data_27950 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments of apo Vaccinia H1-Related (VHR) protein tyrosine phosphatase (PTP) ; _BMRB_accession_number 27950 _BMRB_flat_file_name bmr27950.str _Entry_type original _Submission_date 2019-06-18 _Accession_date 2019-06-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution state NMR backbone (H, N, CA, CB, C) assignments of apo Vaccinia H1-Related (VHR) protein tyrosine phosphatase (PTP).' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Loria Joseph P. . 2 Beaumont Victor A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 166 "13C chemical shifts" 473 "15N chemical shifts" 166 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-16 original BMRB . stop_ _Original_release_date 2019-06-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution state backbone assignments of Vaccinia H1-Related (VHR) protein tyrosine phosphatase (PTP) ; _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Loria Joseph P. . 2 Beaumont Victor A. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Vaccinia H1-Related PTP (VHR)' _Enzyme_commission_number ec:3.1.3.48 loop_ _Mol_system_component_name _Mol_label 'Vaccinia H1-Related PTP (VHR)' $Vaccinia_H1-Related_PTP stop_ _System_molecular_weight 20500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'Vaccinia H1-Related PTP (VHR)' stop_ loop_ _Biological_function 'phosphatase; hydrolase' stop_ _Database_query_date . _Details polypeptide save_ ######################## # Monomeric polymers # ######################## save_Vaccinia_H1-Related_PTP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Vaccinia_H1-Related_PTP _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Dual specific human phosphatase; hydrolase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; MSGSFELSVQDLNDLLSDGS GCYSLPSQPCNEVTPRIYVG NASVAQDIPKLQKLGITHVL NAAEGRSFMHVNTNANFYKD SGITYLGIKANDTQEFNLSA YFERAADFIDQALAQKNGRV LVHCREGYSRSPTLVIAYLM MRQKMDVKSALSIVRQNREI GPNDGFLAQLCQLNDRLAKE GKLKP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLY 4 SER 5 PHE 6 GLU 7 LEU 8 SER 9 VAL 10 GLN 11 ASP 12 LEU 13 ASN 14 ASP 15 LEU 16 LEU 17 SER 18 ASP 19 GLY 20 SER 21 GLY 22 CYS 23 TYR 24 SER 25 LEU 26 PRO 27 SER 28 GLN 29 PRO 30 CYS 31 ASN 32 GLU 33 VAL 34 THR 35 PRO 36 ARG 37 ILE 38 TYR 39 VAL 40 GLY 41 ASN 42 ALA 43 SER 44 VAL 45 ALA 46 GLN 47 ASP 48 ILE 49 PRO 50 LYS 51 LEU 52 GLN 53 LYS 54 LEU 55 GLY 56 ILE 57 THR 58 HIS 59 VAL 60 LEU 61 ASN 62 ALA 63 ALA 64 GLU 65 GLY 66 ARG 67 SER 68 PHE 69 MET 70 HIS 71 VAL 72 ASN 73 THR 74 ASN 75 ALA 76 ASN 77 PHE 78 TYR 79 LYS 80 ASP 81 SER 82 GLY 83 ILE 84 THR 85 TYR 86 LEU 87 GLY 88 ILE 89 LYS 90 ALA 91 ASN 92 ASP 93 THR 94 GLN 95 GLU 96 PHE 97 ASN 98 LEU 99 SER 100 ALA 101 TYR 102 PHE 103 GLU 104 ARG 105 ALA 106 ALA 107 ASP 108 PHE 109 ILE 110 ASP 111 GLN 112 ALA 113 LEU 114 ALA 115 GLN 116 LYS 117 ASN 118 GLY 119 ARG 120 VAL 121 LEU 122 VAL 123 HIS 124 CYS 125 ARG 126 GLU 127 GLY 128 TYR 129 SER 130 ARG 131 SER 132 PRO 133 THR 134 LEU 135 VAL 136 ILE 137 ALA 138 TYR 139 LEU 140 MET 141 MET 142 ARG 143 GLN 144 LYS 145 MET 146 ASP 147 VAL 148 LYS 149 SER 150 ALA 151 LEU 152 SER 153 ILE 154 VAL 155 ARG 156 GLN 157 ASN 158 ARG 159 GLU 160 ILE 161 GLY 162 PRO 163 ASN 164 ASP 165 GLY 166 PHE 167 LEU 168 ALA 169 GLN 170 LEU 171 CYS 172 GLN 173 LEU 174 ASN 175 ASP 176 ARG 177 LEU 178 ALA 179 LYS 180 GLU 181 GLY 182 LYS 183 LEU 184 LYS 185 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Vaccinia_H1-Related_PTP 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 $Vaccinia_H1-Related_PTP 'recombinant technology' . Escherichia coli BL21 DE3 pet43.1b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Sample concentration determined by absorbance at 280 nm and published extinction coefficient of 11500 (M * cm)^-1.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vaccinia_H1-Related_PTP 540 uM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'pulse field gradient and triple resonance probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model DD2 _Field_strength 800 _Details 'pulse field gradient and triple resonance cryo probe' 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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_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 water C 13 protons ppm 4.83 internal indirect . . . 0.251449530 water H 1 protons ppm 4.83 internal direct . . . 1.000000000 water N 15 protons ppm 4.83 internal 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 HNCACB' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D HN(COCA)CB' '3D HCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Vaccinia H1-Related PTP (VHR)' _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 SER H H 8.521 0.020 1 2 2 2 SER C C 174.886 0.3 1 3 2 2 SER CA C 58.215 0.3 1 4 2 2 SER CB C 62.985 0.3 1 5 2 2 SER N N 117.971 0.3 1 6 3 3 GLY H H 8.408 0.020 1 7 3 3 GLY C C 173.971 0.3 1 8 3 3 GLY CA C 44.812 0.3 1 9 3 3 GLY N N 111.551 0.3 1 10 4 4 SER H H 8.082 0.020 1 11 4 4 SER C C 174.086 0.3 1 12 4 4 SER CA C 57.801 0.3 1 13 4 4 SER CB C 63.083 0.3 1 14 4 4 SER N N 116.077 0.3 1 15 5 5 PHE H H 8.270 0.020 1 16 5 5 PHE C C 175.461 0.3 1 17 5 5 PHE CA C 57.192 0.3 1 18 5 5 PHE CB C 38.633 0.3 1 19 5 5 PHE N N 121.803 0.3 1 20 6 6 GLU H H 8.347 0.020 1 21 6 6 GLU C C 176.242 0.3 1 22 6 6 GLU CA C 57.006 0.3 1 23 6 6 GLU CB C 28.868 0.3 1 24 6 6 GLU N N 122.251 0.3 1 25 7 7 LEU H H 8.151 0.020 1 26 7 7 LEU C C 176.482 0.3 1 27 7 7 LEU CA C 54.940 0.3 1 28 7 7 LEU CB C 41.960 0.3 1 29 7 7 LEU N N 123.596 0.3 1 30 8 8 SER H H 8.734 0.020 1 31 8 8 SER C C 175.413 0.3 1 32 8 8 SER CB C 65.756 0.3 1 33 8 8 SER N N 118.861 0.3 1 34 9 9 VAL H H 8.522 0.020 1 35 9 9 VAL C C 177.881 0.3 1 36 9 9 VAL CA C 66.665 0.3 1 37 9 9 VAL CB C 30.817 0.3 1 38 9 9 VAL N N 121.716 0.3 1 39 10 10 GLN H H 8.123 0.020 1 40 10 10 GLN C C 177.787 0.3 1 41 10 10 GLN CA C 58.220 0.3 1 42 10 10 GLN CB C 27.144 0.3 1 43 10 10 GLN N N 119.881 0.3 1 44 11 11 ASP H H 7.734 0.020 1 45 11 11 ASP C C 179.381 0.3 1 46 11 11 ASP CA C 57.055 0.3 1 47 11 11 ASP CB C 40.157 0.3 1 48 11 11 ASP N N 118.651 0.3 1 49 12 12 LEU H H 7.568 0.020 1 50 12 12 LEU C C 178.537 0.3 1 51 12 12 LEU CA C 56.930 0.3 1 52 12 12 LEU CB C 39.144 0.3 1 53 12 12 LEU N N 118.506 0.3 1 54 13 13 ASN H H 8.559 0.020 1 55 13 13 ASN C C 178.851 0.3 1 56 13 13 ASN CA C 56.525 0.3 1 57 13 13 ASN CB C 38.109 0.3 1 58 13 13 ASN N N 119.454 0.3 1 59 14 14 ASP H H 8.491 0.020 1 60 14 14 ASP C C 178.706 0.3 1 61 14 14 ASP CA C 56.891 0.3 1 62 14 14 ASP CB C 38.928 0.3 1 63 14 14 ASP N N 121.413 0.3 1 64 15 15 LEU H H 7.352 0.020 1 65 15 15 LEU C C 179.139 0.3 1 66 15 15 LEU CA C 56.962 0.3 1 67 15 15 LEU CB C 41.213 0.3 1 68 15 15 LEU N N 121.142 0.3 1 69 16 16 LEU H H 7.829 0.020 1 70 16 16 LEU C C 177.908 0.3 1 71 16 16 LEU CA C 56.098 0.3 1 72 16 16 LEU CB C 41.329 0.3 1 73 16 16 LEU N N 118.304 0.3 1 74 17 17 SER H H 7.776 0.020 1 75 17 17 SER C C 174.523 0.3 1 76 17 17 SER CA C 58.453 0.3 1 77 17 17 SER CB C 63.415 0.3 1 78 17 17 SER N N 114.385 0.3 1 79 18 18 ASP H H 7.949 0.020 1 80 18 18 ASP C C 177.231 0.3 1 81 18 18 ASP CA C 54.023 0.3 1 82 18 18 ASP CB C 40.179 0.3 1 83 18 18 ASP N N 122.680 0.3 1 84 19 19 GLY H H 8.462 0.020 1 85 19 19 GLY C C 175.075 0.3 1 86 19 19 GLY CA C 45.513 0.3 1 87 19 19 GLY N N 110.178 0.3 1 88 20 20 SER H H 8.307 0.020 1 89 20 20 SER C C 175.369 0.3 1 90 20 20 SER CA C 58.772 0.3 1 91 20 20 SER CB C 63.291 0.3 1 92 20 20 SER N N 116.771 0.3 1 93 21 21 GLY H H 8.365 0.020 1 94 21 21 GLY C C 173.822 0.3 1 95 21 21 GLY CA C 45.050 0.3 1 96 21 21 GLY N N 111.074 0.3 1 97 22 22 CYS H H 7.843 0.020 1 98 22 22 CYS C C 174.040 0.3 1 99 22 22 CYS CA C 57.666 0.3 1 100 22 22 CYS CB C 28.280 0.3 1 101 22 22 CYS N N 118.535 0.3 1 102 23 23 TYR H H 8.402 0.020 1 103 23 23 TYR C C 176.095 0.3 1 104 23 23 TYR CA C 56.890 0.3 1 105 23 23 TYR CB C 37.497 0.3 1 106 23 23 TYR N N 123.952 0.3 1 107 24 24 SER H H 8.398 0.020 1 108 24 24 SER C C 172.691 0.3 1 109 24 24 SER CA C 57.901 0.3 1 110 24 24 SER CB C 63.403 0.3 1 111 24 24 SER N N 118.247 0.3 1 112 25 25 LEU H H 8.098 0.020 1 113 25 25 LEU C C 175.590 0.3 1 114 25 25 LEU CA C 51.820 0.3 1 115 25 25 LEU CB C 42.266 0.3 1 116 25 25 LEU N N 123.891 0.3 1 117 27 27 SER H H 8.533 0.020 1 118 27 27 SER C C 174.692 0.3 1 119 27 27 SER CA C 58.676 0.3 1 120 27 27 SER CB C 62.785 0.3 1 121 27 27 SER N N 118.796 0.3 1 122 28 28 GLN H H 8.852 0.020 1 123 28 28 GLN C C 175.430 0.3 1 124 28 28 GLN CA C 52.751 0.3 1 125 28 28 GLN CB C 29.528 0.3 1 126 28 28 GLN N N 123.139 0.3 1 127 30 30 CYS H H 7.108 0.020 1 128 30 30 CYS C C 172.121 0.3 1 129 30 30 CYS CA C 55.490 0.3 1 130 30 30 CYS CB C 30.401 0.3 1 131 30 30 CYS N N 107.026 0.3 1 132 31 31 ASN H H 8.678 0.020 1 133 31 31 ASN C C 172.419 0.3 1 134 31 31 ASN CA C 53.458 0.3 1 135 31 31 ASN CB C 44.028 0.3 1 136 31 31 ASN N N 117.149 0.3 1 137 32 32 GLU H H 9.035 0.020 1 138 32 32 GLU C C 176.320 0.3 1 139 32 32 GLU CA C 55.318 0.3 1 140 32 32 GLU CB C 28.186 0.3 1 141 32 32 GLU N N 127.298 0.3 1 142 33 33 VAL H H 8.574 0.020 1 143 33 33 VAL C C 173.910 0.3 1 144 33 33 VAL CA C 62.040 0.3 1 145 33 33 VAL CB C 30.596 0.3 1 146 33 33 VAL N N 123.298 0.3 1 147 34 34 THR H H 7.902 0.020 1 148 34 34 THR C C 170.916 0.3 1 149 34 34 THR CA C 60.080 0.3 1 150 34 34 THR CB C 69.223 0.3 1 151 34 34 THR N N 117.277 0.3 1 152 36 36 ARG H H 9.944 0.020 1 153 36 36 ARG C C 173.315 0.3 1 154 36 36 ARG CA C 59.392 0.3 1 155 36 36 ARG CB C 29.978 0.3 1 156 36 36 ARG N N 117.372 0.3 1 157 37 37 ILE H H 8.399 0.020 1 158 37 37 ILE C C 174.016 0.3 1 159 37 37 ILE CA C 61.042 0.3 1 160 37 37 ILE CB C 37.320 0.3 1 161 37 37 ILE N N 118.647 0.3 1 162 38 38 TYR H H 9.486 0.020 1 163 38 38 TYR C C 175.504 0.3 1 164 38 38 TYR CA C 55.098 0.3 1 165 38 38 TYR CB C 40.129 0.3 1 166 38 38 TYR N N 126.126 0.3 1 167 39 39 VAL H H 8.693 0.020 1 168 39 39 VAL C C 176.143 0.3 1 169 39 39 VAL CA C 59.414 0.3 1 170 39 39 VAL CB C 33.808 0.3 1 171 39 39 VAL N N 120.733 0.3 1 172 40 40 GLY H H 7.536 0.020 1 173 40 40 GLY C C 170.074 0.3 1 174 40 40 GLY CA C 45.544 0.3 1 175 40 40 GLY N N 110.842 0.3 1 176 41 41 ASN H H 7.558 0.020 1 177 41 41 ASN C C 174.741 0.3 1 178 41 41 ASN CA C 50.008 0.3 1 179 41 41 ASN CB C 39.606 0.3 1 180 41 41 ASN N N 117.480 0.3 1 181 42 42 ALA H H 7.685 0.020 1 182 42 42 ALA C C 179.160 0.3 1 183 42 42 ALA CA C 54.125 0.3 1 184 42 42 ALA CB C 19.576 0.3 1 185 42 42 ALA N N 117.678 0.3 1 186 43 43 SER H H 7.748 0.020 1 187 43 43 SER C C 177.691 0.3 1 188 43 43 SER CA C 60.817 0.3 1 189 43 43 SER CB C 61.965 0.3 1 190 43 43 SER N N 113.691 0.3 1 191 44 44 VAL H H 7.627 0.020 1 192 44 44 VAL C C 175.993 0.3 1 193 44 44 VAL CA C 63.998 0.3 1 194 44 44 VAL CB C 30.297 0.3 1 195 44 44 VAL N N 121.804 0.3 1 196 45 45 ALA H H 6.536 0.020 1 197 45 45 ALA C C 178.676 0.3 1 198 45 45 ALA CA C 53.714 0.3 1 199 45 45 ALA CB C 15.816 0.3 1 200 45 45 ALA N N 119.255 0.3 1 201 46 46 GLN H H 6.958 0.020 1 202 46 46 GLN C C 173.097 0.3 1 203 46 46 GLN CA C 54.845 0.3 1 204 46 46 GLN CB C 29.464 0.3 1 205 46 46 GLN N N 111.812 0.3 1 206 47 47 ASP H H 7.377 0.020 1 207 47 47 ASP C C 174.304 0.3 1 208 47 47 ASP CA C 51.119 0.3 1 209 47 47 ASP CB C 39.954 0.3 1 210 47 47 ASP N N 124.406 0.3 1 211 48 48 ILE H H 8.439 0.020 1 212 48 48 ILE C C 175.014 0.3 1 213 48 48 ILE CA C 66.457 0.3 1 214 48 48 ILE CB C 33.863 0.3 1 215 48 48 ILE N N 122.483 0.3 1 216 50 50 LYS H H 7.392 0.020 1 217 50 50 LYS C C 178.688 0.3 1 218 50 50 LYS CA C 58.620 0.3 1 219 50 50 LYS CB C 30.430 0.3 1 220 50 50 LYS N N 119.764 0.3 1 221 51 51 LEU H H 8.246 0.020 1 222 51 51 LEU C C 179.891 0.3 1 223 51 51 LEU CA C 57.570 0.3 1 224 51 51 LEU CB C 39.747 0.3 1 225 51 51 LEU N N 119.764 0.3 1 226 52 52 GLN H H 8.689 0.020 1 227 52 52 GLN C C 180.491 0.3 1 228 52 52 GLN CA C 58.291 0.3 1 229 52 52 GLN CB C 26.951 0.3 1 230 52 52 GLN N N 117.146 0.3 1 231 53 53 LYS H H 8.037 0.020 1 232 53 53 LYS C C 178.972 0.3 1 233 53 53 LYS CA C 58.497 0.3 1 234 53 53 LYS CB C 31.031 0.3 1 235 53 53 LYS N N 123.422 0.3 1 236 54 54 LEU H H 7.805 0.020 1 237 54 54 LEU C C 176.571 0.3 1 238 54 54 LEU CA C 55.057 0.3 1 239 54 54 LEU CB C 41.989 0.3 1 240 54 54 LEU N N 118.882 0.3 1 241 55 55 GLY H H 7.559 0.020 1 242 55 55 GLY C C 174.760 0.3 1 243 55 55 GLY CA C 44.821 0.3 1 244 55 55 GLY N N 106.968 0.3 1 245 56 56 ILE H H 7.878 0.020 1 246 56 56 ILE C C 175.103 0.3 1 247 56 56 ILE CA C 59.734 0.3 1 248 56 56 ILE CB C 34.668 0.3 1 249 56 56 ILE N N 119.605 0.3 1 250 57 57 THR H H 8.756 0.020 1 251 57 57 THR C C 175.301 0.3 1 252 57 57 THR CA C 61.944 0.3 1 253 57 57 THR CB C 69.438 0.3 1 254 57 57 THR N N 117.244 0.3 1 255 58 58 HIS H H 8.084 0.020 1 256 58 58 HIS C C 172.927 0.3 1 257 58 58 HIS CA C 55.481 0.3 1 258 58 58 HIS CB C 33.451 0.3 1 259 58 58 HIS N N 126.094 0.3 1 260 59 59 VAL H H 9.173 0.020 1 261 59 59 VAL C C 171.161 0.3 1 262 59 59 VAL CA C 60.584 0.3 1 263 59 59 VAL CB C 34.489 0.3 1 264 59 59 VAL N N 123.567 0.3 1 265 60 60 LEU H H 9.365 0.020 1 266 60 60 LEU C C 174.184 0.3 1 267 60 60 LEU CA C 52.281 0.3 1 268 60 60 LEU CB C 42.973 0.3 1 269 60 60 LEU N N 130.753 0.3 1 270 61 61 ASN H H 8.316 0.020 1 271 61 61 ASN C C 173.517 0.3 1 272 61 61 ASN CA C 50.780 0.3 1 273 61 61 ASN CB C 38.164 0.3 1 274 61 61 ASN N N 122.960 0.3 1 275 62 62 ALA H H 8.564 0.020 1 276 62 62 ALA C C 173.382 0.3 1 277 62 62 ALA CA C 50.476 0.3 1 278 62 62 ALA CB C 17.599 0.3 1 279 62 62 ALA N N 127.057 0.3 1 280 63 63 ALA H H 8.298 0.020 1 281 63 63 ALA C C 175.253 0.3 1 282 63 63 ALA CA C 49.128 0.3 1 283 63 63 ALA CB C 19.576 0.3 1 284 63 63 ALA N N 120.348 0.3 1 285 64 64 GLU H H 7.734 0.020 1 286 64 64 GLU C C 174.943 0.3 1 287 64 64 GLU CA C 58.159 0.3 1 288 64 64 GLU CB C 29.606 0.3 1 289 64 64 GLU N N 124.630 0.3 1 290 65 65 GLY H H 7.403 0.020 1 291 65 65 GLY C C 171.393 0.3 1 292 65 65 GLY CA C 44.476 0.3 1 293 65 65 GLY N N 112.010 0.3 1 294 66 66 ARG H H 7.976 0.020 1 295 66 66 ARG C C 171.295 0.3 1 296 66 66 ARG CA C 54.903 0.3 1 297 66 66 ARG CB C 30.567 0.3 1 298 66 66 ARG N N 115.545 0.3 1 299 69 69 MET H H 8.150 0.020 1 300 69 69 MET CB C 40.083 0.3 1 301 69 69 MET N N 118.232 0.3 1 302 71 71 VAL H H 9.374 0.020 1 303 71 71 VAL C C 176.041 0.3 1 304 71 71 VAL CA C 61.622 0.3 1 305 71 71 VAL CB C 31.405 0.3 1 306 71 71 VAL N N 120.851 0.3 1 307 72 72 ASN H H 9.081 0.020 1 308 72 72 ASN CA C 51.974 0.3 1 309 72 72 ASN CB C 36.229 0.3 1 310 72 72 ASN N N 130.419 0.3 1 311 73 73 THR H H 7.566 0.020 1 312 73 73 THR C C 173.629 0.3 1 313 73 73 THR CA C 63.147 0.3 1 314 73 73 THR CB C 69.094 0.3 1 315 73 73 THR N N 113.224 0.3 1 316 74 74 ASN H H 6.606 0.020 1 317 74 74 ASN CA C 51.196 0.3 1 318 74 74 ASN CB C 37.785 0.3 1 319 74 74 ASN N N 108.259 0.3 1 320 75 75 ALA H H 8.786 0.020 1 321 75 75 ALA C C 181.089 0.3 1 322 75 75 ALA CA C 55.252 0.3 1 323 75 75 ALA CB C 17.286 0.3 1 324 75 75 ALA N N 120.429 0.3 1 325 76 76 ASN H H 8.175 0.020 1 326 76 76 ASN C C 177.246 0.3 1 327 76 76 ASN CA C 55.478 0.3 1 328 76 76 ASN CB C 37.061 0.3 1 329 76 76 ASN N N 117.191 0.3 1 330 77 77 PHE H H 7.673 0.020 1 331 77 77 PHE C C 175.560 0.3 1 332 77 77 PHE CA C 60.358 0.3 1 333 77 77 PHE CB C 38.623 0.3 1 334 77 77 PHE N N 122.251 0.3 1 335 78 78 TYR H H 6.822 0.020 1 336 78 78 TYR C C 176.554 0.3 1 337 78 78 TYR CA C 58.297 0.3 1 338 78 78 TYR CB C 39.317 0.3 1 339 78 78 TYR N N 112.075 0.3 1 340 79 79 LYS H H 7.348 0.020 1 341 79 79 LYS CB C 39.997 0.3 1 342 79 79 LYS N N 123.903 0.3 1 343 80 80 ASP H H 8.829 0.020 1 344 80 80 ASP CA C 56.260 0.3 1 345 80 80 ASP CB C 39.035 0.3 1 346 80 80 ASP N N 120.661 0.3 1 347 81 81 SER H H 7.962 0.020 1 348 81 81 SER C C 175.336 0.3 1 349 81 81 SER CA C 59.026 0.3 1 350 81 81 SER CB C 64.816 0.3 1 351 81 81 SER N N 113.473 0.3 1 352 83 83 ILE H H 7.524 0.020 1 353 83 83 ILE CA C 60.872 0.3 1 354 83 83 ILE CB C 38.613 0.3 1 355 83 83 ILE N N 123.320 0.3 1 356 84 84 THR H H 8.138 0.020 1 357 84 84 THR C C 172.124 0.3 1 358 84 84 THR CA C 62.894 0.3 1 359 84 84 THR CB C 68.591 0.3 1 360 84 84 THR N N 126.979 0.3 1 361 85 85 TYR H H 8.833 0.020 1 362 85 85 TYR C C 173.661 0.3 1 363 85 85 TYR CA C 57.127 0.3 1 364 85 85 TYR CB C 42.843 0.3 1 365 85 85 TYR N N 129.886 0.3 1 366 86 86 LEU H H 7.698 0.020 1 367 86 86 LEU C C 171.860 0.3 1 368 86 86 LEU CA C 54.331 0.3 1 369 86 86 LEU CB C 41.860 0.3 1 370 86 86 LEU N N 131.375 0.3 1 371 87 87 GLY H H 8.203 0.020 1 372 87 87 GLY C C 172.985 0.3 1 373 87 87 GLY CA C 42.891 0.3 1 374 87 87 GLY N N 113.961 0.3 1 375 88 88 ILE H H 9.000 0.020 1 376 88 88 ILE C C 175.197 0.3 1 377 88 88 ILE CA C 59.108 0.3 1 378 88 88 ILE CB C 39.659 0.3 1 379 88 88 ILE N N 124.488 0.3 1 380 89 89 LYS H H 8.431 0.020 1 381 89 89 LYS C C 175.828 0.3 1 382 89 89 LYS CA C 54.150 0.3 1 383 89 89 LYS CB C 29.495 0.3 1 384 89 89 LYS N N 130.218 0.3 1 385 90 90 ALA H H 7.140 0.020 1 386 90 90 ALA CB C 19.323 0.3 1 387 90 90 ALA N N 123.722 0.3 1 388 92 92 ASP H H 9.041 0.020 1 389 92 92 ASP C C 174.805 0.3 1 390 92 92 ASP CA C 50.579 0.3 1 391 92 92 ASP CB C 39.054 0.3 1 392 92 92 ASP N N 123.966 0.3 1 393 93 93 THR H H 7.406 0.020 1 394 93 93 THR C C 174.534 0.3 1 395 93 93 THR CA C 58.541 0.3 1 396 93 93 THR CB C 70.145 0.3 1 397 93 93 THR N N 111.853 0.3 1 398 94 94 GLN H H 8.618 0.020 1 399 94 94 GLN C C 175.992 0.3 1 400 94 94 GLN CA C 56.968 0.3 1 401 94 94 GLN CB C 27.256 0.3 1 402 94 94 GLN N N 119.674 0.3 1 403 95 95 GLU H H 8.084 0.020 1 404 95 95 GLU C C 176.351 0.3 1 405 95 95 GLU CA C 55.789 0.3 1 406 95 95 GLU CB C 28.631 0.3 1 407 95 95 GLU N N 115.259 0.3 1 408 96 96 PHE H H 7.723 0.020 1 409 96 96 PHE C C 176.172 0.3 1 410 96 96 PHE CA C 59.427 0.3 1 411 96 96 PHE CB C 40.322 0.3 1 412 96 96 PHE N N 124.381 0.3 1 413 97 97 ASN H H 8.111 0.020 1 414 97 97 ASN C C 174.765 0.3 1 415 97 97 ASN CA C 51.255 0.3 1 416 97 97 ASN CB C 35.455 0.3 1 417 97 97 ASN N N 126.011 0.3 1 418 98 98 LEU H H 8.329 0.020 1 419 98 98 LEU C C 177.649 0.3 1 420 98 98 LEU CA C 55.393 0.3 1 421 98 98 LEU CB C 41.885 0.3 1 422 98 98 LEU N N 130.137 0.3 1 423 99 99 SER H H 8.041 0.020 1 424 99 99 SER C C 176.002 0.3 1 425 99 99 SER CA C 58.614 0.3 1 426 99 99 SER CB C 62.354 0.3 1 427 99 99 SER N N 115.027 0.3 1 428 100 100 ALA H H 6.659 0.020 1 429 100 100 ALA C C 177.981 0.3 1 430 100 100 ALA CA C 53.045 0.3 1 431 100 100 ALA CB C 17.078 0.3 1 432 100 100 ALA N N 124.038 0.3 1 433 101 101 TYR H H 8.229 0.020 1 434 101 101 TYR C C 175.434 0.3 1 435 101 101 TYR CA C 57.700 0.3 1 436 101 101 TYR CB C 38.657 0.3 1 437 101 101 TYR N N 115.239 0.3 1 438 102 102 PHE H H 7.349 0.020 1 439 102 102 PHE C C 178.021 0.3 1 440 102 102 PHE CA C 57.121 0.3 1 441 102 102 PHE CB C 35.816 0.3 1 442 102 102 PHE N N 119.388 0.3 1 443 103 103 GLU H H 8.848 0.020 1 444 103 103 GLU C C 177.661 0.3 1 445 103 103 GLU CA C 59.780 0.3 1 446 103 103 GLU CB C 27.693 0.3 1 447 103 103 GLU N N 119.894 0.3 1 448 104 104 ARG H H 8.321 0.020 1 449 104 104 ARG C C 179.964 0.3 1 450 104 104 ARG CA C 58.133 0.3 1 451 104 104 ARG CB C 29.092 0.3 1 452 104 104 ARG N N 119.996 0.3 1 453 105 105 ALA H H 8.498 0.020 1 454 105 105 ALA C C 178.126 0.3 1 455 105 105 ALA CA C 54.476 0.3 1 456 105 105 ALA CB C 18.758 0.3 1 457 105 105 ALA N N 121.008 0.3 1 458 106 106 ALA H H 8.419 0.020 1 459 106 106 ALA C C 179.129 0.3 1 460 106 106 ALA CA C 55.010 0.3 1 461 106 106 ALA CB C 16.678 0.3 1 462 106 106 ALA N N 120.646 0.3 1 463 107 107 ASP H H 8.558 0.020 1 464 107 107 ASP C C 178.174 0.3 1 465 107 107 ASP CA C 56.853 0.3 1 466 107 107 ASP CB C 39.528 0.3 1 467 107 107 ASP N N 117.841 0.3 1 468 108 108 PHE H H 7.613 0.020 1 469 108 108 PHE C C 176.622 0.3 1 470 108 108 PHE CA C 61.247 0.3 1 471 108 108 PHE CB C 39.277 0.3 1 472 108 108 PHE N N 122.280 0.3 1 473 109 109 ILE H H 8.132 0.020 1 474 109 109 ILE C C 177.210 0.3 1 475 109 109 ILE CA C 65.576 0.3 1 476 109 109 ILE CB C 36.781 0.3 1 477 109 109 ILE N N 119.886 0.3 1 478 110 110 ASP H H 8.378 0.020 1 479 110 110 ASP C C 179.446 0.3 1 480 110 110 ASP CA C 56.855 0.3 1 481 110 110 ASP CB C 40.137 0.3 1 482 110 110 ASP N N 117.783 0.3 1 483 111 111 GLN H H 7.798 0.020 1 484 111 111 GLN C C 178.344 0.3 1 485 111 111 GLN CA C 58.141 0.3 1 486 111 111 GLN CB C 26.894 0.3 1 487 111 111 GLN N N 120.025 0.3 1 488 112 112 ALA H H 7.214 0.020 1 489 112 112 ALA C C 178.386 0.3 1 490 112 112 ALA CA C 54.065 0.3 1 491 112 112 ALA CB C 17.336 0.3 1 492 112 112 ALA N N 122.757 0.3 1 493 113 113 LEU H H 7.635 0.020 1 494 113 113 LEU C C 178.948 0.3 1 495 113 113 LEU CA C 55.431 0.3 1 496 113 113 LEU CB C 39.748 0.3 1 497 113 113 LEU N N 113.648 0.3 1 498 114 114 ALA H H 7.557 0.020 1 499 114 114 ALA C C 178.787 0.3 1 500 114 114 ALA CA C 52.787 0.3 1 501 114 114 ALA CB C 17.390 0.3 1 502 114 114 ALA N N 121.557 0.3 1 503 115 115 GLN H H 7.089 0.020 1 504 115 115 GLN C C 177.497 0.3 1 505 115 115 GLN CA C 54.156 0.3 1 506 115 115 GLN CB C 28.012 0.3 1 507 115 115 GLN N N 117.856 0.3 1 508 116 116 LYS H H 8.805 0.020 1 509 116 116 LYS C C 177.280 0.3 1 510 116 116 LYS CA C 58.429 0.3 1 511 116 116 LYS CB C 30.768 0.3 1 512 116 116 LYS N N 127.587 0.3 1 513 118 118 GLY H H 7.845 0.020 1 514 118 118 GLY C C 174.487 0.3 1 515 118 118 GLY CA C 45.410 0.3 1 516 118 118 GLY N N 108.778 0.3 1 517 119 119 ARG H H 8.562 0.020 1 518 119 119 ARG C C 174.609 0.3 1 519 119 119 ARG CA C 55.634 0.3 1 520 119 119 ARG CB C 34.460 0.3 1 521 119 119 ARG N N 121.737 0.3 1 522 120 120 VAL H H 8.769 0.020 1 523 120 120 VAL C C 171.997 0.3 1 524 120 120 VAL CA C 56.401 0.3 1 525 120 120 VAL CB C 34.686 0.3 1 526 120 120 VAL N N 121.239 0.3 1 527 121 121 LEU H H 8.720 0.020 1 528 121 121 LEU C C 173.393 0.3 1 529 121 121 LEU CA C 52.592 0.3 1 530 121 121 LEU CB C 43.166 0.3 1 531 121 121 LEU N N 127.992 0.3 1 532 122 122 VAL H H 9.461 0.020 1 533 122 122 VAL C C 174.712 0.3 1 534 122 122 VAL CA C 60.055 0.3 1 535 122 122 VAL CB C 30.363 0.3 1 536 122 122 VAL N N 130.247 0.3 1 537 123 123 HIS H H 9.115 0.020 1 538 123 123 HIS C C 171.857 0.3 1 539 123 123 HIS CA C 52.934 0.3 1 540 123 123 HIS CB C 32.121 0.3 1 541 123 123 HIS N N 123.201 0.3 1 542 124 124 CYS H H 7.006 0.020 1 543 124 124 CYS C C 176.044 0.3 1 544 124 124 CYS CA C 56.844 0.3 1 545 124 124 CYS CB C 28.204 0.3 1 546 124 124 CYS N N 118.753 0.3 1 547 128 128 TYR H H 8.047 0.020 1 548 128 128 TYR C C 175.653 0.3 1 549 128 128 TYR CA C 56.336 0.3 1 550 128 128 TYR CB C 38.288 0.3 1 551 128 128 TYR N N 123.786 0.3 1 552 129 129 SER H H 8.403 0.020 1 553 129 129 SER C C 173.483 0.3 1 554 129 129 SER CA C 57.580 0.3 1 555 129 129 SER CB C 63.399 0.3 1 556 129 129 SER N N 119.157 0.3 1 557 130 130 ARG H H 7.711 0.020 1 558 130 130 ARG CA C 52.433 0.3 1 559 130 130 ARG CB C 29.533 0.3 1 560 130 130 ARG N N 124.877 0.3 1 561 133 133 THR H H 6.965 0.020 1 562 133 133 THR C C 175.198 0.3 1 563 133 133 THR CA C 68.296 0.3 1 564 133 133 THR CB C 66.413 0.3 1 565 133 133 THR N N 113.446 0.3 1 566 134 134 LEU H H 6.835 0.020 1 567 134 134 LEU C C 178.592 0.3 1 568 134 134 LEU CA C 56.903 0.3 1 569 134 134 LEU CB C 40.458 0.3 1 570 134 134 LEU N N 116.540 0.3 1 571 135 135 VAL H H 6.953 0.020 1 572 135 135 VAL C C 176.394 0.3 1 573 135 135 VAL CA C 66.428 0.3 1 574 135 135 VAL CB C 30.392 0.3 1 575 135 135 VAL N N 118.145 0.3 1 576 136 136 ILE H H 8.338 0.020 1 577 136 136 ILE C C 176.603 0.3 1 578 136 136 ILE CA C 65.485 0.3 1 579 136 136 ILE CB C 36.368 0.3 1 580 136 136 ILE N N 121.095 0.3 1 581 137 137 ALA H H 7.563 0.020 1 582 137 137 ALA C C 178.826 0.3 1 583 137 137 ALA CA C 54.313 0.3 1 584 137 137 ALA CB C 14.892 0.3 1 585 137 137 ALA N N 119.504 0.3 1 586 138 138 TYR H H 7.624 0.020 1 587 138 138 TYR C C 176.409 0.3 1 588 138 138 TYR CA C 61.920 0.3 1 589 138 138 TYR CB C 36.958 0.3 1 590 138 138 TYR N N 118.535 0.3 1 591 139 139 LEU H H 8.188 0.020 1 592 139 139 LEU C C 179.905 0.3 1 593 139 139 LEU CA C 57.192 0.3 1 594 139 139 LEU CB C 40.352 0.3 1 595 139 139 LEU N N 121.601 0.3 1 596 140 140 MET H H 7.688 0.020 1 597 140 140 MET C C 177.778 0.3 1 598 140 140 MET CA C 57.395 0.3 1 599 140 140 MET CB C 33.399 0.3 1 600 140 140 MET N N 118.492 0.3 1 601 141 141 MET H H 8.377 0.020 1 602 141 141 MET C C 178.150 0.3 1 603 141 141 MET CA C 58.294 0.3 1 604 141 141 MET CB C 34.881 0.3 1 605 141 141 MET N N 114.602 0.3 1 606 142 142 ARG H H 8.585 0.020 1 607 142 142 ARG C C 177.763 0.3 1 608 142 142 ARG CA C 53.610 0.3 1 609 142 142 ARG CB C 28.648 0.3 1 610 142 142 ARG N N 113.185 0.3 1 611 143 143 GLN H H 6.883 0.020 1 612 143 143 GLN C C 174.821 0.3 1 613 143 143 GLN CA C 54.321 0.3 1 614 143 143 GLN CB C 26.680 0.3 1 615 143 143 GLN N N 115.528 0.3 1 616 144 144 LYS H H 6.910 0.020 1 617 144 144 LYS C C 174.808 0.3 1 618 144 144 LYS CA C 56.734 0.3 1 619 144 144 LYS CB C 27.370 0.3 1 620 144 144 LYS N N 112.983 0.3 1 621 145 145 MET H H 7.339 0.020 1 622 145 145 MET C C 174.209 0.3 1 623 145 145 MET CA C 54.772 0.3 1 624 145 145 MET CB C 34.491 0.3 1 625 145 145 MET N N 117.740 0.3 1 626 146 146 ASP H H 7.862 0.020 1 627 146 146 ASP C C 176.458 0.3 1 628 146 146 ASP CA C 52.433 0.3 1 629 146 146 ASP CB C 41.074 0.3 1 630 146 146 ASP N N 117.176 0.3 1 631 147 147 VAL H H 8.287 0.020 1 632 147 147 VAL C C 175.192 0.3 1 633 147 147 VAL CA C 63.991 0.3 1 634 147 147 VAL CB C 30.466 0.3 1 635 147 147 VAL N N 119.200 0.3 1 636 148 148 LYS H H 7.608 0.020 1 637 148 148 LYS C C 179.142 0.3 1 638 148 148 LYS CA C 60.322 0.3 1 639 148 148 LYS CB C 30.551 0.3 1 640 148 148 LYS N N 121.427 0.3 1 641 149 149 SER H H 8.077 0.020 1 642 149 149 SER C C 176.298 0.3 1 643 149 149 SER CA C 61.506 0.3 1 644 149 149 SER CB C 62.580 0.3 1 645 149 149 SER N N 118.500 0.3 1 646 150 150 ALA H H 8.351 0.020 1 647 150 150 ALA C C 178.005 0.3 1 648 150 150 ALA CA C 54.375 0.3 1 649 150 150 ALA CB C 19.920 0.3 1 650 150 150 ALA N N 124.478 0.3 1 651 151 151 LEU H H 8.561 0.020 1 652 151 151 LEU C C 178.561 0.3 1 653 151 151 LEU CA C 58.505 0.3 1 654 151 151 LEU CB C 41.454 0.3 1 655 151 151 LEU N N 118.044 0.3 1 656 152 152 SER H H 8.006 0.020 1 657 152 152 SER CA C 62.269 0.3 1 658 152 152 SER CB C 63.399 0.3 1 659 152 152 SER N N 113.402 0.3 1 660 153 153 ILE H H 7.680 0.020 1 661 153 153 ILE C C 177.408 0.3 1 662 153 153 ILE CA C 63.499 0.3 1 663 153 153 ILE CB C 36.750 0.3 1 664 153 153 ILE N N 121.818 0.3 1 665 154 154 VAL H H 7.265 0.020 1 666 154 154 VAL C C 177.642 0.3 1 667 154 154 VAL CA C 66.812 0.3 1 668 154 154 VAL CB C 30.128 0.3 1 669 154 154 VAL N N 119.446 0.3 1 670 155 155 ARG H H 8.526 0.020 1 671 155 155 ARG C C 176.941 0.3 1 672 155 155 ARG CA C 55.225 0.3 1 673 155 155 ARG CB C 28.215 0.3 1 674 155 155 ARG N N 118.391 0.3 1 675 156 156 GLN H H 7.724 0.020 1 676 156 156 GLN C C 176.251 0.3 1 677 156 156 GLN CA C 57.460 0.3 1 678 156 156 GLN CB C 27.665 0.3 1 679 156 156 GLN N N 118.252 0.3 1 680 157 157 ASN H H 7.565 0.020 1 681 157 157 ASN CA C 53.258 0.3 1 682 157 157 ASN CB C 42.215 0.3 1 683 157 157 ASN N N 114.328 0.3 1 684 158 158 ARG H H 7.886 0.020 1 685 158 158 ARG C C 172.745 0.3 1 686 158 158 ARG CA C 56.507 0.3 1 687 158 158 ARG CB C 31.658 0.3 1 688 158 158 ARG N N 121.386 0.3 1 689 159 159 GLU H H 8.906 0.020 1 690 159 159 GLU C C 176.296 0.3 1 691 159 159 GLU CA C 57.467 0.3 1 692 159 159 GLU CB C 26.862 0.3 1 693 159 159 GLU N N 126.653 0.3 1 694 161 161 GLY H H 7.629 0.020 1 695 161 161 GLY C C 172.746 0.3 1 696 161 161 GLY CA C 47.082 0.3 1 697 161 161 GLY N N 104.516 0.3 1 698 163 163 ASN H H 6.839 0.020 1 699 163 163 ASN C C 174.131 0.3 1 700 163 163 ASN CA C 53.113 0.3 1 701 163 163 ASN CB C 37.301 0.3 1 702 163 163 ASN N N 117.935 0.3 1 703 164 164 ASP H H 8.772 0.020 1 704 164 164 ASP C C 180.060 0.3 1 705 164 164 ASP CA C 57.527 0.3 1 706 164 164 ASP CB C 39.512 0.3 1 707 164 164 ASP N N 118.079 0.3 1 708 165 165 GLY H H 8.700 0.020 1 709 165 165 GLY C C 176.458 0.3 1 710 165 165 GLY CA C 46.672 0.3 1 711 165 165 GLY N N 110.943 0.3 1 712 166 166 PHE H H 7.634 0.020 1 713 166 166 PHE C C 179.435 0.3 1 714 166 166 PHE CA C 56.545 0.3 1 715 166 166 PHE CB C 34.929 0.3 1 716 166 166 PHE N N 125.068 0.3 1 717 167 167 LEU H H 8.582 0.020 1 718 167 167 LEU C C 179.190 0.3 1 719 167 167 LEU CA C 57.775 0.3 1 720 167 167 LEU CB C 39.976 0.3 1 721 167 167 LEU N N 118.044 0.3 1 722 168 168 ALA H H 8.223 0.020 1 723 168 168 ALA C C 180.833 0.3 1 724 168 168 ALA CA C 55.480 0.3 1 725 168 168 ALA CB C 16.766 0.3 1 726 168 168 ALA N N 124.112 0.3 1 727 169 169 GLN H H 8.381 0.020 1 728 169 169 GLN C C 180.617 0.3 1 729 169 169 GLN CA C 58.931 0.3 1 730 169 169 GLN CB C 27.914 0.3 1 731 169 169 GLN N N 119.878 0.3 1 732 170 170 LEU H H 8.473 0.020 1 733 170 170 LEU C C 179.539 0.3 1 734 170 170 LEU CA C 57.429 0.3 1 735 170 170 LEU CB C 40.714 0.3 1 736 170 170 LEU N N 122.656 0.3 1 737 171 171 CYS H H 8.335 0.020 1 738 171 171 CYS C C 177.038 0.3 1 739 171 171 CYS CA C 64.743 0.3 1 740 171 171 CYS CB C 25.717 0.3 1 741 171 171 CYS N N 120.846 0.3 1 742 172 172 GLN H H 8.239 0.020 1 743 172 172 GLN C C 178.914 0.3 1 744 172 172 GLN CA C 58.374 0.3 1 745 172 172 GLN CB C 27.174 0.3 1 746 172 172 GLN N N 120.805 0.3 1 747 173 173 LEU H H 7.891 0.020 1 748 173 173 LEU C C 177.231 0.3 1 749 173 173 LEU CA C 57.345 0.3 1 750 173 173 LEU CB C 40.290 0.3 1 751 173 173 LEU N N 122.353 0.3 1 752 174 174 ASN H H 8.218 0.020 1 753 174 174 ASN C C 176.462 0.3 1 754 174 174 ASN CA C 57.415 0.3 1 755 174 174 ASN CB C 39.939 0.3 1 756 174 174 ASN N N 118.868 0.3 1 757 175 175 ASP H H 7.850 0.020 1 758 175 175 ASP C C 178.053 0.3 1 759 175 175 ASP CA C 56.893 0.3 1 760 175 175 ASP CB C 40.851 0.3 1 761 175 175 ASP N N 117.182 0.3 1 762 176 176 ARG H H 7.878 0.020 1 763 176 176 ARG C C 178.914 0.3 1 764 176 176 ARG CA C 59.250 0.3 1 765 176 176 ARG CB C 28.961 0.3 1 766 176 176 ARG N N 120.560 0.3 1 767 177 177 LEU H H 8.504 0.020 1 768 177 177 LEU C C 179.867 0.3 1 769 177 177 LEU CA C 57.049 0.3 1 770 177 177 LEU CB C 39.943 0.3 1 771 177 177 LEU N N 118.636 0.3 1 772 178 178 ALA H H 8.371 0.020 1 773 178 178 ALA C C 181.439 0.3 1 774 178 178 ALA CA C 54.278 0.3 1 775 178 178 ALA CB C 17.279 0.3 1 776 178 178 ALA N N 122.107 0.3 1 777 179 179 LYS H H 7.950 0.020 1 778 179 179 LYS C C 178.698 0.3 1 779 179 179 LYS CA C 58.351 0.3 1 780 179 179 LYS CB C 31.442 0.3 1 781 179 179 LYS N N 120.256 0.3 1 782 180 180 GLU H H 7.899 0.020 1 783 180 180 GLU C C 177.159 0.3 1 784 180 180 GLU CA C 56.456 0.3 1 785 180 180 GLU CB C 29.296 0.3 1 786 180 180 GLU N N 117.740 0.3 1 787 181 181 GLY H H 7.872 0.020 1 788 181 181 GLY C C 175.351 0.3 1 789 181 181 GLY CA C 45.653 0.3 1 790 181 181 GLY N N 108.501 0.3 1 791 182 182 LYS H H 7.958 0.020 1 792 182 182 LYS C C 175.882 0.3 1 793 182 182 LYS CA C 55.895 0.3 1 794 182 182 LYS CB C 32.270 0.3 1 795 182 182 LYS N N 118.651 0.3 1 796 183 183 LEU H H 7.618 0.020 1 797 183 183 LEU C C 176.651 0.3 1 798 183 183 LEU CA C 53.439 0.3 1 799 183 183 LEU CB C 41.690 0.3 1 800 183 183 LEU N N 119.287 0.3 1 801 184 184 LYS H H 8.231 0.020 1 802 184 184 LYS C C 173.508 0.3 1 803 184 184 LYS CA C 53.526 0.3 1 804 184 184 LYS CB C 31.468 0.3 1 805 184 184 LYS N N 123.784 0.3 1 stop_ save_