data_11434 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Chemical Shift Assignments for Ostrich egg white Lysozyme ; _BMRB_accession_number 11434 _BMRB_flat_file_name bmr11434.str _Entry_type original _Submission_date 2011-03-14 _Accession_date 2011-03-14 _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 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" 173 "13C chemical shifts" 484 "15N chemical shifts" 173 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-08 original author . stop_ _Original_release_date 2012-02-08 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 'Ostrich egg white lysozyme' _Enzyme_commission_number 3.2.1.14 loop_ _Mol_system_component_name _Mol_label 'Ostrich egg white lysozyme' $OEL stop_ _System_molecular_weight 20650 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_OEL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common OEL _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 187 _Mol_residue_sequence ; SRTGCYGDVNRVDTTGASCK SAKPEKLNYCGVAASRKIAE RDLQSMDRYKALIKKVGQKL CVDPAVIAGIISRESHAGKA 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 GLU 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 11436 E73A-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 97.84 97.84 1.42e-130 DBJ BAL03620 "lysozyme g [Struthio camelus]" 99.47 204 100.00 100.00 2.73e-135 GB KFV76629 "Lysozyme g, partial [Struthio camelus australis]" 99.47 209 100.00 100.00 3.67e-135 REF XP_009664638 "PREDICTED: lysozyme g [Struthio camelus australis]" 99.47 204 100.00 100.00 2.73e-135 SP P00719 "RecName: Full=Lysozyme g; AltName: Full=1,4-beta-N-acetylmuramidase; AltName: Full=Goose-type lysozyme; Flags: Precursor" 99.47 204 100.00 100.00 2.73e-135 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 $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 $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 $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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCA' '3D HN(CO)CA' 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 'Ostrich 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 56.916 1 1 2 1 1 SER CB C 65.147 1 1 3 2 2 ARG H H 9.070 1 1 4 2 2 ARG N N 121.402 0.005 1 5 3 3 THR H H 8.174 1 1 6 3 3 THR C C 172.528 0.000 1 7 3 3 THR CA C 62.533 1 1 8 3 3 THR CB C 69.814 1 1 9 3 3 THR N N 113.583 0.064 1 10 4 4 GLY H H 8.210 1 1 11 4 4 GLY C C 173.214 0.000 1 12 4 4 GLY CA C 45.889 1 1 13 4 4 GLY N N 108.937 0.056 1 14 5 5 CYS H H 8.433 1 1 15 5 5 CYS C C 172.442 0.000 1 16 5 5 CYS CA C 62.768 1 1 17 5 5 CYS CB C 34.704 1 1 18 5 5 CYS N N 117.152 0.040 1 19 6 6 TYR H H 8.606 1 1 20 6 6 TYR C C 170.909 0.000 1 21 6 6 TYR CA C 58.135 1 1 22 6 6 TYR CB C 40.103 1 1 23 6 6 TYR N N 117.405 0.006 1 24 7 7 GLY H H 7.960 1 1 25 7 7 GLY C C 170.243 0.000 1 26 7 7 GLY CA C 43.301 1 1 27 7 7 GLY N N 105.580 0.057 1 28 8 8 ASP H H 9.699 1 1 29 8 8 ASP C C 174.856 0.000 1 30 8 8 ASP CA C 52.111 1 1 31 8 8 ASP CB C 41.765 1 1 32 8 8 ASP N N 119.830 0.037 1 33 9 9 VAL H H 9.912 1 1 34 9 9 VAL C C 173.842 0.000 1 35 9 9 VAL CA C 64.238 1 1 36 9 9 VAL CB C 31.732 1 1 37 9 9 VAL N N 126.766 0.053 1 38 10 10 ASN H H 8.483 1 1 39 10 10 ASN C C 174.096 0.000 1 40 10 10 ASN CA C 54.830 1 1 41 10 10 ASN CB C 38.144 1 1 42 10 10 ASN N N 119.388 0.038 1 43 11 11 ARG H H 8.043 1 1 44 11 11 ARG C C 172.169 0.000 1 45 11 11 ARG CA C 54.948 1 1 46 11 11 ARG CB C 30.879 1 1 47 11 11 ARG N N 117.781 0.016 1 48 12 12 VAL H H 6.852 1 1 49 12 12 VAL C C 172.502 0.000 1 50 12 12 VAL N N 121.870 0.000 1 51 13 13 ASP H H 8.267 1 1 52 13 13 ASP C C 172.745 0.000 1 53 13 13 ASP CA C 53.594 1 1 54 13 13 ASP CB C 41.498 1 1 55 13 13 ASP N N 125.331 0.062 1 56 14 14 THR H H 8.506 1 1 57 14 14 THR CA C 58.633 1 1 58 14 14 THR CB C 68.870 1 1 59 14 14 THR N N 115.969 0.056 1 60 15 15 THR H H 8.225 1 1 61 15 15 THR C C 173.131 0.000 1 62 15 15 THR CA C 61.280 1 1 63 15 15 THR CB C 68.595 1 1 64 15 15 THR N N 116.351 0.035 1 65 16 16 GLY H H 9.198 1 1 66 16 16 GLY C C 168.165 0.000 1 67 16 16 GLY CA C 44.733 1 1 68 16 16 GLY N N 110.369 0.020 1 69 17 17 ALA H H 6.809 1 1 70 17 17 ALA C C 176.719 0.000 1 71 17 17 ALA CA C 51.912 1 1 72 17 17 ALA CB C 18.147 1 1 73 17 17 ALA N N 123.293 0.051 1 74 18 18 SER H H 11.282 1 1 75 18 18 SER C C 175.099 0.000 1 76 18 18 SER CA C 58.043 1 1 77 18 18 SER CB C 64.994 1 1 78 18 18 SER N N 121.809 0.031 1 79 19 19 CYS H H 9.681 1 1 80 19 19 CYS C C 174.370 0.000 1 81 19 19 CYS CA C 56.157 1 1 82 19 19 CYS CB C 37.072 1 1 83 19 19 CYS N N 122.278 0.050 1 84 20 20 LYS H H 8.008 1 1 85 20 20 LYS C C 175.218 0.000 1 86 20 20 LYS CA C 59.206 1 1 87 20 20 LYS CB C 32.426 1 1 88 20 20 LYS N N 118.729 0.022 1 89 21 21 SER H H 6.851 1 1 90 21 21 SER C C 172.116 0.000 1 91 21 21 SER CA C 61.952 1 1 92 21 21 SER CB C 62.585 1 1 93 21 21 SER N N 121.815 0.032 1 94 22 22 ALA H H 7.605 1 1 95 22 22 ALA C C 175.671 0.000 1 96 22 22 ALA CA C 54.794 1 1 97 22 22 ALA CB C 20.831 1 1 98 22 22 ALA N N 124.072 0.026 1 99 23 23 LYS H H 8.219 1 1 100 23 23 LYS CA C 61.262 1 1 101 23 23 LYS CB C 29.586 1 1 102 23 23 LYS N N 118.954 0.051 1 103 24 24 PRO CA C 65.569 1 1 104 24 24 PRO CB C 31.206 1 1 105 25 25 GLU H H 6.816 1 1 106 25 25 GLU C C 172.357 0.000 1 107 25 25 GLU CA C 54.441 1 1 108 25 25 GLU CB C 27.347 1 1 109 25 25 GLU N N 114.310 0.026 1 110 26 26 LYS H H 8.182 1 1 111 26 26 LYS C C 172.961 0.000 1 112 26 26 LYS CA C 56.922 1 1 113 26 26 LYS CB C 27.987 1 1 114 26 26 LYS N N 112.580 0.022 1 115 27 27 LEU H H 6.922 1 1 116 27 27 LEU C C 174.454 0.000 1 117 27 27 LEU CA C 53.010 1 1 118 27 27 LEU CB C 43.986 1 1 119 27 27 LEU N N 117.375 0.047 1 120 28 28 ASN H H 8.505 1 1 121 28 28 ASN C C 170.583 0.000 1 122 28 28 ASN CA C 52.153 1 1 123 28 28 ASN CB C 37.979 1 1 124 28 28 ASN N N 119.555 0.013 1 125 29 29 TYR H H 6.602 1 1 126 29 29 TYR C C 170.012 0.000 1 127 29 29 TYR CA C 54.152 1 1 128 29 29 TYR CB C 39.145 1 1 129 29 29 TYR N N 114.674 0.051 1 130 30 30 CYS H H 8.686 1 1 131 30 30 CYS C C 171.233 0.000 1 132 30 30 CYS CA C 52.258 1 1 133 30 30 CYS CB C 43.704 1 1 134 30 30 CYS N N 115.666 0.044 1 135 31 31 GLY H H 8.731 1 1 136 31 31 GLY C C 174.113 0.000 1 137 31 31 GLY CA C 46.046 1 1 138 31 31 GLY N N 109.472 0.057 1 139 32 32 VAL H H 8.901 1 1 140 32 32 VAL C C 175.027 0.000 1 141 32 32 VAL CA C 67.620 1 1 142 32 32 VAL CB C 31.680 1 1 143 32 32 VAL N N 125.456 0.060 1 144 33 33 ALA H H 9.013 1 1 145 33 33 ALA C C 178.458 0.000 1 146 33 33 ALA CA C 55.397 1 1 147 33 33 ALA CB C 18.354 1 1 148 33 33 ALA N N 120.015 0.024 1 149 34 34 ALA H H 6.832 1 1 150 34 34 ALA C C 175.432 0.000 1 151 34 34 ALA CA C 54.805 1 1 152 34 34 ALA CB C 18.211 1 1 153 34 34 ALA N N 119.018 0.022 1 154 35 35 SER H H 8.207 1 1 155 35 35 SER C C 173.212 0.000 1 156 35 35 SER CA C 64.343 1 1 157 35 35 SER N N 115.592 0.015 1 158 36 36 ARG H H 8.345 1 1 159 36 36 ARG CA C 60.110 1 1 160 36 36 ARG CB C 30.635 1 1 161 36 36 ARG N N 117.901 0.045 1 162 37 37 LYS H H 7.640 1 1 163 37 37 LYS C C 175.401 0.000 1 164 37 37 LYS CA C 56.854 1 1 165 37 37 LYS CB C 30.106 1 1 166 37 37 LYS N N 121.117 0.013 1 167 38 38 ILE H H 8.341 1 1 168 38 38 ILE C C 175.232 0.000 1 169 38 38 ILE CA C 65.609 1 1 170 38 38 ILE CB C 38.442 1 1 171 38 38 ILE N N 119.593 0.034 1 172 39 39 ALA H H 7.970 1 1 173 39 39 ALA C C 178.782 0.000 1 174 39 39 ALA CA C 54.228 1 1 175 39 39 ALA CB C 18.394 1 1 176 39 39 ALA N N 120.816 0.064 1 177 40 40 GLU H H 7.774 1 1 178 40 40 GLU C C 176.722 0.000 1 179 40 40 GLU CA C 59.134 1 1 180 40 40 GLU CB C 29.593 1 1 181 40 40 GLU N N 122.215 0.032 1 182 41 41 ARG H H 8.032 1 1 183 41 41 ARG C C 175.550 0.000 1 184 41 41 ARG CA C 59.073 1 1 185 41 41 ARG CB C 30.374 1 1 186 41 41 ARG N N 120.625 0.026 1 187 42 42 ASP H H 7.438 1 1 188 42 42 ASP C C 173.422 0.000 1 189 42 42 ASP CA C 54.544 1 1 190 42 42 ASP CB C 41.350 1 1 191 42 42 ASP N N 116.993 0.040 1 192 43 43 LEU H H 7.719 1 1 193 43 43 LEU C C 174.168 0.000 1 194 43 43 LEU CA C 59.767 1 1 195 43 43 LEU CB C 43.117 1 1 196 43 43 LEU N N 124.217 0.028 1 197 44 44 GLN H H 8.668 1 1 198 44 44 GLN C C 176.868 0.000 1 199 44 44 GLN CA C 59.872 1 1 200 44 44 GLN CB C 28.091 1 1 201 44 44 GLN N N 116.888 0.079 1 202 45 45 SER H H 8.186 1 1 203 45 45 SER C C 173.373 0.000 1 204 45 45 SER CA C 62.241 1 1 205 45 45 SER CB C 63.663 1 1 206 45 45 SER N N 115.458 0.046 1 207 46 46 MET H H 8.639 1 1 208 46 46 MET CA C 57.073 1 1 209 46 46 MET CB C 30.150 1 1 210 46 46 MET N N 123.608 0.070 1 211 47 47 ASP H H 8.564 1 1 212 47 47 ASP C C 176.591 0.000 1 213 47 47 ASP CA C 56.620 1 1 214 47 47 ASP CB C 40.292 1 1 215 47 47 ASP N N 115.699 0.039 1 216 48 48 ARG H H 7.303 1 1 217 48 48 ARG C C 174.652 0.000 1 218 48 48 ARG CA C 58.528 1 1 219 48 48 ARG CB C 29.558 1 1 220 48 48 ARG N N 119.833 0.032 1 221 49 49 TYR H H 8.032 1 1 222 49 49 TYR C C 172.896 0.000 1 223 49 49 TYR CA C 56.275 1 1 224 49 49 TYR CB C 38.671 1 1 225 49 49 TYR N N 116.092 0.049 1 226 50 50 LYS H H 7.329 1 1 227 50 50 LYS C C 173.862 0.000 1 228 50 50 LYS CA C 61.370 1 1 229 50 50 LYS CB C 32.789 1 1 230 50 50 LYS N N 123.105 0.036 1 231 51 51 ALA H H 8.517 1 1 232 51 51 ALA C C 178.301 0.000 1 233 51 51 ALA CA C 55.473 1 1 234 51 51 ALA CB C 17.550 1 1 235 51 51 ALA N N 118.95 1 1 236 52 52 LEU H H 7.621 1 1 237 52 52 LEU CA C 57.674 1 1 238 52 52 LEU CB C 42.878 1 1 239 52 52 LEU N N 120.035 0.028 1 240 53 53 ILE H H 8.698 1 1 241 53 53 ILE C C 175.750 0.000 1 242 53 53 ILE CA C 66.657 1 1 243 53 53 ILE CB C 38.846 1 1 244 53 53 ILE N N 120.221 0.026 1 245 54 54 LYS H H 8.504 1 1 246 54 54 LYS C C 175.970 0.000 1 247 54 54 LYS CA C 60.364 1 1 248 54 54 LYS CB C 32.086 1 1 249 54 54 LYS N N 117.060 0.036 1 250 55 55 LYS H H 7.886 1 1 251 55 55 LYS C C 176.624 0.000 1 252 55 55 LYS CA C 59.945 1 1 253 55 55 LYS CB C 33.314 1 1 254 55 55 LYS N N 121.713 0.025 1 255 56 56 VAL H H 8.448 1 1 256 56 56 VAL C C 175.077 0.000 1 257 56 56 VAL CA C 67.016 1 1 258 56 56 VAL CB C 31.631 1 1 259 56 56 VAL N N 120.848 0.042 1 260 57 57 GLY H H 8.557 1 1 261 57 57 GLY C C 173.672 0.000 1 262 57 57 GLY CA C 48.780 1 1 263 57 57 GLY N N 106.430 0.031 1 264 58 58 GLN H H 8.308 1 1 265 58 58 GLN C C 176.326 0.000 1 266 58 58 GLN CA C 59.102 1 1 267 58 58 GLN CB C 28.127 1 1 268 58 58 GLN N N 119.943 0.023 1 269 59 59 LYS H H 8.109 1 1 270 59 59 LYS C C 175.847 0.000 1 271 59 59 LYS CA C 58.984 1 1 272 59 59 LYS CB C 32.389 1 1 273 59 59 LYS N N 120.243 0.042 1 274 60 60 LEU H H 7.847 1 1 275 60 60 LEU C C 172.853 0.000 1 276 60 60 LEU CA C 54.193 1 1 277 60 60 LEU CB C 41.876 1 1 278 60 60 LEU N N 115.216 0.054 1 279 61 61 CYS H H 8.046 1 1 280 61 61 CYS C C 170.761 0.000 1 281 61 61 CYS CA C 54.544 1 1 282 61 61 CYS CB C 42.305 1 1 283 61 61 CYS N N 123.164 0.046 1 284 62 62 VAL H H 8.911 1 1 285 62 62 VAL C C 171.829 0.000 1 286 62 62 VAL CA C 60.666 1 1 287 62 62 VAL CB C 36.408 1 1 288 62 62 VAL N N 119.009 0.048 1 289 63 63 ASP H H 8.140 1 1 290 63 63 ASP CA C 52.557 1 1 291 63 63 ASP CB C 42.203 1 1 292 63 63 ASP N N 127.400 0.046 1 293 64 64 PRO CA C 64.826 1 1 294 64 64 PRO CB C 32.936 1 1 295 65 65 ALA H H 8.931 1 1 296 65 65 ALA C C 177.963 0.000 1 297 65 65 ALA CA C 55.449 1 1 298 65 65 ALA CB C 18.700 1 1 299 65 65 ALA N N 117.655 0.028 1 300 66 66 VAL H H 7.694 1 1 301 66 66 VAL C C 173.775 0.000 1 302 66 66 VAL CA C 66.564 1 1 303 66 66 VAL CB C 31.128 1 1 304 66 66 VAL N N 116.469 0.045 1 305 67 67 ILE H H 6.700 1 1 306 67 67 ILE C C 174.763 0.000 1 307 67 67 ILE CA C 66.346 1 1 308 67 67 ILE CB C 37.445 1 1 309 67 67 ILE N N 118.824 0.034 1 310 68 68 ALA H H 8.075 1 1 311 68 68 ALA C C 176.155 0.000 1 312 68 68 ALA CA C 55.196 1 1 313 68 68 ALA CB C 17.898 1 1 314 68 68 ALA N N 119.684 0.054 1 315 69 69 GLY H H 8.327 1 1 316 69 69 GLY C C 172.118 0.000 1 317 69 69 GLY CA C 48.423 1 1 318 69 69 GLY N N 106.083 0.045 1 319 70 70 ILE H H 7.968 1 1 320 70 70 ILE C C 174.539 0.000 1 321 70 70 ILE CA C 65.573 1 1 322 70 70 ILE CB C 37.739 1 1 323 70 70 ILE N N 121.517 0.027 1 324 71 71 ILE H H 8.378 1 1 325 71 71 ILE C C 176.723 0.000 1 326 71 71 ILE CA C 65.427 1 1 327 71 71 ILE CB C 37.449 1 1 328 71 71 ILE N N 119.719 0.042 1 329 72 72 SER H H 8.606 1 1 330 72 72 SER C C 173.883 0.000 1 331 72 72 SER CA C 61.686 1 1 332 72 72 SER CB C 63.673 1 1 333 72 72 SER N N 114.908 0.050 1 334 73 73 ARG H H 7.604 1 1 335 73 73 ARG C C 174.769 0.000 1 336 73 73 ARG CA C 57.420 1 1 337 73 73 ARG CB C 30.755 1 1 338 73 73 ARG N N 118.325 0.032 1 339 74 74 GLU H H 9.458 1 1 340 74 74 GLU C C 175.851 0.000 1 341 74 74 GLU CA C 58.142 1 1 342 74 74 GLU CB C 29.336 1 1 343 74 74 GLU N N 115.872 0.029 1 344 75 75 SER H H 8.292 1 1 345 75 75 SER C C 173.670 0.000 1 346 75 75 SER CA C 57.856 1 1 347 75 75 SER CB C 67.456 1 1 348 75 75 SER N N 106.908 0.041 1 349 76 76 HIS H H 8.321 1 1 350 76 76 HIS C C 173.086 0.000 1 351 76 76 HIS CA C 57.713 1 1 352 76 76 HIS CB C 27.308 1 1 353 76 76 HIS N N 121.971 0.038 1 354 77 77 ALA H H 7.457 1 1 355 77 77 ALA C C 172.025 0.000 1 356 77 77 ALA CA C 53.060 1 1 357 77 77 ALA CB C 16.575 1 1 358 77 77 ALA N N 113.870 0.034 1 359 78 78 GLY H H 7.496 1 1 360 78 78 GLY CA C 45.736 1 1 361 78 78 GLY N N 103.112 0.043 1 362 79 79 LYS H H 7.632 1 1 363 79 79 LYS C C 174.681 0.000 1 364 79 79 LYS CA C 59.362 1 1 365 79 79 LYS CB C 32.316 1 1 366 79 79 LYS N N 121.140 0.037 1 367 80 80 ALA H H 7.586 1 1 368 80 80 ALA C C 173.956 0.000 1 369 80 80 ALA CA C 51.921 1 1 370 80 80 ALA CB C 19.799 1 1 371 80 80 ALA N N 116.102 0.024 1 372 81 81 LEU H H 6.941 1 1 373 81 81 LEU CA C 53.272 1 1 374 81 81 LEU CB C 42.719 1 1 375 81 81 LEU N N 115.272 0.050 1 376 82 82 ARG H H 8.696 1 1 377 82 82 ARG C C 173.691 0.000 1 378 82 82 ARG CA C 54.878 1 1 379 82 82 ARG CB C 30.791 1 1 380 82 82 ARG N N 120.191 0.046 1 381 83 83 ASN H H 9.310 1 1 382 83 83 ASN C C 171.666 0.000 1 383 83 83 ASN CA C 54.164 1 1 384 83 83 ASN CB C 37.843 1 1 385 83 83 ASN N N 126.535 0.062 1 386 84 84 GLY H H 7.320 1 1 387 84 84 GLY C C 169.180 0.000 1 388 84 84 GLY CA C 45.090 1 1 389 84 84 GLY N N 100.414 0.049 1 390 85 85 TRP H H 7.566 1 1 391 85 85 TRP C C 174.959 0.000 1 392 85 85 TRP CA C 56.188 1 1 393 85 85 TRP CB C 32.056 1 1 394 85 85 TRP N N 119.863 0.029 1 395 86 86 GLY H H 9.334 1 1 396 86 86 GLY C C 173.188 0.000 1 397 86 86 GLY CA C 44.638 1 1 398 86 86 GLY N N 109.753 0.028 1 399 87 87 ASP H H 8.946 1 1 400 87 87 ASP C C 174.700 0.000 1 401 87 87 ASP CA C 56.832 1 1 402 87 87 ASP CB C 40.358 1 1 403 87 87 ASP N N 121.716 0.028 1 404 88 88 ASN H H 8.563 1 1 405 88 88 ASN C C 173.858 0.000 1 406 88 88 ASN CA C 53.199 1 1 407 88 88 ASN CB C 37.737 1 1 408 88 88 ASN N N 114.774 0.050 1 409 89 89 GLY H H 8.149 1 1 410 89 89 GLY C C 170.332 0.000 1 411 89 89 GLY CA C 46.029 1 1 412 89 89 GLY N N 106.693 0.046 1 413 90 90 ASN H H 8.320 1 1 414 90 90 ASN C C 172.418 0.000 1 415 90 90 ASN CA C 54.441 1 1 416 90 90 ASN CB C 40.573 1 1 417 90 90 ASN N N 116.336 0.066 1 418 91 91 GLY H H 8.705 1 1 419 91 91 GLY C C 170.269 0.000 1 420 91 91 GLY CA C 44.888 1 1 421 91 91 GLY N N 107.764 0.030 1 422 92 92 PHE H H 9.282 1 1 423 92 92 PHE C C 173.835 0.000 1 424 92 92 PHE CA C 56.635 1 1 425 92 92 PHE CB C 42.245 1 1 426 92 92 PHE N N 126.240 0.036 1 427 93 93 GLY H H 8.198 1 1 428 93 93 GLY C C 172.676 0.000 1 429 93 93 GLY CA C 43.749 1 1 430 93 93 GLY N N 111.409 0.041 1 431 94 94 LEU H H 7.041 1 1 432 94 94 LEU C C 175.905 0.000 1 433 94 94 LEU CA C 57.716 1 1 434 94 94 LEU CB C 43.916 1 1 435 94 94 LEU N N 120.804 0.030 1 436 95 95 MET H H 12.214 1 1 437 95 95 MET C C 171.756 0.000 1 438 95 95 MET CA C 57.200 1 1 439 95 95 MET CB C 33.294 1 1 440 95 95 MET N N 116.920 0.034 1 441 96 96 GLN H H 7.796 1 1 442 96 96 GLN C C 173.177 0.000 1 443 96 96 GLN CA C 55.564 1 1 444 96 96 GLN CB C 27.588 1 1 445 96 96 GLN N N 115.561 0.026 1 446 97 97 VAL H H 8.493 1 1 447 97 97 VAL C C 173.719 0.000 1 448 97 97 VAL CA C 63.668 1 1 449 97 97 VAL CB C 33.036 1 1 450 97 97 VAL N N 122.693 0.053 1 451 98 98 ASP H H 8.974 1 1 452 98 98 ASP C C 175.118 0.000 1 453 98 98 ASP CA C 54.197 1 1 454 98 98 ASP CB C 42.359 1 1 455 98 98 ASP N N 130.141 0.037 1 456 99 99 ARG H H 8.974 1 1 457 99 99 ARG C C 173.986 0.000 1 458 99 99 ARG CA C 57.109 1 1 459 99 99 ARG CB C 29.404 1 1 460 99 99 ARG N N 127.442 0.039 1 461 100 100 ARG H H 9.084 1 1 462 100 100 ARG C C 175.009 0.000 1 463 100 100 ARG CA C 57.859 1 1 464 100 100 ARG CB C 29.641 1 1 465 100 100 ARG N N 120.751 0.039 1 466 101 101 SER H H 7.575 1 1 467 101 101 SER C C 170.479 0.000 1 468 101 101 SER CA C 58.172 1 1 469 101 101 SER CB C 64.918 1 1 470 101 101 SER N N 111.079 0.034 1 471 102 102 HIS H H 8.084 1 1 472 102 102 HIS C C 169.582 0.000 1 473 102 102 HIS CA C 54.158 1 1 474 102 102 HIS CB C 32.041 1 1 475 102 102 HIS N N 118.855 0.047 1 476 103 103 LYS H H 8.532 1 1 477 103 103 LYS CA C 53.933 1 1 478 103 103 LYS CB C 31.948 1 1 479 103 103 LYS N N 123.224 0.047 1 480 104 104 PRO CA C 62.965 1 1 481 104 104 PRO CB C 32.302 1 1 482 105 105 VAL H H 7.915 1 1 483 105 105 VAL C C 173.384 0.000 1 484 105 105 VAL CA C 60.040 1 1 485 105 105 VAL CB C 34.973 1 1 486 105 105 VAL N N 118.096 0.043 1 487 106 106 GLY H H 8.175 1 1 488 106 106 GLY C C 170.729 0.000 1 489 106 106 GLY CA C 44.301 1 1 490 106 106 GLY N N 105.920 0.036 1 491 107 107 GLU H H 8.218 1 1 492 107 107 GLU C C 177.556 0.000 1 493 107 107 GLU CA C 56.473 1 1 494 107 107 GLU CB C 30.228 1 1 495 107 107 GLU N N 115.139 0.038 1 496 108 108 TRP H H 8.566 1 1 497 108 108 TRP C C 170.379 0.000 1 498 108 108 TRP CA C 58.692 1 1 499 108 108 TRP CB C 29.050 1 1 500 108 108 TRP N N 119.837 0.028 1 501 109 109 ASN H H 6.541 1 1 502 109 109 ASN C C 171.625 0.000 1 503 109 109 ASN CA C 49.600 1 1 504 109 109 ASN CB C 35.044 1 1 505 109 109 ASN N N 114.173 0.022 1 506 110 110 GLY H H 6.828 1 1 507 110 110 GLY C C 171.435 0.000 1 508 110 110 GLY CA C 44.153 1 1 509 110 110 GLY N N 102.055 0.046 1 510 111 111 GLU H H 8.708 1 1 511 111 111 GLU C C 175.242 0.000 1 512 111 111 GLU CA C 60.243 1 1 513 111 111 GLU CB C 30.714 1 1 514 111 111 GLU N N 118.911 0.042 1 515 112 112 ARG H H 8.659 1 1 516 112 112 ARG CA C 60.015 1 1 517 112 112 ARG CB C 29.908 1 1 518 112 112 ARG N N 117.685 0.054 1 519 113 113 HIS H H 8.700 1 1 520 113 113 HIS C C 173.697 0.000 1 521 113 113 HIS CA C 59.434 1 1 522 113 113 HIS CB C 28.470 1 1 523 113 113 HIS N N 120.239 0.029 1 524 114 114 LEU H H 7.645 1 1 525 114 114 LEU C C 178.059 0.000 1 526 114 114 LEU CA C 57.003 1 1 527 114 114 LEU CB C 42.862 1 1 528 114 114 LEU N N 117.678 0.029 1 529 115 115 MET H H 8.811 1 1 530 115 115 MET C C 174.212 0.000 1 531 115 115 MET CA C 57.771 1 1 532 115 115 MET CB C 30.701 1 1 533 115 115 MET N N 120.095 0.031 1 534 116 116 GLN H H 7.632 1 1 535 116 116 GLN C C 176.696 0.000 1 536 116 116 GLN CA C 59.628 1 1 537 116 116 GLN CB C 27.929 1 1 538 116 116 GLN N N 120.290 0.022 1 539 117 117 GLY H H 8.739 1 1 540 117 117 GLY C C 172.825 0.000 1 541 117 117 GLY CA C 47.554 1 1 542 117 117 GLY N N 104.466 0.044 1 543 118 118 THR H H 8.035 1 1 544 118 118 THR C C 173.721 0.000 1 545 118 118 THR CA C 68.153 1 1 546 118 118 THR CB C 66.527 1 1 547 118 118 THR N N 118.905 0.025 1 548 119 119 GLU H H 8.719 1 1 549 119 119 GLU C C 177.840 0.000 1 550 119 119 GLU CA C 60.292 1 1 551 119 119 GLU CB C 29.002 1 1 552 119 119 GLU N N 123.335 0.050 1 553 120 120 ILE H H 8.045 1 1 554 120 120 ILE CA C 65.851 1 1 555 120 120 ILE CB C 37.620 1 1 556 120 120 ILE N N 122.722 0.038 1 557 121 121 LEU H H 8.105 1 1 558 121 121 LEU C C 175.551 0.000 1 559 121 121 LEU CA C 59.586 1 1 560 121 121 LEU CB C 40.218 1 1 561 121 121 LEU N N 122.348 0.026 1 562 122 122 ILE H H 8.671 1 1 563 122 122 ILE CA C 66.303 1 1 564 122 122 ILE CB C 37.937 1 1 565 122 122 ILE N N 119.704 0.050 1 566 123 123 SER H H 8.221 1 1 567 123 123 SER C C 174.838 0.000 1 568 123 123 SER CA C 62.433 1 1 569 123 123 SER N N 116.291 0.077 1 570 124 124 MET H H 8.084 1 1 571 124 124 MET C C 175.688 0.000 1 572 124 124 MET CA C 57.229 1 1 573 124 124 MET CB C 33.944 1 1 574 124 124 MET N N 122.580 0.032 1 575 125 125 ILE H H 8.580 1 1 576 125 125 ILE C C 176.157 0.000 1 577 125 125 ILE CA C 66.571 1 1 578 125 125 ILE CB C 38.462 1 1 579 125 125 ILE N N 121.125 0.033 1 580 126 126 LYS H H 8.983 1 1 581 126 126 LYS C C 176.913 0.000 1 582 126 126 LYS CA C 60.075 1 1 583 126 126 LYS CB C 32.158 1 1 584 126 126 LYS N N 118.225 0.067 1 585 127 127 ALA H H 7.889 1 1 586 127 127 ALA C C 178.442 0.000 1 587 127 127 ALA CA C 55.090 1 1 588 127 127 ALA CB C 17.558 1 1 589 127 127 ALA N N 121.974 0.053 1 590 128 128 ILE H H 8.067 1 1 591 128 128 ILE C C 174.870 0.000 1 592 128 128 ILE CA C 61.399 1 1 593 128 128 ILE CB C 34.559 1 1 594 128 128 ILE N N 121.806 0.045 1 595 129 129 GLN H H 8.932 1 1 596 129 129 GLN C C 175.679 0.000 1 597 129 129 GLN CA C 59.063 1 1 598 129 129 GLN CB C 27.887 1 1 599 129 129 GLN N N 121.133 0.026 1 600 130 130 LYS H H 7.372 1 1 601 130 130 LYS C C 175.104 0.000 1 602 130 130 LYS CA C 57.989 1 1 603 130 130 LYS CB C 32.644 1 1 604 130 130 LYS N N 115.351 0.019 1 605 131 131 LYS H H 7.457 1 1 606 131 131 LYS C C 173.319 0.000 1 607 131 131 LYS CA C 58.697 1 1 608 131 131 LYS CB C 34.783 1 1 609 131 131 LYS N N 120.010 0.028 1 610 132 132 PHE H H 7.985 1 1 611 132 132 PHE CA C 54.874 1 1 612 132 132 PHE CB C 37.394 1 1 613 132 132 PHE N N 115.188 0.061 1 614 133 133 PRO CA C 64.448 1 1 615 133 133 PRO CB C 32.312 1 1 616 134 134 ARG H H 8.566 1 1 617 134 134 ARG C C 175.403 0.000 1 618 134 134 ARG CA C 55.801 1 1 619 134 134 ARG CB C 29.611 1 1 620 134 134 ARG N N 115.588 0.031 1 621 135 135 TRP H H 7.400 1 1 622 135 135 TRP C C 173.531 0.000 1 623 135 135 TRP CA C 55.922 1 1 624 135 135 TRP CB C 31.446 1 1 625 135 135 TRP N N 121.904 0.043 1 626 136 136 THR H H 8.734 1 1 627 136 136 THR C C 173.438 0.000 1 628 136 136 THR CA C 60.955 1 1 629 136 136 THR CB C 71.501 1 1 630 136 136 THR N N 109.854 1 1 631 137 137 LYS H H 8.997 1 1 632 137 137 LYS C C 176.534 0.000 1 633 137 137 LYS CA C 59.642 1 1 634 137 137 LYS CB C 31.735 1 1 635 137 137 LYS N N 120.298 0.048 1 636 138 138 GLU H H 7.947 1 1 637 138 138 GLU C C 174.969 0.000 1 638 138 138 GLU CA C 62.162 1 1 639 138 138 GLU CB C 29.406 1 1 640 138 138 GLU N N 117.978 0.031 1 641 139 139 GLN H H 7.585 1 1 642 139 139 GLN C C 176.409 0.000 1 643 139 139 GLN CA C 58.899 1 1 644 139 139 GLN CB C 29.791 1 1 645 139 139 GLN N N 118.632 0.018 1 646 140 140 GLN H H 8.546 1 1 647 140 140 GLN C C 175.211 0.000 1 648 140 140 GLN CA C 58.495 1 1 649 140 140 GLN CB C 27.510 1 1 650 140 140 GLN N N 116.994 0.028 1 651 141 141 LEU H H 8.523 1 1 652 141 141 LEU C C 175.179 0.000 1 653 141 141 LEU CA C 58.524 1 1 654 141 141 LEU CB C 39.737 1 1 655 141 141 LEU N N 122.302 0.034 1 656 142 142 LYS H H 7.803 1 1 657 142 142 LYS C C 175.733 0.000 1 658 142 142 LYS CA C 61.296 1 1 659 142 142 LYS CB C 33.289 1 1 660 142 142 LYS N N 118.667 0.044 1 661 143 143 GLY H H 8.764 1 1 662 143 143 GLY C C 172.672 0.000 1 663 143 143 GLY CA C 47.525 1 1 664 143 143 GLY N N 102.761 0.045 1 665 144 144 GLY H H 9.274 1 1 666 144 144 GLY C C 171.686 0.000 1 667 144 144 GLY CA C 47.243 1 1 668 144 144 GLY N N 111.682 0.030 1 669 145 145 ILE H H 8.115 1 1 670 145 145 ILE C C 174.650 0.000 1 671 145 145 ILE CA C 66.127 1 1 672 145 145 ILE CB C 38.154 1 1 673 145 145 ILE N N 120.650 0.033 1 674 146 146 SER H H 8.215 1 1 675 146 146 SER C C 176.308 0.000 1 676 146 146 SER CA C 63.957 1 1 677 146 146 SER CB C 64.646 1 1 678 146 146 SER N N 114.307 0.034 1 679 147 147 ALA H H 8.598 1 1 680 147 147 ALA C C 176.160 0.000 1 681 147 147 ALA CA C 53.085 1 1 682 147 147 ALA CB C 18.744 1 1 683 147 147 ALA N N 119.398 0.044 1 684 148 148 TYR H H 8.122 1 1 685 148 148 TYR C C 173.154 0.000 1 686 148 148 TYR CA C 62.553 1 1 687 148 148 TYR CB C 38.917 1 1 688 148 148 TYR N N 122.549 0.051 1 689 149 149 ASN H H 6.773 1 1 690 149 149 ASN C C 173.433 0.000 1 691 149 149 ASN CA C 56.038 1 1 692 149 149 ASN CB C 41.383 1 1 693 149 149 ASN N N 113.130 0.020 1 694 150 150 ALA H H 7.357 1 1 695 150 150 ALA C C 174.750 0.000 1 696 150 150 ALA CA C 52.503 1 1 697 150 150 ALA CB C 22.247 1 1 698 150 150 ALA N N 118.196 0.034 1 699 151 151 GLY H H 8.787 1 1 700 151 151 GLY CA C 43.775 1 1 701 151 151 GLY N N 110.325 0.054 1 702 152 152 PRO CA C 65.335 1 1 703 152 152 PRO CB C 31.179 1 1 704 153 153 GLY H H 8.630 1 1 705 153 153 GLY C C 172.014 0.000 1 706 153 153 GLY CA C 46.239 1 1 707 153 153 GLY N N 105.916 0.036 1 708 154 154 ASN H H 7.430 1 1 709 154 154 ASN N N 116.683 0.036 1 710 156 156 ARG H H 8.571 1 1 711 156 156 ARG C C 173.680 0.000 1 712 156 156 ARG CA C 56.672 1 1 713 156 156 ARG CB C 31.873 1 1 714 156 156 ARG N N 126.215 0.032 1 715 157 157 SER H H 7.917 1 1 716 157 157 SER CA C 56.677 1 1 717 157 157 SER CB C 65.072 1 1 718 157 157 SER N N 112.287 0.017 1 719 163 163 ILE H H 7.883 1 1 720 163 163 ILE C C 175.075 0.000 1 721 163 163 ILE CA C 62.422 1 1 722 163 163 ILE CB C 34.743 1 1 723 163 163 ILE N N 125.601 0.047 1 724 164 164 GLY H H 9.555 1 1 725 164 164 GLY C C 174.061 0.000 1 726 164 164 GLY CA C 45.394 1 1 727 164 164 GLY N N 118.772 0.023 1 728 165 165 THR H H 7.997 1 1 729 165 165 THR C C 174.190 0.000 1 730 165 165 THR CA C 61.477 1 1 731 165 165 THR CB C 71.691 1 1 732 165 165 THR N N 111.451 0.029 1 733 166 166 THR H H 8.762 1 1 734 166 166 THR C C 172.239 0.000 1 735 166 166 THR CA C 65.547 1 1 736 166 166 THR CB C 68.963 1 1 737 166 166 THR N N 121.902 0.035 1 738 167 167 HIS H H 8.952 1 1 739 167 167 HIS C C 169.635 0.000 1 740 167 167 HIS CA C 55.395 1 1 741 167 167 HIS CB C 26.605 1 1 742 167 167 HIS N N 117.338 0.025 1 743 168 168 ASP H H 8.980 1 1 744 168 168 ASP C C 174.345 0.000 1 745 168 168 ASP CA C 55.672 1 1 746 168 168 ASP CB C 39.894 1 1 747 168 168 ASP N N 115.451 0.029 1 748 169 169 ASP H H 7.486 1 1 749 169 169 ASP C C 174.761 0.000 1 750 169 169 ASP CA C 54.447 1 1 751 169 169 ASP CB C 42.160 1 1 752 169 169 ASP N N 117.594 0.033 1 753 171 171 ALA H H 10.575 1 1 754 171 171 ALA C C 178.427 0.000 1 755 171 171 ALA CA C 55.556 1 1 756 171 171 ALA CB C 20.369 1 1 757 171 171 ALA N N 121.543 0.033 1 758 172 172 ASN H H 10.464 1 1 759 172 172 ASN C C 176.499 0.000 1 760 172 172 ASN CA C 59.061 1 1 761 172 172 ASN CB C 40.068 1 1 762 172 172 ASN N N 119.953 0.034 1 763 173 173 ASP H H 8.960 1 1 764 173 173 ASP C C 174.353 0.000 1 765 173 173 ASP CA C 57.198 1 1 766 173 173 ASP CB C 40.311 1 1 767 173 173 ASP N N 121.970 0.062 1 768 174 174 VAL H H 8.683 1 1 769 174 174 VAL C C 175.866 0.000 1 770 174 174 VAL CA C 68.668 1 1 771 174 174 VAL CB C 30.769 1 1 772 174 174 VAL N N 118.964 0.038 1 773 175 175 VAL H H 9.229 1 1 774 175 175 VAL C C 174.571 0.000 1 775 175 175 VAL CA C 67.465 1 1 776 175 175 VAL CB C 31.488 1 1 777 175 175 VAL N N 117.566 0.040 1 778 176 176 ALA H H 7.454 1 1 779 176 176 ALA C C 178.497 0.000 1 780 176 176 ALA CA C 55.473 1 1 781 176 176 ALA CB C 18.466 1 1 782 176 176 ALA N N 121.214 0.041 1 783 177 177 ARG H H 8.696 1 1 784 177 177 ARG C C 174.591 0.000 1 785 177 177 ARG CA C 60.235 1 1 786 177 177 ARG CB C 30.191 1 1 787 177 177 ARG N N 117.871 0.026 1 788 178 178 ALA H H 9.378 1 1 789 178 178 ALA C C 177.073 0.000 1 790 178 178 ALA CA C 55.070 1 1 791 178 178 ALA CB C 20.232 1 1 792 178 178 ALA N N 121.630 0.038 1 793 179 179 GLN H H 8.513 1 1 794 179 179 GLN C C 176.340 0.000 1 795 179 179 GLN CA C 59.358 1 1 796 179 179 GLN CB C 27.283 1 1 797 179 179 GLN N N 112.657 0.059 1 798 180 180 TYR H H 7.357 1 1 799 180 180 TYR C C 176.459 0.000 1 800 180 180 TYR CA C 62.589 1 1 801 180 180 TYR CB C 37.283 1 1 802 180 180 TYR N N 119.972 0.049 1 803 181 181 TYR H H 8.489 1 1 804 181 181 TYR C C 176.107 0.000 1 805 181 181 TYR CA C 63.701 1 1 806 181 181 TYR CB C 35.297 1 1 807 181 181 TYR N N 121.840 0.039 1 808 182 182 LYS H H 8.849 1 1 809 182 182 LYS C C 175.941 0.000 1 810 182 182 LYS CA C 58.184 1 1 811 182 182 LYS CB C 31.673 1 1 812 182 182 LYS N N 123.591 0.052 1 813 183 183 GLN H H 7.331 1 1 814 183 183 GLN C C 173.218 0.000 1 815 183 183 GLN CA C 56.055 1 1 816 183 183 GLN CB C 28.818 1 1 817 183 183 GLN N N 115.863 0.031 1 818 184 184 HIS H H 7.864 1 1 819 184 184 HIS C C 171.764 0.000 1 820 184 184 HIS CA C 55.938 1 1 821 184 184 HIS CB C 28.714 1 1 822 184 184 HIS N N 117.400 0.031 1 823 185 185 GLY H H 7.959 1 1 824 185 185 GLY C C 171.476 0.000 1 825 185 185 GLY CA C 46.577 1 1 826 185 185 GLY N N 105.023 0.055 1 827 186 186 TYR H H 7.775 1 1 828 186 186 TYR CA C 61.652 1 1 829 186 186 TYR CB C 38.576 1 1 830 186 186 TYR N N 124.837 0.034 1 stop_ save_