data_15121 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N resonance assignments for the 26kD human deubiquitinating enzyme UCH-L3 ; _BMRB_accession_number 15121 _BMRB_flat_file_name bmr15121.str _Entry_type original _Submission_date 2007-01-31 _Accession_date 2007-01-31 _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 Harris Richard . . 2 Hommel Ulrich . . 3 Driscoll Paul C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 186 "13C chemical shifts" 591 "15N chemical shifts" 186 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'complete entry citation' 2007-06-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone 1H, 13C, and 15N resonance assignments for the 26-kD human de-ubiquitinating enzyme UCH-L3' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636824 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Harris Richard . . 2 Eidhoff Ulf . . 3 Vinzenz Daniela . . 4 Renatus Martin . . 5 Gerhartz Bernd . . 6 Hommel Ulrich . . 7 Driscoll Paul C. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 51 _Page_last 53 _Year 2007 _Details . loop_ _Keyword 'NMR assignments' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name UCH-L3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UCH-L3 $UCH-L3 stop_ _System_molecular_weight 26182 _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UCH-L3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UCH-L3 _Molecular_mass 26182 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 230 _Mol_residue_sequence ; MEGQRWLPLEANPEVTNQFL KQLGLHPNWQFVDVYGMDPE LLSMVPRPVCAVLLLFPITE KYEVFRTEEEEKIKSQGQDV TSSVYFMKQTISNACGTIGL IHAIANNKDKMHFESGSTLK KFLEESVSMSPEERARYLEN YDAIRVTHETSAHEGQTEAP SIDEKVDLHFIALVHVDGHL YELDGRKPFPINHGETSDET LLEDAIEVCKKFMERDPDEL RFNAIALSAA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLY 4 GLN 5 ARG 6 TRP 7 LEU 8 PRO 9 LEU 10 GLU 11 ALA 12 ASN 13 PRO 14 GLU 15 VAL 16 THR 17 ASN 18 GLN 19 PHE 20 LEU 21 LYS 22 GLN 23 LEU 24 GLY 25 LEU 26 HIS 27 PRO 28 ASN 29 TRP 30 GLN 31 PHE 32 VAL 33 ASP 34 VAL 35 TYR 36 GLY 37 MET 38 ASP 39 PRO 40 GLU 41 LEU 42 LEU 43 SER 44 MET 45 VAL 46 PRO 47 ARG 48 PRO 49 VAL 50 CYS 51 ALA 52 VAL 53 LEU 54 LEU 55 LEU 56 PHE 57 PRO 58 ILE 59 THR 60 GLU 61 LYS 62 TYR 63 GLU 64 VAL 65 PHE 66 ARG 67 THR 68 GLU 69 GLU 70 GLU 71 GLU 72 LYS 73 ILE 74 LYS 75 SER 76 GLN 77 GLY 78 GLN 79 ASP 80 VAL 81 THR 82 SER 83 SER 84 VAL 85 TYR 86 PHE 87 MET 88 LYS 89 GLN 90 THR 91 ILE 92 SER 93 ASN 94 ALA 95 CYS 96 GLY 97 THR 98 ILE 99 GLY 100 LEU 101 ILE 102 HIS 103 ALA 104 ILE 105 ALA 106 ASN 107 ASN 108 LYS 109 ASP 110 LYS 111 MET 112 HIS 113 PHE 114 GLU 115 SER 116 GLY 117 SER 118 THR 119 LEU 120 LYS 121 LYS 122 PHE 123 LEU 124 GLU 125 GLU 126 SER 127 VAL 128 SER 129 MET 130 SER 131 PRO 132 GLU 133 GLU 134 ARG 135 ALA 136 ARG 137 TYR 138 LEU 139 GLU 140 ASN 141 TYR 142 ASP 143 ALA 144 ILE 145 ARG 146 VAL 147 THR 148 HIS 149 GLU 150 THR 151 SER 152 ALA 153 HIS 154 GLU 155 GLY 156 GLN 157 THR 158 GLU 159 ALA 160 PRO 161 SER 162 ILE 163 ASP 164 GLU 165 LYS 166 VAL 167 ASP 168 LEU 169 HIS 170 PHE 171 ILE 172 ALA 173 LEU 174 VAL 175 HIS 176 VAL 177 ASP 178 GLY 179 HIS 180 LEU 181 TYR 182 GLU 183 LEU 184 ASP 185 GLY 186 ARG 187 LYS 188 PRO 189 PHE 190 PRO 191 ILE 192 ASN 193 HIS 194 GLY 195 GLU 196 THR 197 SER 198 ASP 199 GLU 200 THR 201 LEU 202 LEU 203 GLU 204 ASP 205 ALA 206 ILE 207 GLU 208 VAL 209 CYS 210 LYS 211 LYS 212 PHE 213 MET 214 GLU 215 ARG 216 ASP 217 PRO 218 ASP 219 GLU 220 LEU 221 ARG 222 PHE 223 ASN 224 ALA 225 ILE 226 ALA 227 LEU 228 SER 229 ALA 230 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 1UCH "Deubiquitinating Enzyme Uch-L3 (Human) At 1.8 Angstrom Resolution" 100.00 230 100.00 100.00 6.96e-170 PDB 1XD3 "Crystal Structure Of Uchl3-Ubvme Complex" 100.00 230 100.00 100.00 6.96e-170 DBJ BAB20094 "UCH-L3 [Mus musculus]" 100.00 230 98.26 100.00 1.60e-167 DBJ BAB47136 "ubiqutin carboxyl-terminal hydrolase l3 [Rattus norvegicus]" 100.00 230 97.83 99.57 1.54e-166 DBJ BAC34161 "unnamed protein product [Mus musculus]" 62.17 211 97.20 99.30 3.65e-97 DBJ BAG36417 "unnamed protein product [Homo sapiens]" 100.00 230 100.00 100.00 6.96e-170 EMBL CAG33136 "UCHL3 [Homo sapiens]" 100.00 230 100.00 100.00 6.96e-170 EMBL CAH93427 "hypothetical protein [Pongo abelii]" 80.87 664 98.39 98.39 3.28e-125 GB AAA36791 "ubiquitin carboxyl-terminal hydrolase [Homo sapiens]" 100.00 230 100.00 100.00 6.96e-170 GB AAF64193 "ubiquitin C-terminal hydrolase L3 [Mus musculus]" 100.00 230 97.39 99.57 2.64e-166 GB AAH18125 "Ubiquitin carboxyl-terminal esterase L3 (ubiquitin thiolesterase) [Homo sapiens]" 100.00 230 100.00 100.00 6.96e-170 GB AAH48481 "Ubiquitin carboxyl-terminal esterase L3 (ubiquitin thiolesterase) [Mus musculus]" 100.00 230 98.26 100.00 1.60e-167 GB AAI10248 "Ubiquitin carboxyl-terminal esterase L3 (ubiquitin thiolesterase) [Bos taurus]" 100.00 230 99.13 99.57 1.24e-168 REF NP_001035631 "ubiquitin carboxyl-terminal hydrolase isozyme L3 [Bos taurus]" 100.00 230 99.13 99.57 1.24e-168 REF NP_001070695 "ubiquitin carboxyl-terminal hydrolase isozyme L3 [Sus scrofa]" 100.00 230 96.96 98.70 2.91e-164 REF NP_001103635 "ubiquitin carboxyl-terminal hydrolase isozyme L3 [Rattus norvegicus]" 100.00 230 97.83 99.57 1.54e-166 REF NP_001253095 "ubiquitin carboxyl-terminal hydrolase isozyme L3 [Macaca mulatta]" 100.00 230 99.13 99.57 3.35e-168 REF NP_001257881 "ubiquitin carboxyl-terminal hydrolase isozyme L3 isoform 1 [Homo sapiens]" 84.35 194 100.00 100.00 4.63e-139 SP P15374 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase isozyme L3; Short=UCH-L3; AltName: Full=Ubiquitin thioesterase L3" 100.00 230 100.00 100.00 6.96e-170 SP Q06AB3 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase isozyme L3; Short=UCH-L3; AltName: Full=Ubiquitin thioesterase L3" 100.00 230 96.96 98.70 2.91e-164 SP Q2TBG8 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase isozyme L3; Short=UCH-L3; AltName: Full=Ubiquitin thioesterase L3" 100.00 230 99.13 99.57 1.24e-168 SP Q91Y78 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase isozyme L3; Short=UCH-L3; AltName: Full=Ubiquitin thioesterase L3" 100.00 230 97.83 99.57 1.54e-166 SP Q9JKB1 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase isozyme L3; Short=UCH-L3; AltName: Full=Ubiquitin thioesterase L3" 100.00 230 98.26 100.00 1.60e-167 TPG DAA23822 "TPA: ubiquitin carboxyl-terminal hydrolase isozyme L3 [Bos taurus]" 100.00 230 99.13 99.57 1.24e-168 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UCH-L3 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $UCH-L3 'recombinant technology' . Escherichia coli BL21 DE3 pET28a 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 $UCH-L3 1 mM '[U-100% 13C; U-100% 15N; 80% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Saveframe_category software _Name ANSIG _Version . loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _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_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 25 . mM pH 7 . 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 'All chemical shifts referenced indirectly to DSS. 13C chemical shifts are not corrected for the 2H isotope affect.' 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 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 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_ _Software_label $ANSIG stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CA)CB' '3D HN(CO)CA' '3D HN(CA)CO' '3D HN(COCA)CB' 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 UCH-L3 _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 2 2 GLU CA C 56.863 0.400 1 2 2 2 GLU CB C 29.908 0.400 1 3 3 3 GLY H H 8.477 0.020 1 4 3 3 GLY CA C 45.294 0.400 1 5 3 3 GLY N N 110.098 0.100 1 6 4 4 GLN H H 8.173 0.020 1 7 4 4 GLN CA C 55.752 0.400 1 8 4 4 GLN CB C 29.203 0.400 1 9 4 4 GLN N N 119.766 0.100 1 10 5 5 ARG H H 8.218 0.020 1 11 5 5 ARG CA C 62.074 0.400 1 12 5 5 ARG CB C 29.576 0.400 1 13 5 5 ARG N N 115.662 0.100 1 14 13 13 PRO C C 176.416 0.400 1 15 13 13 PRO CA C 65.712 0.400 1 16 13 13 PRO CB C 31.483 0.400 1 17 14 14 GLU H H 8.051 0.020 1 18 14 14 GLU C C 179.825 0.400 1 19 14 14 GLU CA C 60.125 0.400 1 20 14 14 GLU CB C 28.843 0.400 1 21 14 14 GLU N N 117.273 0.100 1 22 15 15 VAL H H 7.497 0.020 1 23 15 15 VAL CA C 65.767 0.400 1 24 15 15 VAL CB C 31.405 0.400 1 25 15 15 VAL N N 119.689 0.100 1 26 16 16 THR C C 176.787 0.400 1 27 16 16 THR CA C 67.304 0.400 1 28 16 16 THR CB C 72.007 0.400 1 29 17 17 ASN H H 8.985 0.020 1 30 17 17 ASN C C 179.570 0.400 1 31 17 17 ASN CA C 56.388 0.400 1 32 17 17 ASN CB C 37.375 0.400 1 33 17 17 ASN N N 120.280 0.100 1 34 18 18 GLN H H 8.088 0.020 1 35 18 18 GLN C C 178.849 0.400 1 36 18 18 GLN CA C 59.201 0.400 1 37 18 18 GLN CB C 27.506 0.400 1 38 18 18 GLN N N 123.074 0.100 1 39 19 19 PHE H H 8.142 0.020 1 40 19 19 PHE C C 177.860 0.400 1 41 19 19 PHE CA C 59.950 0.400 1 42 19 19 PHE CB C 38.695 0.400 1 43 19 19 PHE N N 122.221 0.100 1 44 20 20 LEU H H 8.295 0.020 1 45 20 20 LEU C C 178.555 0.400 1 46 20 20 LEU CA C 58.591 0.400 1 47 20 20 LEU CB C 40.903 0.400 1 48 20 20 LEU N N 117.317 0.100 1 49 21 21 LYS H H 7.464 0.020 1 50 21 21 LYS C C 181.532 0.400 1 51 21 21 LYS CA C 59.570 0.400 1 52 21 21 LYS CB C 31.794 0.400 1 53 21 21 LYS N N 117.995 0.100 1 54 22 22 GLN H H 8.172 0.020 1 55 22 22 GLN C C 178.564 0.400 1 56 22 22 GLN CA C 59.031 0.400 1 57 22 22 GLN CB C 28.079 0.400 1 58 22 22 GLN N N 122.298 0.100 1 59 23 23 LEU H H 8.028 0.020 1 60 23 23 LEU C C 177.289 0.400 1 61 23 23 LEU CA C 55.283 0.400 1 62 23 23 LEU CB C 41.439 0.400 1 63 23 23 LEU N N 116.967 0.100 1 64 24 24 GLY H H 8.122 0.020 1 65 24 24 GLY C C 172.991 0.400 1 66 24 24 GLY CA C 46.662 0.400 1 67 24 24 GLY N N 108.035 0.100 1 68 25 25 LEU H H 7.947 0.020 1 69 25 25 LEU C C 177.864 0.400 1 70 25 25 LEU CA C 54.445 0.400 1 71 25 25 LEU CB C 41.749 0.400 1 72 25 25 LEU N N 122.098 0.100 1 73 26 26 HIS H H 8.791 0.020 1 74 26 26 HIS C C 176.544 0.400 1 75 26 26 HIS CA C 55.014 0.400 1 76 26 26 HIS CB C 30.169 0.400 1 77 26 26 HIS N N 125.598 0.100 1 78 27 27 PRO C C 175.186 0.400 1 79 27 27 PRO CA C 64.611 0.400 1 80 27 27 PRO CB C 28.470 0.400 1 81 28 28 ASN H H 8.657 0.020 1 82 28 28 ASN C C 174.112 0.400 1 83 28 28 ASN CA C 55.038 0.400 1 84 28 28 ASN CB C 37.304 0.400 1 85 28 28 ASN N N 119.175 0.100 1 86 29 29 TRP H H 7.222 0.020 1 87 29 29 TRP C C 175.763 0.400 1 88 29 29 TRP CA C 55.563 0.400 1 89 29 29 TRP CB C 31.598 0.400 1 90 29 29 TRP N N 117.859 0.100 1 91 30 30 GLN H H 9.690 0.020 1 92 30 30 GLN C C 175.360 0.400 1 93 30 30 GLN CA C 54.218 0.400 1 94 30 30 GLN CB C 33.068 0.400 1 95 30 30 GLN N N 121.168 0.100 1 96 31 31 PHE H H 10.742 0.020 1 97 31 31 PHE C C 177.110 0.400 1 98 31 31 PHE CA C 59.686 0.400 1 99 31 31 PHE CB C 39.971 0.400 1 100 31 31 PHE N N 123.441 0.100 1 101 32 32 VAL H H 9.326 0.020 1 102 32 32 VAL C C 174.920 0.400 1 103 32 32 VAL CA C 59.504 0.400 1 104 32 32 VAL CB C 35.489 0.400 1 105 32 32 VAL N N 115.458 0.100 1 106 33 33 ASP H H 8.583 0.020 1 107 33 33 ASP C C 175.203 0.400 1 108 33 33 ASP CA C 55.835 0.400 1 109 33 33 ASP CB C 42.031 0.400 1 110 33 33 ASP N N 121.757 0.100 1 111 34 34 VAL H H 7.624 0.020 1 112 34 34 VAL C C 176.281 0.400 1 113 34 34 VAL CA C 61.569 0.400 1 114 34 34 VAL CB C 30.672 0.400 1 115 34 34 VAL N N 119.549 0.100 1 116 35 35 TYR H H 8.426 0.020 1 117 35 35 TYR C C 176.417 0.400 1 118 35 35 TYR CA C 60.219 0.400 1 119 35 35 TYR CB C 38.057 0.400 1 120 35 35 TYR N N 124.226 0.100 1 121 36 36 GLY H H 7.692 0.020 1 122 36 36 GLY C C 171.449 0.400 1 123 36 36 GLY CA C 45.099 0.400 1 124 36 36 GLY N N 105.381 0.100 1 125 37 37 MET H H 8.228 0.020 1 126 37 37 MET C C 175.066 0.400 1 127 37 37 MET CA C 55.593 0.400 1 128 37 37 MET CB C 32.273 0.400 1 129 37 37 MET N N 113.484 0.100 1 130 38 38 ASP H H 7.489 0.020 1 131 38 38 ASP C C 174.966 0.400 1 132 38 38 ASP CA C 52.497 0.400 1 133 38 38 ASP CB C 41.326 0.400 1 134 38 38 ASP N N 118.687 0.100 1 135 39 39 PRO C C 179.087 0.400 1 136 39 39 PRO CA C 65.908 0.400 1 137 39 39 PRO CB C 31.924 0.400 1 138 40 40 GLU H H 8.872 0.020 1 139 40 40 GLU C C 178.994 0.400 1 140 40 40 GLU CA C 59.282 0.400 1 141 40 40 GLU CB C 28.642 0.400 1 142 40 40 GLU N N 117.201 0.100 1 143 41 41 LEU H H 7.694 0.020 1 144 41 41 LEU C C 180.672 0.400 1 145 41 41 LEU CA C 56.451 0.400 1 146 41 41 LEU CB C 40.525 0.400 1 147 41 41 LEU N N 119.388 0.100 1 148 42 42 LEU H H 8.139 0.020 1 149 42 42 LEU C C 180.397 0.400 1 150 42 42 LEU CA C 57.492 0.400 1 151 42 42 LEU CB C 40.605 0.400 1 152 42 42 LEU N N 120.612 0.100 1 153 43 43 SER H H 7.858 0.020 1 154 43 43 SER C C 174.633 0.400 1 155 43 43 SER CA C 61.096 0.400 1 156 43 43 SER CB C 63.174 0.400 1 157 43 43 SER N N 114.208 0.100 1 158 44 44 MET H H 7.411 0.020 1 159 44 44 MET C C 176.720 0.400 1 160 44 44 MET CA C 55.978 0.400 1 161 44 44 MET CB C 32.539 0.400 1 162 44 44 MET N N 117.914 0.100 1 163 45 45 VAL H H 7.411 0.020 1 164 45 45 VAL C C 174.530 0.400 1 165 45 45 VAL CA C 60.853 0.400 1 166 45 45 VAL CB C 32.082 0.400 1 167 45 45 VAL N N 123.496 0.100 1 168 48 48 PRO C C 174.449 0.400 1 169 48 48 PRO CA C 62.465 0.400 1 170 48 48 PRO CB C 35.924 0.400 1 171 49 49 VAL H H 8.493 0.020 1 172 49 49 VAL C C 176.309 0.400 1 173 49 49 VAL CA C 60.719 0.400 1 174 49 49 VAL CB C 34.967 0.400 1 175 49 49 VAL N N 118.816 0.100 1 176 50 50 CYS H H 8.744 0.020 1 177 50 50 CYS C C 174.279 0.400 1 178 50 50 CYS CA C 56.596 0.400 1 179 50 50 CYS CB C 29.921 0.400 1 180 50 50 CYS N N 116.874 0.100 1 181 51 51 ALA H H 7.450 0.020 1 182 51 51 ALA C C 174.978 0.400 1 183 51 51 ALA CA C 52.523 0.400 1 184 51 51 ALA CB C 22.400 0.400 1 185 51 51 ALA N N 122.419 0.100 1 186 52 52 VAL H H 8.655 0.020 1 187 52 52 VAL C C 173.933 0.400 1 188 52 52 VAL CA C 61.541 0.400 1 189 52 52 VAL CB C 35.724 0.400 1 190 52 52 VAL N N 120.498 0.100 1 191 57 57 PRO C C 175.861 0.400 1 192 57 57 PRO CA C 61.257 0.400 1 193 57 57 PRO CB C 31.011 0.400 1 194 58 58 ILE H H 8.325 0.020 1 195 58 58 ILE C C 176.075 0.400 1 196 58 58 ILE CA C 60.917 0.400 1 197 58 58 ILE CB C 35.614 0.400 1 198 58 58 ILE N N 121.816 0.100 1 199 59 59 THR H H 7.126 0.020 1 200 59 59 THR C C 175.345 0.400 1 201 59 59 THR CA C 59.714 0.400 1 202 59 59 THR CB C 72.031 0.400 1 203 59 59 THR N N 118.331 0.100 1 204 60 60 GLU H H 8.989 0.020 1 205 60 60 GLU C C 179.016 0.400 1 206 60 60 GLU CA C 59.885 0.400 1 207 60 60 GLU CB C 29.005 0.400 1 208 60 60 GLU N N 120.806 0.100 1 209 61 61 LYS H H 8.235 0.020 1 210 61 61 LYS C C 179.599 0.400 1 211 61 61 LYS CA C 59.554 0.400 1 212 61 61 LYS CB C 32.003 0.400 1 213 61 61 LYS N N 117.586 0.100 1 214 62 62 TYR H H 7.987 0.020 1 215 62 62 TYR C C 177.291 0.400 1 216 62 62 TYR CA C 62.058 0.400 1 217 62 62 TYR CB C 37.967 0.400 1 218 62 62 TYR N N 121.362 0.100 1 219 63 63 GLU H H 8.117 0.020 1 220 63 63 GLU C C 179.772 0.400 1 221 63 63 GLU CA C 58.517 0.400 1 222 63 63 GLU CB C 29.475 0.400 1 223 63 63 GLU N N 118.884 0.100 1 224 64 64 VAL H H 7.925 0.020 1 225 64 64 VAL C C 178.708 0.400 1 226 64 64 VAL CA C 66.457 0.400 1 227 64 64 VAL CB C 31.593 0.400 1 228 64 64 VAL N N 120.511 0.100 1 229 65 65 PHE H H 7.644 0.020 1 230 65 65 PHE C C 177.424 0.400 1 231 65 65 PHE CA C 61.344 0.400 1 232 65 65 PHE CB C 38.129 0.400 1 233 65 65 PHE N N 120.421 0.100 1 234 66 66 ARG H H 8.691 0.020 1 235 66 66 ARG C C 179.255 0.400 1 236 66 66 ARG CA C 59.782 0.400 1 237 66 66 ARG CB C 29.052 0.400 1 238 66 66 ARG N N 120.172 0.100 1 239 67 67 THR H H 7.865 0.020 1 240 67 67 THR C C 176.348 0.400 1 241 67 67 THR CA C 66.498 0.400 1 242 67 67 THR CB C 68.820 0.400 1 243 67 67 THR N N 115.783 0.100 1 244 68 68 GLU H H 7.599 0.020 1 245 68 68 GLU C C 179.044 0.400 1 246 68 68 GLU CA C 59.480 0.400 1 247 68 68 GLU CB C 29.040 0.400 1 248 68 68 GLU N N 123.167 0.100 1 249 69 69 GLU H H 8.489 0.020 1 250 69 69 GLU C C 177.766 0.400 1 251 69 69 GLU CA C 59.306 0.400 1 252 69 69 GLU CB C 30.474 0.400 1 253 69 69 GLU N N 121.844 0.100 1 254 70 70 GLU H H 8.082 0.020 1 255 70 70 GLU C C 178.603 0.400 1 256 70 70 GLU CA C 60.315 0.400 1 257 70 70 GLU CB C 29.228 0.400 1 258 70 70 GLU N N 119.237 0.100 1 259 71 71 GLU H H 7.732 0.020 1 260 71 71 GLU C C 179.394 0.400 1 261 71 71 GLU CA C 59.085 0.400 1 262 71 71 GLU CB C 29.015 0.400 1 263 71 71 GLU N N 117.295 0.100 1 264 72 72 LYS H H 8.065 0.020 1 265 72 72 LYS C C 179.028 0.400 1 266 72 72 LYS CA C 59.596 0.400 1 267 72 72 LYS CB C 31.665 0.400 1 268 72 72 LYS N N 121.422 0.100 1 269 73 73 ILE H H 8.338 0.020 1 270 73 73 ILE C C 179.660 0.400 1 271 73 73 ILE CA C 64.725 0.400 1 272 73 73 ILE CB C 36.865 0.400 1 273 73 73 ILE N N 120.009 0.100 1 274 74 74 LYS H H 8.387 0.020 1 275 74 74 LYS C C 178.457 0.400 1 276 74 74 LYS CA C 60.097 0.400 1 277 74 74 LYS CB C 31.871 0.400 1 278 74 74 LYS N N 120.321 0.100 1 279 75 75 SER H H 7.690 0.020 1 280 75 75 SER C C 175.831 0.400 1 281 75 75 SER CA C 60.511 0.400 1 282 75 75 SER CB C 63.893 0.400 1 283 75 75 SER N N 111.640 0.100 1 284 76 76 GLN H H 8.367 0.020 1 285 76 76 GLN C C 177.501 0.400 1 286 76 76 GLN CA C 56.833 0.400 1 287 76 76 GLN CB C 29.910 0.400 1 288 76 76 GLN N N 118.593 0.100 1 289 77 77 GLY H H 8.157 0.020 1 290 77 77 GLY C C 172.528 0.400 1 291 77 77 GLY CA C 44.469 0.400 1 292 77 77 GLY N N 108.687 0.100 1 293 78 78 GLN H H 7.757 0.020 1 294 78 78 GLN C C 173.843 0.400 1 295 78 78 GLN CA C 54.983 0.400 1 296 78 78 GLN CB C 29.500 0.400 1 297 78 78 GLN N N 113.709 0.100 1 298 79 79 ASP H H 8.613 0.020 1 299 79 79 ASP C C 175.536 0.400 1 300 79 79 ASP CA C 53.815 0.400 1 301 79 79 ASP CB C 41.449 0.400 1 302 79 79 ASP N N 122.113 0.100 1 303 80 80 VAL H H 8.131 0.020 1 304 80 80 VAL C C 175.834 0.400 1 305 80 80 VAL CA C 61.492 0.400 1 306 80 80 VAL CB C 33.384 0.400 1 307 80 80 VAL N N 123.003 0.100 1 308 81 81 THR H H 7.540 0.020 1 309 81 81 THR C C 175.356 0.400 1 310 81 81 THR CA C 61.379 0.400 1 311 81 81 THR CB C 68.361 0.400 1 312 81 81 THR N N 119.896 0.100 1 313 82 82 SER H H 8.650 0.020 1 314 82 82 SER C C 175.136 0.400 1 315 82 82 SER CA C 60.507 0.400 1 316 82 82 SER CB C 63.257 0.400 1 317 82 82 SER N N 121.312 0.100 1 318 83 83 SER H H 7.876 0.020 1 319 83 83 SER C C 175.022 0.400 1 320 83 83 SER CA C 59.098 0.400 1 321 83 83 SER CB C 63.414 0.400 1 322 83 83 SER N N 114.808 0.100 1 323 84 84 VAL H H 7.026 0.020 1 324 84 84 VAL C C 174.666 0.400 1 325 84 84 VAL CA C 63.030 0.400 1 326 84 84 VAL CB C 31.705 0.400 1 327 84 84 VAL N N 120.898 0.100 1 328 85 85 TYR H H 9.690 0.020 1 329 85 85 TYR C C 173.673 0.400 1 330 85 85 TYR CA C 58.551 0.400 1 331 85 85 TYR CB C 38.359 0.400 1 332 85 85 TYR N N 132.69 0.100 1 333 86 86 PHE H H 7.220 0.020 1 334 86 86 PHE C C 172.297 0.400 1 335 86 86 PHE CA C 54.764 0.400 1 336 86 86 PHE CB C 43.110 0.400 1 337 86 86 PHE N N 129.361 0.100 1 338 87 87 MET H H 11.595 0.020 1 339 87 87 MET C C 171.130 0.400 1 340 87 87 MET CA C 53.844 0.400 1 341 87 87 MET CB C 37.628 0.400 1 342 87 87 MET N N 132.71 0.100 1 343 88 88 LYS H H 5.979 0.020 1 344 88 88 LYS C C 174.168 0.400 1 345 88 88 LYS CA C 54.029 0.400 1 346 88 88 LYS CB C 32.598 0.400 1 347 88 88 LYS N N 115.480 0.100 1 348 89 89 GLN H H 7.799 0.020 1 349 89 89 GLN C C 176.119 0.400 1 350 89 89 GLN CA C 54.387 0.400 1 351 89 89 GLN CB C 30.066 0.400 1 352 89 89 GLN N N 116.583 0.100 1 353 98 98 ILE C C 176.818 0.400 1 354 98 98 ILE CA C 66.013 0.400 1 355 98 98 ILE CB C 38.200 0.400 1 356 99 99 GLY H H 7.751 0.020 1 357 99 99 GLY C C 175.048 0.400 1 358 99 99 GLY CA C 47.001 0.400 1 359 99 99 GLY N N 107.344 0.100 1 360 100 100 LEU H H 7.796 0.020 1 361 100 100 LEU C C 178.689 0.400 1 362 100 100 LEU CA C 58.632 0.400 1 363 100 100 LEU CB C 41.174 0.400 1 364 100 100 LEU N N 120.812 0.100 1 365 101 101 ILE H H 8.399 0.020 1 366 101 101 ILE C C 178.187 0.400 1 367 101 101 ILE CA C 66.976 0.400 1 368 101 101 ILE CB C 36.740 0.400 1 369 101 101 ILE N N 119.598 0.100 1 370 102 102 HIS H H 9.157 0.020 1 371 102 102 HIS C C 178.864 0.400 1 372 102 102 HIS CA C 60.690 0.400 1 373 102 102 HIS CB C 29.459 0.400 1 374 102 102 HIS N N 118.482 0.100 1 375 103 103 ALA H H 8.247 0.020 1 376 103 103 ALA C C 177.591 0.400 1 377 103 103 ALA CA C 55.210 0.400 1 378 103 103 ALA CB C 17.612 0.400 1 379 103 103 ALA N N 120.034 0.100 1 380 104 104 ILE H H 8.260 0.020 1 381 104 104 ILE C C 179.137 0.400 1 382 104 104 ILE CA C 62.677 0.400 1 383 104 104 ILE CB C 36.220 0.400 1 384 104 104 ILE N N 116.148 0.100 1 385 105 105 ALA H H 9.609 0.020 1 386 105 105 ALA C C 179.708 0.400 1 387 105 105 ALA CA C 55.340 0.400 1 388 105 105 ALA CB C 19.757 0.400 1 389 105 105 ALA N N 120.552 0.100 1 390 106 106 ASN H H 6.640 0.020 1 391 106 106 ASN C C 172.151 0.400 1 392 106 106 ASN CA C 55.129 0.400 1 393 106 106 ASN CB C 39.758 0.400 1 394 106 106 ASN N N 108.564 0.100 1 395 107 107 ASN H H 7.559 0.020 1 396 107 107 ASN C C 176.117 0.400 1 397 107 107 ASN CA C 53.679 0.400 1 398 107 107 ASN CB C 41.826 0.400 1 399 107 107 ASN N N 118.097 0.100 1 400 108 108 LYS H H 7.283 0.020 1 401 108 108 LYS C C 177.500 0.400 1 402 108 108 LYS CA C 61.335 0.400 1 403 108 108 LYS CB C 31.974 0.400 1 404 108 108 LYS N N 120.736 0.100 1 405 109 109 ASP H H 8.742 0.020 1 406 109 109 ASP C C 176.996 0.400 1 407 109 109 ASP CA C 56.216 0.400 1 408 109 109 ASP CB C 39.927 0.400 1 409 109 109 ASP N N 116.484 0.100 1 410 110 110 LYS H H 7.871 0.020 1 411 110 110 LYS C C 177.031 0.400 1 412 110 110 LYS CA C 56.294 0.400 1 413 110 110 LYS CB C 33.673 0.400 1 414 110 110 LYS N N 116.499 0.100 1 415 111 111 MET H H 7.140 0.020 1 416 111 111 MET C C 175.051 0.400 1 417 111 111 MET CA C 53.301 0.400 1 418 111 111 MET CB C 34.250 0.400 1 419 111 111 MET N N 118.148 0.100 1 420 112 112 HIS H H 9.058 0.020 1 421 112 112 HIS C C 173.517 0.400 1 422 112 112 HIS CA C 54.243 0.400 1 423 112 112 HIS CB C 31.489 0.400 1 424 112 112 HIS N N 120.408 0.100 1 425 113 113 PHE H H 8.934 0.020 1 426 113 113 PHE C C 176.773 0.400 1 427 113 113 PHE CA C 57.270 0.400 1 428 113 113 PHE CB C 41.346 0.400 1 429 113 113 PHE N N 122.214 0.100 1 430 114 114 GLU H H 9.197 0.020 1 431 114 114 GLU C C 178.116 0.400 1 432 114 114 GLU CA C 55.679 0.400 1 433 114 114 GLU CB C 30.220 0.400 1 434 114 114 GLU N N 122.211 0.100 1 435 116 116 GLY C C 174.395 0.400 1 436 116 116 GLY CA C 45.200 0.400 1 437 117 117 SER H H 7.402 0.020 1 438 117 117 SER C C 177.302 0.400 1 439 117 117 SER CA C 58.027 0.400 1 440 117 117 SER CB C 64.456 0.400 1 441 117 117 SER N N 112.291 0.100 1 442 118 118 THR H H 9.070 0.020 1 443 118 118 THR C C 177.362 0.400 1 444 118 118 THR CA C 64.985 0.400 1 445 118 118 THR CB C 68.657 0.400 1 446 118 118 THR N N 125.828 0.100 1 447 119 119 LEU H H 7.722 0.020 1 448 119 119 LEU C C 177.031 0.400 1 449 119 119 LEU CA C 57.124 0.400 1 450 119 119 LEU CB C 41.704 0.400 1 451 119 119 LEU N N 121.845 0.100 1 452 120 120 LYS H H 7.859 0.020 1 453 120 120 LYS C C 177.519 0.400 1 454 120 120 LYS CA C 59.633 0.400 1 455 120 120 LYS CB C 32.147 0.400 1 456 120 120 LYS N N 120.027 0.100 1 457 121 121 LYS H H 6.963 0.020 1 458 121 121 LYS C C 177.437 0.400 1 459 121 121 LYS CA C 59.481 0.400 1 460 121 121 LYS CB C 31.874 0.400 1 461 121 121 LYS N N 116.833 0.100 1 462 122 122 PHE H H 7.794 0.020 1 463 122 122 PHE C C 179.792 0.400 1 464 122 122 PHE CA C 61.854 0.400 1 465 122 122 PHE CB C 39.407 0.400 1 466 122 122 PHE N N 119.140 0.100 1 467 123 123 LEU H H 8.538 0.020 1 468 123 123 LEU C C 178.807 0.400 1 469 123 123 LEU CA C 57.864 0.400 1 470 123 123 LEU CB C 40.032 0.400 1 471 123 123 LEU N N 120.152 0.100 1 472 124 124 GLU H H 8.193 0.020 1 473 124 124 GLU C C 180.057 0.400 1 474 124 124 GLU CA C 59.196 0.400 1 475 124 124 GLU CB C 28.819 0.400 1 476 124 124 GLU N N 119.121 0.100 1 477 125 125 GLU H H 8.298 0.020 1 478 125 125 GLU C C 178.049 0.400 1 479 125 125 GLU CA C 57.873 0.400 1 480 125 125 GLU CB C 29.679 0.400 1 481 125 125 GLU N N 116.365 0.100 1 482 126 126 SER H H 7.564 0.020 1 483 126 126 SER C C 177.258 0.400 1 484 126 126 SER CA C 57.871 0.400 1 485 126 126 SER CB C 65.266 0.400 1 486 126 126 SER N N 109.251 0.100 1 487 127 127 VAL H H 7.295 0.020 1 488 127 127 VAL C C 175.771 0.400 1 489 127 127 VAL CA C 66.457 0.400 1 490 127 127 VAL CB C 31.528 0.400 1 491 127 127 VAL N N 125.913 0.100 1 492 128 128 SER H H 8.297 0.020 1 493 128 128 SER C C 174.048 0.400 1 494 128 128 SER CA C 57.849 0.400 1 495 128 128 SER CB C 63.367 0.400 1 496 128 128 SER N N 115.371 0.100 1 497 129 129 MET H H 6.772 0.020 1 498 129 129 MET C C 175.190 0.400 1 499 129 129 MET CA C 55.674 0.400 1 500 129 129 MET CB C 35.388 0.400 1 501 129 129 MET N N 120.754 0.100 1 502 130 130 SER H H 8.882 0.020 1 503 130 130 SER C C 173.607 0.400 1 504 130 130 SER CA C 56.719 0.400 1 505 130 130 SER CB C 63.134 0.400 1 506 130 130 SER N N 116.569 0.100 1 507 131 131 PRO C C 179.472 0.400 1 508 131 131 PRO CA C 67.049 0.400 1 509 131 131 PRO CB C 32.274 0.400 1 510 132 132 GLU H H 8.766 0.020 1 511 132 132 GLU C C 179.050 0.400 1 512 132 132 GLU CA C 60.144 0.400 1 513 132 132 GLU CB C 28.960 0.400 1 514 132 132 GLU N N 117.069 0.100 1 515 133 133 GLU H H 7.932 0.020 1 516 133 133 GLU C C 180.114 0.400 1 517 133 133 GLU CA C 59.185 0.400 1 518 133 133 GLU CB C 29.371 0.400 1 519 133 133 GLU N N 122.341 0.100 1 520 134 134 ARG H H 8.930 0.020 1 521 134 134 ARG C C 177.447 0.400 1 522 134 134 ARG CA C 60.077 0.400 1 523 134 134 ARG CB C 30.665 0.400 1 524 134 134 ARG N N 119.257 0.100 1 525 135 135 ALA H H 7.092 0.020 1 526 135 135 ALA C C 179.680 0.400 1 527 135 135 ALA CA C 55.277 0.400 1 528 135 135 ALA CB C 18.961 0.400 1 529 135 135 ALA N N 120.229 0.100 1 530 136 136 ARG H H 7.337 0.020 1 531 136 136 ARG C C 178.726 0.400 1 532 136 136 ARG CA C 58.766 0.400 1 533 136 136 ARG CB C 29.502 0.400 1 534 136 136 ARG N N 116.715 0.100 1 535 137 137 TYR H H 8.602 0.020 1 536 137 137 TYR C C 178.833 0.400 1 537 137 137 TYR CA C 60.501 0.400 1 538 137 137 TYR CB C 38.689 0.400 1 539 137 137 TYR N N 121.359 0.100 1 540 138 138 LEU H H 8.377 0.020 1 541 138 138 LEU C C 178.966 0.400 1 542 138 138 LEU CA C 58.241 0.400 1 543 138 138 LEU CB C 40.668 0.400 1 544 138 138 LEU N N 117.996 0.100 1 545 139 139 GLU H H 7.882 0.020 1 546 139 139 GLU C C 177.557 0.400 1 547 139 139 GLU CA C 60.216 0.400 1 548 139 139 GLU CB C 29.458 0.400 1 549 139 139 GLU N N 116.751 0.100 1 550 140 140 ASN H H 7.244 0.020 1 551 140 140 ASN C C 174.248 0.400 1 552 140 140 ASN CA C 53.149 0.400 1 553 140 140 ASN CB C 39.969 0.400 1 554 140 140 ASN N N 113.113 0.100 1 555 141 141 TYR H H 7.665 0.020 1 556 141 141 TYR C C 175.624 0.400 1 557 141 141 TYR CA C 58.463 0.400 1 558 141 141 TYR CB C 36.769 0.400 1 559 141 141 TYR N N 124.248 0.100 1 560 142 142 ASP H H 7.939 0.020 1 561 142 142 ASP C C 176.678 0.400 1 562 142 142 ASP CA C 56.846 0.400 1 563 142 142 ASP CB C 40.822 0.400 1 564 142 142 ASP N N 125.398 0.100 1 565 143 143 ALA H H 7.654 0.020 1 566 143 143 ALA C C 178.212 0.400 1 567 143 143 ALA CA C 53.729 0.400 1 568 143 143 ALA CB C 18.584 0.400 1 569 143 143 ALA N N 118.214 0.100 1 570 144 144 ILE H H 7.394 0.020 1 571 144 144 ILE C C 174.575 0.400 1 572 144 144 ILE CA C 60.735 0.400 1 573 144 144 ILE CB C 37.786 0.400 1 574 144 144 ILE N N 114.806 0.100 1 575 145 145 ARG H H 7.511 0.020 1 576 145 145 ARG C C 175.431 0.400 1 577 145 145 ARG CA C 55.507 0.400 1 578 145 145 ARG CB C 30.735 0.400 1 579 145 145 ARG N N 122.102 0.100 1 580 146 146 VAL H H 7.810 0.020 1 581 146 146 VAL C C 176.155 0.400 1 582 146 146 VAL CA C 62.402 0.400 1 583 146 146 VAL CB C 32.039 0.400 1 584 146 146 VAL N N 120.755 0.100 1 585 147 147 THR H H 8.180 0.020 1 586 147 147 THR C C 174.126 0.400 1 587 147 147 THR CA C 61.693 0.400 1 588 147 147 THR CB C 69.917 0.400 1 589 147 147 THR N N 117.182 0.100 1 590 148 148 HIS C C 174.810 0.400 1 591 148 148 HIS CA C 56.203 0.400 1 592 148 148 HIS CB C 30.743 0.400 1 593 149 149 GLU H H 8.433 0.020 1 594 149 149 GLU C C 176.634 0.400 1 595 149 149 GLU CA C 56.754 0.400 1 596 149 149 GLU CB C 29.694 0.400 1 597 149 149 GLU N N 122.588 0.100 1 598 150 150 THR H H 8.217 0.020 1 599 150 150 THR C C 174.470 0.400 1 600 150 150 THR CA C 62.086 0.400 1 601 150 150 THR CB C 69.784 0.400 1 602 150 150 THR N N 115.457 0.100 1 603 151 151 SER H H 8.284 0.020 1 604 151 151 SER C C 174.328 0.400 1 605 151 151 SER CA C 58.473 0.400 1 606 151 151 SER CB C 63.997 0.400 1 607 151 151 SER N N 117.804 0.100 1 608 152 152 ALA H H 8.266 0.020 1 609 152 152 ALA C C 177.544 0.400 1 610 152 152 ALA CA C 52.705 0.400 1 611 152 152 ALA CB C 18.796 0.400 1 612 152 152 ALA N N 125.476 0.100 1 613 153 153 HIS H H 8.200 0.020 1 614 153 153 HIS C C 175.104 0.400 1 615 153 153 HIS CA C 55.837 0.400 1 616 153 153 HIS CB C 31.942 0.400 1 617 153 153 HIS N N 117.794 0.100 1 618 157 157 THR C C 174.414 0.400 1 619 157 157 THR CA C 62.042 0.400 1 620 157 157 THR CB C 69.864 0.400 1 621 158 158 GLU H H 8.378 0.020 1 622 158 158 GLU C C 175.735 0.400 1 623 158 158 GLU CA C 56.254 0.400 1 624 158 158 GLU CB C 30.143 0.400 1 625 158 158 GLU N N 123.182 0.100 1 626 159 159 ALA H H 8.317 0.020 1 627 159 159 ALA C C 175.421 0.400 1 628 159 159 ALA CA C 50.468 0.400 1 629 159 159 ALA CB C 17.924 0.400 1 630 159 159 ALA N N 126.492 0.100 1 631 160 160 PRO C C 176.968 0.400 1 632 160 160 PRO CA C 63.035 0.400 1 633 160 160 PRO CB C 31.741 0.400 1 634 161 161 SER H H 8.381 0.020 1 635 161 161 SER C C 174.855 0.400 1 636 161 161 SER CA C 58.153 0.400 1 637 161 161 SER CB C 63.946 0.400 1 638 161 161 SER N N 116.219 0.100 1 639 162 162 ILE H H 8.170 0.020 1 640 162 162 ILE C C 175.902 0.400 1 641 162 162 ILE CA C 61.308 0.400 1 642 162 162 ILE CB C 38.552 0.400 1 643 162 162 ILE N N 122.038 0.100 1 644 163 163 ASP H H 8.258 0.020 1 645 163 163 ASP C C 176.107 0.400 1 646 163 163 ASP CA C 54.489 0.400 1 647 163 163 ASP CB C 41.225 0.400 1 648 163 163 ASP N N 123.354 0.100 1 649 164 164 GLU H H 8.207 0.020 1 650 164 164 GLU C C 176.192 0.400 1 651 164 164 GLU CA C 56.576 0.400 1 652 164 164 GLU CB C 30.001 0.400 1 653 164 164 GLU N N 121.360 0.100 1 654 165 165 LYS H H 8.291 0.020 1 655 165 165 LYS C C 176.154 0.400 1 656 165 165 LYS CA C 56.224 0.400 1 657 165 165 LYS CB C 32.346 0.400 1 658 165 165 LYS N N 122.500 0.100 1 659 166 166 VAL H H 7.990 0.020 1 660 166 166 VAL C C 175.139 0.400 1 661 166 166 VAL CA C 61.628 0.400 1 662 166 166 VAL CB C 32.924 0.400 1 663 166 166 VAL N N 121.249 0.100 1 664 167 167 ASP H H 8.552 0.020 1 665 167 167 ASP C C 174.583 0.400 1 666 167 167 ASP CA C 54.002 0.400 1 667 167 167 ASP CB C 40.922 0.400 1 668 167 167 ASP N N 125.129 0.100 1 669 168 168 LEU H H 7.351 0.020 1 670 168 168 LEU C C 174.636 0.400 1 671 168 168 LEU CA C 53.865 0.400 1 672 168 168 LEU CB C 43.633 0.400 1 673 168 168 LEU N N 120.698 0.100 1 674 169 169 HIS C C 172.681 0.400 1 675 169 169 HIS CA C 53.996 0.400 1 676 169 169 HIS CB C 34.577 0.400 1 677 170 170 PHE H H 6.146 0.020 1 678 170 170 PHE CA C 55.974 0.400 1 679 170 170 PHE CB C 44.400 0.400 1 680 170 170 PHE N N 120.378 0.100 1 681 171 171 ILE H H 8.796 0.020 1 682 171 171 ILE C C 173.681 0.400 1 683 171 171 ILE CA C 59.995 0.400 1 684 171 171 ILE CB C 42.945 0.400 1 685 171 171 ILE N N 111.369 0.100 1 686 172 172 ALA H H 7.749 0.020 1 687 172 172 ALA C C 175.599 0.400 1 688 172 172 ALA CA C 50.402 0.400 1 689 172 172 ALA CB C 22.662 0.400 1 690 172 172 ALA N N 120.494 0.100 1 691 173 173 LEU H H 9.228 0.020 1 692 173 173 LEU C C 176.319 0.400 1 693 173 173 LEU CA C 54.309 0.400 1 694 173 173 LEU CB C 43.583 0.400 1 695 173 173 LEU N N 122.876 0.100 1 696 174 174 VAL H H 8.490 0.020 1 697 174 174 VAL C C 172.756 0.400 1 698 174 174 VAL CA C 59.110 0.400 1 699 174 174 VAL CB C 35.804 0.400 1 700 174 174 VAL N N 110.947 0.100 1 701 175 175 HIS H H 9.167 0.020 1 702 175 175 HIS C C 174.854 0.400 1 703 175 175 HIS CA C 53.798 0.400 1 704 175 175 HIS CB C 30.130 0.400 1 705 175 175 HIS N N 122.537 0.100 1 706 176 176 VAL H H 8.937 0.020 1 707 176 176 VAL C C 175.877 0.400 1 708 176 176 VAL CA C 62.055 0.400 1 709 176 176 VAL CB C 34.871 0.400 1 710 176 176 VAL N N 126.657 0.100 1 711 177 177 ASP H H 9.249 0.020 1 712 177 177 ASP C C 175.914 0.400 1 713 177 177 ASP CA C 55.394 0.400 1 714 177 177 ASP CB C 39.993 0.400 1 715 177 177 ASP N N 127.833 0.100 1 716 178 178 GLY H H 9.001 0.020 1 717 178 178 GLY C C 174.757 0.400 1 718 178 178 GLY CA C 45.533 0.400 1 719 178 178 GLY N N 106.382 0.100 1 720 179 179 HIS H H 7.993 0.020 1 721 179 179 HIS C C 171.355 0.400 1 722 179 179 HIS CA C 55.053 0.400 1 723 179 179 HIS CB C 31.734 0.400 1 724 179 179 HIS N N 116.922 0.100 1 725 180 180 LEU H H 8.831 0.020 1 726 180 180 LEU C C 174.479 0.400 1 727 180 180 LEU CA C 53.236 0.400 1 728 180 180 LEU CB C 42.049 0.400 1 729 180 180 LEU N N 124.795 0.100 1 730 181 181 TYR H H 9.303 0.020 1 731 181 181 TYR C C 175.399 0.400 1 732 181 181 TYR CA C 57.393 0.400 1 733 181 181 TYR CB C 41.071 0.400 1 734 181 181 TYR N N 122.926 0.100 1 735 182 182 GLU H H 9.374 0.020 1 736 182 182 GLU C C 175.953 0.400 1 737 182 182 GLU CA C 54.168 0.400 1 738 182 182 GLU CB C 32.144 0.400 1 739 182 182 GLU N N 122.282 0.100 1 740 183 183 LEU H H 9.744 0.020 1 741 183 183 LEU C C 174.219 0.400 1 742 183 183 LEU CA C 53.856 0.400 1 743 183 183 LEU CB C 39.776 0.400 1 744 183 183 LEU N N 129.516 0.100 1 745 184 184 ASP H H 9.618 0.020 1 746 184 184 ASP C C 177.818 0.400 1 747 184 184 ASP CA C 53.754 0.400 1 748 184 184 ASP CB C 43.103 0.400 1 749 184 184 ASP N N 128.924 0.100 1 750 185 185 GLY H H 9.309 0.020 1 751 185 185 GLY C C 176.711 0.400 1 752 185 185 GLY CA C 47.549 0.400 1 753 185 185 GLY N N 112.393 0.100 1 754 186 186 ARG H H 9.201 0.020 1 755 186 186 ARG C C 177.585 0.400 1 756 186 186 ARG CA C 57.695 0.400 1 757 186 186 ARG CB C 29.803 0.400 1 758 186 186 ARG N N 120.287 0.100 1 759 187 187 LYS H H 8.054 0.020 1 760 187 187 LYS C C 175.388 0.400 1 761 187 187 LYS CA C 55.683 0.400 1 762 187 187 LYS CB C 32.517 0.400 1 763 187 187 LYS N N 119.932 0.100 1 764 190 190 PRO C C 173.812 0.400 1 765 190 190 PRO CA C 62.463 0.400 1 766 190 190 PRO CB C 33.054 0.400 1 767 191 191 ILE H H 8.502 0.020 1 768 191 191 ILE C C 175.581 0.400 1 769 191 191 ILE CA C 58.231 0.400 1 770 191 191 ILE CB C 38.007 0.400 1 771 191 191 ILE N N 119.156 0.100 1 772 192 192 ASN H H 8.351 0.020 1 773 192 192 ASN C C 176.073 0.400 1 774 192 192 ASN CA C 52.465 0.400 1 775 192 192 ASN CB C 38.279 0.400 1 776 192 192 ASN N N 125.150 0.100 1 777 193 193 HIS H H 9.428 0.020 1 778 193 193 HIS C C 175.353 0.400 1 779 193 193 HIS CA C 57.752 0.400 1 780 193 193 HIS CB C 31.748 0.400 1 781 193 193 HIS N N 126.189 0.100 1 782 194 194 GLY H H 8.794 0.020 1 783 194 194 GLY C C 172.889 0.400 1 784 194 194 GLY CA C 44.028 0.400 1 785 194 194 GLY N N 109.780 0.100 1 786 195 195 GLU H H 8.458 0.020 1 787 195 195 GLU C C 176.958 0.400 1 788 195 195 GLU CA C 57.000 0.400 1 789 195 195 GLU CB C 30.361 0.400 1 790 195 195 GLU N N 118.496 0.100 1 791 196 196 THR H H 7.478 0.020 1 792 196 196 THR C C 171.495 0.400 1 793 196 196 THR CA C 60.627 0.400 1 794 196 196 THR CB C 67.911 0.400 1 795 196 196 THR N N 114.625 0.100 1 796 197 197 SER H H 8.642 0.020 1 797 197 197 SER C C 173.167 0.400 1 798 197 197 SER CA C 56.380 0.400 1 799 197 197 SER CB C 67.302 0.400 1 800 197 197 SER N N 112.929 0.100 1 801 198 198 ASP H H 8.605 0.020 1 802 198 198 ASP C C 178.401 0.400 1 803 198 198 ASP CA C 57.767 0.400 1 804 198 198 ASP CB C 40.359 0.400 1 805 198 198 ASP N N 117.873 0.100 1 806 199 199 GLU H H 8.275 0.020 1 807 199 199 GLU C C 178.387 0.400 1 808 199 199 GLU CA C 59.049 0.400 1 809 199 199 GLU CB C 29.918 0.400 1 810 199 199 GLU N N 115.549 0.100 1 811 200 200 THR H H 7.214 0.020 1 812 200 200 THR C C 173.686 0.400 1 813 200 200 THR CA C 61.315 0.400 1 814 200 200 THR CB C 68.772 0.400 1 815 200 200 THR N N 107.795 0.100 1 816 201 201 LEU H H 6.941 0.020 1 817 201 201 LEU C C 178.230 0.400 1 818 201 201 LEU CA C 58.463 0.400 1 819 201 201 LEU CB C 40.169 0.400 1 820 201 201 LEU N N 123.614 0.100 1 821 202 202 LEU H H 8.638 0.020 1 822 202 202 LEU C C 177.308 0.400 1 823 202 202 LEU CA C 59.085 0.400 1 824 202 202 LEU CB C 40.214 0.400 1 825 202 202 LEU N N 116.500 0.100 1 826 203 203 GLU H H 9.121 0.020 1 827 203 203 GLU C C 179.771 0.400 1 828 203 203 GLU CA C 61.815 0.400 1 829 203 203 GLU CB C 27.709 0.400 1 830 203 203 GLU N N 118.028 0.100 1 831 204 204 ASP H H 8.725 0.020 1 832 204 204 ASP C C 179.335 0.400 1 833 204 204 ASP CA C 57.421 0.400 1 834 204 204 ASP CB C 39.110 0.400 1 835 204 204 ASP N N 121.058 0.100 1 836 205 205 ALA H H 9.507 0.020 1 837 205 205 ALA C C 180.570 0.400 1 838 205 205 ALA CA C 54.969 0.400 1 839 205 205 ALA CB C 17.831 0.400 1 840 205 205 ALA N N 123.484 0.100 1 841 206 206 ILE H H 8.738 0.020 1 842 206 206 ILE C C 178.038 0.400 1 843 206 206 ILE CA C 62.335 0.400 1 844 206 206 ILE CB C 34.234 0.400 1 845 206 206 ILE N N 121.012 0.100 1 846 207 207 GLU H H 7.711 0.020 1 847 207 207 GLU C C 179.699 0.400 1 848 207 207 GLU CA C 59.678 0.400 1 849 207 207 GLU CB C 28.379 0.400 1 850 207 207 GLU N N 119.979 0.100 1 851 208 208 VAL H H 7.045 0.020 1 852 208 208 VAL C C 178.044 0.400 1 853 208 208 VAL CA C 66.839 0.400 1 854 208 208 VAL CB C 30.182 0.400 1 855 208 208 VAL N N 119.572 0.100 1 856 209 209 CYS H H 7.903 0.020 1 857 209 209 CYS C C 176.971 0.400 1 858 209 209 CYS CA C 64.019 0.400 1 859 209 209 CYS CB C 26.457 0.400 1 860 209 209 CYS N N 118.259 0.100 1 861 210 210 LYS H H 8.520 0.020 1 862 210 210 LYS C C 179.082 0.400 1 863 210 210 LYS CA C 60.089 0.400 1 864 210 210 LYS CB C 31.674 0.400 1 865 210 210 LYS N N 118.353 0.100 1 866 211 211 LYS H H 7.477 0.020 1 867 211 211 LYS C C 179.673 0.400 1 868 211 211 LYS CA C 59.219 0.400 1 869 211 211 LYS CB C 31.202 0.400 1 870 211 211 LYS N N 119.604 0.100 1 871 212 212 PHE H H 7.792 0.020 1 872 212 212 PHE C C 178.838 0.400 1 873 212 212 PHE CA C 60.414 0.400 1 874 212 212 PHE CB C 38.079 0.400 1 875 212 212 PHE N N 119.195 0.100 1 876 213 213 MET H H 7.363 0.020 1 877 213 213 MET C C 178.533 0.400 1 878 213 213 MET CA C 58.790 0.400 1 879 213 213 MET CB C 32.573 0.400 1 880 213 213 MET N N 117.655 0.100 1 881 214 214 GLU H H 7.829 0.020 1 882 214 214 GLU C C 177.983 0.400 1 883 214 214 GLU CA C 58.157 0.400 1 884 214 214 GLU CB C 29.416 0.400 1 885 214 214 GLU N N 117.230 0.100 1 886 215 215 ARG H H 7.045 0.020 1 887 215 215 ARG C C 175.824 0.400 1 888 215 215 ARG CA C 57.530 0.400 1 889 215 215 ARG CB C 30.103 0.400 1 890 215 215 ARG N N 115.398 0.100 1 891 216 216 ASP H H 7.093 0.020 1 892 216 216 ASP C C 173.514 0.400 1 893 216 216 ASP CA C 51.621 0.400 1 894 216 216 ASP CB C 41.640 0.400 1 895 216 216 ASP N N 117.596 0.100 1 896 217 217 PRO C C 177.670 0.400 1 897 217 217 PRO CA C 64.682 0.400 1 898 217 217 PRO CB C 31.851 0.400 1 899 218 218 ASP H H 8.419 0.020 1 900 218 218 ASP C C 176.023 0.400 1 901 218 218 ASP CA C 54.921 0.400 1 902 218 218 ASP CB C 41.226 0.400 1 903 218 218 ASP N N 117.113 0.100 1 904 219 219 GLU H H 7.844 0.020 1 905 219 219 GLU C C 175.411 0.400 1 906 219 219 GLU CA C 55.988 0.400 1 907 219 219 GLU CB C 30.817 0.400 1 908 219 219 GLU N N 121.393 0.100 1 909 220 220 LEU H H 8.281 0.020 1 910 220 220 LEU C C 179.336 0.400 1 911 220 220 LEU CA C 56.574 0.400 1 912 220 220 LEU CB C 42.416 0.400 1 913 220 220 LEU N N 122.218 0.100 1 914 221 221 ARG H H 8.291 0.020 1 915 221 221 ARG C C 173.571 0.400 1 916 221 221 ARG CA C 56.288 0.400 1 917 221 221 ARG CB C 28.392 0.400 1 918 221 221 ARG N N 122.518 0.100 1 919 222 222 PHE H H 7.744 0.020 1 920 222 222 PHE C C 176.076 0.400 1 921 222 222 PHE CA C 56.917 0.400 1 922 222 222 PHE CB C 42.385 0.400 1 923 222 222 PHE N N 119.255 0.100 1 924 223 223 ASN H H 8.836 0.020 1 925 223 223 ASN C C 172.055 0.400 1 926 223 223 ASN CA C 53.596 0.400 1 927 223 223 ASN CB C 43.299 0.400 1 928 223 223 ASN N N 119.788 0.100 1 929 224 224 ALA H H 9.256 0.020 1 930 224 224 ALA C C 176.102 0.400 1 931 224 224 ALA CA C 50.274 0.400 1 932 224 224 ALA CB C 21.115 0.400 1 933 224 224 ALA N N 124.739 0.100 1 934 225 225 ILE H H 8.819 0.020 1 935 225 225 ILE C C 174.043 0.400 1 936 225 225 ILE CA C 59.978 0.400 1 937 225 225 ILE CB C 41.818 0.400 1 938 225 225 ILE N N 113.834 0.100 1 939 226 226 ALA H H 9.177 0.020 1 940 226 226 ALA C C 174.969 0.400 1 941 226 226 ALA CA C 50.195 0.400 1 942 226 226 ALA CB C 21.620 0.400 1 943 226 226 ALA N N 124.806 0.100 1 944 227 227 LEU H H 8.789 0.020 1 945 227 227 LEU C C 173.459 0.400 1 946 227 227 LEU CA C 54.393 0.400 1 947 227 227 LEU CB C 40.745 0.400 1 948 227 227 LEU N N 125.057 0.100 1 949 228 228 SER H H 8.581 0.020 1 950 228 228 SER C C 173.784 0.400 1 951 228 228 SER CA C 58.706 0.400 1 952 228 228 SER CB C 67.789 0.400 1 953 228 228 SER N N 124.992 0.100 1 954 229 229 ALA H H 7.947 0.020 1 955 229 229 ALA C C 176.677 0.400 1 956 229 229 ALA CA C 52.815 0.400 1 957 229 229 ALA CB C 18.211 0.400 1 958 229 229 ALA N N 128.076 0.100 1 959 230 230 ALA H H 7.506 0.020 1 960 230 230 ALA C C 182.094 0.400 1 961 230 230 ALA CA C 52.771 0.400 1 962 230 230 ALA CB C 21.017 0.400 1 963 230 230 ALA N N 131.224 0.100 1 stop_ save_