data_5547 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Streptopain ; _BMRB_accession_number 5547 _BMRB_flat_file_name bmr5547.str _Entry_type original _Submission_date 2002-10-07 _Accession_date 2002-10-07 _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 Chuang Woei-Jer . . 2 Luo Shih-Chi . . 3 Chen Chiu-Yueh . . 4 Lin Yee-Shin . . 5 Jeng Wen-Yih . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 512 "13C chemical shifts" 462 "15N chemical shifts" 235 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-02-18 original author . stop_ _Original_release_date 2003-02-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Backbone 1H, 15N and 13C resonance assignments of the 28 kDa mature form of streptopain* ; _Citation_status published _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 Luo Shih-Chi . . 2 Chen Chiu-Yueh . . 3 Lin Yee-Shin . . 4 Jeng Wen-Yih . . 5 Chuang Woei-Jer . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 25 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 165 _Page_last 166 _Year 2003 _Details . loop_ _Keyword 'resonance assignment' 'streptococcal cysteine protease' streptopain stop_ save_ ################################## # Molecular system description # ################################## save_system_SpeB_SPE_B_or_streptopain _Saveframe_category molecular_system _Mol_system_name 'streptococcal pyrogenic exotoxin B' _Abbreviation_common 'SpeB, SPE B or streptopain' _Enzyme_commission_number 3.4.22.10 loop_ _Mol_system_component_name _Mol_label streptopain $streptopain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'extracellular cysteine protease' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_streptopain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'streptococcal pyrogenic exotoxin B' _Abbreviation_common 'Speb or SPE B' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 253 _Mol_residue_sequence ; QPVVKSLLDSKGIHYNQGNP YNLLTPVIEKVKPGEQSFVG QHAATGSVATATAQIMKYHN YPNKGLKDYTYTLSSNNPYF NHPKNLFAAISTRQYNWNNI LPTYSGRESNVQKMAISELM ADVGISVDMDYGPSSGSAGS SRVQRALKENFGYNQSVHQI NRGDFSKQDWEAQIDKELSQ NQPVYYQGVGKVGGHAFVID GADGRNFYHVNWGWGGVSDG FFRLDALNPSALGTGGGAGG FNGYQSAVVGIKP ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 PRO 3 VAL 4 VAL 5 LYS 6 SER 7 LEU 8 LEU 9 ASP 10 SER 11 LYS 12 GLY 13 ILE 14 HIS 15 TYR 16 ASN 17 GLN 18 GLY 19 ASN 20 PRO 21 TYR 22 ASN 23 LEU 24 LEU 25 THR 26 PRO 27 VAL 28 ILE 29 GLU 30 LYS 31 VAL 32 LYS 33 PRO 34 GLY 35 GLU 36 GLN 37 SER 38 PHE 39 VAL 40 GLY 41 GLN 42 HIS 43 ALA 44 ALA 45 THR 46 GLY 47 SER 48 VAL 49 ALA 50 THR 51 ALA 52 THR 53 ALA 54 GLN 55 ILE 56 MET 57 LYS 58 TYR 59 HIS 60 ASN 61 TYR 62 PRO 63 ASN 64 LYS 65 GLY 66 LEU 67 LYS 68 ASP 69 TYR 70 THR 71 TYR 72 THR 73 LEU 74 SER 75 SER 76 ASN 77 ASN 78 PRO 79 TYR 80 PHE 81 ASN 82 HIS 83 PRO 84 LYS 85 ASN 86 LEU 87 PHE 88 ALA 89 ALA 90 ILE 91 SER 92 THR 93 ARG 94 GLN 95 TYR 96 ASN 97 TRP 98 ASN 99 ASN 100 ILE 101 LEU 102 PRO 103 THR 104 TYR 105 SER 106 GLY 107 ARG 108 GLU 109 SER 110 ASN 111 VAL 112 GLN 113 LYS 114 MET 115 ALA 116 ILE 117 SER 118 GLU 119 LEU 120 MET 121 ALA 122 ASP 123 VAL 124 GLY 125 ILE 126 SER 127 VAL 128 ASP 129 MET 130 ASP 131 TYR 132 GLY 133 PRO 134 SER 135 SER 136 GLY 137 SER 138 ALA 139 GLY 140 SER 141 SER 142 ARG 143 VAL 144 GLN 145 ARG 146 ALA 147 LEU 148 LYS 149 GLU 150 ASN 151 PHE 152 GLY 153 TYR 154 ASN 155 GLN 156 SER 157 VAL 158 HIS 159 GLN 160 ILE 161 ASN 162 ARG 163 GLY 164 ASP 165 PHE 166 SER 167 LYS 168 GLN 169 ASP 170 TRP 171 GLU 172 ALA 173 GLN 174 ILE 175 ASP 176 LYS 177 GLU 178 LEU 179 SER 180 GLN 181 ASN 182 GLN 183 PRO 184 VAL 185 TYR 186 TYR 187 GLN 188 GLY 189 VAL 190 GLY 191 LYS 192 VAL 193 GLY 194 GLY 195 HIS 196 ALA 197 PHE 198 VAL 199 ILE 200 ASP 201 GLY 202 ALA 203 ASP 204 GLY 205 ARG 206 ASN 207 PHE 208 TYR 209 HIS 210 VAL 211 ASN 212 TRP 213 GLY 214 TRP 215 GLY 216 GLY 217 VAL 218 SER 219 ASP 220 GLY 221 PHE 222 PHE 223 ARG 224 LEU 225 ASP 226 ALA 227 LEU 228 ASN 229 PRO 230 SER 231 ALA 232 LEU 233 GLY 234 THR 235 GLY 236 GLY 237 GLY 238 ALA 239 GLY 240 GLY 241 PHE 242 ASN 243 GLY 244 TYR 245 GLN 246 SER 247 ALA 248 VAL 249 VAL 250 GLY 251 ILE 252 LYS 253 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1DKI "Crystal Structure Of The Zymogen Form Of Streptococcal Pyrogenic Exotoxin B Active Site (C47s) Mutant" 100.00 371 100.00 100.00 0.00e+00 PDB 1PVJ "Crystal Structure Of The Streptococcal Pyrogenic Exotoxin B (Speb)- Inhibitor Complex" 100.00 368 99.21 99.21 0.00e+00 PDB 2JTC "3d Structure And Backbone Dynamics Of Spe B" 100.00 253 100.00 100.00 0.00e+00 PDB 2UZJ "Crystal Structure Of The Mature Streptococcal Cysteine Protease, Mspeb" 100.00 253 99.21 99.21 0.00e+00 PDB 4D8B "High Resolution Structure Of Monomeric S. Progenies Speb Reveals Role Of Glycine-Rich Active Site Loop" 100.00 261 98.81 99.21 0.00e+00 PDB 4D8E "High Resolution Structures Of Monomeric S. Pyogenes Speb Reveals Role Of Glycine-Rich Active Site Loop" 100.00 261 98.81 99.21 0.00e+00 PDB 4D8I "High Resolution Structures Of Monomeric S. Pyogenes Speb Reveals Role Of Glycine-rich Active Site Loop" 100.00 261 98.81 99.21 0.00e+00 DBJ BAB16027 "exotoxin B [Streptococcus pyogenes]" 100.00 398 98.81 99.21 0.00e+00 DBJ BAB40954 "pyrogenic exotoxin B [Streptococcus pyogenes]" 100.00 398 98.81 99.21 0.00e+00 DBJ BAC64834 "SpeB precursor [Streptococcus pyogenes SSI-1]" 100.00 398 99.21 99.21 0.00e+00 DBJ BAM31095 "exotoxin B [Streptococcus pyogenes M1 476]" 100.00 398 99.60 99.60 0.00e+00 EMBL CAM31018 "Streptopain precursor [Streptococcus pyogenes str. Manfredo]" 100.00 398 99.21 99.21 0.00e+00 EMBL CCG26933 "Strepotococcal cysteine protease (Streptopain) / Streptococcal pyrogenic exotoxin B (SpeB) [Streptococcus pyogenes NS88.2]" 100.00 398 99.21 99.21 0.00e+00 GB AAA26978 "pyrogenic exotoxin type B [Streptococcus pyogenes]" 100.00 398 99.21 99.21 0.00e+00 GB AAA26979 "pyrogenic exotoxin B [Streptococcus pyogenes]" 100.00 398 99.21 99.21 0.00e+00 GB AAA26980 "pyrogenic exotoxin B [Streptococcus pyogenes]" 100.00 398 99.21 99.21 0.00e+00 GB AAA26981 "pyrogenic exotoxin B [Streptococcus pyogenes]" 100.00 398 98.81 99.21 0.00e+00 GB AAA26982 "pyrogenic exotoxin B [Streptococcus pyogenes]" 100.00 398 99.60 99.60 0.00e+00 REF NP_269985 "pyrogenic exotoxin B [Streptococcus pyogenes M1 GAS]" 100.00 398 99.60 99.60 0.00e+00 REF NP_608060 "pyrogenic exotoxin B [Streptococcus pyogenes MGAS8232]" 100.00 398 99.21 99.21 0.00e+00 REF NP_665546 "pyrogenic exotoxin B [Streptococcus pyogenes MGAS315]" 100.00 398 99.21 99.21 0.00e+00 REF NP_803001 "protein SpeB [Streptococcus pyogenes SSI-1]" 100.00 398 99.21 99.21 0.00e+00 REF WP_002982421 "peptidase C10 [Streptococcus pyogenes]" 100.00 398 98.81 99.21 0.00e+00 SP P0C0J0 "RecName: Full=Streptopain; AltName: Full=Exotoxin type B; AltName: Full=SPE B; AltName: Full=Streptococcal cysteine proteinase;" 100.00 398 99.21 99.21 0.00e+00 SP P0C0J1 "RecName: Full=Streptopain; AltName: Full=Exotoxin type B; AltName: Full=SPE B; AltName: Full=Streptococcal cysteine proteinase;" 100.00 398 99.60 99.60 0.00e+00 SP P0DD38 "RecName: Full=Streptopain; AltName: Full=Exotoxin type B; AltName: Full=SPE B; AltName: Full=Streptococcal cysteine proteinase;" 100.00 398 99.21 99.21 0.00e+00 SP P0DD39 "RecName: Full=Streptopain; AltName: Full=Exotoxin type B; AltName: Full=SPE B; AltName: Full=Streptococcal cysteine proteinase;" 100.00 398 99.21 99.21 0.00e+00 SP P68885 "RecName: Full=Streptopain; AltName: Full=Exotoxin type B; AltName: Full=SPE B; AltName: Full=Streptococcal cysteine proteinase;" 100.00 398 99.21 99.21 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $streptopain 'Streptococcus pyogenes' 1314 Eubacteria . Streptococcus pyogenes stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $streptopain 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pET-21a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 1.2 1.8 . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2.0 2.5 '[U-75% 2H; U-95% 13C; U-95% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2.0 2.5 '[U-95% 13C; U-95% 15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 '[U-95% 15N]' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Ala stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Asp stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Glu stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Phe stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Gly stop_ save_ save_sample_10 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-His stop_ save_ save_sample_11 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Ile stop_ save_ save_sample_12 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Lys stop_ save_ save_sample_13 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Leu stop_ save_ save_sample_14 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Met stop_ save_ save_sample_15 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Gln stop_ save_ save_sample_16 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Val stop_ save_ save_sample_17 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $streptopain . mM 2 2.5 [15N]-Tyr stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_1H-15N-TOCSY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-TOCSY-HSQC _Sample_label . save_ save_1H-15N-NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-NOESY-HSQC _Sample_label . save_ save_2D_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D COSY' _Sample_label . save_ save_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.005 na temperature 300 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCA HN(CO)CA HNCO HN(CA)CO HNCACB CBCA(CO)NH HNHA HCCH-TOCSY 1H-15N-TOCSY-HSQC 1H-15N-NOESY-HSQC '2D NOESY' '2D TOCSY' '2D COSY' HSQC stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name streptopain _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 . 4 VAL H H 8.68 0.01 1 2 . 4 VAL HA H 3.70 0.01 1 3 . 4 VAL CA C 58.7 0.1 1 4 . 4 VAL CB C 31.5 0.1 1 5 . 4 VAL N N 128.4 0.1 1 6 . 5 LYS H H 8.70 0.01 1 7 . 5 LYS HA H 4.28 0.01 1 8 . 5 LYS CA C 53.9 0.1 1 9 . 5 LYS CB C 28.0 0.1 1 10 . 5 LYS N N 128.8 0.1 1 11 . 6 SER H H 8.28 0.01 1 12 . 6 SER HA H 4.72 0.01 1 13 . 6 SER CA C 55.2 0.1 1 14 . 6 SER CB C 58.5 0.1 1 15 . 6 SER N N 111.5 0.1 1 16 . 7 LEU H H 9.21 0.01 1 17 . 7 LEU HA H 3.96 0.01 1 18 . 7 LEU CA C 54.7 0.1 1 19 . 7 LEU CB C 38.5 0.1 1 20 . 7 LEU N N 100.6 0.1 1 21 . 8 LEU H H 9.35 0.01 1 22 . 8 LEU HA H 4.66 0.01 1 23 . 8 LEU CA C 55.9 0.1 1 24 . 8 LEU CB C 33.9 0.1 1 25 . 8 LEU N N 118.5 0.1 1 26 . 9 ASP H H 7.71 0.01 1 27 . 9 ASP HA H 4.16 0.01 1 28 . 9 ASP CA C 54.7 0.1 1 29 . 9 ASP CB C 35.0 0.1 1 30 . 9 ASP N N 119.5 0.1 1 31 . 10 SER H H 7.54 0.01 1 32 . 10 SER HA H 4.19 0.01 1 33 . 10 SER CA C 58.7 0.1 1 34 . 10 SER CB C 59.6 0.1 1 35 . 10 SER N N 115.2 0.1 1 36 . 11 LYS H H 6.76 0.01 1 37 . 11 LYS HA H 4.52 0.01 1 38 . 11 LYS CA C 52.2 0.1 1 39 . 11 LYS CB C 30.3 0.1 1 40 . 11 LYS N N 112.8 0.1 1 41 . 12 GLY H H 7.77 0.01 1 42 . 12 GLY HA2 H 3.81 0.01 1 43 . 12 GLY HA3 H 3.96 0.01 1 44 . 12 GLY CA C 43.7 0.1 1 45 . 12 GLY N N 109.8 0.1 1 46 . 13 ILE H H 7.31 0.01 1 47 . 13 ILE HA H 4.25 0.01 1 48 . 13 ILE CA C 57.9 0.1 1 49 . 13 ILE CB C 35.0 0.1 1 50 . 13 ILE N N 120.2 0.1 1 51 . 14 HIS H H 7.85 0.01 1 52 . 14 HIS HA H 4.28 0.01 1 53 . 14 HIS CA C 54.2 0.1 1 54 . 14 HIS CB C 24.5 0.1 1 55 . 14 HIS N N 120.2 0.1 1 56 . 15 TYR H H 9.1 0.1 1 57 . 15 TYR HA H 4.52 0.01 1 58 . 15 TYR CA C 57.2 0.1 1 59 . 15 TYR CB C 35.0 0.1 1 60 . 15 TYR N N 122.5 0.1 1 61 . 16 ASN H H 7.54 0.01 1 62 . 16 ASN HA H 4.46 0.01 1 63 . 16 ASN CA C 48.7 0.1 1 64 . 16 ASN CB C 33.9 0.1 1 65 . 16 ASN N N 114.3 0.1 1 66 . 17 GLN H H 8.93 0.01 1 67 . 17 GLN HA H 5.16 0.01 1 68 . 17 GLN CA C 53.4 0.1 1 69 . 17 GLN CB C 37.4 0.1 1 70 . 17 GLN N N 115.5 0.1 1 71 . 18 GLY H H 7.62 0.01 1 72 . 18 GLY HA2 H 3.67 0.01 1 73 . 18 GLY HA3 H 3.67 0.01 1 74 . 18 GLY CA C 40.4 0.1 1 75 . 18 GLY N N 107.0 0.1 1 76 . 19 ASN H H 8.96 0.01 1 77 . 19 ASN HA H 4.72 0.01 1 78 . 19 ASN CA C 50.2 0.1 1 79 . 19 ASN CB C 36.2 0.1 1 80 . 19 ASN N N 123.2 0.1 1 81 . 20 PRO HA H 4.49 0.01 1 82 . 20 PRO CA C 62.0 0.1 1 83 . 20 PRO CB C 26.8 0.1 1 84 . 21 TYR H H 8.55 0.01 1 85 . 21 TYR HA H 4.49 0.01 1 86 . 21 TYR CA C 56.9 0.1 1 87 . 21 TYR CB C 33.9 0.1 1 88 . 21 TYR N N 119.7 0.1 1 89 . 22 ASN H H 7.54 0.01 1 90 . 22 ASN HA H 4.72 0.01 1 91 . 22 ASN CA C 48.7 0.1 1 92 . 22 ASN CB C 33.9 0.1 1 93 . 22 ASN N N 114.3 0.1 1 94 . 23 LEU H H 7.03 0.01 1 95 . 23 LEU HA H 4.25 0.01 1 96 . 23 LEU CA C 57.4 0.1 1 97 . 23 LEU CB C 36.2 0.1 1 98 . 23 LEU N N 110.8 0.1 1 99 . 24 LEU H H 8.44 0.01 1 100 . 24 LEU HA H 4.34 0.01 1 101 . 24 LEU CA C 50.2 0.1 1 102 . 24 LEU CB C 38.5 0.1 1 103 . 24 LEU N N 114.0 0.1 1 104 . 25 THR H H 7.08 0.01 1 105 . 25 THR HA H 4.25 0.01 1 106 . 25 THR CA C 53.7 0.1 1 107 . 25 THR CB C 63.1 0.1 1 108 . 25 THR N N 111.1 0.1 1 109 . 26 PRO HA H 4.25 0.01 1 110 . 26 PRO CA C 61.0 0.1 1 111 . 26 PRO CB C 28.0 0.1 1 112 . 27 VAL H H 8.11 0.01 1 113 . 27 VAL HA H 4.25 0.01 1 114 . 27 VAL CA C 58.9 0.1 1 115 . 27 VAL CB C 28.0 0.1 1 116 . 27 VAL N N 121.5 0.1 1 117 . 28 ILE H H 8.44 0.01 1 118 . 28 ILE HA H 3.96 0.01 1 119 . 28 ILE CA C 61.0 0.1 1 120 . 28 ILE CB C 33.4 0.1 1 121 . 28 ILE N N 128.2 0.1 1 122 . 29 GLU H H 7.50 0.01 1 123 . 29 GLU HA H 4.54 0.01 1 124 . 29 GLU CA C 53.9 0.1 1 125 . 29 GLU CB C 29.2 0.1 1 126 . 29 GLU N N 124.8 0.1 1 127 . 30 LYS H H 7.43 0.01 1 128 . 30 LYS HA H 4.72 0.01 1 129 . 30 LYS CA C 51.9 0.1 1 130 . 30 LYS CB C 32.7 0.1 1 131 . 30 LYS N N 118.5 0.1 1 132 . 31 VAL H H 8.23 0.01 1 133 . 31 VAL HA H 4.49 0.01 1 134 . 31 VAL CA C 58.4 0.1 1 135 . 31 VAL CB C 29.2 0.1 1 136 . 31 VAL N N 119.5 0.1 1 137 . 32 LYS H H 8.69 0.01 1 138 . 32 LYS HA H 4.28 0.01 1 139 . 32 LYS CA C 50.3 0.1 1 140 . 32 LYS CB C 29.2 0.1 1 141 . 32 LYS N N 101.1 0.1 1 142 . 33 PRO HA H 4.37 0.01 1 143 . 33 PRO CA C 61.5 0.1 1 144 . 33 PRO CB C 26.8 0.1 1 145 . 34 GLY H H 8.63 0.01 1 146 . 34 GLY HA2 H 4.37 0.01 1 147 . 34 GLY HA3 H 4.37 0.01 1 148 . 34 GLY CA C 42.2 0.1 1 149 . 34 GLY N N 112.5 0.1 1 150 . 35 GLU H H 8.47 0.01 1 151 . 35 GLU HA H 4.72 0.01 1 152 . 35 GLU CA C 51.7 0.1 1 153 . 35 GLU CB C 29.2 0.1 1 154 . 35 GLU N N 123.5 0.1 1 155 . 36 GLN H H 8.14 0.01 1 156 . 36 GLN HA H 4.22 0.01 1 157 . 36 GLN CA C 52.9 0.1 1 158 . 36 GLN CB C 29.2 0.1 1 159 . 36 GLN N N 120.2 0.1 1 160 . 37 SER H H 8.33 0.01 1 161 . 37 SER HA H 4.49 0.01 1 162 . 37 SER CA C 55.7 0.1 1 163 . 37 SER CB C 59.6 0.1 1 164 . 37 SER N N 112.3 0.1 1 165 . 38 PHE H H 9.67 0.01 1 166 . 38 PHE HA H 4.72 0.01 1 167 . 38 PHE CA C 54.4 0.1 1 168 . 38 PHE CB C 36.2 0.1 1 169 . 38 PHE N N 128.4 0.1 1 170 . 39 VAL H H 7.76 0.01 1 171 . 39 VAL HA H 4.54 0.01 1 172 . 39 VAL CA C 62.2 0.1 1 173 . 39 VAL CB C 26.8 0.1 1 174 . 39 VAL N N 119.7 0.1 1 175 . 40 GLY H H 8.44 0.01 1 176 . 40 GLY HA2 H 3.73 0.01 2 177 . 40 GLY HA3 H 3.579 0.01 2 178 . 40 GLY CA C 41.9 0.1 1 179 . 40 GLY N N 114.0 0.1 1 180 . 41 GLN H H 8.11 0.01 1 181 . 41 GLN HA H 4.63 0.01 1 182 . 41 GLN CA C 51.2 0.1 1 183 . 41 GLN CB C 25.7 0.1 1 184 . 41 GLN N N 118.5 0.1 1 185 . 42 HIS H H 8.96 0.01 1 186 . 42 HIS HA H 4.66 0.01 1 187 . 42 HIS CA C 54.7 0.1 1 188 . 42 HIS CB C 24.5 0.1 1 189 . 42 HIS N N 119.2 0.1 1 190 . 43 ALA H H 8.20 0.01 1 191 . 43 ALA HA H 4.19 0.01 1 192 . 43 ALA CA C 48.7 0.1 1 193 . 43 ALA CB C 16.3 0.1 1 194 . 43 ALA N N 124.4 0.1 1 195 . 44 ALA H H 7.87 0.01 1 196 . 44 ALA HA H 4.69 0.01 1 197 . 44 ALA CA C 49.9 0.1 1 198 . 44 ALA CB C 15.1 0.1 1 199 . 44 ALA N N 123.0 0.1 1 200 . 45 THR H H 8.88 0.01 1 201 . 45 THR HA H 4.63 0.01 1 202 . 45 THR CA C 62.5 0.1 1 203 . 45 THR CB C 65.5 0.1 1 204 . 45 THR N N 109.8 0.1 1 205 . 46 GLY H H 7.37 0.01 1 206 . 46 GLY HA2 H 4.05 0.01 1 207 . 46 GLY HA3 H 4.05 0.01 1 208 . 46 GLY CA C 42.2 0.1 1 209 . 46 GLY N N 104.0 0.1 1 210 . 47 SER H H 6.89 0.01 1 211 . 47 SER HA H 4.52 0.01 1 212 . 47 SER CA C 59.7 0.1 1 213 . 47 SER CB C 65.5 0.1 1 214 . 47 SER N N 105.3 0.1 1 215 . 48 VAL H H 7.89 0.01 1 216 . 48 VAL HA H 4.72 0.01 1 217 . 48 VAL CA C 54.9 0.1 1 218 . 48 VAL CB C 25.7 0.1 1 219 . 48 VAL N N 114.7 0.1 1 220 . 49 ALA H H 8.13 0.01 1 221 . 49 ALA HA H 4.34 0.01 1 222 . 49 ALA CA C 51.4 0.1 1 223 . 49 ALA CB C 13.9 0.1 1 224 . 49 ALA N N 121.5 0.1 1 225 . 50 THR H H 8.19 0.01 1 226 . 50 THR HA H 3.55 0.01 1 227 . 50 THR CA C 61.7 0.1 1 228 . 50 THR CB C 61.6 0.1 1 229 . 50 THR N N 115.0 0.1 1 230 . 51 ALA H H 8.25 0.01 1 231 . 51 ALA HA H 3.84 0.01 1 232 . 51 ALA CA C 52.9 0.1 1 233 . 51 ALA CB C 14.6 0.1 1 234 . 51 ALA N N 122.0 0.1 1 235 . 52 THR H H 7.19 0.01 1 236 . 52 THR HA H 4.72 0.01 1 237 . 52 THR CA C 63.1 0.1 1 238 . 52 THR CB C 63.1 0.1 1 239 . 52 THR N N 111.8 0.1 1 240 . 53 ALA CA C 52.7 0.1 1 241 . 53 ALA CB C 13.9 0.1 1 242 . 54 GLN H H 7.76 0.01 1 243 . 54 GLN HA H 3.40 0.01 1 244 . 54 GLN CA C 57.4 0.1 1 245 . 54 GLN CB C 26.8 0.1 1 246 . 54 GLN N N 112.0 0.1 1 247 . 55 ILE H H 7.22 0.01 1 248 . 55 ILE HA H 3.32 0.01 1 249 . 55 ILE CA C 63.2 0.1 1 250 . 55 ILE CB C 33.9 0.1 1 251 . 55 ILE N N 117.7 0.1 1 252 . 56 MET H H 8.54 0.01 1 253 . 56 MET HA H 3.59 0.01 1 254 . 56 MET CA C 56.2 0.1 1 255 . 56 MET N N 119.2 0.1 1 256 . 57 LYS H H 8.47 0.01 1 257 . 57 LYS HA H 4.25 0.01 1 258 . 57 LYS CA C 53.4 0.1 1 259 . 57 LYS CB C 25.7 0.1 1 260 . 57 LYS N N 117.0 0.1 1 261 . 58 TYR H H 7.68 0.01 1 262 . 58 TYR HA H 4.22 0.01 1 263 . 58 TYR CA C 52.2 0.1 1 264 . 58 TYR CB C 33.9 0.1 1 265 . 58 TYR N N 121.2 0.1 1 266 . 59 HIS H H 7.06 0.01 1 267 . 59 HIS HA H 4.11 0.01 1 268 . 59 HIS CA C 54.4 0.1 1 269 . 59 HIS CB C 28.0 0.1 1 270 . 59 HIS N N 113.5 0.1 1 271 . 60 ASN H H 7.92 0.01 1 272 . 60 ASN HA H 4.67 0.01 1 273 . 60 ASN CA C 54.2 0.1 1 274 . 60 ASN CB C 33.856 0.1 1 275 . 61 TYR H H 6.24 0.01 1 276 . 61 TYR HA H 4.43 0.01 1 277 . 61 TYR CA C 53.4 0.1 1 278 . 61 TYR CB C 35.0 0.1 1 279 . 61 TYR N N 116.2 0.1 1 280 . 62 PRO HA H 4.72 0.01 1 281 . 62 PRO CA C 59.7 0.1 1 282 . 62 PRO CB C 30.3 0.1 1 283 . 63 ASN H H 8.55 0.01 1 284 . 63 ASN HA H 5.16 0.01 1 285 . 63 ASN CA C 52.9 0.1 1 286 . 63 ASN CB C 35.0 0.1 1 287 . 63 ASN N N 116.5 0.1 1 288 . 64 LYS H H 7.52 0.01 1 289 . 64 LYS HA H 5.19 0.01 1 290 . 64 LYS CA C 51.4 0.1 1 291 . 64 LYS CB C 31.5 0.1 1 292 . 64 LYS N N 117.0 0.1 1 293 . 65 GLY H H 7.82 0.01 1 294 . 65 GLY HA2 H 3.90 0.01 2 295 . 65 GLY HA3 H 4.22 0.01 2 296 . 65 GLY CA C 42.2 0.1 1 297 . 65 GLY N N 108.0 0.1 1 298 . 66 LEU H H 7.61 0.01 1 299 . 66 LEU HA H 4.55 0.01 1 300 . 66 LEU CA C 53.4 0.1 1 301 . 66 LEU CB C 39.7 0.1 1 302 . 66 LEU N N 115.0 0.1 1 303 . 67 LYS H H 6.86 0.01 1 304 . 67 LYS HA H 4.57 0.01 1 305 . 67 LYS CA C 53.2 0.1 1 306 . 67 LYS CB C 32.7 0.1 1 307 . 67 LYS N N 116.5 0.1 1 308 . 68 ASP H H 8.87 0.01 1 309 . 68 ASP HA H 4.57 0.01 1 310 . 68 ASP CA C 52.4 0.1 1 311 . 68 ASP CB C 38.5 0.1 1 312 . 68 ASP N N 126.4 0.1 1 313 . 69 TYR H H 8.11 0.01 1 314 . 69 TYR HA H 4.63 0.01 1 315 . 69 TYR CA C 56.1 0.1 1 316 . 69 TYR CB C 39.7 0.1 1 317 . 69 TYR N N 117.5 0.1 1 318 . 70 THR H H 6.76 0.01 1 319 . 70 THR HA H 5.39 0.01 1 320 . 70 THR CA C 56.2 0.1 1 321 . 70 THR CB C 67.7 0.1 1 322 . 70 THR N N 120.2 0.1 1 323 . 71 TYR H H 8.55 0.01 1 324 . 71 TYR HA H 4.75 0.01 1 325 . 71 TYR CA C 53.7 0.1 1 326 . 71 TYR CB C 36.2 0.1 1 327 . 71 TYR N N 122.2 0.1 1 328 . 72 THR H H 8.38 0.01 1 329 . 72 THR HA H 4.75 0.01 1 330 . 72 THR CA C 58.2 0.1 1 331 . 72 THR CB C 66.6 0.1 1 332 . 72 THR N N 117.0 0.1 1 333 . 73 LEU H H 8.23 0.01 1 334 . 73 LEU HA H 4.31 0.01 1 335 . 73 LEU CA C 52.7 0.1 1 336 . 73 LEU CB C 32.7 0.1 1 337 . 73 LEU N N 125.9 0.1 1 338 . 74 SER H H 9.96 0.01 1 339 . 74 SER HA H 4.31 0.01 1 340 . 74 SER CA C 55.7 0.1 1 341 . 74 SER CB C 60.8 0.1 1 342 . 74 SER N N 117.7 0.1 1 343 . 75 SER H H 8.50 0.01 1 344 . 75 SER HA H 4.28 0.01 1 345 . 75 SER CA C 56.9 0.1 1 346 . 75 SER CB C 59.6 0.1 1 347 . 75 SER N N 121.2 0.1 1 348 . 76 ASN H H 7.93 0.01 1 349 . 76 ASN HA H 4.72 0.01 1 350 . 76 ASN CA C 50.4 0.1 1 351 . 76 ASN CB C 35.0 0.1 1 352 . 76 ASN N N 117.0 0.1 1 353 . 77 ASN H H 7.92 0.01 1 354 . 77 ASN HA H 5.07 0.01 1 355 . 77 ASN CA C 48.9 0.1 1 356 . 77 ASN CB C 36.2 0.1 1 357 . 77 ASN N N 123.0 0.1 1 358 . 78 PRO HA H 4.16 0.01 1 359 . 78 PRO CA C 60.7 0.1 1 360 . 78 PRO CB C 28.0 0.1 1 361 . 79 TYR H H 8.88 0.01 1 362 . 79 TYR HA H 4.16 0.01 1 363 . 79 TYR CA C 57.7 0.1 1 364 . 79 TYR CB C 35.0 0.1 1 365 . 79 TYR N N 115.7 0.1 1 366 . 80 PHE H H 6.8 0.1 1 367 . 80 PHE HA H 4.78 0.01 1 368 . 80 PHE CA C 53.7 0.1 1 369 . 80 PHE CB C 40.9 0.1 1 370 . 80 PHE N N 113.3 0.1 1 371 . 81 ASN H H 8.72 0.01 1 372 . 81 ASN HA H 4.49 0.01 1 373 . 81 ASN CA C 50.7 0.1 1 374 . 81 ASN CB C 35.0 0.1 1 375 . 81 ASN N N 118.0 0.1 1 376 . 82 HIS H H 8.30 0.01 1 377 . 82 HIS HA H 4.49 0.01 1 378 . 82 HIS CA C 52.4 0.1 1 379 . 82 HIS CB C 36.2 0.1 1 380 . 82 HIS N N 120.7 0.1 1 381 . 83 PRO HA H 4.75 0.01 1 382 . 83 PRO CA C 59.2 0.1 1 383 . 83 PRO CB C 30.3 0.1 1 384 . 84 LYS H H 9.80 0.01 1 385 . 84 LYS HA H 4.72 0.01 1 386 . 84 LYS CA C 51.7 0.1 1 387 . 84 LYS CB C 29.2 0.1 1 388 . 84 LYS N N 126.4 0.1 1 389 . 85 ASN H H 8.68 0.01 1 390 . 85 ASN HA H 5.13 0.01 1 391 . 85 ASN CA C 49.2 0.1 1 392 . 85 ASN CB C 36.2 0.1 1 393 . 85 ASN N N 124.9 0.1 1 394 . 86 LEU H H 8.74 0.01 1 395 . 86 LEU HA H 4.84 0.01 1 396 . 86 LEU CA C 51.4 0.1 1 397 . 86 LEU CB C 39.7 0.1 1 398 . 86 LEU N N 124.2 0.1 1 399 . 87 PHE H H 8.66 0.01 1 400 . 87 PHE HA H 5.36 0.01 1 401 . 87 PHE CA C 53.4 0.1 1 402 . 87 PHE CB C 39.7 0.1 1 403 . 87 PHE N N 122.7 0.1 1 404 . 88 ALA H H 8.80 0.01 1 405 . 88 ALA HA H 4.54 0.01 1 406 . 88 ALA CA C 47.4 0.1 1 407 . 88 ALA CB C 17.5 0.1 1 408 . 88 ALA N N 128.7 0.1 1 409 . 89 ALA H H 8.39 0.01 1 410 . 89 ALA HA H 4.34 0.01 1 411 . 89 ALA CA C 47.7 0.1 1 412 . 89 ALA CB C 11.6 0.1 1 413 . 89 ALA N N 100.1 0.1 1 414 . 90 ILE H H 7.96 0.01 1 415 . 90 ILE HA H 4.37 0.01 1 416 . 90 ILE CA C 62.0 0.1 1 417 . 90 ILE CB C 35.0 0.1 1 418 . 90 ILE N N 123.9 0.1 1 419 . 91 SER H H 8.98 0.01 1 420 . 91 SER HA H 4.72 0.01 1 421 . 91 SER CA C 58.7 0.1 1 422 . 91 SER CB C 59.6 0.1 1 423 . 91 SER N N 112.3 0.1 1 424 . 92 THR H H 7.50 0.01 1 425 . 92 THR HA H 4.48 0.01 1 426 . 92 THR CA C 57.9 0.1 1 427 . 92 THR CB C 66.6 0.1 1 428 . 92 THR N N 109.8 0.1 1 429 . 93 ARG H H 7.38 0.01 1 430 . 93 ARG HA H 3.81 0.01 1 431 . 93 ARG CA C 52.2 0.1 1 432 . 93 ARG CB C 25.7 0.1 1 433 . 93 ARG N N 123.2 0.1 1 434 . 94 GLN H H 8.36 0.01 1 435 . 94 GLN HA H 4.75 0.01 1 436 . 94 GLN CA C 51.4 0.1 1 437 . 94 GLN CB C 24.5 0.1 1 438 . 94 GLN N N 124.4 0.1 1 439 . 95 TYR H H 7.52 0.01 1 440 . 95 TYR HA H 4.11 0.01 1 441 . 95 TYR CA C 55.4 0.1 1 442 . 95 TYR CB C 33.9 0.1 1 443 . 95 TYR N N 124.2 0.1 1 444 . 96 ASN H H 9.06 0.01 1 445 . 96 ASN HA H 4.75 0.01 1 446 . 96 ASN CA C 47.9 0.1 1 447 . 96 ASN CB C 33.9 0.1 1 448 . 96 ASN N N 122.0 0.1 1 449 . 97 TRP H H 8.19 0.01 1 450 . 97 TRP HA H 4.02 0.01 1 451 . 97 TRP CA C 57.4 0.1 1 452 . 97 TRP CB C 24.5 0.1 1 453 . 97 TRP N N 124.9 0.1 1 454 . 98 ASN H H 8.18 0.01 1 455 . 98 ASN HA H 4.63 0.01 1 456 . 98 ASN CA C 52.2 0.1 1 457 . 98 ASN CB C 35.0 0.1 1 458 . 98 ASN N N 114.0 0.1 1 459 . 99 ASN H H 7.6 0.1 1 460 . 99 ASN HA H 4.7 0.1 1 461 . 99 ASN CA C 50.2 0.1 1 462 . 99 ASN CB C 35.0 0.1 1 463 . 99 ASN N N 116.5 0.1 1 464 . 100 ILE H H 6.8 0.1 1 465 . 100 ILE HA H 4.1 0.1 1 466 . 100 ILE CA C 57.9 0.1 1 467 . 100 ILE CB C 32.7 0.1 1 468 . 100 ILE N N 119.2 0.1 1 469 . 101 LEU H H 8.2 0.1 1 470 . 101 LEU HA H 4.1 0.1 1 471 . 101 LEU CA C 50.9 0.1 1 472 . 101 LEU CB C 36.2 0.1 1 473 . 101 LEU N N 123.2 0.1 1 474 . 102 PRO HA H 4.52 0.01 1 475 . 102 PRO CA C 62.0 0.1 1 476 . 102 PRO CB C 28.0 0.1 1 477 . 103 THR H H 6.86 0.01 1 478 . 103 THR HA H 4.52 0.01 1 479 . 103 THR CA C 59.7 0.1 1 480 . 103 THR CB C 65.5 0.1 1 481 . 103 THR N N 105.3 0.1 1 482 . 104 TYR H H 7.68 0.01 1 483 . 104 TYR HA H 4.72 0.01 1 484 . 104 TYR CA C 54.4 0.1 1 485 . 104 TYR CB C 37.4 0.1 1 486 . 104 TYR N N 121.7 0.1 1 487 . 105 SER H H 11.71 0.01 1 488 . 105 SER HA H 4.78 0.01 1 489 . 105 SER CA C 56.9 0.1 1 490 . 105 SER CB C 62.0 0.1 1 491 . 105 SER N N 121.0 0.1 1 492 . 106 GLY H H 10.64 0.01 1 493 . 106 GLY HA2 H 4.78 0.01 1 494 . 106 GLY HA3 H 4.78 0.01 1 495 . 106 GLY CA C 42.7 0.1 1 496 . 106 GLY N N 113.3 0.1 1 497 . 107 ARG H H 7.87 0.01 1 498 . 107 ARG HA H 4.72 0.01 1 499 . 107 ARG CA C 52.9 0.1 1 500 . 107 ARG CB C 25.7 0.1 1 501 . 107 ARG N N 119.0 0.1 1 502 . 108 GLU H H 8.24 0.01 1 503 . 108 GLU HA H 4.31 0.01 1 504 . 108 GLU CA C 54.9 0.1 1 505 . 108 GLU CB C 24.5 0.1 1 506 . 108 GLU N N 118.5 0.1 1 507 . 109 SER H H 8.37 0.01 1 508 . 109 SER HA H 4.49 0.01 1 509 . 109 SER CA C 54.4 0.1 1 510 . 109 SER CB C 62.0 0.1 1 511 . 109 SER N N 114.5 0.1 1 512 . 110 ASN H H 9.21 0.01 1 513 . 110 ASN HA H 4.52 0.01 1 514 . 110 ASN CA C 53.8 0.1 1 515 . 110 ASN CB C 33.9 0.1 1 516 . 110 ASN N N 119.5 0.1 1 517 . 111 VAL H H 8.16 0.01 1 518 . 111 VAL HA H 3.73 0.01 1 519 . 111 VAL CA C 63.5 0.1 1 520 . 111 VAL CB C 28.0 0.1 1 521 . 111 VAL N N 118.0 0.1 1 522 . 112 GLN H H 7.56 0.01 1 523 . 112 GLN HA H 4.58 0.01 1 524 . 112 GLN CA C 55.4 0.1 1 525 . 112 GLN CB C 23.3 0.1 1 526 . 112 GLN N N 119.5 0.1 1 527 . 113 LYS H H 8.88 0.01 1 528 . 113 LYS HA H 3.75 0.01 1 529 . 113 LYS CA C 57.4 0.1 1 530 . 113 LYS CB C 28.0 0.1 1 531 . 113 LYS N N 123.5 0.1 1 532 . 114 MET H H 8.80 0.01 1 533 . 114 MET HA H 3.75 0.01 1 534 . 114 MET CA C 53.9 0.1 1 535 . 114 MET CB C 26.8 0.1 1 536 . 114 MET N N 117.7 0.1 1 537 . 115 ALA H H 7.68 0.01 1 538 . 115 ALA HA H 4.22 0.01 1 539 . 115 ALA CA C 52.2 0.1 1 540 . 115 ALA CB C 13.9 0.1 1 541 . 115 ALA N N 121.2 0.1 1 542 . 116 ILE H H 7.16 0.01 1 543 . 116 ILE HA H 4.40 0.01 1 544 . 116 ILE CA C 56.7 0.1 1 545 . 116 ILE CB C 32.7 0.1 1 546 . 116 ILE N N 113.5 0.1 1 547 . 117 SER H H 7.79 0.01 1 548 . 117 SER HA H 4.28 0.01 1 549 . 117 SER CA C 58.5 0.1 1 550 . 117 SER CB C 58.5 0.1 1 551 . 117 SER N N 121.5 0.1 1 552 . 118 GLU H H 8.69 0.01 1 553 . 118 GLU HA H 3.93 0.01 1 554 . 118 GLU CA C 56.7 0.1 1 555 . 118 GLU CB C 26.8 0.1 1 556 . 118 GLU N N 125.9 0.1 1 557 . 119 LEU H H 7.07 0.01 1 558 . 119 LEU HA H 4.14 0.01 1 559 . 119 LEU CA C 55.9 0.1 1 560 . 119 LEU CB C 37.4 0.1 1 561 . 119 LEU N N 118.5 0.1 1 562 . 120 MET H H 8.65 0.01 1 563 . 120 MET HA H 4.29 0.01 1 564 . 120 MET CA C 54.9 0.1 1 565 . 120 MET CB C 29.4 0.1 1 566 . 120 MET N N 113.5 0.1 1 567 . 121 ALA H H 8.13 0.01 1 568 . 121 ALA HA H 4.34 0.01 1 569 . 121 ALA CA C 52.4 0.1 1 570 . 121 ALA CB C 13.9 0.1 1 571 . 121 ALA N N 124.4 0.1 1 572 . 122 ASP H H 8.20 0.01 1 573 . 122 ASP HA H 4.25 0.01 1 574 . 122 ASP CA C 54.9 0.1 1 575 . 122 ASP CB C 36.2 0.1 1 576 . 122 ASP N N 120.2 0.1 1 577 . 123 VAL H H 8.80 0.01 1 578 . 123 VAL HA H 3.64 0.01 1 579 . 123 VAL CA C 63.0 0.1 1 580 . 123 VAL CB C 27.9 0.1 1 581 . 123 VAL N N 117.0 0.1 1 582 . 124 GLY H H 8.2 0.1 1 583 . 124 GLY HA2 H 4.19 0.01 1 584 . 124 GLY HA3 H 4.19 0.01 1 585 . 124 GLY CA C 43.2 0.1 1 586 . 124 GLY N N 105.8 0.1 1 587 . 125 ILE H H 8.85 0.01 1 588 . 125 ILE HA H 4.25 0.01 1 589 . 125 ILE CA C 62.0 0.1 1 590 . 125 ILE CB C 34.0 0.1 1 591 . 125 ILE N N 123.3 0.1 1 592 . 126 SER H H 8.99 0.01 1 593 . 126 SER HA H 4.72 0.01 1 594 . 126 SER CA C 58.7 0.1 1 595 . 126 SER CB C 59.6 0.1 1 596 . 126 SER N N 112.1 0.1 1 597 . 127 VAL H H 8.99 0.01 1 598 . 127 VAL HA H 4.72 0.01 1 599 . 127 VAL CA C 63.2 0.1 1 600 . 127 VAL CB C 28.5 0.1 1 601 . 127 VAL N N 124.2 0.1 1 602 . 128 ASP H H 7.56 0.01 1 603 . 128 ASP HA H 4.72 0.01 1 604 . 128 ASP CA C 50.7 0.1 1 605 . 128 ASP CB C 35.0 0.1 1 606 . 128 ASP N N 119.5 0.1 1 607 . 129 MET H H 7.02 0.01 1 608 . 129 MET HA H 3.81 0.01 1 609 . 129 MET CA C 53.2 0.1 1 610 . 129 MET CB C 25.7 0.1 1 611 . 129 MET N N 117.7 0.1 1 612 . 130 ASP H H 9.69 0.01 1 613 . 130 ASP HA H 5.19 0.01 1 614 . 130 ASP CA C 50.2 0.1 1 615 . 130 ASP CB C 36.2 0.1 1 616 . 130 ASP N N 129.4 0.1 1 617 . 131 TYR H H 6.38 0.01 1 618 . 131 TYR HA H 5.19 0.01 1 619 . 131 TYR CA C 58.2 0.1 1 620 . 131 TYR CB C 37.4 0.1 1 621 . 131 TYR N N 120.5 0.1 1 622 . 132 GLY H H 8.52 0.01 1 623 . 132 GLY HA2 H 3.43 0.01 2 624 . 132 GLY HA3 H 3.96 0.01 2 625 . 132 GLY CA C 43.4 0.1 1 626 . 132 GLY N N 107.8 0.1 1 627 . 133 PRO HA H 4.3 0.1 1 628 . 133 PRO CA C 62.0 0.1 1 629 . 133 PRO CB C 28.0 0.1 1 630 . 134 SER H H 7.76 0.01 1 631 . 134 SER HA H 4.84 0.01 1 632 . 134 SER CA C 62.5 0.1 1 633 . 134 SER CB C 62.0 0.1 1 634 . 134 SER N N 112.0 0.1 1 635 . 135 SER H H 6.885 0.01 1 636 . 135 SER HA H 4.515 0.01 1 637 . 135 SER CA C 58.5 0.1 1 638 . 135 SER CB C 65.5 0.1 1 639 . 135 SER N N 105.3 0.1 1 640 . 136 GLY H H 8.84 0.01 1 641 . 136 GLY HA2 H 4.28 0.01 2 642 . 136 GLY HA3 H 4.05 0.01 2 643 . 136 GLY CA C 42.1 0.1 1 644 . 136 GLY N N 112.5 0.1 1 645 . 138 ALA H H 8.96 0.01 1 646 . 138 ALA HA H 3.99 0.01 1 647 . 138 ALA CA C 51.4 0.1 1 648 . 138 ALA CB C 13.9 0.1 1 649 . 138 ALA N N 129.9 0.1 1 650 . 139 GLY H H 8.24 0.01 1 651 . 139 GLY HA2 H 3.17 0.01 1 652 . 139 GLY HA3 H 3.17 0.01 1 653 . 139 GLY CA C 43.2 0.1 1 654 . 139 GLY N N 104.1 0.1 1 655 . 140 SER H H 8.55 0.01 1 656 . 140 SER HA H 4.98 0.01 1 657 . 140 SER CA C 59.2 0.1 1 658 . 140 SER CB C 60.8 0.1 1 659 . 140 SER N N 123.9 0.1 1 660 . 141 SER H H 8.81 0.01 1 661 . 141 SER HA H 4.08 0.01 1 662 . 141 SER CA C 59.2 0.1 1 663 . 141 SER CB C 59.6 0.1 1 664 . 141 SER N N 116.0 0.1 1 665 . 142 ARG H H 7.79 0.01 1 666 . 142 ARG HA H 4.193 0.01 1 667 . 142 ARG CA C 52.7 0.1 1 668 . 142 ARG CB C 25.7 0.1 1 669 . 142 ARG N N 119.2 0.1 1 670 . 143 VAL H H 8.07 0.01 1 671 . 143 VAL HA H 4.22 0.01 1 672 . 143 VAL CA C 63.7 0.1 1 673 . 143 VAL CB C 28.0 0.1 1 674 . 143 VAL N N 121.2 0.1 1 675 . 144 GLN H H 8.05 0.01 1 676 . 144 GLN HA H 3.64 0.01 1 677 . 144 GLN CA C 55.4 0.1 1 678 . 144 GLN CB C 21.0 0.1 1 679 . 144 GLN N N 113.8 0.1 1 680 . 145 ARG H H 6.16 0.01 1 681 . 145 ARG HA H 3.87 0.01 1 682 . 145 ARG CA C 55.9 0.1 1 683 . 145 ARG CB C 25.7 0.1 1 684 . 145 ARG N N 118.0 0.1 1 685 . 146 ALA H H 8.55 0.01 1 686 . 146 ALA HA H 4.52 0.01 1 687 . 146 ALA CA C 51.7 0.1 1 688 . 146 ALA CB C 15.1 0.1 1 689 . 146 ALA N N 121.7 0.1 1 690 . 147 LEU H H 8.64 0.01 1 691 . 147 LEU HA H 4.16 0.01 1 692 . 147 LEU CA C 55.4 0.1 1 693 . 147 LEU CB C 37.4 0.1 1 694 . 147 LEU N N 114.3 0.1 1 695 . 148 LYS H H 6.91 0.01 1 696 . 148 LYS HA H 4.22 0.01 1 697 . 148 LYS CA C 57.4 0.1 1 698 . 148 LYS CB C 39.2 0.1 1 699 . 148 LYS N N 115.0 0.1 1 700 . 149 GLU H H 9.14 0.01 1 701 . 149 GLU HA H 4.05 0.01 1 702 . 149 GLU CA C 56.2 0.1 1 703 . 149 GLU CB C 26.8 0.1 1 704 . 149 GLU N N 117.0 0.1 1 705 . 150 ASN H H 8.12 0.01 1 706 . 150 ASN HA H 4.78 0.01 1 707 . 150 ASN CA C 53.9 0.1 1 708 . 150 ASN CB C 35.0 0.1 1 709 . 150 ASN N N 111.3 0.1 1 710 . 151 PHE H H 7.54 0.01 1 711 . 151 PHE HA H 4.14 0.01 1 712 . 151 PHE CA C 55.7 0.1 1 713 . 151 PHE CB C 36.2 0.1 1 714 . 151 PHE N N 112.5 0.1 1 715 . 152 GLY H H 6.96 0.01 1 716 . 152 GLY HA2 H 4.11 0.01 1 717 . 152 GLY HA3 H 4.11 0.01 1 718 . 152 GLY CA C 45.2 0.1 1 719 . 152 GLY N N 103.6 0.1 1 720 . 153 TYR H H 9.54 0.01 1 721 . 153 TYR HA H 4.22 0.01 1 722 . 153 TYR CA C 57.7 0.1 1 723 . 153 TYR CB C 35.0 0.1 1 724 . 153 TYR N N 121.5 0.1 1 725 . 154 ASN H H 8.06 0.01 1 726 . 154 ASN HA H 4.19 0.01 1 727 . 154 ASN CA C 52.7 0.1 1 728 . 154 ASN CB C 36.2 0.1 1 729 . 154 ASN N N 116.0 0.1 1 730 . 155 GLN H H 8.30 0.01 1 731 . 155 GLN HA H 4.02 0.01 1 732 . 155 GLN CA C 55.0 0.1 1 733 . 155 GLN CB C 24.5 0.1 1 734 . 155 GLN N N 120.7 0.1 1 735 . 156 SER H H 9.16 0.01 1 736 . 156 SER HA H 4.05 0.01 1 737 . 156 SER CA C 57.7 0.1 1 738 . 156 SER CB C 59.6 0.1 1 739 . 156 SER N N 114.7 0.1 1 740 . 157 VAL H H 8.00 0.01 1 741 . 157 VAL HA H 4.25 0.01 1 742 . 157 VAL CA C 60.7 0.1 1 743 . 157 VAL CB C 28.0 0.1 1 744 . 157 VAL N N 127.3 0.1 1 745 . 158 HIS H H 8.80 0.01 1 746 . 158 HIS HA H 4.87 0.01 1 747 . 158 HIS CA C 52.4 0.1 1 748 . 158 HIS CB C 25.7 0.1 1 749 . 158 HIS N N 120.0 0.1 1 750 . 159 GLN H H 8.66 0.01 1 751 . 159 GLN HA H 5.21 0.01 1 752 . 159 GLN CA C 51.2 0.1 1 753 . 159 GLN CB C 25.7 0.1 1 754 . 159 GLN N N 121.7 0.1 1 755 . 160 ILE H H 9.09 0.01 1 756 . 160 ILE HA H 4.84 0.01 1 757 . 160 ILE CA C 57.4 0.1 1 758 . 160 ILE CB C 38.5 0.1 1 759 . 160 ILE N N 118.2 0.1 1 760 . 161 ASN H H 9.53 0.01 1 761 . 161 ASN HA H 5.14 0.01 1 762 . 161 ASN CA C 49.7 0.1 1 763 . 161 ASN CB C 37.4 0.1 1 764 . 161 ASN N N 121.2 0.1 1 765 . 162 ARG H H 7.43 0.01 1 766 . 162 ARG HA H 5.13 0.01 1 767 . 162 ARG CA C 54.7 0.1 1 768 . 162 ARG CB C 25.7 0.1 1 769 . 162 ARG N N 125.4 0.1 1 770 . 163 GLY H H 8.44 0.01 1 771 . 163 GLY HA2 H 3.70 0.01 2 772 . 163 GLY HA3 H 3.96 0.01 2 773 . 163 GLY CA C 42.9 0.1 1 774 . 163 GLY N N 102.6 0.1 1 775 . 164 ASP H H 7.60 0.01 1 776 . 164 ASP HA H 4.60 0.01 1 777 . 164 ASP CA C 51.7 0.1 1 778 . 164 ASP CB C 37.4 0.1 1 779 . 164 ASP N N 117.5 0.1 1 780 . 165 PHE H H 7.72 0.01 1 781 . 165 PHE HA H 5.04 0.01 1 782 . 165 PHE CA C 54.2 0.1 1 783 . 165 PHE CB C 42.1 0.1 1 784 . 165 PHE N N 117.2 0.1 1 785 . 166 SER H H 9.24 0.01 1 786 . 166 SER HA H 4.63 0.01 1 787 . 166 SER CA C 54.4 0.1 1 788 . 166 SER CB C 60.8 0.1 1 789 . 166 SER N N 116.5 0.1 1 790 . 167 LYS H H 8.88 0.01 1 791 . 167 LYS HA H 4.69 0.01 1 792 . 167 LYS CA C 58.2 0.1 1 793 . 167 LYS CB C 29.2 0.1 1 794 . 167 LYS N N 122.5 0.1 1 795 . 168 GLN H H 8.69 0.01 1 796 . 168 GLN HA H 4.25 0.01 1 797 . 168 GLN CA C 56.2 0.1 1 798 . 168 GLN CB C 24.5 0.1 1 799 . 168 GLN N N 114.5 0.1 1 800 . 169 ASP H H 7.92 0.01 1 801 . 169 ASP HA H 4.69 0.01 1 802 . 169 ASP CA C 54.2 0.1 1 803 . 169 ASP CB C 36.2 0.1 1 804 . 169 ASP N N 120.5 0.1 1 805 . 170 TRP H H 9.00 0.01 1 806 . 170 TRP HA H 4.72 0.01 1 807 . 170 TRP CA C 57.2 0.1 1 808 . 170 TRP CB C 26.8 0.1 1 809 . 170 TRP N N 123.0 0.1 1 810 . 171 GLU H H 8.26 0.01 1 811 . 171 GLU HA H 3.46 0.01 1 812 . 171 GLU CA C 57.2 0.1 1 813 . 171 GLU CB C 24.5 0.1 1 814 . 171 GLU N N 115.7 0.1 1 815 . 172 ALA H H 7.84 0.01 1 816 . 172 ALA HA H 4.16 0.01 1 817 . 172 ALA CA C 52.2 0.1 1 818 . 172 ALA CB C 13.9 0.1 1 819 . 172 ALA N N 117.7 0.1 1 820 . 173 GLN H H 7.52 0.01 1 821 . 173 GLN HA H 3.78 0.01 1 822 . 173 GLN CA C 55.7 0.1 1 823 . 173 GLN CB C 24.5 0.1 1 824 . 173 GLN N N 116.7 0.1 1 825 . 174 ILE H H 7.10 0.01 1 826 . 174 ILE HA H 3.29 0.01 1 827 . 174 ILE CA C 60.2 0.1 1 828 . 174 ILE CB C 31.5 0.1 1 829 . 174 ILE N N 119.2 0.1 1 830 . 175 ASP H H 8.934 0.01 1 831 . 175 ASP HA H 4.14 0.01 1 832 . 175 ASP CA C 54.9 0.1 1 833 . 175 ASP CB C 36.2 0.1 1 834 . 175 ASP N N 121.0 0.1 1 835 . 176 LYS H H 7.77 0.01 1 836 . 176 LYS HA H 3.93 0.01 1 837 . 176 LYS CA C 56.2 0.1 1 838 . 176 LYS CB C 28.0 0.1 1 839 . 176 LYS N N 118.2 0.1 1 840 . 177 GLU H H 7.19 0.01 1 841 . 177 GLU HA H 3.73 0.01 1 842 . 177 GLU CA C 56.2 0.1 1 843 . 177 GLU CB C 25.7 0.1 1 844 . 177 GLU N N 118.2 0.1 1 845 . 178 LEU H H 7.90 0.01 1 846 . 178 LEU HA H 3.70 0.01 1 847 . 178 LEU CA C 54.9 0.1 1 848 . 178 LEU CB C 37.4 0.1 1 849 . 178 LEU N N 117.7 0.1 1 850 . 179 SER H H 8.67 0.01 1 851 . 179 SER HA H 4.14 0.01 1 852 . 179 SER CA C 58.7 0.1 1 853 . 179 SER CB C 59.6 0.1 1 854 . 179 SER N N 115.2 0.1 1 855 . 180 GLN H H 7.26 0.01 1 856 . 180 GLN HA H 4.40 0.01 1 857 . 180 GLN CA C 51.9 0.1 1 858 . 180 GLN CB C 25.7 0.1 1 859 . 180 GLN N N 118.7 0.1 1 860 . 181 ASN H H 8.09 0.01 1 861 . 181 ASN HA H 4.19 0.01 1 862 . 181 ASN CA C 51.7 0.1 1 863 . 181 ASN CB C 32.7 0.1 1 864 . 181 ASN N N 113.0 0.1 1 865 . 182 GLN H H 7.84 0.01 1 866 . 182 GLN HA H 4.16 0.01 1 867 . 182 GLN CA C 49.9 0.1 1 868 . 182 GLN CB C 28.0 0.1 1 869 . 182 GLN N N 117.7 0.1 1 870 . 183 PRO HA H 4.08 0.01 1 871 . 183 PRO CA C 58.5 0.1 1 872 . 183 PRO CB C 29.2 0.1 1 873 . 184 VAL H H 8.35 0.01 1 874 . 184 VAL HA H 4.08 0.01 1 875 . 184 VAL CA C 59.2 0.1 1 876 . 184 VAL CB C 28.0 0.1 1 877 . 184 VAL N N 121.2 0.1 1 878 . 185 TYR H H 7.27 0.01 1 879 . 185 TYR HA H 4.11 0.01 1 880 . 185 TYR CA C 55.7 0.1 1 881 . 185 TYR CB C 35.1 0.1 1 882 . 185 TYR N N 128.2 0.1 1 883 . 186 TYR H H 8.20 0.01 1 884 . 186 TYR HA H 4.77 0.01 1 885 . 186 TYR CA C 52.6 0.1 1 886 . 186 TYR CB C 35.1 0.1 1 887 . 186 TYR N N 103.6 0.1 1 888 . 187 GLN H H 8.20 0.01 1 889 . 187 GLN HA H 4.72 0.01 1 890 . 187 GLN CA C 51.4 0.1 1 891 . 187 GLN CB C 37.5 0.1 1 892 . 187 GLN N N 117.2 0.1 1 893 . 188 GLY H H 8.04 0.01 1 894 . 188 GLY HA2 H 4.81 0.01 1 895 . 188 GLY HA3 H 4.81 0.01 1 896 . 188 GLY CA C 42.4 0.1 1 897 . 188 GLY N N 101.6 0.1 1 898 . 189 VAL H H 9.35 0.01 1 899 . 189 VAL HA H 4.84 0.01 1 900 . 189 VAL CA C 59.9 0.1 1 901 . 189 VAL CB C 31.5 0.1 1 902 . 189 VAL N N 118.7 0.1 1 903 . 190 GLY H H 8.46 0.01 1 904 . 190 GLY HA2 H 4.02 0.01 1 905 . 190 GLY HA3 H 4.02 0.01 1 906 . 190 GLY CA C 42.2 0.1 1 907 . 190 GLY N N 116.5 0.1 1 908 . 191 LYS H H 8.77 0.01 1 909 . 191 LYS HA H 4.72 0.01 1 910 . 191 LYS CA C 56.2 0.1 1 911 . 191 LYS CB C 29.5 0.1 1 912 . 191 LYS N N 121.5 0.1 1 913 . 192 VAL H H 7.95 0.01 1 914 . 192 VAL HA H 4.37 0.01 1 915 . 192 VAL CA C 58.4 0.1 1 916 . 192 VAL CB C 28.0 0.1 1 917 . 192 VAL N N 112.3 0.1 1 918 . 193 GLY H H 7.80 0.01 1 919 . 193 GLY HA2 H 3.93 0.01 1 920 . 193 GLY HA3 H 3.93 0.01 1 921 . 193 GLY CA C 41.9 0.1 1 922 . 193 GLY N N 109.3 0.1 1 923 . 194 GLY H H 8.90 0.01 1 924 . 194 GLY HA2 H 3.90 0.01 1 925 . 194 GLY HA3 H 3.90 0.01 1 926 . 194 GLY CA C 42.4 0.1 1 927 . 194 GLY N N 107.5 0.1 1 928 . 195 HIS H H 8.41 0.01 1 929 . 195 HIS HA H 4.72 0.01 1 930 . 195 HIS CA C 53.9 0.1 1 931 . 195 HIS CB C 35.0 0.1 1 932 . 195 HIS N N 120.0 0.1 1 933 . 196 ALA H H 6.87 0.01 1 934 . 196 ALA HA H 4.72 0.01 1 935 . 196 ALA CA C 46.9 0.1 1 936 . 196 ALA CB C 18.6 0.1 1 937 . 196 ALA N N 125.4 0.1 1 938 . 197 PHE H H 8.36 0.01 1 939 . 197 PHE HA H 4.66 0.01 1 940 . 197 PHE CA C 52.7 0.1 1 941 . 197 PHE CB C 35.0 0.1 1 942 . 197 PHE N N 115.7 0.1 1 943 . 198 VAL H H 7.58 0.01 1 944 . 198 VAL HA H 4.18 0.01 1 945 . 198 VAL CA C 57.2 0.1 1 946 . 198 VAL CB C 32.7 0.1 1 947 . 198 VAL N N 115.2 0.1 1 948 . 199 ILE H H 8.68 0.01 1 949 . 199 ILE HA H 4.84 0.01 1 950 . 199 ILE CA C 56.2 0.1 1 951 . 199 ILE CB C 33.9 0.1 1 952 . 199 ILE N N 125.2 0.1 1 953 . 200 ASP H H 9.13 0.01 1 954 . 200 ASP HA H 4.66 0.01 1 955 . 200 ASP CA C 49.7 0.1 1 956 . 200 ASP CB C 38.5 0.1 1 957 . 200 ASP N N 124.9 0.1 1 958 . 201 GLY H H 7.62 0.01 1 959 . 201 GLY HA2 H 3.99 0.01 1 960 . 201 GLY HA3 H 3.99 0.01 1 961 . 201 GLY CA C 42.9 0.1 1 962 . 201 GLY N N 104.1 0.1 1 963 . 202 ALA H H 9.94 0.01 1 964 . 202 ALA HA H 5.23 0.01 1 965 . 202 ALA CA C 49.9 0.1 1 966 . 202 ALA CB C 18.6 0.1 1 967 . 202 ALA N N 124.4 0.1 1 968 . 203 ASP H H 8.24 0.01 1 969 . 203 ASP HA H 4.57 0.01 1 970 . 203 ASP CA C 50.4 0.1 1 971 . 203 ASP CB C 37.4 0.1 1 972 . 203 ASP N N 118.5 0.1 1 973 . 204 GLY H H 7.54 0.01 1 974 . 204 GLY HA2 H 4.05 0.01 1 975 . 204 GLY HA3 H 4.05 0.01 1 976 . 204 GLY CA C 43.2 0.1 1 977 . 204 GLY N N 110.0 0.1 1 978 . 205 ARG H H 9.06 0.01 1 979 . 205 ARG HA H 4.52 0.01 1 980 . 205 ARG CA C 51.9 0.1 1 981 . 205 ARG CB C 25.7 0.1 1 982 . 205 ARG N N 122.5 0.1 1 983 . 206 ASN H H 8.44 0.01 1 984 . 206 ASN HA H 3.84 0.01 1 985 . 206 ASN CA C 53.4 0.1 1 986 . 206 ASN CB C 33.9 0.1 1 987 . 206 ASN N N 111.0 0.1 1 988 . 207 PHE H H 8.16 0.01 1 989 . 207 PHE HA H 4.75 0.01 1 990 . 207 PHE CA C 54.2 0.1 1 991 . 207 PHE CB C 37.4 0.1 1 992 . 207 PHE N N 115.7 0.1 1 993 . 208 TYR H H 9.96 0.01 1 994 . 208 TYR HA H 5.19 0.01 1 995 . 208 TYR CA C 54.7 0.1 1 996 . 208 TYR CB C 37.3 0.1 1 997 . 208 TYR N N 119.0 0.1 1 998 . 209 HIS H H 8.25 0.01 1 999 . 209 HIS HA H 3.84 0.01 1 1000 . 209 HIS CA C 48.9 0.1 1 1001 . 209 HIS CB C 23.4 0.1 1 1002 . 209 HIS N N 122.0 0.1 1 1003 . 210 VAL H H 8.07 0.01 1 1004 . 210 VAL HA H 3.99 0.01 1 1005 . 210 VAL CA C 57.7 0.1 1 1006 . 210 VAL CB C 32.7 0.1 1 1007 . 210 VAL N N 126.2 0.1 1 1008 . 211 ASN H H 8.46 0.01 1 1009 . 211 ASN HA H 5.28 0.01 1 1010 . 211 ASN CA C 53.2 0.1 1 1011 . 211 ASN CB C 37.3 0.1 1 1012 . 211 ASN N N 116.0 0.1 1 1013 . 212 TRP H H 8.53 0.01 1 1014 . 212 TRP HA H 4.72 0.01 1 1015 . 212 TRP CA C 51.2 0.1 1 1016 . 212 TRP CB C 28.0 0.1 1 1017 . 212 TRP N N 126.4 0.1 1 1018 . 213 GLY H H 8.04 0.01 1 1019 . 213 GLY HA2 H 4.36 0.01 1 1020 . 213 GLY HA3 H 4.36 0.01 1 1021 . 213 GLY CA C 42.4 0.1 1 1022 . 213 GLY N N 101.6 0.1 1 1023 . 214 TRP H H 8.81 0.01 1 1024 . 214 TRP HA H 4.72 0.01 1 1025 . 214 TRP CA C 50.7 0.1 1 1026 . 214 TRP CB C 24.5 0.1 1 1027 . 214 TRP N N 120.3 0.1 1 1028 . 215 GLY H H 8.31 0.01 1 1029 . 215 GLY HA2 H 3.87 0.01 1 1030 . 215 GLY HA3 H 3.87 0.01 1 1031 . 215 GLY CA C 43.4 0.1 1 1032 . 215 GLY N N 108.0 0.1 1 1033 . 216 GLY H H 8.63 0.01 1 1034 . 216 GLY HA2 H 3.90 0.01 1 1035 . 216 GLY HA3 H 3.90 0.01 1 1036 . 216 GLY CA C 41.9 0.1 1 1037 . 216 GLY N N 111.5 0.1 1 1038 . 217 VAL H H 7.18 0.01 1 1039 . 217 VAL HA H 3.84 0.01 1 1040 . 217 VAL CA C 62.5 0.1 1 1041 . 217 VAL CB C 28.0 0.1 1 1042 . 217 VAL N N 122.7 0.1 1 1043 . 218 SER H H 8.93 0.01 1 1044 . 218 SER HA H 4.19 0.01 1 1045 . 218 SER CA C 59.4 0.1 1 1046 . 218 SER CB C 62.0 0.1 1 1047 . 218 SER N N 114.7 0.1 1 1048 . 219 ASP H H 7.99 0.01 1 1049 . 219 ASP HA H 4.72 0.01 1 1050 . 219 ASP CA C 53.9 0.1 1 1051 . 219 ASP CB C 36.2 0.1 1 1052 . 219 ASP N N 126.4 0.1 1 1053 . 220 GLY H H 7.37 0.01 1 1054 . 220 GLY HA2 H 3.87 0.01 1 1055 . 220 GLY HA3 H 3.87 0.01 1 1056 . 220 GLY CA C 42.9 0.1 1 1057 . 220 GLY N N 104.3 0.1 1 1058 . 221 PHE H H 8.71 0.01 1 1059 . 221 PHE HA H 5.22 0.01 1 1060 . 221 PHE CA C 55.4 0.1 1 1061 . 221 PHE CB C 36.2 0.1 1 1062 . 221 PHE N N 119.5 0.1 1 1063 . 222 PHE H H 9.93 0.01 1 1064 . 222 PHE HA H 5.01 0.01 1 1065 . 222 PHE CA C 54.7 0.1 1 1066 . 222 PHE CB C 33.3 0.1 1 1067 . 222 PHE N N 120.7 0.1 1 1068 . 223 ARG H H 9.02 0.01 1 1069 . 223 ARG HA H 4.68 0.01 1 1070 . 223 ARG CA C 52.7 0.1 1 1071 . 223 ARG CB C 28.0 0.1 1 1072 . 223 ARG N N 122.1 0.1 1 1073 . 224 LEU H H 8.91 0.01 1 1074 . 224 LEU HA H 4.63 0.01 1 1075 . 224 LEU CA C 54.4 0.1 1 1076 . 224 LEU CB C 36.2 0.1 1 1077 . 224 LEU N N 118.0 0.1 1 1078 . 225 ASP H H 7.81 0.01 1 1079 . 225 ASP HA H 4.81 0.01 1 1080 . 225 ASP CA C 48.9 0.1 1 1081 . 225 ASP CB C 36.2 0.1 1 1082 . 225 ASP N N 111.1 0.1 1 1083 . 226 ALA H H 8.01 0.01 1 1084 . 226 ALA HA H 4.52 0.01 1 1085 . 226 ALA CA C 48.9 0.1 1 1086 . 226 ALA CB C 15.1 0.1 1 1087 . 226 ALA N N 126.7 0.1 1 1088 . 227 LEU H H 9.59 0.01 1 1089 . 227 LEU HA H 4.28 0.01 1 1090 . 227 LEU CA C 54.4 0.1 1 1091 . 227 LEU CB C 36.2 0.1 1 1092 . 227 LEU N N 127.2 0.1 1 1093 . 228 ASN H H 7.56 0.01 1 1094 . 228 ASN HA H 4.72 0.01 1 1095 . 228 ASN CA C 47.7 0.1 1 1096 . 228 ASN CB C 35.0 0.1 1 1097 . 228 ASN N N 119.5 0.1 1 1098 . 229 PRO HA H 4.49 0.01 1 1099 . 229 PRO CA C 59.9 0.1 1 1100 . 229 PRO CB C 26.8 0.1 1 1101 . 230 SER H H 8.84 0.01 1 1102 . 230 SER HA H 3.93 0.01 1 1103 . 230 SER CA C 56.9 0.1 1 1104 . 230 SER CB C 59.6 0.1 1 1105 . 230 SER N N 116.3 0.1 1 1106 . 231 ALA H H 7.48 0.01 1 1107 . 231 ALA HA H 4.19 0.01 1 1108 . 231 ALA CA C 49.2 0.1 1 1109 . 231 ALA CB C 15.1 0.1 1 1110 . 231 ALA N N 122.7 0.1 1 1111 . 232 LEU H H 7.92 0.01 1 1112 . 232 LEU HA H 4.69 0.01 1 1113 . 232 LEU CA C 54.2 0.1 1 1114 . 232 LEU CB C 33.9 0.1 1 1115 . 232 LEU N N 120.5 0.1 1 1116 . 233 GLY H H 8.31 0.01 1 1117 . 233 GLY HA2 H 3.87 0.01 1 1118 . 233 GLY HA3 H 3.87 0.01 1 1119 . 233 GLY CA C 43.4 0.1 1 1120 . 233 GLY N N 108.0 0.1 1 1121 . 234 THR H H 6.89 0.01 1 1122 . 234 THR CA C 59.70 0.01 1 1123 . 234 THR CB C 65.5 0.1 1 1124 . 234 THR N N 105.3 0.1 1 1125 . 235 GLY H H 7.93 0.01 1 1126 . 235 GLY HA2 H 3.78 0.01 1 1127 . 235 GLY HA3 H 4.05 0.01 1 1128 . 235 GLY CA C 41.2 0.1 1 1129 . 235 GLY N N 113.5 0.1 1 1130 . 236 GLY H H 8.27 0.01 1 1131 . 236 GLY HA2 H 3.70 0.01 1 1132 . 236 GLY HA3 H 3.96 0.01 1 1133 . 236 GLY CA C 43.7 0.1 1 1134 . 236 GLY N N 106.5 0.1 1 1135 . 237 GLY H H 8.31 0.01 1 1136 . 237 GLY HA2 H 3.87 0.01 1 1137 . 237 GLY HA3 H 3.87 0.01 1 1138 . 237 GLY CA C 43.4 0.1 1 1139 . 237 GLY N N 108.0 0.1 1 1140 . 238 ALA H H 8.14 0.01 1 1141 . 238 ALA HA H 4.34 0.01 1 1142 . 238 ALA CA C 48.9 0.1 1 1143 . 238 ALA CB C 15.0 0.1 1 1144 . 238 ALA N N 124.7 0.1 1 1145 . 239 GLY H H 8.25 0.01 1 1146 . 239 GLY HA2 H 3.46 0.01 1 1147 . 239 GLY HA3 H 3.84 0.01 1 1148 . 239 GLY CA C 43.4 0.1 1 1149 . 239 GLY N N 107.3 0.1 1 1150 . 240 GLY H H 7.52 0.01 1 1151 . 240 GLY HA2 H 3.43 0.01 1 1152 . 240 GLY HA3 H 3.84 0.01 1 1153 . 240 GLY CA C 42.1 0.1 1 1154 . 240 GLY N N 107.5 0.1 1 1155 . 241 PHE H H 7.69 0.01 1 1156 . 241 PHE HA H 4.54 0.01 1 1157 . 241 PHE CA C 53.9 0.1 1 1158 . 241 PHE CB C 33.9 0.1 1 1159 . 241 PHE N N 120.6 0.1 1 1160 . 242 ASN H H 8.11 0.01 1 1161 . 242 ASN HA H 4.93 0.01 1 1162 . 242 ASN CA C 51.9 0.1 1 1163 . 242 ASN CB C 36.2 0.1 1 1164 . 242 ASN N N 115.4 0.1 1 1165 . 243 GLY H H 8.89 0.01 1 1166 . 243 GLY HA2 H 3.73 0.01 1 1167 . 243 GLY HA3 H 4.52 0.01 1 1168 . 243 GLY CA C 41.4 0.1 1 1169 . 243 GLY N N 109.5 0.1 1 1170 . 244 TYR H H 8.58 0.01 1 1171 . 244 TYR HA H 3.93 0.01 1 1172 . 244 TYR CA C 55.7 0.1 1 1173 . 244 TYR CB C 32.7 0.1 1 1174 . 244 TYR N N 117.7 0.1 1 1175 . 246 SER H H 8.25 0.01 1 1176 . 246 SER HA H 5.13 0.01 1 1177 . 246 SER CA C 54.4 0.1 1 1178 . 246 SER CB C 62.0 0.1 1 1179 . 246 SER N N 113.8 0.1 1 1180 . 247 ALA H H 9.15 0.01 1 1181 . 247 ALA HA H 5.23 0.01 1 1182 . 247 ALA CA C 47.2 0.1 1 1183 . 247 ALA CB C 18.6 0.1 1 1184 . 247 ALA N N 118.7 0.1 1 1185 . 248 VAL H H 8.82 0.01 1 1186 . 248 VAL HA H 4.46 0.01 1 1187 . 248 VAL CA C 59.9 0.1 1 1188 . 248 VAL CB C 29.1 0.1 1 1189 . 248 VAL N N 119.4 0.1 1 1190 . 249 VAL H H 7.90 0.01 1 1191 . 249 VAL HA H 3.70 0.01 1 1192 . 249 VAL CA C 54.9 0.1 1 1193 . 249 VAL CB C 29.6 0.1 1 1194 . 249 VAL N N 117.7 0.1 1 1195 . 250 GLY H H 8.53 0.01 1 1196 . 250 GLY HA2 H 3.67 0.01 1 1197 . 250 GLY HA3 H 3.67 0.01 1 1198 . 250 GLY CA C 42.1 0.1 1 1199 . 250 GLY N N 106.8 0.1 1 1200 . 251 ILE H H 8.35 0.01 1 1201 . 251 ILE HA H 4.75 0.01 1 1202 . 251 ILE CA C 60.2 0.1 1 1203 . 251 ILE CB C 32.7 0.1 1 1204 . 251 ILE N N 117.2 0.1 1 1205 . 252 LYS H H 7.18 0.01 1 1206 . 252 LYS HA H 3.84 0.01 1 1207 . 252 LYS CA C 50.7 0.1 1 1208 . 252 LYS CB C 28.0 0.1 1 1209 . 252 LYS N N 122.7 0.1 1 stop_ save_