53 LEU HA H 4.105 0 . 483 53 53 LEU HB2 H 1.392 0 . 484 53 53 LEU HB3 H 1.155 0 . 485 53 53 LEU HG H 1.221 0 . 486 53 53 LEU HD1 H -0.185 0 . 487 53 53 LEU HD2 H -0.099 0 . 488 53 53 LEU C C 177.026 0 . 489 53 53 LEU CA C 55.284 0 . 490 53 53 LEU CB C 41.231 0 . 491 53 53 LEU CG C 25.662 0 . 492 53 53 LEU CD1 C 21.573 0 . 493 53 53 LEU CD2 C 23.613 0 . 494 53 53 LEU N N 118.635 0 . 495 54 54 SER H H 7.667 0 . 496 54 54 SER HB2 H 3.771 0 . 497 54 54 SER CB C 62.568 0 . 498 54 54 SER N N 113.43 0 . 499 55 55 SER HA H 4.233 0 . 500 55 55 SER HB2 H 4 0 . 501 55 55 SER HB3 H 4.044 0 . 502 55 55 SER C C 174.824 0 . 503 55 55 SER CA C 59.319 0 . 504 55 55 SER CB C 62.945 0 . 505 56 56 SER H H 8.255 0 . 506 56 56 SER C C 174.646 0 . 507 56 56 SER CA C 58.509 0 . 508 56 56 SER CB C 63.879 0 . 509 56 56 SER N N 116.932 0 . 510 57 57 TRP H H 8.384 0 . 511 57 57 TRP HA H 4.659 0 . 512 57 57 TRP HB2 H 3.316 0 . 513 57 57 TRP HB3 H 3.5 0 . 514 57 57 TRP HD1 H 7.382 0 . 515 57 57 TRP HE1 H 10.28 0 . 516 57 57 TRP HH2 H 7.114 0 . 517 57 57 TRP CA C 56.769 0 . 518 57 57 TRP CD1 C 126.262 0 . 519 57 57 TRP CH2 C 123.396 0 . 520 57 57 TRP N N 123.289 0 . 521 57 57 TRP NE1 N 129.696 0 . 522 58 58 LEU H H 8.333 0 . 523 58 58 LEU HA H 4.434 0 . 524 58 58 LEU HB2 H 1.613 0 . 525 58 58 LEU HD1 H 0.864 0 . 526 58 58 LEU HD2 H 0.932 0 . 527 58 58 LEU C C 176.106 0 . 528 58 58 LEU CA C 54.869 0 . 529 58 58 LEU CB C 42.595 0 . 530 58 58 LEU CD1 C 23.62 0 . 531 58 58 LEU CD2 C 23.497 0 . 532 58 58 LEU N N 125.954 0 . 533 59 59 ASP H H 8.01 0 . 534 59 59 ASP HA H 4.533 0 . 535 59 59 ASP HB2 H 2.762 0 . 536 59 59 ASP C C 177.419 0 . 537 59 59 ASP CA C 58.068 0 . 538 59 59 ASP CB C 42.371 0 . 539 59 59 ASP N N 116.655 0 . 540 60 60 VAL H H 8.157 0 . 541 60 60 VAL HA H 3.807 0 . 542 60 60 VAL HB H 2.23 0 . 543 60 60 VAL HG1 H 1.064 0 . 544 60 60 VAL C C 177.198 0 . 545 60 60 VAL CA C 66.14 0 . 546 60 60 VAL CB C 31.839 0 . 547 60 60 VAL CG1 C 22.313 0 . 548 60 60 VAL CG2 C 21.454 0 . 549 60 60 VAL N N 121.552 0 . 550 61 61 ASP H H 8.283 0 . 551 61 61 ASP HA H 4.445 0 . 552 61 61 ASP HB2 H 2.659 0 . 553 61 61 ASP C C 178.123 0 . 554 61 61 ASP CA C 57.505 0 . 555 61 61 ASP CB C 41.334 0 . 556 61 61 ASP N N 120.8 0 . 557 62 62 HIS H H 7.948 0 . 558 62 62 HIS HA H 4.378 0 . 559 62 62 HIS HB2 H 3.371 0 . 560 62 62 HIS HD2 H 7.139 0 . 561 62 62 HIS C C 176.981 0 . 562 62 62 HIS CA C 59 0 . 563 62 62 HIS CB C 29.247 0 . 564 62 62 HIS CD2 C 118.421 0 . 565 62 62 HIS N N 117.36 0 . 566 63 63 ILE H H 7.863 0 . 567 63 63 ILE HA H 3.368 0 . 568 63 63 ILE HB H 1.917 0 . 569 63 63 ILE HG12 H 1.75 0 . 570 63 63 ILE HG13 H 1.069 0 . 571 63 63 ILE HG2 H 0.224 0 . 572 63 63 ILE HD1 H 0.818 0 . 573 63 63 ILE C C 177.618 0 . 574 63 63 ILE CA C 64.831 0 . 575 63 63 ILE CB C 37.206 0 . 576 63 63 ILE CG1 C 27.224 0 . 577 63 63 ILE CG2 C 18.207 0 . 578 63 63 ILE CD1 C 12.661 0 . 579 63 63 ILE N N 119.704 0 . 580 64 64 GLU H H 8.673 0 . 581 64 64 GLU HA H 4.061 0 . 582 64 64 GLU HB2 H 2.16 0 . 583 64 64 GLU HG2 H 2.312 0 . 584 64 64 GLU C C 178.802 0 . 585 64 64 GLU CA C 59.845 0 . 586 64 64 GLU CB C 29.583 0 . 587 64 64 GLU CG C 36.466 0 . 588 64 64 GLU N N 120.039 0 . 589 65 65 LYS H H 7.694 0 . 590 65 65 LYS HA H 4.17 0 . 591 65 65 LYS HB2 H 1.933 0 . 592 65 65 LYS HG2 H 1.433 0 . 593 65 65 LYS HD2 H 1.696 0 . 594 65 65 LYS HD3 H 1.724 0 . 595 65 65 LYS HE3 H 3.025 0 . 596 65 65 LYS C C 179.39 0 . 597 65 65 LYS CA C 58.954 0 . 598 65 65 LYS CB C 32.236 0 . 599 65 65 LYS CG C 24.761 0 . 600 65 65 LYS CD C 28.923 0 . 601 65 65 LYS CE C 42.314 0 . 602 65 65 LYS N N 118.489 0 . 603 66 66 GLU H H 7.721 0 . 604 66 66 GLU HA H 4.212 0 . 605 66 66 GLU HB2 H 1.98 0 . 606 66 66 GLU HG2 H 2.185 0 . 607 66 66 GLU HG3 H 2.138 0 . 608 66 66 GLU C C 179.423 0 . 609 66 66 GLU CA C 59.252 0 . 610 66 66 GLU CB C 28.419 0 . 611 66 66 GLU CG C 36.092 0 . 612 66 66 GLU N N 119.905 0 . 613 67 67 VAL H H 8.5 0 . 614 67 67 VAL HA H 4.148 0 . 615 67 67 VAL HB H 2.071 0 . 616 67 67 VAL HG1 H 1.051 0 . 617 67 67 VAL HG2 H 0.924 0 . 618 67 67 VAL C C 180.817 0 . 619 67 67 VAL CA C 65.176 0 . 620 67 67 VAL CG1 C 21.263 0 . 621 67 67 VAL CG2 C 21.144 0 . 622 67 67 VAL N N 123.269 0 . 623 68 68 ASP H H 8.244 0 . 624 68 68 ASP HA H 4.575 0 . 625 68 68 ASP HB2 H 2.877 0 . 626 68 68 ASP HB3 H 2.806 0 . 627 68 68 ASP C C 177.468 0 . 628 68 68 ASP CA C 56.91 0 . 629 68 68 ASP CB C 40.997 0 . 630 68 68 ASP N N 122.538 0 . 631 69 69 GLN H H 7.496 0 . 632 69 69 GLN HA H 4.435 0 . 633 69 69 GLN HB2 H 2.123 0 . 634 69 69 GLN HG2 H 2.467 0 . 635 69 69 GLN HE21 H 7.362 0 . 636 69 69 GLN HE22 H 6.831 0 . 637 69 69 GLN C C 176.277 0 . 638 69 69 GLN CA C 55.581 0 . 639 69 69 GLN CB C 29.187 0 . 640 69 69 GLN CG C 34.089 0 . 641 69 69 GLN N N 116.239 0 . 642 69 69 GLN NE2 N 112.318 0 . 643 70 70 GLY H H 8.19 0 . 644 70 70 GLY HA2 H 4.295 0 . 645 70 70 GLY HA3 H 4.004 0 . 646 70 70 GLY C C 174.801 0 . 647 70 70 GLY CA C 45.413 0 . 648 70 70 GLY N N 107.957 0 . 649 71 71 LYS H H 7.712 0 . 650 71 71 LYS HA H 4.346 0 . 651 71 71 LYS HB2 H 1.33 0 . 652 71 71 LYS HB3 H 1.316 0 . 653 71 71 LYS HG2 H 1.323 0 . 654 71 71 LYS HG3 H 1.396 0 . 655 71 71 LYS HD2 H 1.601 0 . 656 71 71 LYS HE2 H 2.895 0 . 657 71 71 LYS HE3 H 2.918 0 . 658 71 71 LYS C C 175.686 0 . 659 71 71 LYS CA C 55.583 0 . 660 71 71 LYS CB C 32.971 0 . 661 71 71 LYS CG C 25.51 0 . 662 71 71 LYS CD C 28.729 0 . 663 71 71 LYS CE C 42.342 0 . 664 71 71 LYS N N 120.133 0 . 665 72 72 SER H H 8.221 0 . 666 72 72 SER HA H 3.76 0 . 667 72 72 SER HB2 H 3.722 0 . 668 72 72 SER CA C 62.68 0 . 669 72 72 SER CB C 64.993 0 . 670 72 72 SER N N 113.83 0 . 671 73 73 GLY H H 7.968 0 . 672 73 73 GLY HA2 H 2.93 0 . 673 73 73 GLY HA3 H 2.285 0 . 674 73 73 GLY C C 174.837 0 . 675 73 73 GLY CA C 46.418 0 . 676 73 73 GLY N N 118.299 0 . 677 74 74 THR H H 8.953 0 . 678 74 74 THR HA H 3.701 0 . 679 74 74 THR HB H 3.905 0 . 680 74 74 THR HG2 H 1.159 0 . 681 74 74 THR C C 176.234 0 . 682 74 74 THR CA C 68.466 0 . 683 74 74 THR CB C 67.793 0 . 684 74 74 THR CG2 C 23.163 0 . 685 74 74 THR N N 118.494 0 . 686 75 75 ARG H H 8.602 0 . 687 75 75 ARG HA H 3.719 0 . 688 75 75 ARG HB2 H 1.59 0 . 689 75 75 ARG HG2 H 1.57 0 . 690 75 75 ARG HD3 H 3.185 0 . 691 75 75 ARG C C 178.795 0 . 692 75 75 ARG CA C 60.795 0 . 693 75 75 ARG CB C 29.948 0 . 694 75 75 ARG CG C 28.095 0 . 695 75 75 ARG CD C 43.159 0 . 696 75 75 ARG N N 123.055 0 . 697 76 76 GLU H H 7.745 0 . 698 76 76 GLU HA H 4.162 0 . 699 76 76 GLU HB2 H 1.94 0 . 700 76 76 GLU HB3 H 1.887 0 . 701 76 76 GLU HG2 H 2.138 0 . 702 76 76 GLU HG3 H 2.106 0 . 703 76 76 GLU C C 179.686 0 . 704 76 76 GLU CA C 58.772 0 . 705 76 76 GLU CB C 30.278 0 . 706 76 76 GLU CG C 36.056 0 . 707 76 76 GLU N N 116.557 0 . 708 77 77 LEU H H 8.325 0 . 709 77 77 LEU HA H 3.86 0 . 710 77 77 LEU HB2 H 1.352 0 . 711 77 77 LEU HG H 1.26 0 . 712 77 77 LEU HD1 H 0.928 0 . 713 77 77 LEU HD2 H 0.867 0 . 714 77 77 LEU C C 179.044 0 . 715 77 77 LEU CA C 58.438 0 . 716 77 77 LEU CB C 42.664 0 . 717 77 77 LEU CG C 26.695 0 . 718 77 77 LEU CD1 C 24.972 0 . 719 77 77 LEU CD2 C 23.621 0 . 720 77 77 LEU N N 121.837 0 . 721 78 78 LEU H H 9.036 0 . 722 78 78 LEU HA H 4.188 0 . 723 78 78 LEU HB2 H 2.09 0 . 724 78 78 LEU HB3 H 1.449 0 . 725 78 78 LEU HG H 0.725 0 . 726 78 78 LEU HD1 H 0.825 0 . 727 78 78 LEU HD2 H 0.823 0 . 728 78 78 LEU C C 179.211 0 . 729 78 78 LEU CA C 58.218 0 . 730 78 78 LEU CB C 41.205 0 . 731 78 78 LEU CG C 26.022 0 . 732 78 78 LEU CD1 C 26.12 0 . 733 78 78 LEU CD2 C 23.088 0 . 734 78 78 LEU N N 117.754 0 . 735 79 79 TRP H H 8.836 0 . 736 79 79 TRP HA H 4.401 0 . 737 79 79 TRP HB2 H 3.394 0 . 738 79 79 TRP HB3 H 3.366 0 . 739 79 79 TRP HD1 H 7.254 0 . 740 79 79 TRP HE1 H 10.064 0 . 741 79 79 TRP HZ2 H 7.495 0 . 742 79 79 TRP C C 178.498 0 . 743 79 79 TRP CA C 60.357 0 . 744 79 79 TRP CB C 29.227 0 . 745 79 79 TRP CD1 C 125.912 0 . 746 79 79 TRP CZ2 C 113.653 0 . 747 79 79 TRP N N 121.082 0 . 748 79 79 TRP NE1 N 128.583 0 . 749 80 80 SER H H 7.978 0 . 750 80 80 SER HA H 4.453 0 . 751 80 80 SER HB2 H 3.871 0 . 752 80 80 SER C C 179.497 0 . 753 80 80 SER CA C 58.312 0 . 754 80 80 SER CB C 63.844 0 . 755 80 80 SER N N 113.85 0 . 756 81 81 TRP H H 8.513 0 . 757 81 81 TRP HA H 4.501 0 . 758 81 81 TRP HB2 H 3.274 0 . 759 81 81 TRP HD1 H 7.296 0 . 760 81 81 TRP HE1 H 10.479 0 . 761 81 81 TRP C C 178.273 0 . 762 81 81 TRP CA C 60.309 0 . 763 81 81 TRP CB C 29.122 0 . 764 81 81 TRP CD1 C 124.798 0 . 765 81 81 TRP N N 123.31 0 . 766 81 81 TRP NE1 N 130.023 0 . 767 82 82 ALA H H 8.877 0 . 768 82 82 ALA HA H 3.617 0 . 769 82 82 ALA HB H 1.149 0 . 770 82 82 ALA C C 179.407 0 . 771 82 82 ALA CA C 54.4 0 . 772 82 82 ALA CB C 18.484 0 . 773 82 82 ALA N N 119.008 0 . 774 83 83 GLN H H 7.372 0 . 775 83 83 GLN HA H 3.801 0 . 776 83 83 GLN HB2 H 2.153 0 . 777 83 83 GLN HB3 H 1.975 0 . 778 83 83 GLN HG2 H 2.231 0 . 779 83 83 GLN HG3 H 2.206 0 . 780 83 83 GLN HE21 H 6.597 0 . 781 83 83 GLN HE22 H 6.228 0 . 782 83 83 GLN C C 176.322 0 . 783 83 83 GLN CA C 57.265 0 . 784 83 83 GLN CB C 28.382 0 . 785 83 83 GLN CG C 33.543 0 . 786 83 83 GLN N N 114.025 0 . 787 83 83 GLN NE2 N 111.914 0 . 788 84 84 LYS H H 7.427 0 . 789 84 84 LYS HA H 4.436 0 . 790 84 84 LYS HB2 H 2.01 0 . 791 84 84 LYS HB3 H 1.981 0 . 792 84 84 LYS HG2 H 1.268 0 . 793 84 84 LYS HG3 H 1.22 0 . 794 84 84 LYS HD2 H 1.549 0 . 795 84 84 LYS HD3 H 1.527 0 . 796 84 84 LYS HE2 H 3.025 0 . 797 84 84 LYS C C 175.04 0 . 798 84 84 LYS CA C 55.029 0 . 799 84 84 LYS CB C 30.684 0 . 800 84 84 LYS CG C 24.767 0 . 801 84 84 LYS CD C 28.563 0 . 802 84 84 LYS CE C 42.36 0 . 803 84 84 LYS N N 118.159 0 . 804 85 85 ASN H H 8.099 0 . 805 85 85 ASN HA H 4.403 0 . 806 85 85 ASN HB2 H 2.908 0 . 807 85 85 ASN HB3 H 2.896 0 . 808 85 85 ASN HD21 H 7.46 0 . 809 85 85 ASN HD22 H 6.79 0 . 810 85 85 ASN C C 173.913 0 . 811 85 85 ASN CA C 54.511 0 . 812 85 85 ASN CB C 37.052 0 . 813 85 85 ASN N N 114.245 0 . 814 85 85 ASN ND2 N 112.337 0 . 815 86 86 LYS H H 6.425 0 . 816 86 86 LYS HA H 4.2 0 . 817 86 86 LYS HB3 H 1.811 0 . 818 86 86 LYS HG2 H 1.433 0 . 819 86 86 LYS HD2 H 1.698 0 . 820 86 86 LYS HD3 H 1.709 0 . 821 86 86 LYS HE3 H 3.022 0 . 822 86 86 LYS C C 177.302 0 . 823 86 86 LYS CA C 53.913 0 . 824 86 86 LYS CB C 32.641 0 . 825 86 86 LYS CG C 24.744 0 . 826 86 86 LYS CD C 29.089 0 . 827 86 86 LYS CE C 42.234 0 . 828 86 86 LYS N N 114.316 0 . 829 87 87 THR H H 9.48 0 . 830 87 87 THR HA H 5.006 0 . 831 87 87 THR HB H 4.711 0 . 832 87 87 THR HG2 H 1.176 0 . 833 87 87 THR C C 176.337 0 . 834 87 87 THR CA C 60.356 0 . 835 87 87 THR CB C 73.517 0 . 836 87 87 THR CG2 C 22.006 0 . 837 87 87 THR N N 112.697 0 . 838 88 88 ILE H H 8.913 0 . 839 88 88 ILE HA H 3.927 0 . 840 88 88 ILE HB H 1.971 0 . 841 88 88 ILE HG12 H 1.532 0 . 842 88 88 ILE HG13 H 1.119 0 . 843 88 88 ILE HG2 H 0.904 0 . 844 88 88 ILE HD1 H 0.944 0 . 845 88 88 ILE C C 177.217 0 . 846 88 88 ILE CA C 63.424 0 . 847 88 88 ILE CB C 37.423 0 . 848 88 88 ILE CG1 C 29.307 0 . 849 88 88 ILE CG2 C 18.72 0 . 850 88 88 ILE CD1 C 13.346 0 . 851 88 88 ILE N N 118.87 0 . 852 89 89 GLY H H 9.012 0 . 853 89 89 GLY HA2 H 4.043 0 . 854 89 89 GLY HA3 H 3.795 0 . 855 89 89 GLY C C 176.348 0 . 856 89 89 GLY CA C 47.341 0 . 857 89 89 GLY N N 110.864 0 . 858 90 90 ASP H H 7.945 0 . 859 90 90 ASP C C 179.101 0 . 860 90 90 ASP CA C 57.931 0 . 861 90 90 ASP CB C 41.348 0 . 862 90 90 ASP N N 122.75 0 . 863 91 91 LEU H H 7.98 0 . 864 91 91 LEU HA H 4.426 0 . 865 91 91 LEU HB2 H 2.332 0 . 866 91 91 LEU HB3 H 1.519 0 . 867 91 91 LEU HG H 1.624 0 . 868 91 91 LEU HD1 H 0.908 0 . 869 91 91 LEU HD2 H 0.88 0 . 870 91 91 LEU C C 178.009 0 . 871 91 91 LEU CA C 57.758 0 . 872 91 91 LEU CB C 42.034 0 . 873 91 91 LEU CG C 27.011 0 . 874 91 91 LEU CD1 C 22.797 0 . 875 91 91 LEU CD2 C 26.584 0 . 876 91 91 LEU N N 120.929 0 . 877 92 92 LEU H H 9.27 0 . 878 92 92 LEU HA H 3.902 0 . 879 92 92 LEU HB2 H 1.975 0 . 880 92 92 LEU HG H 1.629 0 . 881 92 92 LEU HD1 H 0.865 0 . 882 92 92 LEU HD2 H 0.882 0 . 883 92 92 LEU C C 178.459 0 . 884 92 92 LEU CA C 58.576 0 . 885 92 92 LEU CB C 41.88 0 . 886 92 92 LEU CG C 27.097 0 . 887 92 92 LEU CD2 C 25.067 0 . 888 92 92 LEU N N 120.209 0 . 889 93 93 GLN H H 7.802 0 . 890 93 93 GLN HA H 4.117 0 . 891 93 93 GLN HB2 H 2.341 0 . 892 93 93 GLN HG3 H 2.541 0 . 893 93 93 GLN HE21 H 7.722 0 . 894 93 93 GLN HE22 H 6.882 0 . 895 93 93 GLN C C 178.55 0 . 896 93 93 GLN CA C 59.611 0 . 897 93 93 GLN CB C 28.386 0 . 898 93 93 GLN CG C 33.698 0 . 899 93 93 GLN N N 117.328 0 . 900 93 93 GLN NE2 N 112.655 0 . 901 94 94 VAL H H 7.368 0 . 902 94 94 VAL HA H 3.894 0 . 903 94 94 VAL HB H 2.237 0 . 904 94 94 VAL HG1 H 0.915 0 . 905 94 94 VAL HG2 H 0.888 0 . 906 94 94 VAL C C 178.298 0 . 907 94 94 VAL CA C 66.016 0 . 908 94 94 VAL CB C 31.842 0 . 909 94 94 VAL CG1 C 21.421 0 . 910 94 94 VAL CG2 C 21.909 0 . 911 94 94 VAL N N 119.238 0 . 912 95 95 LEU H H 8.586 0 . 913 95 95 LEU HA H 4.194 0 . 914 95 95 LEU HB2 H 1.411 0 . 915 95 95 LEU HB3 H 1.433 0 . 916 95 95 LEU HG H 0.695 0 . 917 95 95 LEU HD1 H 0.783 0 . 918 95 95 LEU HD2 H 0.823 0 . 919 95 95 LEU C C 179.965 0 . 920 95 95 LEU CA C 58.054 0 . 921 95 95 LEU CB C 41.852 0 . 922 95 95 LEU CG C 26.848 0 . 923 95 95 LEU CD1 C 24.313 0 . 924 95 95 LEU CD2 C 22.008 0 . 925 95 95 LEU N N 119.169 0 . 926 96 96 GLN H H 8.74 0 . 927 96 96 GLN HA H 4.06 0 . 928 96 96 GLN HB2 H 2.239 0 . 929 96 96 GLN HB3 H 2.095 0 . 930 96 96 GLN HG2 H 2.45 0 . 931 96 96 GLN HE21 H 7.3 0 . 932 96 96 GLN HE22 H 6.808 0 . 933 96 96 GLN C C 179.859 0 . 934 96 96 GLN CA C 59.29 0 . 935 96 96 GLN CB C 28.036 0 . 936 96 96 GLN CG C 33.927 0 . 937 96 96 GLN N N 120.045 0 . 938 96 96 GLN NE2 N 110.187 0 . 939 97 97 GLU H H 7.959 0 . 940 97 97 GLU HA H 4.227 0 . 941 97 97 GLU HB3 H 1.714 0 . 942 97 97 GLU HG3 H 2.372 0 . 943 97 97 GLU C C 178.872 0 . 944 97 97 GLU CA C 59.552 0 . 945 97 97 GLU CB C 29.26 0 . 946 97 97 GLU CG C 36.608 0 . 947 97 97 GLU N N 122.427 0 . 948 98 98 MET H H 7.999 0 . 949 98 98 MET HA H 4.106 0 . 950 98 98 MET HB2 H 2.589 0 . 951 98 98 MET HB3 H 2.209 0 . 952 98 98 MET HG2 H 2.625 0 . 953 98 98 MET C C 176.062 0 . 954 98 98 MET CA C 57.182 0 . 955 98 98 MET CB C 35.773 0 . 956 98 98 MET N N 115.146 0 . 957 99 99 GLY H H 7.828 0 . 958 99 99 GLY HA2 H 3.937 0 . 959 99 99 GLY HA3 H 4.009 0 . 960 99 99 GLY C C 175.751 0 . 961 99 99 GLY CA C 45.798 0 . 962 99 99 GLY N N 107.337 0 . 963 100 100 HIS H H 8.126 0 . 964 100 100 HIS HA H 4.59 0 . 965 100 100 HIS HB2 H 3.697 0 . 966 100 100 HIS HB3 H 2.608 0 . 967 100 100 HIS C C 174.881 0 . 968 100 100 HIS CA C 55.876 0 . 969 100 100 HIS CB C 30.107 0 . 970 100 100 HIS N N 121.824 0 . 971 101 101 ARG H H 8.032 0 . 972 101 101 ARG HA H 3.927 0 . 973 101 101 ARG HB2 H 1.915 0 . 974 101 101 ARG HG2 H 1.691 0 . 975 101 101 ARG HG3 H 1.76 0 . 976 101 101 ARG HD2 H 3.253 0 . 977 101 101 ARG C C 178.483 0 . 978 101 101 ARG CA C 59.981 0 . 979 101 101 ARG CB C 30.239 0 . 980 101 101 ARG CG C 27.261 0 . 981 101 101 ARG CD C 43.094 0 . 982 101 101 ARG N N 123.981 0 . 983 102 102 ARG H H 9.054 0 . 984 102 102 ARG HA H 4.205 0 . 985 102 102 ARG HB2 H 2.001 0 . 986 102 102 ARG HB3 H 1.925 0 . 987 102 102 ARG HG2 H 1.869 0 . 988 102 102 ARG HG3 H 1.84 0 . 989 102 102 ARG HD2 H 3.25 0 . 990 102 102 ARG HD3 H 3.349 0 . 991 102 102 ARG C C 178.9 0 . 992 102 102 ARG CA C 59.63 0 . 993 102 102 ARG CB C 30.459 0 . 994 102 102 ARG CG C 27.695 0 . 995 102 102 ARG CD C 43.645 0 . 996 102 102 ARG N N 119.316 0 . 997 103 103 ALA H H 8.509 0 . 998 103 103 ALA HA H 3.979 0 . 999 103 103 ALA HB H 0.98 0 . 1000 103 103 ALA C C 178.379 0 . 1001 103 103 ALA CA C 55.251 0 . 1002 103 103 ALA CB C 18.927 0 . 1003 103 103 ALA N N 121.747 0 . 1004 104 104 ILE H H 8.073 0 . 1005 104 104 ILE HA H 3.445 0 . 1006 104 104 ILE HB H 1.836 0 . 1007 104 104 ILE HG12 H 0.865 0 . 1008 104 104 ILE HG2 H 0.935 0 . 1009 104 104 ILE HD1 H 0.735 0 . 1010 104 104 ILE C C 178.544 0 . 1011 104 104 ILE CA C 65.891 0 . 1012 104 104 ILE CB C 38.903 0 . 1013 104 104 ILE CG1 C 30.397 0 . 1014 104 104 ILE CG2 C 17.311 0 . 1015 104 104 ILE CD1 C 13.558 0 . 1016 104 104 ILE N N 116.469 0 . 1017 105 105 HIS H H 8.391 0 . 1018 105 105 HIS HA H 4.262 0 . 1019 105 105 HIS HB2 H 3.251 0 . 1020 105 105 HIS HB3 H 3.263 0 . 1021 105 105 HIS HD2 H 7.003 0 . 1022 105 105 HIS C C 177.104 0 . 1023 105 105 HIS CA C 59.782 0 . 1024 105 105 HIS CB C 30.385 0 . 1025 105 105 HIS CD2 C 118.637 0 . 1026 105 105 HIS N N 120.544 0 . 1027 106 106 LEU H H 7.658 0 . 1028 106 106 LEU HA H 4.136 0 . 1029 106 106 LEU HB2 H 1.784 0 . 1030 106 106 LEU HB3 H 1.926 0 . 1031 106 106 LEU HG H 0.899 0 . 1032 106 106 LEU HD1 H 0.948 0 . 1033 106 106 LEU HD2 H 0.928 0 . 1034 106 106 LEU C C 178.61 0 . 1035 106 106 LEU CA C 58.047 0 . 1036 106 106 LEU CB C 42.248 0 . 1037 106 106 LEU CG C 22.816 0 . 1038 106 106 LEU CD1 C 24.876 0 . 1039 106 106 LEU N N 118.144 0 . 1040 107 107 ILE H H 7.489 0 . 1041 107 107 ILE HA H 3.72 0 . 1042 107 107 ILE HB H 1.958 0 . 1043 107 107 ILE HG12 H 0.918 0 . 1044 107 107 ILE HG13 H 1.885 0 . 1045 107 107 ILE HG2 H 0.863 0 . 1046 107 107 ILE HD1 H 0.749 0 . 1047 107 107 ILE C C 178.091 0 . 1048 107 107 ILE CA C 64.893 0 . 1049 107 107 ILE CB C 38.629 0 . 1050 107 107 ILE CG1 C 29.418 0 . 1051 107 107 ILE CG2 C 18.085 0 . 1052 107 107 ILE CD1 C 13.673 0 . 1053 107 107 ILE N N 115.644 0 . 1054 108 108 THR H H 8.596 0 . 1055 108 108 THR HA H 4.122 0 . 1056 108 108 THR HB H 4.32 0 . 1057 108 108 THR HG2 H 1.279 0 . 1058 108 108 THR C C 176.575 0 . 1059 108 108 THR CA C 65.102 0 . 1060 108 108 THR CB C 69.258 0 . 1061 108 108 THR CG2 C 21.811 0 . 1062 108 108 THR N N 110.725 0 . 1063 109 109 ASN H H 7.95 0 . 1064 109 109 ASN HA H 4.965 0 . 1065 109 109 ASN HB3 H 2.693 0 . 1066 109 109 ASN HD21 H 7.328 0 . 1067 109 109 ASN HD22 H 6.691 0 . 1068 109 109 ASN C C 175.428 0 . 1069 109 109 ASN CA C 54.046 0 . 1070 109 109 ASN CB C 38.89 0 . 1071 109 109 ASN N N 118.457 0 . 1072 109 109 ASN ND2 N 113.087 0 . 1073 110 110 TYR H H 7.506 0 . 1074 110 110 TYR HA H 4.298 0 . 1075 110 110 TYR HB2 H 3.028 0 . 1076 110 110 TYR HB3 H 3.358 0 . 1077 110 110 TYR HD1 H 7.204 0 . 1078 110 110 TYR HE1 H 6.87 0 . 1079 110 110 TYR C C 176.626 0 . 1080 110 110 TYR CA C 60.647 0 . 1081 110 110 TYR CB C 38.605 0 . 1082 110 110 TYR CD1 C 132.549 0 . 1083 110 110 TYR CE1 C 116.716 0 . 1084 110 110 TYR N N 121.078 0 . 1085 111 111 GLY H H 8.155 0 . 1086 111 111 GLY HA2 H 3.963 0 . 1087 111 111 GLY HA3 H 3.614 0 . 1088 111 111 GLY C C 173.531 0 . 1089 111 111 GLY CA C 45.367 0 . 1090 111 111 GLY N N 111.694 0 . 1091 112 112 ALA H H 7.579 0 . 1092 112 112 ALA HA H 4.361 0 . 1093 112 112 ALA HB H 1.315 0 . 1094 112 112 ALA C C 177.071 0 . 1095 112 112 ALA CA C 52.507 0 . 1096 112 112 ALA CB C 19.397 0 . 1097 112 112 ALA N N 122.892 0 . 1098 113 113 VAL H H 8.069 0 . 1099 113 113 VAL HA H 4.151 0 . 1100 113 113 VAL HB H 2.069 0 . 1101 113 113 VAL HG1 H 0.93 0 . 1102 113 113 VAL HG2 H 0.938 0 . 1103 113 113 VAL C C 175.86 0 . 1104 113 113 VAL CA C 62.007 0 . 1105 113 113 VAL CB C 32.955 0 . 1106 113 113 VAL CG1 C 21.297 0 . 1107 113 113 VAL CG2 C 20.617 0 . 1108 113 113 VAL N N 118.843 0 . 1109 114 114 LEU H H 8.318 0 . 1110 114 114 LEU HA H 4.427 0 . 1111 114 114 LEU HB2 H 1.619 0 . 1112 114 114 LEU HB3 H 1.63 0 . 1113 114 114 LEU HD1 H 0.901 0 . 1114 114 114 LEU HD2 H 0.866 0 . 1115 114 114 LEU C C 176.891 0 . 1116 114 114 LEU CA C 54.869 0 . 1117 114 114 LEU CB C 42.649 0 . 1118 114 114 LEU CG C 27.191 0 . 1119 114 114 LEU CD1 C 23.578 0 . 1120 114 114 LEU N N 125.705 0 . 1121 115 115 SER H H 8.419 0 . 1122 115 115 SER HA H 4.38 0 . 1123 115 115 SER HB2 H 3.907 0 . 1124 115 115 SER CA C 56.351 0 . 1125 115 115 SER CB C 63.489 0 . 1126 115 115 SER N N 118.315 0 . 1127 116 116 PRO HA H 4.458 0 . 1128 116 116 PRO HB2 H 2.353 0 . 1129 116 116 PRO HB3 H 2.016 0 . 1130 116 116 PRO HG2 H 2.092 0 . 1131 116 116 PRO HG3 H 2.066 0 . 1132 116 116 PRO HD2 H 3.852 0 . 1133 116 116 PRO HD3 H 3.81 0 . 1134 116 116 PRO C C 177.255 0 . 1135 116 116 PRO CA C 63.779 0 . 1136 116 116 PRO CB C 32.082 0 . 1137 116 116 PRO CG C 27.432 0 . 1138 116 116 PRO CD C 50.763 0 . 1139 117 117 SER H H 8.32 0 . 1140 117 117 SER HA H 4.45 0 . 1141 117 117 SER HB3 H 3.92 0 . 1142 117 117 SER C C 174.852 0 . 1143 117 117 SER CA C 58.746 0 . 1144 117 117 SER CB C 63.695 0 . 1145 117 117 SER N N 115.034 0 . 1146 118 118 GLU H H 8.333 0 . 1147 118 118 GLU HA H 4.333 0 . 1148 118 118 GLU HB2 H 2.091 0 . 1149 118 118 GLU HB3 H 2.126 0 . 1150 118 118 GLU HG2 H 2.441 0 . 1151 118 118 GLU C C 176.556 0 . 1152 118 118 GLU CA C 56.833 0 . 1153 118 118 GLU CB C 30.043 0 . 1154 118 118 GLU CG C 36.35 0 . 1155 118 118 GLU N N 122.807 0 . 1156 119 119 LYS H H 8.264 0 . 1157 119 119 LYS HA H 4.332 0 . 1158 119 119 LYS HB2 H 1.75 0 . 1159 119 119 LYS HB3 H 1.798 0 . 1160 119 119 LYS HG2 H 1.428 0 . 1161 119 119 LYS HG3 H 1.438 0 . 1162 119 119 LYS HD3 H 1.695 0 . 1163 119 119 LYS HE2 H 3.008 0 . 1164 119 119 LYS C C 176.556 0 . 1165 119 119 LYS CA C 56.529 0 . 1166 119 119 LYS CB C 33.09 0 . 1167 119 119 LYS CG C 24.779 0 . 1168 119 119 LYS CD C 29.146 0 . 1169 119 119 LYS CE C 42.234 0 . 1170 119 119 LYS N N 121.727 0 . 1171 120 120 SER H H 8.272 0 . 1172 120 120 SER HA H 4.452 0 . 1173 120 120 SER HB3 H 3.87 0 . 1174 120 120 SER C C 175.496 0 . 1175 120 120 SER CA C 58.541 0 . 1176 120 120 SER CB C 63.802 0 . 1177 120 120 SER N N 116.615 0 . 1178 121 121 TYR H H 8.168 0 . 1179 121 121 TYR HA H 4.59 0 . 1180 121 121 TYR HB2 H 3.045 0 . 1181 121 121 TYR HB3 H 3.374 0 . 1182 121 121 TYR HD1 H 7.134 0 . 1183 121 121 TYR HE1 H 6.852 0 . 1184 121 121 TYR CA C 58.2 0 . 1185 121 121 TYR CB C 38.679 0 . 1186 121 121 TYR CD1 C 132.212 0 . 1187 121 121 TYR CE1 C 117.132 0 . 1188 121 121 TYR N N 122.018 0 . 1189 122 122 GLN H H 8.164 0 . 1190 122 122 GLN HA H 4.339 0 . 1191 122 122 GLN HB2 H 1.962 0 . 1192 122 122 GLN HB3 H 1.972 0 . 1193 122 122 GLN HG2 H 2.315 0 . 1194 122 122 GLN HE21 H 7.54 0 . 1195 122 122 GLN HE22 H 6.853 0 . 1196 122 122 GLN C C 175.369 0 . 1197 122 122 GLN CA C 55.727 0 . 1198 122 122 GLN CB C 28.484 0 . 1199 122 122 GLN CG C 33.745 0 . 1200 122 122 GLN N N 121.998 0 . 1201 122 122 GLN NE2 N 112.384 0 . 1202 123 123 GLU H H 8.323 0 . 1203 123 123 GLU HA H 4.323 0 . 1204 123 123 GLU HB2 H 1.993 0 . 1205 123 123 GLU HB3 H 2.125 0 . 1206 123 123 GLU HG2 H 2.439 0 . 1207 123 123 GLU HG3 H 2.314 0 . 1208 123 123 GLU C C 175.859 0 . 1209 123 123 GLU CA C 56.665 0 . 1210 123 123 GLU CB C 30.548 0 . 1211 123 123 GLU CG C 36.373 0 . 1212 123 123 GLU N N 122.561 0 . 1213 124 124 GLY H H 8.036 0 . 1214 124 124 GLY HA2 H 3.818 0 . 1215 124 124 GLY CA C 46.209 0 . 1216 124 124 GLY N N 116.281 0 . stop_ save_