data_11467 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Family GH19 chitinase from Rye seeds ; _BMRB_accession_number 11467 _BMRB_flat_file_name bmr11467.str _Entry_type original _Submission_date 2011-12-19 _Accession_date 2011-12-20 _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 Okazaki Yoko . . 2 Shinya Shoko . . 3 Ohnuma Takayuki . . 4 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" 194 "13C chemical shifts" 530 "15N chemical shifts" 194 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-06 original author . stop_ _Original_release_date 2012-03-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'chitinoligosaccharide binding mode of Family GH19 chitinase from rye seeds' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Okazaki Yoko . . 2 Shinya Shoko . . 3 Ohnuma Takayuki . . 4 Fukamizo Tamo . . stop_ _Journal_abbreviation Biochemistry _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Family GH19 chitinase from Rye seeds' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Family GH19 chitinase' $RSC-c 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_RSC-c _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RSC-c _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 243 _Mol_residue_sequence ; SVSSIISHAQFDRMLLHRND GACQAKGFYTYDAFVAAANA FPGFGATGSTDARKRDVAAF LAQTSHETTGGWATAPDGAF AWGYCFKQERGAAADYCTPS AQWPCAPGKRYYGRGPIQLS HNYNYGPAGRAIGVDLLRNP DLVATDPTVSFKTALWFWMT AQAPKPSSHAVITGKWSPSG ADRAAGRAPGFGVITNIING GLECGHGQDSRVADRIGFYK RYCDILGVGYGDNLDCYNQR PFA ; loop_ _Residue_seq_code _Residue_label 1 SER 2 VAL 3 SER 4 SER 5 ILE 6 ILE 7 SER 8 HIS 9 ALA 10 GLN 11 PHE 12 ASP 13 ARG 14 MET 15 LEU 16 LEU 17 HIS 18 ARG 19 ASN 20 ASP 21 GLY 22 ALA 23 CYS 24 GLN 25 ALA 26 LYS 27 GLY 28 PHE 29 TYR 30 THR 31 TYR 32 ASP 33 ALA 34 PHE 35 VAL 36 ALA 37 ALA 38 ALA 39 ASN 40 ALA 41 PHE 42 PRO 43 GLY 44 PHE 45 GLY 46 ALA 47 THR 48 GLY 49 SER 50 THR 51 ASP 52 ALA 53 ARG 54 LYS 55 ARG 56 ASP 57 VAL 58 ALA 59 ALA 60 PHE 61 LEU 62 ALA 63 GLN 64 THR 65 SER 66 HIS 67 GLU 68 THR 69 THR 70 GLY 71 GLY 72 TRP 73 ALA 74 THR 75 ALA 76 PRO 77 ASP 78 GLY 79 ALA 80 PHE 81 ALA 82 TRP 83 GLY 84 TYR 85 CYS 86 PHE 87 LYS 88 GLN 89 GLU 90 ARG 91 GLY 92 ALA 93 ALA 94 ALA 95 ASP 96 TYR 97 CYS 98 THR 99 PRO 100 SER 101 ALA 102 GLN 103 TRP 104 PRO 105 CYS 106 ALA 107 PRO 108 GLY 109 LYS 110 ARG 111 TYR 112 TYR 113 GLY 114 ARG 115 GLY 116 PRO 117 ILE 118 GLN 119 LEU 120 SER 121 HIS 122 ASN 123 TYR 124 ASN 125 TYR 126 GLY 127 PRO 128 ALA 129 GLY 130 ARG 131 ALA 132 ILE 133 GLY 134 VAL 135 ASP 136 LEU 137 LEU 138 ARG 139 ASN 140 PRO 141 ASP 142 LEU 143 VAL 144 ALA 145 THR 146 ASP 147 PRO 148 THR 149 VAL 150 SER 151 PHE 152 LYS 153 THR 154 ALA 155 LEU 156 TRP 157 PHE 158 TRP 159 MET 160 THR 161 ALA 162 GLN 163 ALA 164 PRO 165 LYS 166 PRO 167 SER 168 SER 169 HIS 170 ALA 171 VAL 172 ILE 173 THR 174 GLY 175 LYS 176 TRP 177 SER 178 PRO 179 SER 180 GLY 181 ALA 182 ASP 183 ARG 184 ALA 185 ALA 186 GLY 187 ARG 188 ALA 189 PRO 190 GLY 191 PHE 192 GLY 193 VAL 194 ILE 195 THR 196 ASN 197 ILE 198 ILE 199 ASN 200 GLY 201 GLY 202 LEU 203 GLU 204 CYS 205 GLY 206 HIS 207 GLY 208 GLN 209 ASP 210 SER 211 ARG 212 VAL 213 ALA 214 ASP 215 ARG 216 ILE 217 GLY 218 PHE 219 TYR 220 LYS 221 ARG 222 TYR 223 CYS 224 ASP 225 ILE 226 LEU 227 GLY 228 VAL 229 GLY 230 TYR 231 GLY 232 ASP 233 ASN 234 LEU 235 ASP 236 CYS 237 TYR 238 ASN 239 GLN 240 ARG 241 PRO 242 PHE 243 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 4DWX "Crystal Structure Of A Family Gh-19 Chitinase From Rye Seeds" 100.00 244 100.00 100.00 1.49e-177 PDB 4DYG "Crystal Structure Of A Family Gh-19 Chitinase From Rye Seeds In Complex With (glcnac)4" 100.00 244 100.00 100.00 1.49e-177 PDB 4J0L "Crystal Structure Of A Family Gh19 Chitinase (w72a/e67q Mutant) From Rye Seeds In Complex With Two (glcnac)4 Molecules" 100.00 244 99.18 99.59 1.94e-175 DBJ BAB18520 "seed chitinase-c [Secale cereale]" 100.00 266 100.00 100.00 2.34e-178 SP Q9FRV0 "RecName: Full=Basic endochitinase C; AltName: Full=Rye seed chitinase-c; Short=RSC-c; Flags: Precursor" 100.00 266 100.00 100.00 2.34e-178 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RSC-c rye 4550 Eukaryota Viridiplantae Secale cereale 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 $RSC-c 'recombinant technology' E.coli Escherichia coli . pET-22b 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 $RSC-c 0.3 mM '[U-99% 13C; U-99% 15N]' 'sodium acetate' 50 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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_HNCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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 HNCACO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' 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 'Family GH19 chitinase' _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 6 6 ILE H H 7.815 0.007 1 2 6 6 ILE C C 173.439 0 1 3 6 6 ILE CA C 57.427 0 1 4 6 6 ILE CB C 41.485 0 1 5 6 6 ILE N N 116.329 0.099 1 6 7 7 SER H H 9.376 0.006 1 7 7 7 SER C C 174.015 0 1 8 7 7 SER CA C 56.519 0.066 1 9 7 7 SER CB C 66.205 0 1 10 7 7 SER N N 126.097 0.05 1 11 8 8 HIS H H 8.838 0.003 1 12 8 8 HIS C C 176.929 0 1 13 8 8 HIS CA C 56.863 0 1 14 8 8 HIS CB C 28.643 0 1 15 8 8 HIS N N 122.637 0.061 1 16 9 9 ALA H H 8.252 0.003 1 17 9 9 ALA C C 181.218 0 1 18 9 9 ALA CA C 54.971 0.066 1 19 9 9 ALA CB C 17.974 0 1 20 9 9 ALA N N 120.379 0.082 1 21 10 10 GLN H H 7.863 0.005 1 22 10 10 GLN C C 177.438 0 1 23 10 10 GLN CA C 59.264 0.015 1 24 10 10 GLN CB C 29.184 0 1 25 10 10 GLN N N 118.586 0.08 1 26 13 13 ARG H H 7.589 0.002 1 27 13 13 ARG C C 178.463 0 1 28 13 13 ARG CA C 57.914 0 1 29 13 13 ARG CB C 29.921 0 1 30 13 13 ARG N N 118.845 0.063 1 31 14 14 MET H H 8.144 0.004 1 32 14 14 MET C C 177.636 0 1 33 14 14 MET CA C 59.103 0.045 1 34 14 14 MET CB C 32.17 0 1 35 14 14 MET N N 117.808 0.045 1 36 15 15 LEU H H 7.862 0.003 1 37 15 15 LEU C C 178.783 0 1 38 15 15 LEU CA C 52.707 0.04 1 39 15 15 LEU CB C 39.579 0 1 40 15 15 LEU N N 123.326 0.094 1 41 17 17 HIS H H 7.27 0.005 1 42 17 17 HIS C C 173.997 0 1 43 17 17 HIS CA C 54.998 0.052 1 44 17 17 HIS CB C 26.471 0 1 45 17 17 HIS N N 112.227 0.08 1 46 18 18 ARG H H 6.784 0.003 1 47 18 18 ARG C C 174.222 0 1 48 18 18 ARG CA C 58.419 0.037 1 49 18 18 ARG CB C 28.219 0 1 50 18 18 ARG N N 118.671 0.081 1 51 19 19 ASN H H 7.999 0.005 1 52 19 19 ASN C C 174.435 0 1 53 19 19 ASN CA C 51.943 0.047 1 54 19 19 ASN CB C 37.994 0 1 55 19 19 ASN N N 114.757 0.069 1 56 20 20 ASP H H 7.742 0.003 1 57 20 20 ASP C C 176.535 0 1 58 20 20 ASP CA C 54.38 0 1 59 20 20 ASP CB C 43.376 0 1 60 20 20 ASP N N 121.244 0.074 1 61 21 21 GLY H H 8.638 0.004 1 62 21 21 GLY C C 174.825 0 1 63 21 21 GLY CA C 47.367 0 1 64 21 21 GLY N N 106.887 0.07 1 65 22 22 ALA H H 8.784 0.003 1 66 22 22 ALA C C 178.596 0 1 67 22 22 ALA CA C 52.386 0.055 1 68 22 22 ALA CB C 19.029 0 1 69 22 22 ALA N N 123.233 0.061 1 70 23 23 CYS H H 8.141 0.004 1 71 23 23 CYS C C 175.707 0 1 72 23 23 CYS CA C 55.802 0.014 1 73 23 23 CYS CB C 39.57 0 1 74 23 23 CYS N N 116.534 0.093 1 75 24 24 GLN H H 8.189 0.003 1 76 24 24 GLN C C 176.367 0 1 77 24 24 GLN CA C 57.218 0.047 1 78 24 24 GLN CB C 31.12 0 1 79 24 24 GLN N N 123.299 0.062 1 80 25 25 ALA H H 8.128 0.004 1 81 25 25 ALA C C 175.345 0 1 82 25 25 ALA CA C 50.507 0 1 83 25 25 ALA CB C 19.343 0 1 84 25 25 ALA N N 121.546 0.067 1 85 26 26 LYS H H 7.324 0.003 1 86 26 26 LYS C C 178.104 0 1 87 26 26 LYS CA C 58.401 0 1 88 26 26 LYS CB C 31.661 0 1 89 26 26 LYS N N 118.649 0.061 1 90 27 27 GLY H H 8.985 0.002 1 91 27 27 GLY CA C 45.445 0 1 92 27 27 GLY N N 113.86 0.092 1 93 28 28 PHE H H 8.511 0.004 1 94 28 28 PHE C C 175.854 0 1 95 28 28 PHE CA C 60.49 0 1 96 28 28 PHE CB C 42.027 0 1 97 28 28 PHE N N 120.813 0.078 1 98 29 29 TYR H H 8.949 0.006 1 99 29 29 TYR C C 176.334 0 1 100 29 29 TYR CA C 57.822 0.018 1 101 29 29 TYR CB C 37.803 0 1 102 29 29 TYR N N 114.769 0.085 1 103 30 30 THR H H 6.961 0.003 1 104 30 30 THR C C 173.302 0 1 105 30 30 THR CA C 58.609 0 1 106 30 30 THR CB C 71.296 0 1 107 30 30 THR N N 113.589 0.07 1 108 31 31 TYR H H 8.77 0.003 1 109 31 31 TYR C C 176.106 0 1 110 31 31 TYR CA C 60.184 0.007 1 111 31 31 TYR CB C 37.574 0 1 112 31 31 TYR N N 123.378 0.067 1 113 32 32 ASP H H 8.124 0.004 1 114 32 32 ASP C C 178.451 0 1 115 32 32 ASP CA C 56.894 0.058 1 116 32 32 ASP CB C 40.045 0 1 117 32 32 ASP N N 115.015 0.055 1 118 33 33 ALA H H 7.711 0.003 1 119 33 33 ALA C C 177.928 0 1 120 33 33 ALA CA C 54.455 0 1 121 33 33 ALA N N 122.62 0.095 1 122 34 34 PHE H H 7.028 0.004 1 123 34 34 PHE C C 175.492 0 1 124 34 34 PHE CA C 60.181 0.038 1 125 34 34 PHE CB C 38.042 0 1 126 34 34 PHE N N 119.793 0.09 1 127 35 35 VAL H H 7.877 0.005 1 128 35 35 VAL C C 177.468 0 1 129 35 35 VAL CA C 66.288 0 1 130 35 35 VAL CB C 31.369 0 1 131 35 35 VAL N N 118.192 0.068 1 132 36 36 ALA H H 7.716 0.005 1 133 36 36 ALA C C 180.939 0 1 134 36 36 ALA CA C 54.844 0.075 1 135 36 36 ALA CB C 18.048 0 1 136 36 36 ALA N N 120.622 0.053 1 137 37 37 ALA H H 8.15 0.005 1 138 37 37 ALA C C 178.64 0 1 139 37 37 ALA CA C 54.88 0 1 140 37 37 ALA CB C 21.094 0 1 141 37 37 ALA N N 120.342 0.043 1 142 38 38 ALA H H 8.19 0.004 1 143 38 38 ALA C C 180.034 0 1 144 38 38 ALA CA C 55.018 0 1 145 38 38 ALA CB C 17.448 0 1 146 38 38 ALA N N 120.117 0.076 1 147 39 39 ASN H H 7.917 0.004 1 148 39 39 ASN C C 176.309 0 1 149 39 39 ASN CA C 55 0 1 150 39 39 ASN CB C 37.751 0 1 151 39 39 ASN N N 116.172 0.071 1 152 40 40 ALA H H 7.471 0.003 1 153 40 40 ALA C C 175.682 0 1 154 40 40 ALA CA C 52.35 0 1 155 40 40 ALA CB C 18.381 0 1 156 40 40 ALA N N 119.553 0.083 1 157 41 41 PHE H H 7.734 0.003 1 158 41 41 PHE C C 172.991 0 1 159 41 41 PHE CA C 55.323 0.079 1 160 41 41 PHE CB C 39.825 0 1 161 41 41 PHE N N 117.973 0.092 1 162 43 43 GLY H H 8.833 0.004 1 163 43 43 GLY C C 177.191 0 1 164 43 43 GLY CA C 45.739 0.01 1 165 43 43 GLY N N 104.431 0.089 1 166 44 44 PHE H H 8.469 0.005 1 167 44 44 PHE C C 175.671 0 1 168 44 44 PHE CA C 58.447 0.011 1 169 44 44 PHE CB C 37.858 0 1 170 44 44 PHE N N 125.686 0.079 1 171 45 45 GLY H H 9.235 0.007 1 172 45 45 GLY C C 172.073 0 1 173 45 45 GLY CA C 46.188 0.039 1 174 45 45 GLY N N 118.143 0.089 1 175 46 46 ALA H H 7.439 0.008 1 176 46 46 ALA C C 175.802 0 1 177 46 46 ALA CA C 50.94 0 1 178 46 46 ALA CB C 20.377 0 1 179 46 46 ALA N N 119.991 0.066 1 180 47 47 THR H H 9.122 0.009 1 181 47 47 THR C C 172.611 0 1 182 47 47 THR CA C 62.691 0.018 1 183 47 47 THR CB C 70.967 0 1 184 47 47 THR N N 118.213 0.067 1 185 48 48 GLY H H 8.668 0.005 1 186 48 48 GLY C C 174.717 0 1 187 48 48 GLY CA C 43.291 0 1 188 48 48 GLY N N 112.213 0.068 1 189 49 49 SER H H 8.335 0.005 1 190 49 49 SER C C 173.984 0 1 191 49 49 SER CA C 57.843 0 1 192 49 49 SER CB C 64.955 0 1 193 49 49 SER N N 116.793 0.062 1 194 50 50 THR H H 8.784 0.003 1 195 50 50 THR C C 177.281 0 1 196 50 50 THR CA C 67.62 0 1 197 50 50 THR N N 116.227 0.095 1 198 55 55 ARG H H 8.592 0.002 1 199 55 55 ARG C C 178.27 0 1 200 55 55 ARG CA C 61.528 0.048 1 201 55 55 ARG CB C 31.424 0 1 202 55 55 ARG N N 118.061 0.044 1 203 56 56 ASP H H 8.61 0.005 1 204 56 56 ASP C C 177.63 0 1 205 56 56 ASP CA C 57.476 0 1 206 56 56 ASP CB C 42.153 0 1 207 56 56 ASP N N 121.273 0.061 1 208 57 57 VAL H H 7.145 0.004 1 209 57 57 VAL C C 178.1 0 1 210 57 57 VAL CA C 66.512 0 1 211 57 57 VAL CB C 31.875 0 1 212 57 57 VAL N N 115.582 0.074 1 213 58 58 ALA H H 9.173 0.004 1 214 58 58 ALA C C 180.281 0 1 215 58 58 ALA CA C 56.204 0.001 1 216 58 58 ALA CB C 19.9 0 1 217 58 58 ALA N N 121.348 0.073 1 218 59 59 ALA H H 10.229 0.004 1 219 59 59 ALA C C 178.624 0 1 220 59 59 ALA CA C 56.169 0 1 221 59 59 ALA CB C 18.081 0 1 222 59 59 ALA N N 119.463 0.066 1 223 60 60 PHE H H 8.144 0.004 1 224 60 60 PHE C C 179.707 0 1 225 60 60 PHE CA C 60.63 0 1 226 60 60 PHE CB C 39.083 0 1 227 60 60 PHE N N 122.893 0.088 1 228 61 61 LEU H H 8.828 0.003 1 229 61 61 LEU CA C 57.203 0 1 230 61 61 LEU CB C 41.433 0 1 231 61 61 LEU N N 121.571 0.074 1 232 62 62 ALA H H 9.609 0.004 1 233 62 62 ALA C C 178.462 0 1 234 62 62 ALA CA C 56.22 0.023 1 235 62 62 ALA CB C 19.324 0 1 236 62 62 ALA N N 128.747 0.071 1 237 63 63 GLN H H 8.597 0.006 1 238 63 63 GLN C C 179.197 0 1 239 63 63 GLN CA C 58.821 0 1 240 63 63 GLN CB C 27.476 0 1 241 63 63 GLN N N 115.71 0.058 1 242 64 64 THR H H 7.058 0.005 1 243 64 64 THR C C 177.548 0 1 244 64 64 THR CA C 62.924 0 1 245 64 64 THR CB C 68.712 0 1 246 64 64 THR N N 105.571 0.055 1 247 65 65 SER H H 7.829 0.007 1 248 65 65 SER C C 173.823 0 1 249 65 65 SER CA C 63.368 0.027 1 250 65 65 SER CB C 70.77 0 1 251 65 65 SER N N 120.539 0.078 1 252 66 66 HIS H H 7.473 0.004 1 253 66 66 HIS C C 176.893 0 1 254 66 66 HIS CA C 60.119 0 1 255 66 66 HIS CB C 28.626 0 1 256 66 66 HIS N N 117.492 0.073 1 257 67 67 GLU H H 7.361 0.005 1 258 67 67 GLU C C 176.234 0 1 259 67 67 GLU N N 115.567 0.052 1 260 68 68 THR H H 6.771 0.004 1 261 68 68 THR CA C 59.766 0.049 1 262 68 68 THR CB C 70.121 0 1 263 68 68 THR N N 101.968 0.062 1 264 69 69 THR H H 6.79 0.005 1 265 69 69 THR C C 174.25 0 1 266 69 69 THR CA C 62.087 0.024 1 267 69 69 THR CB C 69.543 0 1 268 69 69 THR N N 117.71 0.046 1 269 70 70 GLY H H 8.92 0.005 1 270 70 70 GLY C C 174.772 0 1 271 70 70 GLY CA C 45.216 0.016 1 272 70 70 GLY N N 114.712 0.082 1 273 71 71 GLY H H 9.211 0.004 1 274 71 71 GLY C C 171.112 0 1 275 71 71 GLY CA C 45.677 0.001 1 276 71 71 GLY N N 108.089 0.095 1 277 72 72 TRP H H 6.194 0.01 1 278 72 72 TRP C C 176.285 0 1 279 72 72 TRP CA C 57.116 0 1 280 72 72 TRP N N 115.881 0.034 1 281 73 73 ALA H H 8.726 0.003 1 282 73 73 ALA C C 178.966 0 1 283 73 73 ALA CA C 56.215 0 1 284 73 73 ALA CB C 18.921 0 1 285 73 73 ALA N N 121.263 0.074 1 286 74 74 THR H H 6.724 0.005 1 287 74 74 THR C C 172.928 0 1 288 74 74 THR CA C 59.178 0.06 1 289 74 74 THR CB C 67.359 0 1 290 74 74 THR N N 103.778 0.092 1 291 75 75 ALA H H 5.99 0.005 1 292 75 75 ALA CA C 51.091 0 1 293 75 75 ALA N N 125.093 0.087 1 294 77 77 ASP H H 8.878 0.004 1 295 77 77 ASP C C 174.753 0 1 296 77 77 ASP CA C 57.276 0.084 1 297 77 77 ASP CB C 40.953 0 1 298 77 77 ASP N N 115.526 0.088 1 299 78 78 GLY H H 8.154 0.004 1 300 78 78 GLY C C 172.726 0 1 301 78 78 GLY CA C 44.34 0.03 1 302 78 78 GLY N N 107.62 0.079 1 303 79 79 ALA H H 8.068 0.004 1 304 79 79 ALA C C 178.092 0 1 305 79 79 ALA CA C 54.643 0.069 1 306 79 79 ALA CB C 17.527 0 1 307 79 79 ALA N N 118.481 0.062 1 308 80 80 PHE H H 7.252 0.003 1 309 80 80 PHE C C 174.867 0 1 310 80 80 PHE CA C 55.667 0 1 311 80 80 PHE CB C 35.738 0 1 312 80 80 PHE N N 115.327 0.039 1 313 81 81 ALA H H 7.207 0.005 1 314 81 81 ALA C C 178.235 0 1 315 81 81 ALA CA C 51.416 0 1 316 81 81 ALA CB C 20.664 0 1 317 81 81 ALA N N 117.538 0.049 1 318 83 83 GLY H H 9.483 0.008 1 319 83 83 GLY C C 171.056 0 1 320 83 83 GLY CA C 45.752 0.018 1 321 83 83 GLY N N 108.478 0.095 1 322 84 84 TYR H H 7.828 0.007 1 323 84 84 TYR C C 173.113 0 1 324 84 84 TYR CB C 32.083 0 1 325 84 84 TYR N N 114.642 0.055 1 326 85 85 CYS H H 8.154 0.004 1 327 85 85 CYS C C 172.896 0 1 328 85 85 CYS CA C 54.05 0 1 329 85 85 CYS CB C 41.246 0 1 330 85 85 CYS N N 113.986 0.042 1 331 86 86 PHE H H 7.419 0.004 1 332 86 86 PHE C C 174.935 0 1 333 86 86 PHE CA C 56.634 0 1 334 86 86 PHE CB C 42.56 0 1 335 86 86 PHE N N 111.693 0.067 1 336 87 87 LYS H H 9.799 0.008 1 337 87 87 LYS C C 174.249 0 1 338 87 87 LYS CA C 55.735 0 1 339 87 87 LYS CB C 35.382 0 1 340 87 87 LYS N N 115.13 0.079 1 341 88 88 GLN H H 8.233 0.006 1 342 88 88 GLN C C 173.252 0 1 343 88 88 GLN CB C 32.54 0 1 344 88 88 GLN N N 120.827 0.07 1 345 89 89 GLU H H 8.458 0.005 1 346 89 89 GLU C C 175.258 0 1 347 89 89 GLU CA C 56.88 0.008 1 348 89 89 GLU CB C 30.856 0 1 349 89 89 GLU N N 124.914 0.084 1 350 90 90 ARG H H 8.43 0.003 1 351 90 90 ARG C C 176.916 0 1 352 90 90 ARG N N 127.236 0.069 1 353 91 91 GLY H H 8.441 0.003 1 354 91 91 GLY C C 173.916 0 1 355 91 91 GLY CA C 45.439 0.041 1 356 91 91 GLY N N 110.346 0.084 1 357 92 92 ALA H H 7.707 0.003 1 358 92 92 ALA C C 177.264 0 1 359 92 92 ALA CA C 52.575 0.053 1 360 92 92 ALA CB C 18.159 0 1 361 92 92 ALA N N 122.907 0.059 1 362 93 93 ALA H H 8.324 0.003 1 363 93 93 ALA C C 176.394 0 1 364 93 93 ALA CA C 52.488 0 1 365 93 93 ALA CB C 19.228 0 1 366 93 93 ALA N N 124.798 0.06 1 367 94 94 ALA H H 7.653 0.004 1 368 94 94 ALA C C 176.074 0 1 369 94 94 ALA CA C 51.339 0 1 370 94 94 ALA CB C 19.79 0 1 371 94 94 ALA N N 121.957 0.068 1 372 95 95 ASP H H 8.311 0.003 1 373 95 95 ASP C C 177.287 0 1 374 95 95 ASP CA C 55.478 0.042 1 375 95 95 ASP CB C 40.876 0 1 376 95 95 ASP N N 115.2 0.068 1 377 96 96 TYR H H 8.285 0.006 1 378 96 96 TYR C C 173.97 0 1 379 96 96 TYR CA C 59.057 0 1 380 96 96 TYR CB C 36.662 0 1 381 96 96 TYR N N 116.536 0.095 1 382 97 97 CYS H H 8.232 0.004 1 383 97 97 CYS C C 175.379 0 1 384 97 97 CYS CA C 55.136 0 1 385 97 97 CYS CB C 42.237 0 1 386 97 97 CYS N N 116.567 0.056 1 387 98 98 THR H H 9.628 0.004 1 388 98 98 THR C C 172.013 0 1 389 98 98 THR CA C 59.805 0.019 1 390 98 98 THR CB C 71.085 0 1 391 98 98 THR N N 131.021 0.091 1 392 100 100 SER H H 7.761 0.003 1 393 100 100 SER C C 174.019 0 1 394 100 100 SER CA C 56.812 0 1 395 100 100 SER CB C 64.802 0 1 396 100 100 SER N N 117.145 0.095 1 397 101 101 ALA H H 8.707 0.004 1 398 101 101 ALA C C 178.623 0 1 399 101 101 ALA CA C 53.623 0 1 400 101 101 ALA CB C 18.227 0 1 401 101 101 ALA N N 128.688 0.06 1 402 102 102 GLN H H 7.68 0.003 1 403 102 102 GLN C C 175.057 0 1 404 102 102 GLN CA C 57.644 0.037 1 405 102 102 GLN CB C 28.947 0 1 406 102 102 GLN N N 116.481 0.075 1 407 103 103 TRP H H 7.389 0.003 1 408 103 103 TRP C C 170.884 0 1 409 103 103 TRP CA C 50.962 0.046 1 410 103 103 TRP N N 116.464 0.054 1 411 108 108 GLY H H 9.035 0.003 1 412 108 108 GLY C C 173.972 0 1 413 108 108 GLY CA C 45.615 0.005 1 414 108 108 GLY N N 112.396 0.086 1 415 109 109 LYS H H 7.405 0.003 1 416 109 109 LYS C C 175.926 0 1 417 109 109 LYS CA C 52.668 0.046 1 418 109 109 LYS CB C 32.065 0 1 419 109 109 LYS N N 117.568 0.05 1 420 110 110 ARG H H 8.205 0.003 1 421 110 110 ARG CA C 54.371 0.068 1 422 110 110 ARG CB C 34.505 0 1 423 110 110 ARG N N 117.156 0.061 1 424 111 111 TYR H H 8.953 0.004 1 425 111 111 TYR C C 173.585 0 1 426 111 111 TYR CA C 56.983 0 1 427 111 111 TYR CB C 35.987 0 1 428 111 111 TYR N N 123.909 0.087 1 429 113 113 GLY H H 8.971 0.005 1 430 113 113 GLY C C 174.919 0 1 431 113 113 GLY CA C 46.517 0.062 1 432 113 113 GLY N N 105.387 0.094 1 433 114 114 ARG H H 7.599 0.005 1 434 114 114 ARG C C 177.199 0 1 435 114 114 ARG CA C 55.036 0 1 436 114 114 ARG CB C 37.546 0 1 437 114 114 ARG N N 119.127 0.064 1 438 115 115 GLY H H 8.804 0.003 1 439 115 115 GLY C C 172.742 0 1 440 115 115 GLY CA C 46.352 0 1 441 115 115 GLY N N 107.945 0.065 1 442 117 117 ILE H H 7.486 0.005 1 443 117 117 ILE C C 173.958 0 1 444 117 117 ILE CA C 53.757 0.009 1 445 117 117 ILE CB C 43.587 0 1 446 117 117 ILE N N 108.281 0.087 1 447 118 118 GLN H H 7.715 0.004 1 448 118 118 GLN C C 174.353 0 1 449 118 118 GLN CA C 55.316 0 1 450 118 118 GLN CB C 26.508 0 1 451 118 118 GLN N N 118.488 0.076 1 452 119 119 LEU H H 6.713 0.006 1 453 119 119 LEU C C 175.154 0 1 454 119 119 LEU CA C 55.845 0 1 455 119 119 LEU CB C 43.213 0 1 456 119 119 LEU N N 121.247 0.079 1 457 120 120 SER H H 8.636 0.004 1 458 120 120 SER C C 174.364 0 1 459 120 120 SER CA C 57.591 0 1 460 120 120 SER CB C 66.747 0 1 461 120 120 SER N N 119.872 0.07 1 462 121 121 HIS H H 8.825 0.004 1 463 121 121 HIS C C 177.135 0 1 464 121 121 HIS CA C 58.784 0.061 1 465 121 121 HIS CB C 26.724 0 1 466 121 121 HIS N N 107.956 0.073 1 467 122 122 ASN H H 9.391 0.003 1 468 122 122 ASN C C 174.63 0 1 469 122 122 ASN CA C 58.195 0.033 1 470 122 122 ASN CB C 35.58 0 1 471 122 122 ASN N N 124.041 0.081 1 472 123 123 TYR H H 6.218 0.007 1 473 123 123 TYR C C 172.723 0 1 474 123 123 TYR CA C 57.156 0 1 475 123 123 TYR CB C 36.324 0 1 476 123 123 TYR N N 109.865 0.089 1 477 124 124 ASN H H 7.068 0.005 1 478 124 124 ASN C C 175.044 0 1 479 124 124 ASN CA C 54.518 0.031 1 480 124 124 ASN CB C 39.111 0 1 481 124 124 ASN N N 117.074 0.097 1 482 125 125 TYR H H 7.737 0.011 1 483 125 125 TYR C C 177.287 0 1 484 125 125 TYR CA C 62.91 0 1 485 125 125 TYR CB C 37.961 0 1 486 125 125 TYR N N 119.372 0.076 1 487 126 126 GLY H H 7.78 0.004 1 488 126 126 GLY C C 171.707 0 1 489 126 126 GLY CA C 47.828 0 1 490 126 126 GLY N N 101.271 0.083 1 491 128 128 ALA H H 6.519 0.002 1 492 128 128 ALA CA C 54.476 0 1 493 128 128 ALA CB C 17.875 0 1 494 128 128 ALA N N 121.499 0.085 1 495 129 129 GLY H H 7.734 0.004 1 496 129 129 GLY C C 177.083 0 1 497 129 129 GLY CA C 47.946 0 1 498 129 129 GLY N N 104.074 0.074 1 499 130 130 ARG H H 7.761 0.005 1 500 130 130 ARG C C 178.829 0 1 501 130 130 ARG CA C 58.413 0 1 502 130 130 ARG CB C 29.526 0 1 503 130 130 ARG N N 121.747 0.046 1 504 131 131 ALA H H 7.569 0.003 1 505 131 131 ALA C C 179.597 0 1 506 131 131 ALA CA C 54.694 0.077 1 507 131 131 ALA CB C 19.459 0 1 508 131 131 ALA N N 119.286 0.059 1 509 132 132 ILE H H 7.603 0.003 1 510 132 132 ILE C C 176.189 0 1 511 132 132 ILE CA C 61.121 0.071 1 512 132 132 ILE CB C 39.105 0 1 513 132 132 ILE N N 109.157 0.081 1 514 133 133 GLY H H 7.976 0.004 1 515 133 133 GLY C C 174.096 0 1 516 133 133 GLY CA C 46.308 0 1 517 133 133 GLY N N 111.797 0.082 1 518 134 134 VAL H H 8.082 0.004 1 519 134 134 VAL C C 173.805 0 1 520 134 134 VAL CA C 60.441 0.005 1 521 134 134 VAL CB C 35.898 0 1 522 134 134 VAL N N 118.378 0.083 1 523 135 135 ASP H H 8.56 0.003 1 524 135 135 ASP C C 176.408 0 1 525 135 135 ASP CA C 52.907 0.057 1 526 135 135 ASP CB C 39.08 0 1 527 135 135 ASP N N 123.749 0.058 1 528 136 136 LEU H H 8.081 0.006 1 529 136 136 LEU C C 179.288 0 1 530 136 136 LEU CA C 54.452 0.025 1 531 136 136 LEU CB C 42.142 0 1 532 136 136 LEU N N 126.415 0.066 1 533 141 141 ASP H H 7.534 0.004 1 534 141 141 ASP C C 177.189 0 1 535 141 141 ASP CA C 57.108 0.092 1 536 141 141 ASP CB C 41.048 0 1 537 141 141 ASP N N 114.956 0.066 1 538 142 142 LEU H H 7.437 0.003 1 539 142 142 LEU C C 178.494 0 1 540 142 142 LEU CA C 57.251 0 1 541 142 142 LEU CB C 43.272 0 1 542 142 142 LEU N N 120.727 0.055 1 543 143 143 VAL H H 7.608 0.003 1 544 143 143 VAL C C 174.678 0 1 545 143 143 VAL CA C 65.345 0 1 546 143 143 VAL CB C 31.519 0 1 547 143 143 VAL N N 114.173 0.042 1 548 144 144 ALA H H 7.929 0.003 1 549 144 144 ALA C C 175.182 0 1 550 144 144 ALA CA C 51.311 0.044 1 551 144 144 ALA CB C 20.335 0 1 552 144 144 ALA N N 117.9 0.084 1 553 145 145 THR H H 7.548 0.004 1 554 145 145 THR C C 174.364 0 1 555 145 145 THR CA C 62.841 0 1 556 145 145 THR CB C 70.397 0 1 557 145 145 THR N N 107.437 0.081 1 558 146 146 ASP H H 8.335 0.005 1 559 146 146 ASP CA C 50.452 0.005 1 560 146 146 ASP CB C 43.072 0 1 561 146 146 ASP N N 125.974 0.074 1 562 150 150 SER H H 8.903 0.002 1 563 150 150 SER CA C 64.85 0 1 564 150 150 SER CB C 66.445 0 1 565 150 150 SER N N 115.058 0.073 1 566 151 151 PHE H H 8.612 0.005 1 567 151 151 PHE C C 178.676 0 1 568 151 151 PHE CA C 64.481 0.029 1 569 151 151 PHE CB C 40.391 0 1 570 151 151 PHE N N 117.149 0.088 1 571 152 152 LYS H H 9.054 0.004 1 572 152 152 LYS C C 179.002 0 1 573 152 152 LYS CA C 61.935 0.042 1 574 152 152 LYS CB C 33.847 0 1 575 152 152 LYS N N 119.538 0.066 1 576 153 153 THR H H 8.607 0.002 1 577 153 153 THR C C 175.215 0 1 578 153 153 THR CA C 66.451 0.016 1 579 153 153 THR CB C 69.727 0 1 580 153 153 THR N N 108.545 0.091 1 581 154 154 ALA H H 7.162 0.005 1 582 154 154 ALA C C 179.038 0 1 583 154 154 ALA CA C 54.309 0.031 1 584 154 154 ALA CB C 19.899 0 1 585 154 154 ALA N N 124.179 0.07 1 586 155 155 LEU H H 8.483 0.005 1 587 155 155 LEU C C 177.488 0 1 588 155 155 LEU CA C 57.176 0 1 589 155 155 LEU CB C 41.912 0 1 590 155 155 LEU N N 122.001 0.079 1 591 156 156 TRP H H 8.662 0.003 1 592 156 156 TRP C C 178.326 0 1 593 156 156 TRP CA C 62.496 0.01 1 594 156 156 TRP CB C 26.782 0 1 595 156 156 TRP N N 121.23 0.063 1 596 157 157 PHE H H 7.762 0.004 1 597 157 157 PHE C C 177.582 0 1 598 157 157 PHE CA C 61.294 0.078 1 599 157 157 PHE CB C 39.241 0 1 600 157 157 PHE N N 120.082 0.053 1 601 158 158 TRP H H 8.391 0.004 1 602 158 158 TRP C C 174.875 0 1 603 158 158 TRP CA C 59.844 0 1 604 158 158 TRP CB C 32.082 0 1 605 158 158 TRP N N 121.294 0.071 1 606 159 159 MET H H 7.625 0.003 1 607 159 159 MET C C 177.29 0 1 608 159 159 MET CA C 53.358 0 1 609 159 159 MET CB C 31.633 0 1 610 159 159 MET N N 108.475 0.064 1 611 160 160 THR H H 6.849 0.003 1 612 160 160 THR C C 172.947 0 1 613 160 160 THR CA C 62.829 0.015 1 614 160 160 THR CB C 69.17 0 1 615 160 160 THR N N 118.339 0.075 1 616 161 161 ALA H H 8.701 0.004 1 617 161 161 ALA C C 176.11 0 1 618 161 161 ALA CA C 51.984 0.038 1 619 161 161 ALA CB C 18.83 0 1 620 161 161 ALA N N 131.695 0.077 1 621 162 162 GLN H H 8.078 0.004 1 622 162 162 GLN C C 174.13 0 1 623 162 162 GLN CA C 53.903 0 1 624 162 162 GLN CB C 28.235 0 1 625 162 162 GLN N N 124.25 0.061 1 626 163 163 ALA H H 8.285 0.003 1 627 163 163 ALA C C 176.017 0 1 628 163 163 ALA CA C 52.082 0.032 1 629 163 163 ALA CB C 17.076 0 1 630 163 163 ALA N N 127.587 0.068 1 631 167 167 SER H H 8.122 0.004 1 632 167 167 SER C C 174.272 0 1 633 167 167 SER CA C 57.166 0.091 1 634 167 167 SER CB C 64.314 0 1 635 167 167 SER N N 112.511 0.076 1 636 168 168 SER H H 8.528 0.004 1 637 168 168 SER CA C 63.431 0 1 638 168 168 SER N N 121.293 0.046 1 639 169 169 HIS H H 7.071 0.004 1 640 169 169 HIS C C 176.937 0 1 641 169 169 HIS CA C 57.882 0.024 1 642 169 169 HIS CB C 30.906 0 1 643 169 169 HIS N N 116.163 0.099 1 644 170 170 ALA H H 8.227 0.003 1 645 170 170 ALA C C 179.015 0 1 646 170 170 ALA CA C 55.007 0 1 647 170 170 ALA CB C 18.236 0 1 648 170 170 ALA N N 123.248 0.059 1 649 171 171 VAL H H 7.216 0.006 1 650 171 171 VAL C C 179.785 0 1 651 171 171 VAL CA C 66.501 0.057 1 652 171 171 VAL CB C 31.464 0 1 653 171 171 VAL N N 114.798 0.044 1 654 172 172 ILE H H 7.673 0.003 1 655 172 172 ILE C C 174.507 0 1 656 172 172 ILE CA C 59.181 0 1 657 172 172 ILE CB C 39.686 0 1 658 172 172 ILE N N 118.876 0.07 1 659 173 173 THR H H 7.204 0.004 1 660 173 173 THR C C 175.009 0 1 661 173 173 THR CA C 61.675 0.079 1 662 173 173 THR CB C 69.53 0 1 663 173 173 THR N N 107.176 0.088 1 664 174 174 GLY H H 7.433 0.004 1 665 174 174 GLY C C 174.939 0 1 666 174 174 GLY CA C 46.179 0 1 667 174 174 GLY N N 107.961 0.087 1 668 175 175 LYS H H 7.977 0.005 1 669 175 175 LYS C C 175.924 0 1 670 175 175 LYS CA C 55.264 0.063 1 671 175 175 LYS CB C 31.745 0 1 672 175 175 LYS N N 118.684 0.068 1 673 176 176 TRP H H 7.687 0.004 1 674 176 176 TRP C C 174.351 0 1 675 176 176 TRP CA C 56.738 0 1 676 176 176 TRP CB C 29.597 0 1 677 176 176 TRP N N 121.03 0.05 1 678 177 177 SER H H 7.956 0.004 1 679 177 177 SER C C 170.449 0 1 680 177 177 SER CA C 53.871 0.064 1 681 177 177 SER CB C 63.681 0 1 682 177 177 SER N N 125.36 0.066 1 683 179 179 SER H H 9.895 0.003 1 684 179 179 SER C C 175.648 0 1 685 179 179 SER CA C 57.204 0.077 1 686 179 179 SER CB C 66.088 0 1 687 179 179 SER N N 121.761 0.097 1 688 180 180 GLY H H 9.08 0.004 1 689 180 180 GLY C C 176.906 0 1 690 180 180 GLY CA C 47.649 0 1 691 180 180 GLY N N 108.975 0.066 1 692 181 181 ALA H H 8.268 0.004 1 693 181 181 ALA C C 180.913 0 1 694 181 181 ALA CA C 54.65 0 1 695 181 181 ALA CB C 18.005 0 1 696 181 181 ALA N N 125.393 0.058 1 697 182 182 ASP H H 7.756 0.004 1 698 182 182 ASP C C 177.952 0 1 699 182 182 ASP CA C 58.196 0 1 700 182 182 ASP CB C 41.406 0 1 701 182 182 ASP N N 119.291 0.055 1 702 183 183 ARG H H 8.315 0.003 1 703 183 183 ARG C C 180.821 0 1 704 183 183 ARG CA C 59.393 0.05 1 705 183 183 ARG CB C 29.549 0 1 706 183 183 ARG N N 119.945 0.046 1 707 184 184 ALA H H 7.979 0.003 1 708 184 184 ALA C C 178.139 0 1 709 184 184 ALA CA C 54.511 0.061 1 710 184 184 ALA CB C 17.643 0 1 711 184 184 ALA N N 123.048 0.063 1 712 185 185 ALA H H 7.267 0.005 1 713 185 185 ALA C C 176.048 0 1 714 185 185 ALA CA C 51.463 0.003 1 715 185 185 ALA CB C 19.893 0 1 716 185 185 ALA N N 118.141 0.053 1 717 186 186 GLY H H 7.611 0.003 1 718 186 186 GLY C C 174.77 0 1 719 186 186 GLY CA C 45.827 0 1 720 186 186 GLY N N 105.83 0.09 1 721 187 187 ARG H H 8.098 0.006 1 722 187 187 ARG C C 172.606 0 1 723 187 187 ARG CA C 56.665 0.052 1 724 187 187 ARG CB C 30.274 0 1 725 187 187 ARG N N 119.642 0.079 1 726 188 188 ALA H H 6.986 0.003 1 727 188 188 ALA C C 174.449 0 1 728 188 188 ALA CA C 49.054 0.018 1 729 188 188 ALA CB C 19.475 0 1 730 188 188 ALA N N 126.316 0.087 1 731 196 196 ASN H H 7.608 0.005 1 732 196 196 ASN C C 177.972 0 1 733 196 196 ASN CA C 54.673 0 1 734 196 196 ASN CB C 39.285 0 1 735 196 196 ASN N N 120.318 0.089 1 736 197 197 ILE H H 8.781 0.003 1 737 197 197 ILE C C 177.754 0 1 738 197 197 ILE CA C 66.579 0.038 1 739 197 197 ILE CB C 38.44 0 1 740 197 197 ILE N N 122.874 0.061 1 741 198 198 ILE H H 8.007 0.004 1 742 198 198 ILE C C 176.921 0 1 743 198 198 ILE CA C 65.996 0 1 744 198 198 ILE CB C 38.642 0 1 745 198 198 ILE N N 118.943 0.062 1 746 199 199 ASN H H 8.649 0.004 1 747 199 199 ASN C C 177.223 0 1 748 199 199 ASN CA C 52.24 0 1 749 199 199 ASN CB C 40.184 0 1 750 199 199 ASN N N 115.751 0.087 1 751 200 200 GLY H H 8.786 0.005 1 752 200 200 GLY C C 174.884 0 1 753 200 200 GLY CA C 49.013 0.033 1 754 200 200 GLY N N 110.787 0.068 1 755 201 201 GLY H H 8.68 0.005 1 756 201 201 GLY C C 175.704 0 1 757 201 201 GLY CA C 47.222 0.056 1 758 201 201 GLY N N 107.054 0.085 1 759 202 202 LEU H H 7.223 0.004 1 760 202 202 LEU C C 178.835 0 1 761 202 202 LEU CA C 55.69 0 1 762 202 202 LEU CB C 43.983 0 1 763 202 202 LEU N N 117.837 0.061 1 764 203 203 GLU H H 7.686 0.003 1 765 203 203 GLU C C 176.288 0 1 766 203 203 GLU CA C 59.617 0.036 1 767 203 203 GLU CB C 32.059 0 1 768 203 203 GLU N N 116.165 0.072 1 769 204 204 CYS H H 8.283 0.005 1 770 204 204 CYS C C 174.916 0 1 771 204 204 CYS CA C 52.735 0.04 1 772 204 204 CYS CB C 37.828 0 1 773 204 204 CYS N N 112.955 0.074 1 774 205 205 GLY H H 8.048 0.005 1 775 205 205 GLY C C 175.65 0 1 776 205 205 GLY CA C 47.884 0 1 777 205 205 GLY N N 108.905 0.096 1 778 206 206 HIS H H 9.174 0.004 1 779 206 206 HIS C C 174.578 0 1 780 206 206 HIS CA C 53.84 0.021 1 781 206 206 HIS CB C 28.592 0 1 782 206 206 HIS N N 116.959 0.05 1 783 207 207 GLY H H 8.371 0.004 1 784 207 207 GLY C C 172.603 0 1 785 207 207 GLY CA C 43.926 0.025 1 786 207 207 GLY N N 109.431 0.088 1 787 208 208 GLN H H 8.049 0.004 1 788 208 208 GLN C C 174.823 0 1 789 208 208 GLN CA C 57.517 0 1 790 208 208 GLN N N 118.203 0.092 1 791 209 209 ASP H H 6.789 0.004 1 792 209 209 ASP C C 176.196 0 1 793 209 209 ASP CA C 54.005 0.011 1 794 209 209 ASP CB C 45.99 0 1 795 209 209 ASP N N 122.058 0.079 1 796 210 210 SER H H 9.399 0.002 1 797 210 210 SER CA C 61.469 0.089 1 798 210 210 SER CB C 62.678 0 1 799 210 210 SER N N 124.639 0.055 1 800 211 211 ARG H H 8.87 0.005 1 801 211 211 ARG C C 177.725 0 1 802 211 211 ARG CA C 59.36 0 1 803 211 211 ARG CB C 29.286 0 1 804 211 211 ARG N N 125.592 0.065 1 805 212 212 VAL H H 7.101 0.005 1 806 212 212 VAL C C 178.632 0 1 807 212 212 VAL CA C 65.987 0 1 808 212 212 VAL CB C 32.089 0 1 809 212 212 VAL N N 119.776 0.065 1 810 213 213 ALA H H 8.008 0.003 1 811 213 213 ALA C C 180.032 0 1 812 213 213 ALA CA C 55.129 0 1 813 213 213 ALA CB C 17.911 0 1 814 213 213 ALA N N 120.162 0.088 1 815 214 214 ASP H H 7.925 0.003 1 816 214 214 ASP C C 176.584 0 1 817 214 214 ASP CA C 57.707 0.07 1 818 214 214 ASP CB C 42.33 0 1 819 214 214 ASP N N 121.331 0.076 1 820 215 215 ARG H H 7.391 0.005 1 821 215 215 ARG C C 178.37 0 1 822 215 215 ARG CA C 60.918 0.018 1 823 215 215 ARG CB C 30.182 0 1 824 215 215 ARG N N 116.233 0.089 1 825 216 216 ILE H H 7.825 0.002 1 826 216 216 ILE CA C 65.633 0.019 1 827 216 216 ILE N N 115.951 0.093 1 828 217 217 GLY H H 7.888 0.003 1 829 217 217 GLY C C 177.617 0 1 830 217 217 GLY CA C 45.63 0.016 1 831 217 217 GLY N N 108.743 0.081 1 832 218 218 PHE H H 7.221 0.004 1 833 218 218 PHE C C 175.369 0 1 834 218 218 PHE CA C 62.553 0 1 835 218 218 PHE CB C 40.384 0 1 836 218 218 PHE N N 118.638 0.044 1 837 219 219 TYR H H 7.46 0.004 1 838 219 219 TYR C C 177.1 0 1 839 219 219 TYR CA C 61.156 0 1 840 219 219 TYR CB C 38.67 0 1 841 219 219 TYR N N 118.889 0.081 1 842 220 220 LYS H H 8.677 0.003 1 843 220 220 LYS C C 177.574 0 1 844 220 220 LYS CA C 59.81 0.028 1 845 220 220 LYS CB C 32.265 0 1 846 220 220 LYS N N 117.925 0.065 1 847 221 221 ARG H H 6.938 0.003 1 848 221 221 ARG C C 178.565 0 1 849 221 221 ARG CA C 59.741 0.029 1 850 221 221 ARG CB C 28.74 0 1 851 221 221 ARG N N 117.394 0.082 1 852 222 222 TYR H H 8.597 0.004 1 853 222 222 TYR C C 178.649 0 1 854 222 222 TYR CA C 57.504 0 1 855 222 222 TYR CB C 35.838 0 1 856 222 222 TYR N N 118.384 0.072 1 857 223 223 CYS H H 8.785 0.004 1 858 223 223 CYS C C 177.612 0 1 859 223 223 CYS CA C 65.4 0.062 1 860 223 223 CYS CB C 26.311 0 1 861 223 223 CYS N N 120.214 0.074 1 862 224 224 ASP H H 8.516 0.002 1 863 224 224 ASP C C 179.57 0 1 864 224 224 ASP CA C 57.32 0 1 865 224 224 ASP CB C 38.982 0 1 866 224 224 ASP N N 120.839 0.087 1 867 225 225 ILE H H 7.832 0.003 1 868 225 225 ILE C C 177.389 0 1 869 225 225 ILE CA C 65.612 0 1 870 225 225 ILE CB C 38.498 0 1 871 225 225 ILE N N 121.664 0.075 1 872 226 226 LEU H H 7.834 0.005 1 873 226 226 LEU C C 176.946 0 1 874 226 226 LEU CA C 55.525 0.007 1 875 226 226 LEU CB C 42.16 0 1 876 226 226 LEU N N 116.636 0.077 1 877 227 227 GLY H H 8.15 0.004 1 878 227 227 GLY C C 173.266 0 1 879 227 227 GLY CA C 46.762 0.027 1 880 227 227 GLY N N 110.926 0.071 1 881 228 228 VAL H H 8.023 0.005 1 882 228 228 VAL C C 172.871 0 1 883 228 228 VAL CA C 58.956 0 1 884 228 228 VAL CB C 36.254 0 1 885 228 228 VAL N N 120.666 0.046 1 886 229 229 GLY H H 8.206 0.004 1 887 229 229 GLY C C 174.71 0 1 888 229 229 GLY CA C 44.5 0.006 1 889 229 229 GLY N N 113.379 0.076 1 890 230 230 TYR H H 7.286 0.004 1 891 230 230 TYR C C 179.955 0 1 892 230 230 TYR CA C 57.02 0.035 1 893 230 230 TYR CB C 38.853 0 1 894 230 230 TYR N N 118.767 0.045 1 895 231 231 GLY H H 8.639 0.004 1 896 231 231 GLY C C 171.699 0 1 897 231 231 GLY CA C 43.392 0.004 1 898 231 231 GLY N N 107.987 0.077 1 899 232 232 ASP H H 8.257 0.004 1 900 232 232 ASP C C 176.826 0 1 901 232 232 ASP CA C 53.166 0.045 1 902 232 232 ASP CB C 43.997 0 1 903 232 232 ASP N N 116.999 0.049 1 904 233 233 ASN H H 9.089 0.004 1 905 233 233 ASN C C 176.872 0 1 906 233 233 ASN CA C 54.009 0 1 907 233 233 ASN CB C 36.852 0 1 908 233 233 ASN N N 114.854 0.069 1 909 234 234 LEU H H 9.023 0.003 1 910 234 234 LEU C C 175.296 0 1 911 234 234 LEU CA C 57.952 0.007 1 912 234 234 LEU CB C 42.12 0 1 913 234 234 LEU N N 117.392 0.077 1 914 235 235 ASP H H 7.387 0.004 1 915 235 235 ASP C C 173.19 0 1 916 235 235 ASP CA C 51.614 0.005 1 917 235 235 ASP CB C 44.079 0 1 918 235 235 ASP N N 111.429 0.074 1 stop_ save_