data_11436 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Chemical Shift Assignments for E73A mutant of Ostrich egg white Lysozyme ; _BMRB_accession_number 11436 _BMRB_flat_file_name bmr11436.str _Entry_type original _Submission_date 2011-03-18 _Accession_date 2011-03-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shinya Shoko . . 2 Ohnuma Takayuki . . 3 Kawamura Shunsuke . . 4 Nishimura Shigenori . . 5 Fukamizo Tamo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 174 "13C chemical shifts" 339 "15N chemical shifts" 174 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-08 update BMRB 'update entry citation' 2011-09-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Interaction of a goose-type lysozyme with chitin oligosaccharides as determined by NMR spectroscopy' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21859795 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shinya Shoko . . 2 Ohnuma Takayuki . . 3 Kawamura Shunsuke . . 4 Torikata Takao . . 5 Nishimura Shigenori . . 6 Katoh Etsuko . . 7 Fukamizo Tamo . . stop_ _Journal_abbreviation 'J. Biochem.' _Journal_volume 150 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 569 _Page_last 577 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'E73A mutant of Ostrich egg white lysozyme' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E73A mutant ofOstrich egg white lysozyme' $E73A-OEL 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_E73A-OEL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common E73A-OEL _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 187 _Mol_residue_sequence ; SRTGCYGDVNRVDTTGASCK SAKPEKLNYCGVAASRKIAE RDLQSMDRYKALIKKVGQKL CVDPAVIAGIISRASHAGKA LRNGWGDNGNGFGLMQVDRR SHKPVGEWNGERHLMQGTEI LISMIKAIQKKFPRWTKEQQ LKGGISAYNAGPGNVRSYER MDIGTTHDDYANDVVARAQY YKQHGYX ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ARG 3 THR 4 GLY 5 CYS 6 TYR 7 GLY 8 ASP 9 VAL 10 ASN 11 ARG 12 VAL 13 ASP 14 THR 15 THR 16 GLY 17 ALA 18 SER 19 CYS 20 LYS 21 SER 22 ALA 23 LYS 24 PRO 25 GLU 26 LYS 27 LEU 28 ASN 29 TYR 30 CYS 31 GLY 32 VAL 33 ALA 34 ALA 35 SER 36 ARG 37 LYS 38 ILE 39 ALA 40 GLU 41 ARG 42 ASP 43 LEU 44 GLN 45 SER 46 MET 47 ASP 48 ARG 49 TYR 50 LYS 51 ALA 52 LEU 53 ILE 54 LYS 55 LYS 56 VAL 57 GLY 58 GLN 59 LYS 60 LEU 61 CYS 62 VAL 63 ASP 64 PRO 65 ALA 66 VAL 67 ILE 68 ALA 69 GLY 70 ILE 71 ILE 72 SER 73 ARG 74 ALA 75 SER 76 HIS 77 ALA 78 GLY 79 LYS 80 ALA 81 LEU 82 ARG 83 ASN 84 GLY 85 TRP 86 GLY 87 ASP 88 ASN 89 GLY 90 ASN 91 GLY 92 PHE 93 GLY 94 LEU 95 MET 96 GLN 97 VAL 98 ASP 99 ARG 100 ARG 101 SER 102 HIS 103 LYS 104 PRO 105 VAL 106 GLY 107 GLU 108 TRP 109 ASN 110 GLY 111 GLU 112 ARG 113 HIS 114 LEU 115 MET 116 GLN 117 GLY 118 THR 119 GLU 120 ILE 121 LEU 122 ILE 123 SER 124 MET 125 ILE 126 LYS 127 ALA 128 ILE 129 GLN 130 LYS 131 LYS 132 PHE 133 PRO 134 ARG 135 TRP 136 THR 137 LYS 138 GLU 139 GLN 140 GLN 141 LEU 142 LYS 143 GLY 144 GLY 145 ILE 146 SER 147 ALA 148 TYR 149 ASN 150 ALA 151 GLY 152 PRO 153 GLY 154 ASN 155 VAL 156 ARG 157 SER 158 TYR 159 GLU 160 ARG 161 MET 162 ASP 163 ILE 164 GLY 165 THR 166 THR 167 HIS 168 ASP 169 ASP 170 TYR 171 ALA 172 ASN 173 ASP 174 VAL 175 VAL 176 ALA 177 ARG 178 ALA 179 GLN 180 TYR 181 TYR 182 LYS 183 GLN 184 HIS 185 GLY 186 TYR 187 205 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 BMRB 11434 OEL 99.47 187 99.46 99.46 4.41e-134 PDB 3WYH "Structure Of Disulfide Bond Deletion Mutant Of Ostrich Egg White Lysozyme" 98.93 185 97.30 97.30 9.42e-130 DBJ BAL03620 "lysozyme g [Struthio camelus]" 99.47 204 99.46 99.46 2.57e-134 GB KFV76629 "Lysozyme g, partial [Struthio camelus australis]" 99.47 209 99.46 99.46 2.69e-134 REF XP_009664638 "PREDICTED: lysozyme g [Struthio camelus australis]" 99.47 204 99.46 99.46 2.57e-134 SP P00719 "RecName: Full=Lysozyme g; AltName: Full=1,4-beta-N-acetylmuramidase; AltName: Full=Goose-type lysozyme; Flags: Precursor" 99.47 204 99.46 99.46 2.57e-134 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_205 _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common '2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID' _BMRB_code . _PDB_code 205 _Standard_residue_derivative . _Molecular_mass 308.116 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed May 25 10:40:10 2011 ; save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $E73A-OEL Ostrich 8801 Eukaryota Metazoa Struthio Linnaeus 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 $E73A-OEL 'recombinant technology' . Pichia pastoris . pPIC9K 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 $E73A-OEL 0.4 mM '[U-99% 13C; U-99% 15N]' 'sodium acetate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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 pH 5.0 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HCACO' 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 'E73A mutant ofOstrich egg white lysozyme' _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 CA C 56.711 0 1 2 1 1 SER CB C 65.225 0 1 3 2 2 ARG H H 9.058 0.001 1 4 2 2 ARG CA C 56.669 0 1 5 2 2 ARG CB C 30.415 0 1 6 2 2 ARG N N 121.502 0.072 1 7 3 3 THR H H 8.154 0.002 1 8 3 3 THR CA C 62.386 0.02 1 9 3 3 THR CB C 69.723 0.032 1 10 3 3 THR N N 113.228 0.064 1 11 4 4 GLY H H 8.193 0.002 1 12 4 4 GLY CA C 45.91 0.013 1 13 4 4 GLY N N 108.837 0.085 1 14 5 5 CYS H H 8.412 0.002 1 15 5 5 CYS CA C 62.89 0.058 1 16 5 5 CYS CB C 34.688 0.068 1 17 5 5 CYS N N 117.039 0.069 1 18 6 6 TYR H H 8.574 0.001 1 19 6 6 TYR CA C 57.976 0.006 1 20 6 6 TYR CB C 39.941 0 1 21 6 6 TYR N N 117.277 0.01 1 22 7 7 GLY H H 7.907 0.002 1 23 7 7 GLY CA C 43.345 0.05 1 24 7 7 GLY N N 105.467 0.032 1 25 8 8 ASP H H 9.667 0.002 1 26 8 8 ASP CA C 51.905 0.069 1 27 8 8 ASP CB C 41.668 0.014 1 28 8 8 ASP N N 119.881 0.016 1 29 9 9 VAL H H 9.862 0.001 1 30 9 9 VAL CA C 64.328 0 1 31 9 9 VAL CB C 31.059 0.082 1 32 9 9 VAL N N 126.585 0.021 1 33 10 10 ASN H H 8.492 0.004 1 34 10 10 ASN CA C 54.671 0.007 1 35 10 10 ASN CB C 37.888 0.04 1 36 10 10 ASN N N 119.296 0.065 1 37 11 11 ARG H H 8.051 0.001 1 38 11 11 ARG CA C 54.92 0.084 1 39 11 11 ARG CB C 30.694 0.016 1 40 11 11 ARG N N 117.76 0.059 1 41 12 12 VAL H H 6.864 0.001 1 42 12 12 VAL CA C 61.851 0.022 1 43 12 12 VAL CB C 32.158 0.093 1 44 12 12 VAL N N 121.743 0.039 1 45 13 13 ASP H H 8.278 0.001 1 46 13 13 ASP CA C 53.464 0.08 1 47 13 13 ASP CB C 41.343 0.015 1 48 13 13 ASP N N 125.319 0.03 1 49 14 14 THR H H 8.463 0.003 1 50 14 14 THR CA C 58.721 0.038 1 51 14 14 THR CB C 68.888 0.064 1 52 14 14 THR N N 115.894 0.054 1 53 15 15 THR H H 8.23 0.001 1 54 15 15 THR CA C 61.297 0.071 1 55 15 15 THR CB C 68.686 0.032 1 56 15 15 THR N N 116.361 0.081 1 57 16 16 GLY H H 9.178 0.002 1 58 16 16 GLY CA C 44.602 0.078 1 59 16 16 GLY N N 110.271 0.035 1 60 17 17 ALA H H 6.821 0.001 1 61 17 17 ALA CA C 51.731 0 1 62 17 17 ALA CB C 18.288 0 1 63 17 17 ALA N N 123.348 0.046 1 64 18 18 SER H H 11.206 0 1 65 18 18 SER CA C 57.213 0 1 66 18 18 SER CB C 54.860 0 1 67 18 18 SER N N 121.624 0 1 68 19 19 CYS H H 9.855 0.001 1 69 19 19 CYS CA C 55.991 0 1 70 19 19 CYS CB C 36.897 0 1 71 19 19 CYS N N 120.541 0.04 1 72 20 20 LYS H H 7.996 0.002 1 73 20 20 LYS CA C 59.328 0.042 1 74 20 20 LYS CB C 32.132 0.025 1 75 20 20 LYS N N 118.818 0.05 1 76 21 21 SER H H 7.232 0.002 1 77 21 21 SER CA C 59.887 0.053 1 78 21 21 SER CB C 62.845 0.05 1 79 21 21 SER N N 112.44 0.084 1 80 22 22 ALA H H 7.625 0.001 1 81 22 22 ALA CA C 54.764 0.004 1 82 22 22 ALA CB C 20.727 0.02 1 83 22 22 ALA N N 123.964 0.031 1 84 23 23 LYS H H 8.198 0.001 1 85 23 23 LYS CA C 61.486 0 1 86 23 23 LYS CB C 29.849 0 1 87 23 23 LYS N N 118.865 0.043 1 88 24 24 PRO CA C 65.546 0.021 1 89 24 24 PRO CB C 30.963 0 1 90 25 25 GLU H H 6.858 0.001 1 91 25 25 GLU CA C 54.32 0.042 1 92 25 25 GLU CB C 27.245 0.025 1 93 25 25 GLU N N 114.31 0.031 1 94 26 26 LYS H H 8.188 0.002 1 95 26 26 LYS CA C 56.973 0.048 1 96 26 26 LYS CB C 27.991 0.093 1 97 26 26 LYS N N 112.589 0.041 1 98 27 27 LEU H H 6.907 0.001 1 99 27 27 LEU CA C 52.992 0.05 1 100 27 27 LEU CB C 43.894 0.079 1 101 27 27 LEU N N 117.292 0.017 1 102 28 28 ASN H H 8.462 0.002 1 103 28 28 ASN CA C 52.064 0.004 1 104 28 28 ASN CB C 37.768 0.012 1 105 28 28 ASN N N 119.418 0.056 1 106 29 29 TYR H H 6.62 0.001 1 107 29 29 TYR CA C 53.994 0.052 1 108 29 29 TYR CB C 38.952 0.003 1 109 29 29 TYR N N 114.631 0.057 1 110 30 30 CYS H H 8.639 0.001 1 111 30 30 CYS CA C 52 0.061 1 112 30 30 CYS CB C 43.591 0 1 113 30 30 CYS N N 115.551 0.005 1 114 31 31 GLY H H 8.738 0.001 1 115 31 31 GLY CA C 46.032 0.062 1 116 31 31 GLY N N 109.604 0.051 1 117 32 32 VAL H H 8.868 0.001 1 118 32 32 VAL CA C 67.539 0.015 1 119 32 32 VAL CB C 31.473 0.046 1 120 32 32 VAL N N 125.371 0.029 1 121 33 33 ALA H H 8.97 0.001 1 122 33 33 ALA CA C 55.484 0.05 1 123 33 33 ALA CB C 18.449 0.093 1 124 33 33 ALA N N 119.986 0.031 1 125 34 34 ALA H H 6.832 0.001 1 126 34 34 ALA CA C 54.872 0.022 1 127 34 34 ALA CB C 18.273 0.079 1 128 34 34 ALA N N 118.915 0.05 1 129 35 35 SER H H 8.22 0.001 1 130 35 35 SER CA C 64.32 0.046 1 131 35 35 SER N N 115.485 0.057 1 132 36 36 ARG H H 8.329 0.001 1 133 36 36 ARG CA C 60.118 0.089 1 134 36 36 ARG CB C 30.939 0.021 1 135 36 36 ARG N N 117.905 0.011 1 136 37 37 LYS H H 7.637 0.002 1 137 37 37 LYS CA C 56.945 0.009 1 138 37 37 LYS CB C 30.085 0.038 1 139 37 37 LYS N N 121.019 0.05 1 140 38 38 ILE H H 8.356 0.002 1 141 38 38 ILE CA C 65.544 0.097 1 142 38 38 ILE CB C 38.055 0.038 1 143 38 38 ILE N N 119.517 0.031 1 144 39 39 ALA H H 7.977 0.002 1 145 39 39 ALA CA C 54.105 0.098 1 146 39 39 ALA CB C 18.25 0.006 1 147 39 39 ALA N N 120.799 0.064 1 148 40 40 GLU H H 7.749 0.001 1 149 40 40 GLU CA C 59.245 0.106 1 150 40 40 GLU CB C 29.465 0.056 1 151 40 40 GLU N N 122.085 0.068 1 152 41 41 ARG H H 8.011 0.002 1 153 41 41 ARG CA C 59.169 0.028 1 154 41 41 ARG CB C 30.143 0.039 1 155 41 41 ARG N N 120.605 0.044 1 156 42 42 ASP H H 7.471 0.002 1 157 42 42 ASP CA C 54.402 0.05 1 158 42 42 ASP CB C 41.22 0.037 1 159 42 42 ASP N N 116.981 0.019 1 160 43 43 LEU H H 7.732 0.002 1 161 43 43 LEU CA C 59.749 0.04 1 162 43 43 LEU CB C 42.914 0.007 1 163 43 43 LEU N N 124.209 0.085 1 164 44 44 GLN H H 8.624 0.001 1 165 44 44 GLN CA C 59.845 0.087 1 166 44 44 GLN CB C 27.97 0.005 1 167 44 44 GLN N N 116.763 0.04 1 168 45 45 SER H H 8.157 0.003 1 169 45 45 SER CA C 62.127 0.036 1 170 45 45 SER CB C 63.805 0.002 1 171 45 45 SER N N 115.384 0.044 1 172 46 46 MET H H 8.62 0 1 173 46 46 MET CA C 57.022 0.021 1 174 46 46 MET CB C 30.065 0 1 175 46 46 MET N N 123.531 0.031 1 176 47 47 ASP H H 8.506 0.003 1 177 47 47 ASP CA C 56.682 0.039 1 178 47 47 ASP CB C 40.26 0.05 1 179 47 47 ASP N N 115.799 0.028 1 180 48 48 ARG H H 7.317 0.002 1 181 48 48 ARG CA C 58.403 0.066 1 182 48 48 ARG CB C 29.411 0.018 1 183 48 48 ARG N N 119.566 0.054 1 184 49 49 TYR H H 8.032 0.005 1 185 49 49 TYR CA C 56.339 0.032 1 186 49 49 TYR CB C 38.553 0.035 1 187 49 49 TYR N N 115.97 0.034 1 188 50 50 LYS H H 7.366 0.001 1 189 50 50 LYS CA C 61.407 0.064 1 190 50 50 LYS CB C 32.453 0.044 1 191 50 50 LYS N N 123.127 0.05 1 192 51 51 ALA H H 8.512 0.003 1 193 51 51 ALA CA C 55.624 0.079 1 194 51 51 ALA CB C 17.617 0.051 1 195 51 51 ALA N N 118.949 0.089 1 196 52 52 LEU H H 7.593 0 1 197 52 52 LEU CA C 57.526 0.011 1 198 52 52 LEU CB C 42.625 0.036 1 199 52 52 LEU N N 119.847 0.051 1 200 53 53 ILE H H 8.659 0.005 1 201 53 53 ILE CA C 66.554 0.015 1 202 53 53 ILE CB C 38.507 0.055 1 203 53 53 ILE N N 120.243 0.066 1 204 54 54 LYS H H 8.491 0.001 1 205 54 54 LYS CA C 60.479 0.068 1 206 54 54 LYS CB C 32.406 0 1 207 54 54 LYS N N 116.99 0.066 1 208 55 55 LYS H H 7.863 0.002 1 209 55 55 LYS CA C 59.86 0.002 1 210 55 55 LYS CB C 33.017 0.003 1 211 55 55 LYS N N 121.445 0.055 1 212 56 56 VAL H H 8.427 0.002 1 213 56 56 VAL CA C 67.091 0.02 1 214 56 56 VAL CB C 31.497 0.304 1 215 56 56 VAL N N 120.597 0.038 1 216 57 57 GLY H H 8.53 0.002 1 217 57 57 GLY CA C 48.824 0.067 1 218 57 57 GLY N N 106.369 0.067 1 219 58 58 GLN H H 8.304 0.001 1 220 58 58 GLN CA C 59.205 0.043 1 221 58 58 GLN CB C 28.091 0.008 1 222 58 58 GLN N N 119.822 0.01 1 223 59 59 LYS H H 8.1 0.005 1 224 59 59 LYS CA C 58.985 0.008 1 225 59 59 LYS CB C 32.249 0.022 1 226 59 59 LYS N N 120.057 0.027 1 227 60 60 LEU H H 7.825 0.001 1 228 60 60 LEU CA C 54.029 0.047 1 229 60 60 LEU CB C 41.745 0.068 1 230 60 60 LEU N N 115.342 0.058 1 231 61 61 CYS H H 8.048 0.001 1 232 61 61 CYS CA C 54.36 0.026 1 233 61 61 CYS CB C 42.266 0.066 1 234 61 61 CYS N N 122.853 0.033 1 235 62 62 VAL H H 8.883 0.001 1 236 62 62 VAL CA C 60.565 0.041 1 237 62 62 VAL CB C 35.881 0.004 1 238 62 62 VAL N N 119.071 0.043 1 239 63 63 ASP H H 8.081 0.001 1 240 63 63 ASP CA C 52.329 0 1 241 63 63 ASP CB C 43.042 0 1 242 63 63 ASP N N 127.28 0.037 1 243 64 64 PRO CA C 65.022 0 1 244 64 64 PRO CB C 32.686 0 1 245 65 65 ALA H H 8.943 0.002 1 246 65 65 ALA CA C 55.332 0.017 1 247 65 65 ALA CB C 18.709 0.064 1 248 65 65 ALA N N 117.687 0.047 1 249 66 66 VAL H H 7.726 0.002 1 250 66 66 VAL CA C 66.748 0.045 1 251 66 66 VAL CB C 30.521 0.008 1 252 66 66 VAL N N 116.561 0.064 1 253 67 67 ILE H H 6.72 0.002 1 254 67 67 ILE CA C 66.207 0.085 1 255 67 67 ILE CB C 37.206 0.044 1 256 67 67 ILE N N 118.915 0.038 1 257 68 68 ALA H H 8.107 0.002 1 258 68 68 ALA CA C 55.326 0.028 1 259 68 68 ALA CB C 17.858 0.052 1 260 68 68 ALA N N 119.998 0.087 1 261 69 69 GLY H H 8.358 0.002 1 262 69 69 GLY CA C 48.419 0.053 1 263 69 69 GLY N N 106.062 0.036 1 264 70 70 ILE H H 8.03 0.003 1 265 70 70 ILE CA C 65.518 0.088 1 266 70 70 ILE CB C 37.379 0.058 1 267 70 70 ILE N N 121.005 0.046 1 268 71 71 ILE H H 8.405 0.001 1 269 71 71 ILE CA C 65.378 0.047 1 270 71 71 ILE CB C 37.381 0.038 1 271 71 71 ILE N N 119.633 0.053 1 272 72 72 SER H H 8.581 0.001 1 273 72 72 SER CA C 61.483 0.008 1 274 72 72 SER CB C 63.85 0 1 275 72 72 SER N N 115.127 0.066 1 276 73 73 ARG H H 7.545 0.005 1 277 73 73 ARG CA C 57.574 0 1 278 73 73 ARG CB C 32.484 0.023 1 279 73 73 ARG N N 118.612 0.046 1 280 74 74 ALA H H 7.596 0.003 1 281 74 74 ALA CA C 54.531 0 1 282 74 74 ALA CB C 19.079 0 1 283 74 74 ALA N N 115.978 0.026 1 284 75 75 SER H H 8.246 0.001 1 285 75 75 SER CA C 57.738 0.031 1 286 75 75 SER CB C 67.375 0.049 1 287 75 75 SER N N 104.919 0.073 1 288 76 76 HIS H H 8.356 0.002 1 289 76 76 HIS CA C 57.694 0.078 1 290 76 76 HIS CB C 27.165 0.021 1 291 76 76 HIS N N 122.158 0.055 1 292 77 77 ALA H H 7.549 0.001 1 293 77 77 ALA CA C 53.043 0.067 1 294 77 77 ALA CB C 16.539 0.029 1 295 77 77 ALA N N 114.336 0.023 1 296 78 78 GLY H H 7.529 0.001 1 297 78 78 GLY CA C 45.529 0.049 1 298 78 78 GLY N N 103.003 0.01 1 299 79 79 LYS H H 7.654 0.002 1 300 79 79 LYS CA C 59.065 0.043 1 301 79 79 LYS CB C 32.164 0.025 1 302 79 79 LYS N N 121.137 0.056 1 303 80 80 ALA H H 7.595 0.005 1 304 80 80 ALA CA C 51.711 0.048 1 305 80 80 ALA CB C 19.759 0.003 1 306 80 80 ALA N N 116.188 0.038 1 307 81 81 LEU H H 6.94 0.002 1 308 81 81 LEU CA C 53.418 0.028 1 309 81 81 LEU CB C 42.765 0.033 1 310 81 81 LEU N N 115.123 0.04 1 311 82 82 ARG H H 8.694 0.002 1 312 82 82 ARG CA C 54.803 0.011 1 313 82 82 ARG CB C 30.62 0.016 1 314 82 82 ARG N N 120.159 0.075 1 315 83 83 ASN H H 9.305 0.005 1 316 83 83 ASN CA C 53.804 0.119 1 317 83 83 ASN CB C 37.628 0.005 1 318 83 83 ASN N N 126.559 0.052 1 319 84 84 GLY H H 7.322 0.001 1 320 84 84 GLY CA C 45 0.002 1 321 84 84 GLY N N 100.357 0.01 1 322 85 85 TRP H H 7.559 0.001 1 323 85 85 TRP CA C 56.227 0.028 1 324 85 85 TRP CB C 32.121 0.037 1 325 85 85 TRP N N 119.298 0.035 1 326 86 86 GLY H H 9.589 0.001 1 327 86 86 GLY CA C 44.256 0.05 1 328 86 86 GLY N N 110.737 0.013 1 329 87 87 ASP H H 8.864 0.001 1 330 87 87 ASP CA C 55.818 0.007 1 331 87 87 ASP CB C 39.916 0.007 1 332 87 87 ASP N N 120.956 0.031 1 333 88 88 ASN H H 8.743 0.003 1 334 88 88 ASN CA C 53.677 0.05 1 335 88 88 ASN CB C 37.551 0.007 1 336 88 88 ASN N N 114.942 0.049 1 337 89 89 GLY H H 7.929 0.003 1 338 89 89 GLY CA C 45.726 0.002 1 339 89 89 GLY N N 105.175 0.061 1 340 90 90 ASN H H 8.063 0.001 1 341 90 90 ASN CA C 54.418 0.004 1 342 90 90 ASN CB C 40.162 0 1 343 90 90 ASN N N 115.8 0.053 1 344 91 91 GLY H H 8.585 0 1 345 91 91 GLY CA C 44.466 0.016 1 346 91 91 GLY N N 107.024 0.057 1 347 92 92 PHE H H 9.438 0 1 348 92 92 PHE CA C 56.742 0.013 1 349 92 92 PHE CB C 41.921 0.025 1 350 92 92 PHE N N 126.729 0.038 1 351 93 93 GLY H H 8.102 0.001 1 352 93 93 GLY CA C 43.848 0.034 1 353 93 93 GLY N N 111.457 0.069 1 354 94 94 LEU H H 7.128 0.001 1 355 94 94 LEU CA C 57.606 0 1 356 94 94 LEU CB C 43.023 0 1 357 94 94 LEU N N 120.772 0.067 1 358 95 95 MET H H 12.225 0 1 359 95 95 MET CA C 56.893 0 1 360 95 95 MET CB C 33.155 0 1 361 95 95 MET N N 116.943 0 1 362 96 96 GLN H H 7.848 0.003 1 363 96 96 GLN CA C 55.538 0.066 1 364 96 96 GLN CB C 27.173 0.058 1 365 96 96 GLN N N 115.936 0.075 1 366 97 97 VAL H H 8.482 0.003 1 367 97 97 VAL CA C 63.418 0.026 1 368 97 97 VAL CB C 32.875 0.046 1 369 97 97 VAL N N 122.616 0.092 1 370 98 98 ASP H H 8.92 0.002 1 371 98 98 ASP CA C 54.008 0.024 1 372 98 98 ASP CB C 42.202 0.04 1 373 98 98 ASP N N 129.945 0.007 1 374 99 99 ARG H H 9.257 0.002 1 375 99 99 ARG CA C 56.537 0.023 1 376 99 99 ARG CB C 29.411 0.024 1 377 99 99 ARG N N 127.343 0.06 1 378 100 100 ARG H H 9.101 0.002 1 379 100 100 ARG CA C 57.759 0.075 1 380 100 100 ARG CB C 29.326 0.027 1 381 100 100 ARG N N 120.649 0.082 1 382 101 101 SER H H 7.569 0.002 1 383 101 101 SER CA C 58.368 0.052 1 384 101 101 SER CB C 65.16 0.061 1 385 101 101 SER N N 111.218 0.044 1 386 102 102 HIS H H 8.069 0.003 1 387 102 102 HIS CA C 54.421 0.044 1 388 102 102 HIS CB C 32.513 0.008 1 389 102 102 HIS N N 119.319 0.05 1 390 103 103 LYS H H 8.494 0.002 1 391 103 103 LYS CA C 53.604 0 1 392 103 103 LYS CB C 32.639 0 1 393 103 103 LYS N N 122.913 0.069 1 394 104 104 PRO CA C 63.061 0.002 1 395 104 104 PRO CB C 32.166 0 1 396 105 105 VAL H H 7.894 0.001 1 397 105 105 VAL CA C 59.925 0.034 1 398 105 105 VAL CB C 34.729 0.068 1 399 105 105 VAL N N 117.845 0.022 1 400 106 106 GLY H H 8.146 0 1 401 106 106 GLY CA C 44.2 0.095 1 402 106 106 GLY N N 106.03 0.009 1 403 107 107 GLU H H 8.198 0 1 404 107 107 GLU CA C 56.412 0.023 1 405 107 107 GLU CB C 30.071 0.049 1 406 107 107 GLU N N 115.209 0.012 1 407 108 108 TRP H H 8.558 0.001 1 408 108 108 TRP CA C 58.7 0.086 1 409 108 108 TRP CB C 28.801 0.037 1 410 108 108 TRP N N 119.905 0.061 1 411 109 109 ASN H H 6.557 0.003 1 412 109 109 ASN CA C 49.567 0.064 1 413 109 109 ASN CB C 34.906 0.007 1 414 109 109 ASN N N 114.242 0.052 1 415 110 110 GLY H H 6.873 0.001 1 416 110 110 GLY CA C 44.068 0.002 1 417 110 110 GLY N N 102.151 0.013 1 418 111 111 GLU H H 8.695 0.002 1 419 111 111 GLU CA C 60.297 0.011 1 420 111 111 GLU CB C 30.475 0.016 1 421 111 111 GLU N N 119.121 0.07 1 422 112 112 ARG H H 8.654 0.003 1 423 112 112 ARG CA C 59.781 0.074 1 424 112 112 ARG CB C 29.629 0.037 1 425 112 112 ARG N N 117.631 0.048 1 426 113 113 HIS H H 8.606 0.001 1 427 113 113 HIS CA C 59.384 0 1 428 113 113 HIS CB C 28.311 0 1 429 113 113 HIS N N 119.894 0.065 1 430 114 114 LEU H H 7.646 0.001 1 431 114 114 LEU CA C 57.029 0.063 1 432 114 114 LEU CB C 42.469 0.003 1 433 114 114 LEU N N 117.694 0.057 1 434 115 115 MET H H 8.807 0.003 1 435 115 115 MET CA C 57.875 0.099 1 436 115 115 MET CB C 30.564 0.038 1 437 115 115 MET N N 119.949 0.058 1 438 116 116 GLN H H 7.67 0.004 1 439 116 116 GLN CA C 59.692 0.079 1 440 116 116 GLN CB C 27.792 0.099 1 441 116 116 GLN N N 120.247 0.046 1 442 117 117 GLY H H 8.795 0.001 1 443 117 117 GLY CA C 47.578 0.099 1 444 117 117 GLY N N 104.354 0.031 1 445 118 118 THR H H 8.009 0.001 1 446 118 118 THR CA C 67.966 0.024 1 447 118 118 THR CB C 66.419 0.06 1 448 118 118 THR N N 118.908 0.071 1 449 119 119 GLU H H 8.759 0.003 1 450 119 119 GLU CA C 60.411 0.009 1 451 119 119 GLU CB C 29.039 0.008 1 452 119 119 GLU N N 123.705 0.03 1 453 120 120 ILE H H 8.183 0.003 1 454 120 120 ILE CA C 65.748 0.026 1 455 120 120 ILE CB C 37.486 0.008 1 456 120 120 ILE N N 122.33 0.019 1 457 121 121 LEU H H 8.065 0.003 1 458 121 121 LEU CA C 59.189 0.018 1 459 121 121 LEU CB C 40.012 0.008 1 460 121 121 LEU N N 122.422 0.026 1 461 122 122 ILE H H 8.603 0.004 1 462 122 122 ILE CA C 66.502 0.03 1 463 122 122 ILE CB C 37.475 0.014 1 464 122 122 ILE N N 119.694 0.026 1 465 123 123 SER H H 8.235 0.002 1 466 123 123 SER CA C 62.628 0.036 1 467 123 123 SER N N 116.165 0.057 1 468 124 124 MET H H 8.147 0.001 1 469 124 124 MET CA C 57.349 0.013 1 470 124 124 MET CB C 33.821 0.028 1 471 124 124 MET N N 122.486 0.073 1 472 125 125 ILE H H 8.609 0.001 1 473 125 125 ILE CA C 66.688 0.096 1 474 125 125 ILE CB C 38.061 0.013 1 475 125 125 ILE N N 121.306 0.028 1 476 126 126 LYS H H 8.887 0.002 1 477 126 126 LYS CA C 60.011 0.052 1 478 126 126 LYS CB C 31.978 0.024 1 479 126 126 LYS N N 118.222 0.053 1 480 127 127 ALA H H 7.918 0.001 1 481 127 127 ALA CA C 55.058 0.055 1 482 127 127 ALA CB C 17.615 0.082 1 483 127 127 ALA N N 122.057 0.057 1 484 128 128 ILE H H 8.093 0.002 1 485 128 128 ILE CA C 61.42 0.053 1 486 128 128 ILE CB C 34.222 0.028 1 487 128 128 ILE N N 121.757 0.04 1 488 129 129 GLN H H 8.934 0.001 1 489 129 129 GLN CA C 58.983 0.022 1 490 129 129 GLN CB C 27.79 0.058 1 491 129 129 GLN N N 121.152 0.056 1 492 130 130 LYS H H 7.363 0.001 1 493 130 130 LYS CA C 57.903 0.012 1 494 130 130 LYS CB C 32.438 0.059 1 495 130 130 LYS N N 115.286 0.055 1 496 131 131 LYS H H 7.446 0 1 497 131 131 LYS CA C 58.507 0.057 1 498 131 131 LYS CB C 34.364 0.055 1 499 131 131 LYS N N 119.834 0.025 1 500 132 132 PHE H H 8.004 0.002 1 501 132 132 PHE CA C 54.762 0 1 502 132 132 PHE CB C 37.827 0 1 503 132 132 PHE N N 115.376 0.078 1 504 133 133 PRO CA C 64.394 0 1 505 133 133 PRO CB C 32.253 0 1 506 134 134 ARG H H 8.512 0.002 1 507 134 134 ARG CA C 55.787 0.089 1 508 134 134 ARG CB C 29.497 0.063 1 509 134 134 ARG N N 115.535 0.062 1 510 135 135 TRP H H 7.412 0.003 1 511 135 135 TRP CA C 55.754 0.028 1 512 135 135 TRP CB C 31.179 0.044 1 513 135 135 TRP N N 121.847 0.065 1 514 136 136 THR H H 8.734 0.002 1 515 136 136 THR CA C 61.106 0.054 1 516 136 136 THR CB C 71.381 0 1 517 136 136 THR N N 110.105 0.018 1 518 137 137 LYS H H 8.965 0.003 1 519 137 137 LYS CA C 59.639 0.072 1 520 137 137 LYS CB C 31.595 0.016 1 521 137 137 LYS N N 120.312 0.055 1 522 138 138 GLU H H 8.001 0.003 1 523 138 138 GLU CA C 62.05 0.065 1 524 138 138 GLU CB C 29.208 0.025 1 525 138 138 GLU N N 118.031 0.087 1 526 139 139 GLN H H 7.574 0.001 1 527 139 139 GLN CA C 59.12 0.012 1 528 139 139 GLN CB C 29.724 0.058 1 529 139 139 GLN N N 118.59 0.031 1 530 140 140 GLN H H 8.561 0.003 1 531 140 140 GLN CA C 58.527 0.061 1 532 140 140 GLN CB C 27.422 0.008 1 533 140 140 GLN N N 117.016 0.036 1 534 141 141 LEU H H 8.514 0.002 1 535 141 141 LEU CA C 58.442 0.085 1 536 141 141 LEU CB C 39.576 0.039 1 537 141 141 LEU N N 122.281 0.036 1 538 142 142 LYS H H 7.792 0.001 1 539 142 142 LYS CA C 61.392 0.039 1 540 142 142 LYS CB C 33.07 0.062 1 541 142 142 LYS N N 118.662 0.014 1 542 143 143 GLY H H 8.798 0.001 1 543 143 143 GLY CA C 47.583 0.035 1 544 143 143 GLY N N 102.781 0.024 1 545 144 144 GLY H H 9.267 0.002 1 546 144 144 GLY CA C 47.08 0.043 1 547 144 144 GLY N N 111.633 0.011 1 548 145 145 ILE H H 8.114 0.002 1 549 145 145 ILE CA C 66.075 0.039 1 550 145 145 ILE CB C 37.614 0.026 1 551 145 145 ILE N N 121.077 0.052 1 552 146 146 SER H H 8.21 0.002 1 553 146 146 SER CA C 60.944 0 1 554 146 146 SER CB C 68.361 0 1 555 146 146 SER N N 114.934 0.053 1 556 147 147 ALA H H 8.107 0.003 1 557 147 147 ALA CA C 53.141 0.051 1 558 147 147 ALA CB C 18.756 0.06 1 559 147 147 ALA N N 120.056 0.006 1 560 148 148 TYR H H 8.191 0.001 1 561 148 148 TYR CA C 62.322 0.045 1 562 148 148 TYR CB C 38.675 0.079 1 563 148 148 TYR N N 121.955 0.066 1 564 149 149 ASN H H 6.914 0.002 1 565 149 149 ASN CA C 55.924 0.006 1 566 149 149 ASN CB C 41.43 0.062 1 567 149 149 ASN N N 113.123 0.052 1 568 150 150 ALA H H 7.436 0.002 1 569 150 150 ALA CA C 52.49 0.056 1 570 150 150 ALA CB C 22.184 0.096 1 571 150 150 ALA N N 118.254 0.024 1 572 151 151 GLY H H 8.806 0.001 1 573 151 151 GLY CA C 43.609 0 1 574 151 151 GLY N N 110.341 0.004 1 575 152 152 PRO CA C 65.308 0 1 576 152 152 PRO CB C 30.897 0 1 577 153 153 GLY H H 8.641 0.002 1 578 153 153 GLY CA C 46.187 0.04 1 579 153 153 GLY N N 106.075 0.078 1 580 154 154 ASN H H 7.446 0.001 1 581 154 154 ASN N N 116.59 0.05 1 582 155 155 VAL CA C 63.398 0 1 583 155 155 VAL CB C 30.233 0 1 584 156 156 ARG H H 8.578 0.003 1 585 156 156 ARG CA C 56.532 0.027 1 586 156 156 ARG CB C 31.749 0.02 1 587 156 156 ARG N N 126.187 0.038 1 588 157 157 SER H H 7.905 0.001 1 589 157 157 SER CA C 57.166 0 1 590 157 157 SER CB C 65.13 0 1 591 157 157 SER N N 112.076 0.02 1 592 162 162 ASP CA C 53.871 0.015 1 593 162 162 ASP CB C 41.366 0 1 594 163 163 ILE H H 7.876 0.001 1 595 163 163 ILE CA C 62.38 0.015 1 596 163 163 ILE CB C 34.443 0.025 1 597 163 163 ILE N N 125.625 0.017 1 598 164 164 GLY H H 9.568 0.002 1 599 164 164 GLY CA C 45.427 0.072 1 600 164 164 GLY N N 118.894 0.033 1 601 165 165 THR H H 8.012 0.002 1 602 165 165 THR CA C 61.468 0.026 1 603 165 165 THR CB C 71.438 0.072 1 604 165 165 THR N N 111.312 0.009 1 605 166 166 THR H H 8.646 0.001 1 606 166 166 THR CA C 65.456 0 1 607 166 166 THR CB C 69.025 0 1 608 166 166 THR N N 121.118 0.046 1 609 167 167 HIS H H 8.928 0.004 1 610 167 167 HIS CA C 55.437 0.002 1 611 167 167 HIS CB C 26.501 0.016 1 612 167 167 HIS N N 117.504 0.035 1 613 168 168 ASP H H 8.948 0.002 1 614 168 168 ASP CA C 55.453 0.056 1 615 168 168 ASP CB C 39.699 0.008 1 616 168 168 ASP N N 115.227 0 1 617 169 169 ASP H H 7.507 0.002 1 618 169 169 ASP CA C 54.37 0.035 1 619 169 169 ASP CB C 41.861 0.025 1 620 169 169 ASP N N 117.262 0.056 1 621 170 170 TYR H H 8.023 0.002 1 622 170 170 TYR CA C 65.281 0.01 1 623 170 170 TYR CB C 40.616 0.027 1 624 170 170 TYR N N 119.882 0.052 1 625 171 171 ALA H H 10.627 0.002 1 626 171 171 ALA CA C 55.631 0.096 1 627 171 171 ALA CB C 20.258 0.033 1 628 171 171 ALA N N 121.588 0.029 1 629 172 172 ASN H H 10.465 0.001 1 630 172 172 ASN CA C 59.101 0.039 1 631 172 172 ASN CB C 39.863 0.053 1 632 172 172 ASN N N 119.926 0.038 1 633 173 173 ASP H H 8.929 0.002 1 634 173 173 ASP CA C 57.296 0.054 1 635 173 173 ASP CB C 40.078 0.007 1 636 173 173 ASP N N 121.883 0.038 1 637 174 174 VAL H H 8.648 0.002 1 638 174 174 VAL CA C 68.827 0.051 1 639 174 174 VAL CB C 30.526 0.013 1 640 174 174 VAL N N 118.934 0.037 1 641 175 175 VAL H H 9.18 0.001 1 642 175 175 VAL CA C 67.465 0.01 1 643 175 175 VAL CB C 31.376 0.025 1 644 175 175 VAL N N 117.391 0.05 1 645 176 176 ALA H H 7.451 0.003 1 646 176 176 ALA CA C 55.275 0.013 1 647 176 176 ALA CB C 18.484 0.067 1 648 176 176 ALA N N 121.259 0.054 1 649 177 177 ARG H H 8.668 0.007 1 650 177 177 ARG CA C 60.187 0.033 1 651 177 177 ARG CB C 29.948 0.039 1 652 177 177 ARG N N 117.803 0.055 1 653 178 178 ALA H H 9.372 0.001 1 654 178 178 ALA CA C 54.963 0.032 1 655 178 178 ALA CB C 20.251 0.081 1 656 178 178 ALA N N 121.652 0.038 1 657 179 179 GLN H H 8.464 0.003 1 658 179 179 GLN CA C 59.479 0.075 1 659 179 179 GLN CB C 27.168 0 1 660 179 179 GLN N N 116.712 0.088 1 661 180 180 TYR H H 7.354 0.002 1 662 180 180 TYR CA C 62.703 0.034 1 663 180 180 TYR CB C 37.182 0.026 1 664 180 180 TYR N N 119.849 0.028 1 665 181 181 TYR H H 8.485 0.002 1 666 181 181 TYR CA C 63.52 0.042 1 667 181 181 TYR CB C 35.183 0.03 1 668 181 181 TYR N N 121.733 0.066 1 669 182 182 LYS H H 8.822 0.003 1 670 182 182 LYS CA C 58.095 0.065 1 671 182 182 LYS CB C 31.495 0.031 1 672 182 182 LYS N N 123.511 0.055 1 673 183 183 GLN H H 7.339 0.001 1 674 183 183 GLN CA C 55.954 0.064 1 675 183 183 GLN CB C 28.696 0.025 1 676 183 183 GLN N N 115.78 0.052 1 677 184 184 HIS H H 7.856 0.002 1 678 184 184 HIS CA C 55.818 0.066 1 679 184 184 HIS CB C 28.621 0 1 680 184 184 HIS N N 117.315 0.049 1 681 185 185 GLY H H 7.936 0.003 1 682 185 185 GLY CA C 46.518 0.024 1 683 185 185 GLY N N 105.09 0.048 1 684 186 186 TYR H H 7.775 0.002 1 685 186 186 TYR CA C 61.779 0 1 686 186 186 TYR CB C 39.026 0 1 687 186 186 TYR N N 124.891 0.056 1 stop_ save_