data_19490 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human cytosolic dNT-1 nucleotidase ; _BMRB_accession_number 19490 _BMRB_flat_file_name bmr19490.str _Entry_type original _Submission_date 2013-09-11 _Accession_date 2013-09-11 _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 Hnizda Ales . . 2 Sklenickova Radka . . 3 Pachl Petr . . 4 Fabry Milan . . 5 Tosner Zdenek . . 6 Rezacova Pavlina . . 7 Brynda Jiri . . 8 Veverka Vaclav . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 188 "13C chemical shifts" 565 "15N chemical shifts" 188 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-12 original author . stop_ _Original_release_date 2014-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone resonance assignments of human cytosolic dNT-1 nucleotidase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24234349 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hnizda Ale . . 2 Sklenikova Radka . . 3 Pachl Petr . . 4 Fabry Milan . . 5 Toner Zdenk . . 6 Brynda Jii . . 7 Veverka Vaclav . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cdN dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cdN, chain 1' $cdN 'cdN, chain 2' $cdN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cdN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cdN _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 205 _Mol_residue_sequence ; SNAASARSVRVLVDMDGVLA DFEAGLLRGFRRRFPEEPHV PLEQRRGFLAREQYRALRPD LADKVASVYEAPGFFLDLEP IPGALDAVREMNDLPDTQVF ICTSPLLKYHHCVGEKYRWV EQHLGPQFVERIILTRDKTV VLGDLLIDDKDTVRGQEETP SWEHILFTCCHNRHLVLPPT RRRLLSWSDNWREILDSKRG AAQRE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASN 3 ALA 4 ALA 5 SER 6 ALA 7 ARG 8 SER 9 VAL 10 ARG 11 VAL 12 LEU 13 VAL 14 ASP 15 MET 16 ASP 17 GLY 18 VAL 19 LEU 20 ALA 21 ASP 22 PHE 23 GLU 24 ALA 25 GLY 26 LEU 27 LEU 28 ARG 29 GLY 30 PHE 31 ARG 32 ARG 33 ARG 34 PHE 35 PRO 36 GLU 37 GLU 38 PRO 39 HIS 40 VAL 41 PRO 42 LEU 43 GLU 44 GLN 45 ARG 46 ARG 47 GLY 48 PHE 49 LEU 50 ALA 51 ARG 52 GLU 53 GLN 54 TYR 55 ARG 56 ALA 57 LEU 58 ARG 59 PRO 60 ASP 61 LEU 62 ALA 63 ASP 64 LYS 65 VAL 66 ALA 67 SER 68 VAL 69 TYR 70 GLU 71 ALA 72 PRO 73 GLY 74 PHE 75 PHE 76 LEU 77 ASP 78 LEU 79 GLU 80 PRO 81 ILE 82 PRO 83 GLY 84 ALA 85 LEU 86 ASP 87 ALA 88 VAL 89 ARG 90 GLU 91 MET 92 ASN 93 ASP 94 LEU 95 PRO 96 ASP 97 THR 98 GLN 99 VAL 100 PHE 101 ILE 102 CYS 103 THR 104 SER 105 PRO 106 LEU 107 LEU 108 LYS 109 TYR 110 HIS 111 HIS 112 CYS 113 VAL 114 GLY 115 GLU 116 LYS 117 TYR 118 ARG 119 TRP 120 VAL 121 GLU 122 GLN 123 HIS 124 LEU 125 GLY 126 PRO 127 GLN 128 PHE 129 VAL 130 GLU 131 ARG 132 ILE 133 ILE 134 LEU 135 THR 136 ARG 137 ASP 138 LYS 139 THR 140 VAL 141 VAL 142 LEU 143 GLY 144 ASP 145 LEU 146 LEU 147 ILE 148 ASP 149 ASP 150 LYS 151 ASP 152 THR 153 VAL 154 ARG 155 GLY 156 GLN 157 GLU 158 GLU 159 THR 160 PRO 161 SER 162 TRP 163 GLU 164 HIS 165 ILE 166 LEU 167 PHE 168 THR 169 CYS 170 CYS 171 HIS 172 ASN 173 ARG 174 HIS 175 LEU 176 VAL 177 LEU 178 PRO 179 PRO 180 THR 181 ARG 182 ARG 183 ARG 184 LEU 185 LEU 186 SER 187 TRP 188 SER 189 ASP 190 ASN 191 TRP 192 ARG 193 GLU 194 ILE 195 LEU 196 ASP 197 SER 198 LYS 199 ARG 200 GLY 201 ALA 202 ALA 203 GLN 204 ARG 205 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2I7D "Structure Of Human Cytosolic Deoxyribonucleotidase In Complex With Deoxyuridine, Alf4 And Mg2+" 94.15 193 100.00 100.00 1.83e-137 PDB 4L57 "High Resolutin Structure Of Human Cytosolic 5'(3')- Deoxyribonucleotidase" 94.63 195 100.00 100.00 2.68e-138 PDB 4YIH "Crystal Structure Of Human Cytosolic 5'(3')-deoxyribonucleotidase In Complex With The Inhibitor Pb-pvu" 94.63 195 100.00 100.00 2.68e-138 DBJ BAA91151 "unnamed protein product [Homo sapiens]" 97.56 201 100.00 100.00 8.02e-143 GB AAF36534 "deoxy-5'-nucleotidase [Homo sapiens]" 97.56 201 100.00 100.00 8.02e-143 GB AAH17454 "5', 3'-nucleotidase, cytosolic [Homo sapiens]" 97.56 201 100.00 100.00 8.02e-143 GB AAH22334 "5', 3'-nucleotidase, cytosolic [Homo sapiens]" 97.56 201 99.50 99.50 1.59e-141 GB ACJ13694 "epididymis luminal protein 74 [Homo sapiens]" 97.56 201 100.00 100.00 8.02e-143 GB ADQ32487 "5', 3'-nucleotidase, cytosolic [synthetic construct]" 97.56 201 100.00 100.00 8.02e-143 REF NP_055410 "5'(3')-deoxyribonucleotidase, cytosolic type isoform 1 [Homo sapiens]" 97.56 201 100.00 100.00 8.02e-143 REF XP_001139013 "PREDICTED: 5'(3')-deoxyribonucleotidase, cytosolic type [Pan troglodytes]" 97.56 201 99.00 100.00 1.97e-142 REF XP_002827866 "PREDICTED: 5'(3')-deoxyribonucleotidase, cytosolic type isoform X1 [Pongo abelii]" 100.00 245 97.07 98.05 3.56e-142 REF XP_003279118 "PREDICTED: 5'(3')-deoxyribonucleotidase, cytosolic type isoform X1 [Nomascus leucogenys]" 99.02 245 97.54 99.01 1.29e-141 REF XP_004041011 "PREDICTED: 5'(3')-deoxyribonucleotidase, cytosolic type isoform 1 [Gorilla gorilla gorilla]" 97.56 201 99.00 100.00 3.40e-142 SP Q8TCD5 "RecName: Full=5'(3')-deoxyribonucleotidase, cytosolic type; AltName: Full=Cytosolic 5',3'-pyrimidine nucleotidase; AltName: Ful" 97.56 201 100.00 100.00 8.02e-143 TPG DAA00070 "TPA_exp: cytosolic 5'(3')-deoxyribonucleotidase [Homo sapiens]" 97.56 201 100.00 100.00 8.02e-143 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cdN 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 _Vector_name $cdN 'recombinant technology' . Escherichia coli . . 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 $cdN 0.3 mM '[U-13C; U-15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' beta-mercaptoethanol 5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cdN 0.3 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' beta-mercaptoethanol 5 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 175 . mM pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HN(CO)CA' '3D HNCA' '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '3D HN(CO)CACB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'cdN, chain 1' _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 4 ALA H H 8.305 0.015 1 2 4 4 ALA C C 178.758 0.150 1 3 4 4 ALA CA C 53.018 0.150 1 4 4 4 ALA CB C 19.270 0.150 1 5 4 4 ALA N N 125.323 0.150 1 6 5 5 SER H H 8.080 0.015 1 7 5 5 SER C C 175.195 0.150 1 8 5 5 SER CA C 58.744 0.150 1 9 5 5 SER CB C 64.639 0.150 1 10 5 5 SER N N 115.433 0.150 1 11 6 6 ALA H H 8.180 0.015 1 12 6 6 ALA C C 178.129 0.150 1 13 6 6 ALA CA C 52.962 0.150 1 14 6 6 ALA CB C 19.608 0.150 1 15 6 6 ALA N N 126.422 0.150 1 16 7 7 ARG H H 8.139 0.015 1 17 7 7 ARG C C 176.575 0.150 1 18 7 7 ARG CA C 56.121 0.150 1 19 7 7 ARG CB C 31.107 0.150 1 20 7 7 ARG N N 120.047 0.150 1 21 8 8 SER H H 8.037 0.015 1 22 8 8 SER C C 175.087 0.150 1 23 8 8 SER CA C 58.615 0.150 1 24 8 8 SER CB C 64.791 0.150 1 25 8 8 SER N N 117.649 0.150 1 26 9 9 VAL H H 7.977 0.015 1 27 9 9 VAL C C 174.457 0.150 1 28 9 9 VAL CA C 61.499 0.150 1 29 9 9 VAL CB C 34.796 0.150 1 30 9 9 VAL N N 123.188 0.150 1 31 10 10 ARG H H 9.954 0.015 1 32 10 10 ARG C C 176.142 0.150 1 33 10 10 ARG CA C 55.139 0.150 1 34 10 10 ARG CB C 31.273 0.150 1 35 10 10 ARG N N 130.021 0.150 1 36 11 11 VAL H H 9.560 0.015 1 37 11 11 VAL C C 174.058 0.150 1 38 11 11 VAL CA C 61.917 0.150 1 39 11 11 VAL N N 131.053 0.150 1 40 12 12 LEU H H 8.942 0.015 1 41 12 12 LEU C C 175.763 0.150 1 42 12 12 LEU CA C 52.754 0.150 1 43 12 12 LEU N N 126.921 0.150 1 44 13 13 VAL H H 9.356 0.015 1 45 13 13 VAL C C 175.436 0.150 1 46 13 13 VAL CA C 62.299 0.150 1 47 13 13 VAL CB C 33.420 0.150 1 48 13 13 VAL N N 125.160 0.150 1 49 14 14 ASP H H 7.814 0.015 1 50 14 14 ASP CA C 53.251 0.150 1 51 14 14 ASP N N 125.509 0.150 1 52 16 16 ASP C C 177.165 0.150 1 53 16 16 ASP CA C 58.671 0.150 1 54 16 16 ASP CB C 38.773 0.150 1 55 17 17 GLY H H 9.884 0.015 1 56 17 17 GLY C C 171.978 0.150 1 57 17 17 GLY CA C 46.692 0.150 1 58 17 17 GLY N N 118.596 0.150 1 59 18 18 VAL H H 6.921 0.015 1 60 18 18 VAL C C 173.286 0.150 1 61 18 18 VAL CA C 66.411 0.150 1 62 18 18 VAL N N 118.856 0.150 1 63 19 19 LEU H H 7.018 0.015 1 64 19 19 LEU CA C 57.918 0.150 1 65 19 19 LEU CB C 43.181 0.150 1 66 19 19 LEU N N 117.307 0.150 1 67 20 20 ALA H H 7.519 0.015 1 68 20 20 ALA C C 177.750 0.150 1 69 20 20 ALA CA C 50.265 0.150 1 70 20 20 ALA CB C 21.681 0.150 1 71 20 20 ALA N N 121.083 0.150 1 72 21 21 ASP H H 9.398 0.015 1 73 21 21 ASP C C 176.271 0.150 1 74 21 21 ASP CA C 53.805 0.150 1 75 21 21 ASP CB C 39.532 0.150 1 76 21 21 ASP N N 124.726 0.150 1 77 22 22 PHE H H 7.988 0.015 1 78 22 22 PHE C C 177.665 0.150 1 79 22 22 PHE CA C 61.928 0.150 1 80 22 22 PHE CB C 39.807 0.150 1 81 22 22 PHE N N 131.606 0.150 1 82 23 23 GLU H H 9.873 0.015 1 83 23 23 GLU C C 180.926 0.150 1 84 23 23 GLU CA C 60.184 0.150 1 85 23 23 GLU CB C 28.294 0.150 1 86 23 23 GLU N N 120.967 0.150 1 87 24 24 ALA H H 8.334 0.015 1 88 24 24 ALA C C 172.996 0.150 1 89 24 24 ALA CA C 55.618 0.150 1 90 24 24 ALA CB C 19.284 0.150 1 91 24 24 ALA N N 122.046 0.150 1 92 25 25 GLY H H 7.590 0.015 1 93 25 25 GLY C C 177.656 0.150 1 94 25 25 GLY CA C 47.237 0.150 1 95 25 25 GLY N N 106.368 0.150 1 96 26 26 LEU H H 8.991 0.015 1 97 26 26 LEU C C 178.359 0.150 1 98 26 26 LEU CA C 58.615 0.150 1 99 26 26 LEU CB C 41.574 0.150 1 100 26 26 LEU N N 127.486 0.150 1 101 27 27 LEU H H 7.654 0.015 1 102 27 27 LEU C C 179.124 0.150 1 103 27 27 LEU CA C 58.658 0.150 1 104 27 27 LEU CB C 41.084 0.150 1 105 27 27 LEU N N 120.060 0.150 1 106 28 28 ARG H H 8.070 0.015 1 107 28 28 ARG C C 180.726 0.150 1 108 28 28 ARG CA C 59.851 0.150 1 109 28 28 ARG CB C 30.226 0.150 1 110 28 28 ARG N N 117.911 0.150 1 111 29 29 GLY H H 8.343 0.015 1 112 29 29 GLY C C 176.464 0.150 1 113 29 29 GLY CA C 47.641 0.150 1 114 29 29 GLY N N 106.559 0.150 1 115 30 30 PHE H H 9.102 0.015 1 116 30 30 PHE C C 177.550 0.150 1 117 30 30 PHE CA C 63.272 0.150 1 118 30 30 PHE CB C 40.158 0.150 1 119 30 30 PHE N N 125.528 0.150 1 120 31 31 ARG H H 8.651 0.015 1 121 31 31 ARG C C 179.099 0.150 1 122 31 31 ARG CA C 59.255 0.150 1 123 31 31 ARG CB C 28.830 0.150 1 124 31 31 ARG N N 116.721 0.150 1 125 32 32 ARG H H 7.321 0.015 1 126 32 32 ARG C C 178.597 0.150 1 127 32 32 ARG CA C 58.644 0.150 1 128 32 32 ARG CB C 30.459 0.150 1 129 32 32 ARG N N 115.847 0.150 1 130 33 33 ARG H H 7.408 0.015 1 131 33 33 ARG C C 176.655 0.150 1 132 33 33 ARG CA C 57.878 0.150 1 133 33 33 ARG CB C 31.015 0.150 1 134 33 33 ARG N N 118.241 0.150 1 135 34 34 PHE H H 8.132 0.015 1 136 34 34 PHE C C 174.665 0.150 1 137 34 34 PHE CA C 54.915 0.150 1 138 34 34 PHE CB C 37.766 0.150 1 139 34 34 PHE N N 117.013 0.150 1 140 35 35 PRO C C 178.960 0.150 1 141 35 35 PRO CA C 65.739 0.150 1 142 35 35 PRO CB C 31.936 0.150 1 143 36 36 GLU H H 8.759 0.015 1 144 36 36 GLU C C 178.043 0.150 1 145 36 36 GLU CA C 56.497 0.150 1 146 36 36 GLU CB C 29.520 0.150 1 147 36 36 GLU N N 116.155 0.150 1 148 37 37 GLU H H 7.292 0.015 1 149 37 37 GLU C C 176.276 0.150 1 150 37 37 GLU CA C 54.120 0.150 1 151 37 37 GLU CB C 28.922 0.150 1 152 37 37 GLU N N 120.099 0.150 1 153 38 38 PRO C C 173.243 0.150 1 154 38 38 PRO CA C 63.759 0.150 1 155 38 38 PRO CB C 32.113 0.150 1 156 39 39 HIS H H 7.259 0.015 1 157 39 39 HIS C C 173.865 0.150 1 158 39 39 HIS CA C 54.115 0.150 1 159 39 39 HIS CB C 32.700 0.150 1 160 39 39 HIS N N 112.113 0.150 1 161 40 40 VAL H H 7.093 0.015 1 162 40 40 VAL C C 173.933 0.150 1 163 40 40 VAL CA C 59.146 0.150 1 164 40 40 VAL CB C 32.262 0.150 1 165 40 40 VAL N N 119.327 0.150 1 166 41 41 PRO C C 178.532 0.150 1 167 41 41 PRO CA C 62.962 0.150 1 168 41 41 PRO CB C 32.549 0.150 1 169 42 42 LEU H H 8.606 0.015 1 170 42 42 LEU C C 181.198 0.150 1 171 42 42 LEU CA C 59.422 0.150 1 172 42 42 LEU CB C 39.791 0.150 1 173 42 42 LEU N N 122.804 0.150 1 174 43 43 GLU H H 9.164 0.015 1 175 43 43 GLU C C 178.326 0.150 1 176 43 43 GLU CA C 59.380 0.150 1 177 43 43 GLU CB C 28.837 0.150 1 178 43 43 GLU N N 115.499 0.150 1 179 44 44 GLN H H 7.882 0.015 1 180 44 44 GLN C C 177.423 0.150 1 181 44 44 GLN CA C 55.124 0.150 1 182 44 44 GLN CB C 29.957 0.150 1 183 44 44 GLN N N 116.834 0.150 1 184 45 45 ARG H H 7.446 0.015 1 185 45 45 ARG C C 176.821 0.150 1 186 45 45 ARG CA C 56.210 0.150 1 187 45 45 ARG CB C 28.681 0.150 1 188 45 45 ARG N N 123.905 0.150 1 189 46 46 ARG H H 8.171 0.015 1 190 46 46 ARG C C 177.572 0.150 1 191 46 46 ARG CA C 55.892 0.150 1 192 46 46 ARG CB C 33.325 0.150 1 193 46 46 ARG N N 121.392 0.150 1 194 47 47 GLY H H 8.286 0.015 1 195 47 47 GLY C C 174.678 0.150 1 196 47 47 GLY CA C 44.901 0.150 1 197 47 47 GLY N N 114.379 0.150 1 198 48 48 PHE H H 8.947 0.015 1 199 48 48 PHE C C 176.154 0.150 1 200 48 48 PHE CA C 62.318 0.150 1 201 48 48 PHE CB C 40.084 0.150 1 202 48 48 PHE N N 125.902 0.150 1 203 49 49 LEU H H 8.138 0.015 1 204 49 49 LEU C C 178.829 0.150 1 205 49 49 LEU CA C 53.348 0.150 1 206 49 49 LEU CB C 41.360 0.150 1 207 49 49 LEU N N 114.928 0.150 1 208 50 50 ALA H H 8.991 0.015 1 209 50 50 ALA C C 181.038 0.150 1 210 50 50 ALA CA C 56.306 0.150 1 211 50 50 ALA CB C 18.199 0.150 1 212 50 50 ALA N N 135.518 0.150 1 213 51 51 ARG H H 9.354 0.015 1 214 51 51 ARG C C 178.057 0.150 1 215 51 51 ARG CA C 60.519 0.150 1 216 51 51 ARG CB C 30.152 0.150 1 217 51 51 ARG N N 115.219 0.150 1 218 52 52 GLU H H 6.855 0.015 1 219 52 52 GLU C C 179.378 0.150 1 220 52 52 GLU CA C 58.302 0.150 1 221 52 52 GLU CB C 29.135 0.150 1 222 52 52 GLU N N 115.072 0.150 1 223 53 53 GLN H H 7.310 0.015 1 224 53 53 GLN C C 180.053 0.150 1 225 53 53 GLN CA C 59.679 0.150 1 226 53 53 GLN CB C 27.637 0.150 1 227 53 53 GLN N N 122.992 0.150 1 228 54 54 TYR H H 8.169 0.015 1 229 54 54 TYR C C 178.228 0.150 1 230 54 54 TYR CA C 63.437 0.150 1 231 54 54 TYR CB C 37.389 0.150 1 232 54 54 TYR N N 119.345 0.150 1 233 55 55 ARG H H 7.977 0.015 1 234 55 55 ARG C C 178.081 0.150 1 235 55 55 ARG CA C 59.122 0.150 1 236 55 55 ARG CB C 30.419 0.150 1 237 55 55 ARG N N 119.384 0.150 1 238 56 56 ALA H H 6.955 0.015 1 239 56 56 ALA C C 179.930 0.150 1 240 56 56 ALA CA C 53.920 0.150 1 241 56 56 ALA CB C 18.230 0.150 1 242 56 56 ALA N N 116.968 0.150 1 243 57 57 LEU H H 7.147 0.015 1 244 57 57 LEU C C 178.780 0.150 1 245 57 57 LEU CA C 58.164 0.150 1 246 57 57 LEU CB C 41.828 0.150 1 247 57 57 LEU N N 121.202 0.150 1 248 58 58 ARG H H 7.708 0.015 1 249 58 58 ARG C C 177.075 0.150 1 250 58 58 ARG CA C 56.561 0.150 1 251 58 58 ARG CB C 34.238 0.150 1 252 58 58 ARG N N 120.376 0.150 1 253 59 59 PRO C C 179.944 0.150 1 254 59 59 PRO CA C 67.428 0.150 1 255 59 59 PRO CB C 32.090 0.150 1 256 60 60 ASP H H 8.495 0.015 1 257 60 60 ASP C C 178.514 0.150 1 258 60 60 ASP CA C 56.259 0.150 1 259 60 60 ASP CB C 40.613 0.150 1 260 60 60 ASP N N 114.139 0.150 1 261 61 61 LEU H H 8.343 0.015 1 262 61 61 LEU C C 179.698 0.150 1 263 61 61 LEU CA C 57.291 0.150 1 264 61 61 LEU CB C 41.263 0.150 1 265 61 61 LEU N N 119.283 0.150 1 266 62 62 ALA H H 7.219 0.015 1 267 62 62 ALA C C 179.812 0.150 1 268 62 62 ALA CA C 55.777 0.150 1 269 62 62 ALA CB C 18.273 0.150 1 270 62 62 ALA N N 120.993 0.150 1 271 63 63 ASP H H 7.607 0.015 1 272 63 63 ASP C C 179.964 0.150 1 273 63 63 ASP CA C 56.920 0.150 1 274 63 63 ASP CB C 40.307 0.150 1 275 63 63 ASP N N 117.114 0.150 1 276 64 64 LYS H H 7.038 0.015 1 277 64 64 LYS C C 179.677 0.150 1 278 64 64 LYS CA C 60.388 0.150 1 279 64 64 LYS CB C 32.015 0.150 1 280 64 64 LYS N N 121.089 0.150 1 281 65 65 VAL H H 8.151 0.015 1 282 65 65 VAL C C 177.423 0.150 1 283 65 65 VAL CA C 66.792 0.150 1 284 65 65 VAL CB C 31.235 0.150 1 285 65 65 VAL N N 120.596 0.150 1 286 66 66 ALA H H 7.033 0.015 1 287 66 66 ALA C C 178.806 0.150 1 288 66 66 ALA CA C 54.354 0.150 1 289 66 66 ALA CB C 17.851 0.150 1 290 66 66 ALA N N 121.937 0.150 1 291 67 67 SER H H 7.300 0.015 1 292 67 67 SER C C 176.704 0.150 1 293 67 67 SER CA C 61.489 0.150 1 294 67 67 SER CB C 63.485 0.150 1 295 67 67 SER N N 111.008 0.150 1 296 68 68 VAL H H 7.155 0.015 1 297 68 68 VAL C C 178.280 0.150 1 298 68 68 VAL CA C 65.894 0.150 1 299 68 68 VAL CB C 31.300 0.150 1 300 68 68 VAL N N 121.304 0.150 1 301 69 69 TYR H H 6.219 0.015 1 302 69 69 TYR C C 176.777 0.150 1 303 69 69 TYR CA C 57.186 0.150 1 304 69 69 TYR CB C 37.079 0.150 1 305 69 69 TYR N N 112.062 0.150 1 306 70 70 GLU H H 7.500 0.015 1 307 70 70 GLU C C 176.381 0.150 1 308 70 70 GLU CA C 56.879 0.150 1 309 70 70 GLU CB C 29.929 0.150 1 310 70 70 GLU N N 118.981 0.150 1 311 71 71 ALA H H 6.806 0.015 1 312 71 71 ALA C C 176.669 0.150 1 313 71 71 ALA CA C 50.821 0.150 1 314 71 71 ALA CB C 18.467 0.150 1 315 71 71 ALA N N 123.845 0.150 1 316 72 72 PRO C C 178.319 0.150 1 317 72 72 PRO CA C 64.078 0.150 1 318 72 72 PRO CB C 30.896 0.150 1 319 73 73 GLY H H 11.613 0.015 1 320 73 73 GLY C C 175.162 0.150 1 321 73 73 GLY CA C 46.047 0.150 1 322 73 73 GLY N N 119.720 0.150 1 323 74 74 PHE H H 7.417 0.015 1 324 74 74 PHE C C 178.299 0.150 1 325 74 74 PHE CA C 62.617 0.150 1 326 74 74 PHE CB C 39.201 0.150 1 327 74 74 PHE N N 120.831 0.150 1 328 75 75 PHE H H 8.011 0.015 1 329 75 75 PHE C C 180.240 0.150 1 330 75 75 PHE CA C 62.886 0.150 1 331 75 75 PHE CB C 39.318 0.150 1 332 75 75 PHE N N 114.007 0.150 1 333 76 76 LEU H H 8.052 0.015 1 334 76 76 LEU C C 178.268 0.150 1 335 76 76 LEU CA C 57.898 0.150 1 336 76 76 LEU CB C 42.179 0.150 1 337 76 76 LEU N N 122.244 0.150 1 338 77 77 ASP H H 7.238 0.015 1 339 77 77 ASP C C 177.665 0.150 1 340 77 77 ASP CA C 54.671 0.150 1 341 77 77 ASP CB C 41.399 0.150 1 342 77 77 ASP N N 114.938 0.150 1 343 78 78 LEU H H 6.776 0.015 1 344 78 78 LEU C C 179.297 0.150 1 345 78 78 LEU CA C 55.888 0.150 1 346 78 78 LEU CB C 41.597 0.150 1 347 78 78 LEU N N 118.347 0.150 1 348 79 79 GLU H H 9.438 0.015 1 349 79 79 GLU C C 175.548 0.150 1 350 79 79 GLU CA C 54.600 0.150 1 351 79 79 GLU CB C 30.098 0.150 1 352 79 79 GLU N N 126.106 0.150 1 353 80 80 PRO C C 178.137 0.150 1 354 81 81 ILE H H 7.938 0.015 1 355 81 81 ILE N N 128.680 0.150 1 356 82 82 PRO C C 178.250 0.150 1 357 82 82 PRO CA C 65.067 0.150 1 358 82 82 PRO CB C 31.681 0.150 1 359 83 83 GLY H H 8.708 0.015 1 360 83 83 GLY C C 175.777 0.150 1 361 83 83 GLY CA C 46.718 0.150 1 362 83 83 GLY N N 113.637 0.150 1 363 84 84 ALA H H 7.782 0.015 1 364 84 84 ALA C C 178.969 0.150 1 365 84 84 ALA CA C 55.195 0.150 1 366 84 84 ALA CB C 22.459 0.150 1 367 84 84 ALA N N 124.279 0.150 1 368 85 85 LEU H H 7.789 0.015 1 369 85 85 LEU C C 179.891 0.150 1 370 85 85 LEU CA C 57.817 0.150 1 371 85 85 LEU CB C 39.151 0.150 1 372 85 85 LEU N N 114.290 0.150 1 373 86 86 ASP H H 8.277 0.015 1 374 86 86 ASP C C 179.420 0.150 1 375 86 86 ASP CA C 57.385 0.150 1 376 86 86 ASP CB C 40.522 0.150 1 377 86 86 ASP N N 117.469 0.150 1 378 87 87 ALA H H 7.343 0.015 1 379 87 87 ALA C C 179.591 0.150 1 380 87 87 ALA CA C 55.854 0.150 1 381 87 87 ALA CB C 18.502 0.150 1 382 87 87 ALA N N 122.304 0.150 1 383 88 88 VAL H H 7.485 0.015 1 384 88 88 VAL C C 178.732 0.150 1 385 88 88 VAL CA C 66.668 0.150 1 386 88 88 VAL N N 116.029 0.150 1 387 89 89 ARG H H 7.559 0.015 1 388 89 89 ARG C C 179.810 0.150 1 389 89 89 ARG CA C 60.799 0.150 1 390 89 89 ARG CB C 30.158 0.150 1 391 89 89 ARG N N 120.066 0.150 1 392 90 90 GLU H H 7.976 0.015 1 393 90 90 GLU C C 180.702 0.150 1 394 90 90 GLU CA C 60.042 0.150 1 395 90 90 GLU CB C 29.615 0.150 1 396 90 90 GLU N N 120.037 0.150 1 397 91 91 MET H H 8.716 0.015 1 398 91 91 MET C C 178.028 0.150 1 399 91 91 MET CA C 59.870 0.150 1 400 91 91 MET CB C 34.369 0.150 1 401 91 91 MET N N 120.064 0.150 1 402 92 92 ASN H H 7.853 0.015 1 403 92 92 ASN C C 175.983 0.150 1 404 92 92 ASN CA C 56.182 0.150 1 405 92 92 ASN CB C 40.525 0.150 1 406 92 92 ASN N N 113.194 0.150 1 407 93 93 ASP H H 7.336 0.015 1 408 93 93 ASP C C 177.702 0.150 1 409 93 93 ASP CA C 54.587 0.150 1 410 93 93 ASP CB C 42.104 0.150 1 411 93 93 ASP N N 116.575 0.150 1 412 94 94 LEU H H 7.419 0.015 1 413 94 94 LEU C C 176.335 0.150 1 414 94 94 LEU CA C 53.924 0.150 1 415 94 94 LEU CB C 41.187 0.150 1 416 94 94 LEU N N 124.824 0.150 1 417 95 95 PRO C C 179.238 0.150 1 418 95 95 PRO CA C 63.645 0.150 1 419 95 95 PRO CB C 31.694 0.150 1 420 96 96 ASP H H 8.997 0.015 1 421 96 96 ASP C C 176.174 0.150 1 422 96 96 ASP CA C 55.759 0.150 1 423 96 96 ASP CB C 40.414 0.150 1 424 96 96 ASP N N 121.462 0.150 1 425 97 97 THR H H 7.503 0.015 1 426 97 97 THR C C 173.493 0.150 1 427 97 97 THR CA C 62.942 0.150 1 428 97 97 THR CB C 71.790 0.150 1 429 97 97 THR N N 115.227 0.150 1 430 98 98 GLN H H 8.951 0.015 1 431 98 98 GLN C C 175.380 0.150 1 432 98 98 GLN CA C 54.257 0.150 1 433 98 98 GLN CB C 31.611 0.150 1 434 98 98 GLN N N 125.180 0.150 1 435 99 99 VAL H H 8.232 0.015 1 436 99 99 VAL C C 175.678 0.150 1 437 99 99 VAL CA C 61.566 0.150 1 438 99 99 VAL CB C 34.585 0.150 1 439 99 99 VAL N N 123.153 0.150 1 440 100 100 PHE H H 8.906 0.015 1 441 100 100 PHE C C 175.496 0.150 1 442 100 100 PHE CA C 57.206 0.150 1 443 100 100 PHE N N 124.185 0.150 1 444 101 101 ILE H H 8.735 0.015 1 445 101 101 ILE C C 175.089 0.150 1 446 101 101 ILE CA C 60.123 0.150 1 447 101 101 ILE N N 124.456 0.150 1 448 102 102 CYS H H 8.467 0.015 1 449 102 102 CYS C C 173.995 0.150 1 450 102 102 CYS CA C 57.902 0.150 1 451 102 102 CYS CB C 29.288 0.150 1 452 102 102 CYS N N 128.733 0.150 1 453 103 103 THR H H 8.701 0.015 1 454 103 103 THR CA C 59.163 0.150 1 455 103 103 THR CB C 70.805 0.150 1 456 103 103 THR N N 124.067 0.150 1 457 105 105 PRO C C 176.558 0.150 1 458 105 105 PRO CA C 62.251 0.150 1 459 105 105 PRO CB C 32.408 0.150 1 460 106 106 LEU H H 6.459 0.015 1 461 106 106 LEU C C 178.194 0.150 1 462 106 106 LEU CA C 54.896 0.150 1 463 106 106 LEU CB C 42.724 0.150 1 464 106 106 LEU N N 118.743 0.150 1 465 107 107 LEU H H 8.240 0.015 1 466 107 107 LEU C C 181.269 0.150 1 467 107 107 LEU CA C 58.348 0.150 1 468 107 107 LEU CB C 41.001 0.150 1 469 107 107 LEU N N 121.421 0.150 1 470 108 108 LYS H H 7.848 0.015 1 471 108 108 LYS C C 175.849 0.150 1 472 108 108 LYS CA C 55.666 0.150 1 473 108 108 LYS CB C 29.256 0.150 1 474 108 108 LYS N N 118.991 0.150 1 475 109 109 TYR H H 6.646 0.015 1 476 109 109 TYR C C 178.259 0.150 1 477 109 109 TYR CA C 59.533 0.150 1 478 109 109 TYR CB C 38.960 0.150 1 479 109 109 TYR N N 123.566 0.150 1 480 110 110 HIS H H 7.544 0.015 1 481 110 110 HIS C C 177.164 0.150 1 482 110 110 HIS CA C 61.412 0.150 1 483 110 110 HIS CB C 31.465 0.150 1 484 110 110 HIS N N 118.597 0.150 1 485 111 111 HIS H H 8.408 0.015 1 486 111 111 HIS C C 176.293 0.150 1 487 111 111 HIS CA C 56.904 0.150 1 488 111 111 HIS CB C 31.358 0.150 1 489 111 111 HIS N N 116.640 0.150 1 490 112 112 CYS H H 8.252 0.015 1 491 112 112 CYS C C 175.886 0.150 1 492 112 112 CYS CA C 61.222 0.150 1 493 112 112 CYS CB C 28.502 0.150 1 494 112 112 CYS N N 117.688 0.150 1 495 113 113 VAL H H 7.338 0.015 1 496 113 113 VAL C C 177.309 0.150 1 497 113 113 VAL CA C 67.897 0.150 1 498 113 113 VAL CB C 30.520 0.150 1 499 113 113 VAL N N 114.345 0.150 1 500 114 114 GLY H H 8.299 0.015 1 501 114 114 GLY C C 178.264 0.150 1 502 114 114 GLY CA C 47.420 0.150 1 503 114 114 GLY N N 105.952 0.150 1 504 115 115 GLU H H 7.509 0.015 1 505 115 115 GLU C C 179.728 0.150 1 506 115 115 GLU CA C 60.540 0.150 1 507 115 115 GLU CB C 31.148 0.150 1 508 115 115 GLU N N 120.012 0.150 1 509 116 116 LYS H H 8.103 0.015 1 510 116 116 LYS C C 179.459 0.150 1 511 116 116 LYS CA C 61.548 0.150 1 512 116 116 LYS CB C 33.084 0.150 1 513 116 116 LYS N N 119.085 0.150 1 514 117 117 TYR H H 7.046 0.015 1 515 117 117 TYR C C 178.529 0.150 1 516 117 117 TYR CA C 63.276 0.150 1 517 117 117 TYR CB C 39.340 0.150 1 518 117 117 TYR N N 118.481 0.150 1 519 118 118 ARG H H 7.759 0.015 1 520 118 118 ARG C C 179.526 0.150 1 521 118 118 ARG CA C 58.962 0.150 1 522 118 118 ARG CB C 30.376 0.150 1 523 118 118 ARG N N 118.549 0.150 1 524 119 119 TRP H H 8.969 0.015 1 525 119 119 TRP HE1 H 9.283 0.015 1 526 119 119 TRP C C 180.796 0.150 1 527 119 119 TRP CA C 63.150 0.150 1 528 119 119 TRP N N 122.486 0.150 1 529 119 119 TRP NE1 N 127.837 0.150 1 530 120 120 VAL H H 8.035 0.015 1 531 120 120 VAL C C 178.584 0.150 1 532 120 120 VAL CA C 68.284 0.150 1 533 120 120 VAL CB C 31.431 0.150 1 534 120 120 VAL N N 119.146 0.150 1 535 121 121 GLU H H 8.437 0.015 1 536 121 121 GLU C C 178.583 0.150 1 537 121 121 GLU CA C 60.914 0.150 1 538 121 121 GLU CB C 29.234 0.150 1 539 121 121 GLU N N 122.995 0.150 1 540 122 122 GLN H H 8.358 0.015 1 541 122 122 GLN C C 178.106 0.150 1 542 122 122 GLN CA C 58.642 0.150 1 543 122 122 GLN CB C 28.989 0.150 1 544 122 122 GLN N N 115.564 0.150 1 545 123 123 HIS H H 7.735 0.015 1 546 123 123 HIS C C 176.150 0.150 1 547 123 123 HIS CA C 59.024 0.150 1 548 123 123 HIS CB C 30.029 0.150 1 549 123 123 HIS N N 113.906 0.150 1 550 124 124 LEU H H 8.236 0.015 1 551 124 124 LEU C C 177.546 0.150 1 552 124 124 LEU CA C 55.692 0.150 1 553 124 124 LEU CB C 42.743 0.150 1 554 124 124 LEU N N 118.729 0.150 1 555 125 125 GLY H H 7.699 0.015 1 556 125 125 GLY C C 174.342 0.150 1 557 125 125 GLY CA C 45.156 0.150 1 558 125 125 GLY N N 109.232 0.150 1 559 126 126 PRO C C 180.302 0.150 1 560 126 126 PRO CA C 66.041 0.150 1 561 126 126 PRO CB C 32.133 0.150 1 562 127 127 GLN H H 9.320 0.015 1 563 127 127 GLN C C 178.680 0.150 1 564 127 127 GLN CA C 58.877 0.150 1 565 127 127 GLN CB C 27.448 0.150 1 566 127 127 GLN N N 118.894 0.150 1 567 128 128 PHE H H 7.574 0.015 1 568 128 128 PHE C C 178.936 0.150 1 569 128 128 PHE CA C 61.359 0.150 1 570 128 128 PHE CB C 40.189 0.150 1 571 128 128 PHE N N 116.368 0.150 1 572 129 129 VAL H H 7.481 0.015 1 573 129 129 VAL C C 179.928 0.150 1 574 129 129 VAL CA C 66.476 0.150 1 575 129 129 VAL CB C 31.171 0.150 1 576 129 129 VAL N N 122.999 0.150 1 577 130 130 GLU H H 7.266 0.015 1 578 130 130 GLU C C 177.085 0.150 1 579 130 130 GLU CA C 58.523 0.150 1 580 130 130 GLU CB C 29.990 0.150 1 581 130 130 GLU N N 115.666 0.150 1 582 131 131 ARG H H 7.368 0.015 1 583 131 131 ARG C C 175.748 0.150 1 584 131 131 ARG CA C 54.126 0.150 1 585 131 131 ARG CB C 29.498 0.150 1 586 131 131 ARG N N 117.727 0.150 1 587 132 132 ILE H H 6.959 0.015 1 588 132 132 ILE C C 177.006 0.150 1 589 132 132 ILE CA C 63.553 0.150 1 590 132 132 ILE CB C 39.141 0.150 1 591 132 132 ILE N N 121.198 0.150 1 592 133 133 ILE H H 9.393 0.015 1 593 133 133 ILE C C 175.552 0.150 1 594 133 133 ILE CA C 61.481 0.150 1 595 133 133 ILE CB C 40.959 0.150 1 596 133 133 ILE N N 132.058 0.150 1 597 134 134 LEU H H 8.837 0.015 1 598 134 134 LEU C C 176.838 0.150 1 599 134 134 LEU CA C 53.639 0.150 1 600 134 134 LEU CB C 43.452 0.150 1 601 134 134 LEU N N 130.122 0.150 1 602 135 135 THR H H 8.323 0.015 1 603 135 135 THR C C 174.164 0.150 1 604 135 135 THR CA C 59.287 0.150 1 605 135 135 THR CB C 69.289 0.150 1 606 135 135 THR N N 115.088 0.150 1 607 136 136 ARG H H 9.856 0.015 1 608 136 136 ARG C C 175.858 0.150 1 609 136 136 ARG CA C 57.035 0.150 1 610 136 136 ARG CB C 28.969 0.150 1 611 136 136 ARG N N 127.883 0.150 1 612 137 137 ASP H H 8.525 0.015 1 613 137 137 ASP C C 177.162 0.150 1 614 137 137 ASP CA C 52.975 0.150 1 615 137 137 ASP CB C 42.346 0.150 1 616 137 137 ASP N N 121.732 0.150 1 617 138 138 LYS H H 9.890 0.015 1 618 138 138 LYS C C 178.726 0.150 1 619 138 138 LYS CA C 58.358 0.150 1 620 138 138 LYS CB C 31.412 0.150 1 621 138 138 LYS N N 124.660 0.150 1 622 139 139 THR H H 8.983 0.015 1 623 139 139 THR C C 175.468 0.150 1 624 139 139 THR CA C 65.227 0.150 1 625 139 139 THR CB C 68.374 0.150 1 626 139 139 THR N N 112.404 0.150 1 627 140 140 VAL H H 6.178 0.015 1 628 140 140 VAL C C 173.044 0.150 1 629 140 140 VAL CA C 60.749 0.150 1 630 140 140 VAL CB C 29.691 0.150 1 631 140 140 VAL N N 109.404 0.150 1 632 141 141 VAL H H 6.986 0.015 1 633 141 141 VAL C C 175.940 0.150 1 634 141 141 VAL CA C 61.942 0.150 1 635 141 141 VAL CB C 31.479 0.150 1 636 141 141 VAL N N 121.421 0.150 1 637 142 142 LEU H H 8.944 0.015 1 638 142 142 LEU C C 177.188 0.150 1 639 142 142 LEU CA C 54.493 0.150 1 640 142 142 LEU CB C 42.977 0.150 1 641 142 142 LEU N N 129.016 0.150 1 642 143 143 GLY H H 7.446 0.015 1 643 143 143 GLY C C 171.854 0.150 1 644 143 143 GLY CA C 45.056 0.150 1 645 143 143 GLY N N 107.767 0.150 1 646 144 144 ASP H H 9.059 0.015 1 647 144 144 ASP C C 178.733 0.150 1 648 144 144 ASP CA C 57.389 0.150 1 649 144 144 ASP N N 117.759 0.150 1 650 145 145 LEU H H 7.773 0.015 1 651 145 145 LEU C C 174.440 0.150 1 652 145 145 LEU CA C 53.617 0.150 1 653 145 145 LEU N N 119.694 0.150 1 654 146 146 LEU H H 8.654 0.015 1 655 146 146 LEU C C 175.639 0.150 1 656 146 146 LEU CA C 54.061 0.150 1 657 146 146 LEU N N 124.811 0.150 1 658 147 147 ILE H H 8.752 0.015 1 659 147 147 ILE C C 174.654 0.150 1 660 147 147 ILE CA C 61.256 0.150 1 661 147 147 ILE N N 129.811 0.150 1 662 148 148 ASP H H 8.056 0.015 1 663 148 148 ASP C C 177.079 0.150 1 664 148 148 ASP CA C 55.260 0.150 1 665 148 148 ASP CB C 46.032 0.150 1 666 148 148 ASP N N 126.701 0.150 1 667 149 149 ASP H H 9.306 0.015 1 668 149 149 ASP C C 175.386 0.150 1 669 149 149 ASP CA C 55.658 0.150 1 670 149 149 ASP CB C 41.471 0.150 1 671 149 149 ASP N N 128.848 0.150 1 672 150 150 LYS H H 9.569 0.015 1 673 150 150 LYS C C 176.324 0.150 1 674 150 150 LYS CA C 58.847 0.150 1 675 150 150 LYS CB C 32.585 0.150 1 676 150 150 LYS N N 128.468 0.150 1 677 151 151 ASP H H 8.001 0.015 1 678 151 151 ASP C C 176.756 0.150 1 679 151 151 ASP CA C 57.529 0.150 1 680 151 151 ASP CB C 41.190 0.150 1 681 151 151 ASP N N 119.318 0.150 1 682 152 152 THR H H 6.874 0.015 1 683 152 152 THR C C 172.996 0.150 1 684 152 152 THR CA C 61.334 0.150 1 685 152 152 THR CB C 71.751 0.150 1 686 152 152 THR N N 112.444 0.150 1 687 153 153 VAL H H 8.623 0.015 1 688 153 153 VAL C C 175.169 0.150 1 689 153 153 VAL CA C 62.545 0.150 1 690 153 153 VAL CB C 31.513 0.150 1 691 153 153 VAL N N 129.027 0.150 1 692 154 154 ARG H H 8.542 0.015 1 693 154 154 ARG C C 176.631 0.150 1 694 154 154 ARG CA C 54.191 0.150 1 695 154 154 ARG CB C 33.939 0.150 1 696 154 154 ARG N N 125.689 0.150 1 697 155 155 GLY H H 8.130 0.015 1 698 155 155 GLY C C 173.968 0.150 1 699 155 155 GLY CA C 46.032 0.150 1 700 155 155 GLY N N 110.698 0.150 1 701 156 156 GLN H H 10.661 0.015 1 702 156 156 GLN C C 177.669 0.150 1 703 156 156 GLN CA C 58.369 0.150 1 704 156 156 GLN CB C 29.127 0.150 1 705 156 156 GLN N N 122.599 0.150 1 706 157 157 GLU H H 8.284 0.015 1 707 157 157 GLU C C 176.153 0.150 1 708 157 157 GLU CA C 54.731 0.150 1 709 157 157 GLU CB C 29.120 0.150 1 710 157 157 GLU N N 121.432 0.150 1 711 158 158 GLU H H 8.309 0.015 1 712 158 158 GLU C C 177.874 0.150 1 713 158 158 GLU CA C 59.297 0.150 1 714 158 158 GLU CB C 29.913 0.150 1 715 158 158 GLU N N 127.902 0.150 1 716 159 159 THR H H 8.571 0.015 1 717 159 159 THR C C 172.493 0.150 1 718 159 159 THR CA C 58.323 0.150 1 719 159 159 THR CB C 69.574 0.150 1 720 159 159 THR N N 113.815 0.150 1 721 160 160 PRO C C 176.243 0.150 1 722 160 160 PRO CA C 62.192 0.150 1 723 160 160 PRO CB C 30.919 0.150 1 724 161 161 SER H H 8.908 0.015 1 725 161 161 SER C C 175.371 0.150 1 726 161 161 SER CA C 60.968 0.150 1 727 161 161 SER CB C 64.396 0.150 1 728 161 161 SER N N 116.659 0.150 1 729 162 162 TRP H H 6.173 0.015 1 730 162 162 TRP HE1 H 9.840 0.015 1 731 162 162 TRP C C 177.488 0.150 1 732 162 162 TRP CA C 52.683 0.150 1 733 162 162 TRP CB C 31.238 0.150 1 734 162 162 TRP N N 117.415 0.150 1 735 162 162 TRP NE1 N 130.066 0.150 1 736 163 163 GLU H H 7.703 0.015 1 737 163 163 GLU C C 177.494 0.150 1 738 163 163 GLU CA C 55.009 0.150 1 739 163 163 GLU CB C 30.715 0.150 1 740 163 163 GLU N N 120.008 0.150 1 741 164 164 HIS H H 9.550 0.015 1 742 164 164 HIS C C 175.724 0.150 1 743 164 164 HIS CA C 54.450 0.150 1 744 164 164 HIS CB C 32.633 0.150 1 745 164 164 HIS N N 130.633 0.150 1 746 165 165 ILE H H 9.641 0.015 1 747 165 165 ILE C C 174.119 0.150 1 748 165 165 ILE CA C 57.713 0.150 1 749 165 165 ILE CB C 36.183 0.150 1 750 165 165 ILE N N 134.978 0.150 1 751 166 166 LEU H H 7.697 0.015 1 752 166 166 LEU C C 175.344 0.150 1 753 166 166 LEU CA C 54.977 0.150 1 754 166 166 LEU CB C 42.252 0.150 1 755 166 166 LEU N N 128.981 0.150 1 756 167 167 PHE H H 7.511 0.015 1 757 167 167 PHE C C 176.370 0.150 1 758 167 167 PHE CA C 58.279 0.150 1 759 167 167 PHE CB C 41.587 0.150 1 760 167 167 PHE N N 132.215 0.150 1 761 168 168 THR H H 7.131 0.015 1 762 168 168 THR C C 172.439 0.150 1 763 168 168 THR CA C 65.966 0.150 1 764 168 168 THR CB C 68.354 0.150 1 765 168 168 THR N N 126.174 0.150 1 766 169 169 CYS H H 8.645 0.015 1 767 169 169 CYS C C 174.958 0.150 1 768 169 169 CYS CA C 57.585 0.150 1 769 169 169 CYS CB C 31.611 0.150 1 770 169 169 CYS N N 128.082 0.150 1 771 170 170 CYS C C 175.769 0.150 1 772 170 170 CYS CA C 60.645 0.150 1 773 170 170 CYS CB C 27.160 0.150 1 774 171 171 HIS H H 6.392 0.015 1 775 171 171 HIS C C 176.223 0.150 1 776 171 171 HIS CA C 56.810 0.150 1 777 171 171 HIS CB C 32.515 0.150 1 778 171 171 HIS N N 115.466 0.150 1 779 172 172 ASN H H 7.204 0.015 1 780 172 172 ASN C C 179.379 0.150 1 781 172 172 ASN CA C 52.579 0.150 1 782 172 172 ASN CB C 39.699 0.150 1 783 172 172 ASN N N 114.797 0.150 1 784 173 173 ARG H H 7.310 0.015 1 785 173 173 ARG C C 176.791 0.150 1 786 173 173 ARG CB C 29.892 0.150 1 787 173 173 ARG N N 123.216 0.150 1 788 174 174 HIS C C 176.244 0.150 1 789 174 174 HIS CA C 56.921 0.150 1 790 174 174 HIS CB C 30.358 0.150 1 791 175 175 LEU H H 6.744 0.015 1 792 175 175 LEU C C 177.260 0.150 1 793 175 175 LEU CA C 55.624 0.150 1 794 175 175 LEU CB C 42.196 0.150 1 795 175 175 LEU N N 122.193 0.150 1 796 176 176 VAL H H 8.428 0.015 1 797 176 176 VAL C C 176.766 0.150 1 798 176 176 VAL CA C 62.586 0.150 1 799 176 176 VAL CB C 31.436 0.150 1 800 176 176 VAL N N 127.607 0.150 1 801 177 177 LEU H H 8.255 0.015 1 802 177 177 LEU C C 175.698 0.150 1 803 177 177 LEU CA C 52.833 0.150 1 804 177 177 LEU CB C 41.451 0.150 1 805 177 177 LEU N N 129.617 0.150 1 806 179 179 PRO C C 177.887 0.150 1 807 179 179 PRO CA C 65.113 0.150 1 808 179 179 PRO CB C 31.840 0.150 1 809 180 180 THR H H 7.013 0.015 1 810 180 180 THR C C 175.459 0.150 1 811 180 180 THR CA C 62.471 0.150 1 812 180 180 THR CB C 69.292 0.150 1 813 180 180 THR N N 105.866 0.150 1 814 181 181 ARG H H 7.750 0.015 1 815 181 181 ARG C C 175.706 0.150 1 816 181 181 ARG CA C 55.075 0.150 1 817 181 181 ARG CB C 32.105 0.150 1 818 181 181 ARG N N 122.760 0.150 1 819 182 182 ARG H H 9.336 0.015 1 820 182 182 ARG C C 175.805 0.150 1 821 182 182 ARG CA C 56.762 0.150 1 822 182 182 ARG CB C 33.861 0.150 1 823 182 182 ARG N N 121.619 0.150 1 824 183 183 ARG H H 8.360 0.015 1 825 183 183 ARG C C 175.922 0.150 1 826 183 183 ARG CA C 54.117 0.150 1 827 183 183 ARG CB C 35.097 0.150 1 828 183 183 ARG N N 122.678 0.150 1 829 184 184 LEU H H 8.302 0.015 1 830 184 184 LEU C C 178.879 0.150 1 831 184 184 LEU CA C 52.971 0.150 1 832 184 184 LEU CB C 44.672 0.150 1 833 184 184 LEU N N 124.359 0.150 1 834 185 185 LEU H H 10.481 0.015 1 835 185 185 LEU C C 177.824 0.150 1 836 185 185 LEU CA C 58.002 0.150 1 837 185 185 LEU CB C 41.775 0.150 1 838 185 185 LEU N N 130.548 0.150 1 839 186 186 SER H H 7.330 0.015 1 840 186 186 SER C C 175.173 0.150 1 841 186 186 SER CA C 58.406 0.150 1 842 186 186 SER CB C 63.616 0.150 1 843 186 186 SER N N 109.094 0.150 1 844 187 187 TRP H H 9.578 0.015 1 845 187 187 TRP HE1 H 10.724 0.015 1 846 187 187 TRP C C 176.723 0.150 1 847 187 187 TRP CA C 60.078 0.150 1 848 187 187 TRP CB C 29.337 0.150 1 849 187 187 TRP N N 119.585 0.150 1 850 187 187 TRP NE1 N 134.231 0.150 1 851 188 188 SER H H 8.528 0.015 1 852 188 188 SER C C 175.632 0.150 1 853 188 188 SER CA C 59.589 0.150 1 854 188 188 SER CB C 64.171 0.150 1 855 188 188 SER N N 113.736 0.150 1 856 189 189 ASP H H 7.196 0.015 1 857 189 189 ASP C C 176.348 0.150 1 858 189 189 ASP CA C 53.335 0.150 1 859 189 189 ASP CB C 42.897 0.150 1 860 189 189 ASP N N 122.731 0.150 1 861 190 190 ASN H H 8.975 0.015 1 862 190 190 ASN C C 176.712 0.150 1 863 190 190 ASN CA C 53.238 0.150 1 864 190 190 ASN CB C 36.714 0.150 1 865 190 190 ASN N N 120.154 0.150 1 866 191 191 TRP H H 8.350 0.015 1 867 191 191 TRP HE1 H 10.754 0.015 1 868 191 191 TRP C C 179.229 0.150 1 869 191 191 TRP CA C 58.588 0.150 1 870 191 191 TRP CB C 29.008 0.150 1 871 191 191 TRP N N 123.839 0.150 1 872 191 191 TRP NE1 N 132.359 0.150 1 873 192 192 ARG H H 7.714 0.015 1 874 192 192 ARG C C 179.154 0.150 1 875 192 192 ARG CA C 60.647 0.150 1 876 192 192 ARG CB C 28.620 0.150 1 877 192 192 ARG N N 125.939 0.150 1 878 193 193 GLU H H 7.396 0.015 1 879 193 193 GLU C C 180.224 0.150 1 880 193 193 GLU CA C 59.339 0.150 1 881 193 193 GLU CB C 29.502 0.150 1 882 193 193 GLU N N 118.626 0.150 1 883 194 194 ILE H H 6.996 0.015 1 884 194 194 ILE C C 180.363 0.150 1 885 194 194 ILE CA C 65.253 0.150 1 886 194 194 ILE CB C 37.239 0.150 1 887 194 194 ILE N N 119.580 0.150 1 888 195 195 LEU H H 7.946 0.015 1 889 195 195 LEU C C 179.875 0.150 1 890 195 195 LEU CA C 60.545 0.150 1 891 195 195 LEU CB C 41.703 0.150 1 892 195 195 LEU N N 123.418 0.150 1 893 196 196 ASP H H 8.370 0.015 1 894 196 196 ASP C C 180.343 0.150 1 895 196 196 ASP CA C 57.997 0.150 1 896 196 196 ASP CB C 39.891 0.150 1 897 196 196 ASP N N 117.398 0.150 1 898 197 197 SER H H 7.942 0.015 1 899 197 197 SER C C 176.187 0.150 1 900 197 197 SER CA C 61.485 0.150 1 901 197 197 SER CB C 63.843 0.150 1 902 197 197 SER N N 116.672 0.150 1 903 198 198 LYS H H 7.577 0.015 1 904 198 198 LYS C C 177.537 0.150 1 905 198 198 LYS CA C 54.143 0.150 1 906 198 198 LYS CB C 31.031 0.150 1 907 198 198 LYS N N 120.318 0.150 1 908 199 199 ARG H H 7.469 0.015 1 909 199 199 ARG C C 177.918 0.150 1 910 199 199 ARG CA C 57.909 0.150 1 911 199 199 ARG CB C 30.197 0.150 1 912 199 199 ARG N N 119.462 0.150 1 913 200 200 GLY H H 8.182 0.015 1 914 200 200 GLY C C 174.797 0.150 1 915 200 200 GLY CA C 45.886 0.150 1 916 200 200 GLY N N 109.168 0.150 1 917 201 201 ALA H H 7.948 0.015 1 918 201 201 ALA C C 178.471 0.150 1 919 201 201 ALA CA C 52.939 0.150 1 920 201 201 ALA CB C 19.480 0.150 1 921 201 201 ALA N N 123.990 0.150 1 922 202 202 ALA H H 8.172 0.015 1 923 202 202 ALA C C 178.559 0.150 1 924 202 202 ALA CA C 52.953 0.150 1 925 202 202 ALA CB C 19.331 0.150 1 926 202 202 ALA N N 123.428 0.150 1 927 203 203 GLN H H 8.161 0.015 1 928 203 203 GLN C C 176.605 0.150 1 929 203 203 GLN CA C 56.166 0.150 1 930 203 203 GLN CB C 29.471 0.150 1 931 203 203 GLN N N 119.940 0.150 1 932 204 204 ARG H H 8.213 0.015 1 933 204 204 ARG C C 176.141 0.150 1 934 204 204 ARG CA C 56.469 0.150 1 935 204 204 ARG CB C 30.912 0.150 1 936 204 204 ARG N N 123.309 0.150 1 937 205 205 GLU H H 7.932 0.015 1 938 205 205 GLU C C 181.884 0.150 1 939 205 205 GLU CA C 58.431 0.150 1 940 205 205 GLU CB C 31.038 0.150 1 941 205 205 GLU N N 127.711 0.150 1 stop_ save_