data_17410 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C backbone chemical shift assignment of the titin A67-A68 domain tandem ; _BMRB_accession_number 17410 _BMRB_flat_file_name bmr17410.str _Entry_type original _Submission_date 2011-01-14 _Accession_date 2011-01-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Ca, C', Cb, amide N and H chemical shift assignment of an immunoglobulin-fibronectin type III domain tandem (A67-A68) from the titin A59-A69 super-repeat unit.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Czajlik Andras . . 2 Thompson Gary . . 3 Khan 'Ghulam N' . . 4 Kalverda Arnout . . 5 Homans 'Steve W' . . 6 Trinick John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 180 "13C chemical shifts" 550 "15N chemical shifts" 180 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 update BMRB 'update entry citation' 2011-08-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (15)N and (13)C backbone chemical shift assignment of the titin A67-A68 domain tandem.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21779926 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Czajlik Andras . . 2 Thompson Gary S. . 3 Khan Ghulam N. . 4 Kalverda Arnout P. . 5 Homans Steve W. . 6 Trinick John . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 39 _Page_last 41 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name C6 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Construct6 $Construct6 stop_ _System_molecular_weight 23696.0575 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Construct6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Construct6 _Molecular_mass 23696.0575 _Mol_thiol_state 'all free' _Details 'A67-A68 from the titin A59-A69 super-repeat' ############################## # Polymer residue sequence # ############################## _Residue_count 215 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MPSPPDSLNIMDITKSTVSL AWPKPKHDGGSKITGYVIEA QRKGSDQWTHITTVKGLECV VRNLTEGEEYTFQVMAVNSA GRSAPRESRPVIVKEQTMLP ELDLRGIYQKLVIAKAGDNI KVEIPVLGRPKPTVTWKKGD QILKQTQRVNFETTATSTIL NINECVRSDSGPYPLTARNI VGEVGDVITIQVHDI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 1 GLY 3 2 SER 4 3 SER 5 4 HIS 6 5 HIS 7 6 HIS 8 7 HIS 9 8 HIS 10 9 HIS 11 10 SER 12 11 SER 13 12 GLY 14 13 LEU 15 14 VAL 16 15 PRO 17 16 ARG 18 17 GLY 19 18 SER 20 19 HIS 21 20 MET 22 21 PRO 23 22 SER 24 23 PRO 25 24 PRO 26 25 ASP 27 26 SER 28 27 LEU 29 28 ASN 30 29 ILE 31 30 MET 32 31 ASP 33 32 ILE 34 33 THR 35 34 LYS 36 35 SER 37 36 THR 38 37 VAL 39 38 SER 40 39 LEU 41 40 ALA 42 41 TRP 43 42 PRO 44 43 LYS 45 44 PRO 46 45 LYS 47 46 HIS 48 47 ASP 49 48 GLY 50 49 GLY 51 50 SER 52 51 LYS 53 52 ILE 54 53 THR 55 54 GLY 56 55 TYR 57 56 VAL 58 57 ILE 59 58 GLU 60 59 ALA 61 60 GLN 62 61 ARG 63 62 LYS 64 63 GLY 65 64 SER 66 65 ASP 67 66 GLN 68 67 TRP 69 68 THR 70 69 HIS 71 70 ILE 72 71 THR 73 72 THR 74 73 VAL 75 74 LYS 76 75 GLY 77 76 LEU 78 77 GLU 79 78 CYS 80 79 VAL 81 80 VAL 82 81 ARG 83 82 ASN 84 83 LEU 85 84 THR 86 85 GLU 87 86 GLY 88 87 GLU 89 88 GLU 90 89 TYR 91 90 THR 92 91 PHE 93 92 GLN 94 93 VAL 95 94 MET 96 95 ALA 97 96 VAL 98 97 ASN 99 98 SER 100 99 ALA 101 100 GLY 102 101 ARG 103 102 SER 104 103 ALA 105 104 PRO 106 105 ARG 107 106 GLU 108 107 SER 109 108 ARG 110 109 PRO 111 110 VAL 112 111 ILE 113 112 VAL 114 113 LYS 115 114 GLU 116 115 GLN 117 116 THR 118 117 MET 119 118 LEU 120 119 PRO 121 120 GLU 122 121 LEU 123 122 ASP 124 123 LEU 125 124 ARG 126 125 GLY 127 126 ILE 128 127 TYR 129 128 GLN 130 129 LYS 131 130 LEU 132 131 VAL 133 132 ILE 134 133 ALA 135 134 LYS 136 135 ALA 137 136 GLY 138 137 ASP 139 138 ASN 140 139 ILE 141 140 LYS 142 141 VAL 143 142 GLU 144 143 ILE 145 144 PRO 146 145 VAL 147 146 LEU 148 147 GLY 149 148 ARG 150 149 PRO 151 150 LYS 152 151 PRO 153 152 THR 154 153 VAL 155 154 THR 156 155 TRP 157 156 LYS 158 157 LYS 159 158 GLY 160 159 ASP 161 160 GLN 162 161 ILE 163 162 LEU 164 163 LYS 165 164 GLN 166 165 THR 167 166 GLN 168 167 ARG 169 168 VAL 170 169 ASN 171 170 PHE 172 171 GLU 173 172 THR 174 173 THR 175 174 ALA 176 175 THR 177 176 SER 178 177 THR 179 178 ILE 180 179 LEU 181 180 ASN 182 181 ILE 183 182 ASN 184 183 GLU 185 184 CYS 186 185 VAL 187 186 ARG 188 187 SER 189 188 ASP 190 189 SER 191 190 GLY 192 191 PRO 193 192 TYR 194 193 PRO 195 194 LEU 196 195 THR 197 196 ALA 198 197 ARG 199 198 ASN 200 199 ILE 201 200 VAL 202 201 GLY 203 202 GLU 204 203 VAL 205 204 GLY 206 205 ASP 207 206 VAL 208 207 ILE 209 208 THR 210 209 ILE 211 210 GLN 212 211 VAL 213 212 HIS 214 213 ASP 215 214 ILE 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 _Organ _Details $Construct6 Human 9606 Eukaryota Metazoa Homo sapiens heart 'A67-A68 from the titin A59-A69 super-repeat' 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 _Details $Construct6 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) 'pET 15b_A170' 'A67-A68 from the titin A59-A69 super-repeat' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TitinA67-A68 _Saveframe_category sample _Sample_type solution _Details hhh loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Construct6 1.00 mM '[U-13C; U-15N; U-2H]' bis-tris 200.00 mM 'natural abundance' MES 200.00 mM 'natural abundance' 'sodium azide' 1.00 mM 'natural abundance' 'complete protease inhibitor' 1.00 mM 'natural abundance' dss 0.01 mM '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR_Analysis _Saveframe_category software _Name ANALYSIS _Version 1.0 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'peak assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_CcpNmr_Analysis_2 _Saveframe_category software _Name ANALYSIS _Version 2.1 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'peak assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_CcpNmr_Entry_Completion_Interface _Saveframe_category software _Name CcpNmr_Entry_Completion_Interface _Version 2.1 loop_ _Vendor _Address _Electronic_address 'PDBe & CCPN' 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ebi.ac.uk/pdbe/ stop_ loop_ _Task 'data deposition' stop_ _Details 'The PDBe & CCPN Entry Completion Interface' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 5.5 loop_ _Vendor _Address _Electronic_address NMRPipe NIDDK http://spin.niddk.nih.gov/NMRPipe/ stop_ loop_ _Task 'data processing' stop_ _Details 'NMRPipe spectral processing and analysis system' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_Inova _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $TitinA67-A68 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $TitinA67-A68 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $TitinA67-A68 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $TitinA67-A68 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $TitinA67-A68 save_ save_Expt_10_(H[N[ca[CO]]])_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'Expt_10 (H[N[ca[CO]]])' _Sample_label $TitinA67-A68 save_ save_Expt_11_(H[N[co[{CA|ca[C]}]]])_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'Expt_11 (H[N[co[{CA|ca[C]}]]])' _Sample_label $TitinA67-A68 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $TitinA67-A68 save_ save_2D_1H-15N_HSQC/HMQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $TitinA67-A68 save_ ####################### # Sample conditions # ####################### save_MES-Bis-Tris _Saveframe_category sample_conditions _Details '0.2M MES/Bis-Tris, 10 mM DTT and 1 mM azide, pH 6.5' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.500 . pH pressure 1.000 . atm temperature 293.000 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 internal indirect . . . 0.25 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.00 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . 0.10 $entry_citation $entry_citation 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' 'Expt_10 (H[N[ca[CO]]])' 'Expt_11 (H[N[co[{CA|ca[C]}]]])' stop_ loop_ _Sample_label $TitinA67-A68 stop_ _Sample_conditions_label $MES-Bis-Tris _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Construct6 _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 1 2 GLY C C 175.475 . 1 2 1 2 GLY CA C 44.854 . 1 3 2 3 SER H H 7.995 0.005 1 4 2 3 SER CA C 57.760 . 1 5 2 3 SER CB C 63.783 . 1 6 2 3 SER N N 115.007 0.024 1 7 9 10 HIS C C 173.080 . 1 8 9 10 HIS CB C 29.799 . 1 9 10 11 SER H H 8.201 0.008 1 10 10 11 SER C C 174.734 . 1 11 10 11 SER CA C 58.038 . 1 12 10 11 SER CB C 63.787 . 1 13 10 11 SER N N 115.374 0.115 1 14 11 12 SER H H 8.462 0.007 1 15 11 12 SER C C 174.489 . 1 16 11 12 SER CA C 58.209 0.068 1 17 11 12 SER CB C 63.164 . 1 18 11 12 SER N N 118.091 0.055 1 19 12 13 GLY H H 8.359 0.002 1 20 12 13 GLY C C 175.619 . 1 21 12 13 GLY CA C 44.821 . 1 22 12 13 GLY N N 110.576 0.064 1 23 13 14 LEU H H 8.035 0.004 1 24 13 14 LEU C C 172.258 . 1 25 13 14 LEU CA C 54.700 0.076 1 26 13 14 LEU CB C 41.668 . 1 27 13 14 LEU N N 121.579 0.077 1 28 14 15 VAL H H 8.099 0.006 1 29 14 15 VAL C C 174.937 . 1 30 14 15 VAL CA C 59.354 . 1 31 14 15 VAL CB C 32.186 . 1 32 14 15 VAL N N 122.945 0.047 1 33 15 16 PRO CA C 62.671 . 1 34 15 16 PRO CB C 31.823 . 1 35 16 17 ARG H H 8.453 0.004 1 36 16 17 ARG C C 172.439 . 1 37 16 17 ARG CA C 55.927 . 1 38 16 17 ARG CB C 30.686 . 1 39 16 17 ARG N N 122.014 0.07 1 40 17 18 GLY H H 8.402 0.006 1 41 17 18 GLY C C 175.471 . 1 42 17 18 GLY CA C 44.798 . 1 43 17 18 GLY N N 110.169 0.082 1 44 18 19 SER H H 8.052 0.003 1 45 18 19 SER C C 175.217 . 1 46 18 19 SER CA C 57.925 0.004 1 47 18 19 SER CB C 63.756 . 1 48 18 19 SER N N 115.112 0.047 1 49 19 20 HIS H H 8.561 0.004 1 50 19 20 HIS C C 175.342 . 1 51 19 20 HIS CA C 54.838 . 1 52 19 20 HIS CB C 29.887 . 1 53 19 20 HIS N N 119.759 0.043 1 54 21 22 PRO C C 173.457 . 1 55 21 22 PRO CA C 61.616 . 1 56 21 22 PRO CB C 31.047 . 1 57 22 23 SER H H 7.948 0.002 1 58 22 23 SER C C 178.952 . 1 59 22 23 SER CA C 57.310 . 1 60 22 23 SER CB C 62.865 . 1 61 22 23 SER N N 115.387 0.035 1 62 24 25 PRO C C 172.461 . 1 63 24 25 PRO CA C 62.685 . 1 64 24 25 PRO CB C 32.152 . 1 65 25 26 ASP H H 8.906 0.01 1 66 25 26 ASP C C 174.721 . 1 67 25 26 ASP CA C 56.401 0.019 1 68 25 26 ASP CB C 41.358 . 1 69 25 26 ASP N N 120.809 0.053 1 70 26 27 SER H H 7.094 0.003 1 71 26 27 SER C C 178.974 . 1 72 26 27 SER CA C 56.399 . 1 73 26 27 SER CB C 64.895 . 1 74 26 27 SER N N 107.844 0.053 1 75 27 28 LEU H H 8.360 0.004 1 76 27 28 LEU C C 175.499 . 1 77 27 28 LEU CA C 54.834 . 1 78 27 28 LEU CB C 41.592 . 1 79 27 28 LEU N N 119.695 0.104 1 80 28 29 ASN H H 9.226 0.004 1 81 28 29 ASN C C 175.870 . 1 82 28 29 ASN CA C 53.212 0.002 1 83 28 29 ASN CB C 41.364 . 1 84 28 29 ASN N N 124.026 0.06 1 85 29 30 ILE H H 8.819 0.007 1 86 29 30 ILE C C 173.071 . 1 87 29 30 ILE CA C 59.689 0.043 1 88 29 30 ILE CB C 36.097 . 1 89 29 30 ILE N N 122.647 0.112 1 90 30 31 MET H H 9.065 0.003 1 91 30 31 MET C C 172.942 . 1 92 30 31 MET CA C 53.773 . 1 93 30 31 MET CB C 30.548 . 1 94 30 31 MET N N 126.005 0.013 1 95 31 32 ASP H H 7.544 0.003 1 96 31 32 ASP C C 175.672 . 1 97 31 32 ASP CA C 53.916 . 1 98 31 32 ASP CB C 43.298 . 1 99 31 32 ASP N N 116.408 0.05 1 100 32 33 ILE H H 8.010 0.007 1 101 32 33 ILE C C 174.274 . 1 102 32 33 ILE CA C 61.338 0.029 1 103 32 33 ILE N N 122.559 0.107 1 104 33 34 THR H H 8.824 0.004 1 105 33 34 THR C C 177.329 . 1 106 33 34 THR CA C 59.871 0.025 1 107 33 34 THR CB C 71.238 . 1 108 33 34 THR N N 118.134 0.089 1 109 34 35 LYS H H 7.976 0.008 1 110 34 35 LYS C C 174.859 . 1 111 34 35 LYS CA C 58.393 0.141 1 112 34 35 LYS CB C 32.612 . 1 113 34 35 LYS N N 112.168 0.035 1 114 35 36 SER H H 7.289 0.006 1 115 35 36 SER CA C 57.316 . 1 116 35 36 SER CB C 65.920 . 1 117 35 36 SER N N 105.632 0.142 1 118 36 37 THR H H 7.067 0.007 1 119 36 37 THR C C 177.239 . 1 120 36 37 THR CA C 58.859 . 1 121 36 37 THR CB C 73.024 . 1 122 36 37 THR N N 111.111 0.045 1 123 37 38 VAL H H 8.208 0.002 1 124 37 38 VAL C C 174.878 . 1 125 37 38 VAL CA C 61.039 0.078 1 126 37 38 VAL CB C 36.940 . 1 127 37 38 VAL N N 116.706 0.054 1 128 38 39 SER H H 8.651 0.004 1 129 38 39 SER CA C 57.160 0.042 1 130 38 39 SER CB C 62.708 . 1 131 38 39 SER N N 122.746 0.077 1 132 39 40 LEU H H 9.050 0.003 1 133 39 40 LEU C C 172.609 . 1 134 39 40 LEU CA C 52.826 0.058 1 135 39 40 LEU CB C 46.387 . 1 136 39 40 LEU N N 126.014 0.118 1 137 40 41 ALA H H 8.783 0.003 1 138 40 41 ALA C C 173.991 . 1 139 40 41 ALA CA C 51.970 0.01 1 140 40 41 ALA CB C 22.713 . 1 141 40 41 ALA N N 121.981 0.077 1 142 41 42 TRP H H 7.580 0.003 1 143 41 42 TRP C C 177.443 . 1 144 41 42 TRP CA C 54.117 . 1 145 41 42 TRP CB C 30.362 . 1 146 41 42 TRP N N 119.671 0.058 1 147 44 45 PRO C C 172.703 . 1 148 44 45 PRO CA C 62.662 . 1 149 44 45 PRO CB C 32.858 . 1 150 45 46 LYS H H 8.862 0.002 1 151 45 46 LYS C C 173.402 . 1 152 45 46 LYS CA C 57.233 0.016 1 153 45 46 LYS CB C 32.366 . 1 154 45 46 LYS N N 121.847 0.055 1 155 46 47 HIS H H 7.147 0.004 1 156 46 47 HIS C C 175.048 . 1 157 46 47 HIS CA C 54.544 0.027 1 158 46 47 HIS CB C 32.278 . 1 159 46 47 HIS N N 114.662 0.045 1 160 47 48 ASP H H 8.219 0.007 1 161 47 48 ASP C C 173.882 . 1 162 47 48 ASP CA C 52.778 0.041 1 163 47 48 ASP CB C 40.797 . 1 164 47 48 ASP N N 122.631 0.152 1 165 48 49 GLY H H 7.616 0.006 1 166 48 49 GLY C C 174.640 . 1 167 48 49 GLY CA C 45.394 0.037 1 168 48 49 GLY N N 105.290 0.07 1 169 49 50 GLY H H 8.716 0.006 1 170 49 50 GLY C C 175.477 . 1 171 49 50 GLY CA C 44.501 . 1 172 49 50 GLY N N 107.298 0.033 1 173 50 51 SER H H 7.137 0.005 1 174 50 51 SER C C 177.266 . 1 175 50 51 SER CA C 56.898 0.018 1 176 50 51 SER CB C 64.332 . 1 177 50 51 SER N N 114.741 0.032 1 178 51 52 LYS H H 7.899 0.002 1 179 51 52 LYS C C 172.235 . 1 180 51 52 LYS CA C 56.556 0.076 1 181 51 52 LYS CB C 32.948 . 1 182 51 52 LYS N N 120.700 0.041 1 183 52 53 ILE H H 8.611 0.002 1 184 52 53 ILE C C 171.365 . 1 185 52 53 ILE CB C 37.589 . 1 186 52 53 ILE N N 123.622 0.039 1 187 53 54 THR H H 9.203 0.011 1 188 53 54 THR C C 174.376 . 1 189 53 54 THR CA C 61.154 0.096 1 190 53 54 THR CB C 68.917 . 1 191 53 54 THR N N 119.967 0.142 1 192 54 55 GLY H H 7.319 0.002 1 193 54 55 GLY C C 180.652 . 1 194 54 55 GLY CA C 44.824 0.015 1 195 54 55 GLY N N 110.317 0.04 1 196 55 56 TYR H H 9.030 0.003 1 197 55 56 TYR C C 174.811 . 1 198 55 56 TYR CA C 56.239 0.019 1 199 55 56 TYR CB C 41.364 . 1 200 55 56 TYR N N 115.206 0.027 1 201 56 57 VAL H H 9.004 0.007 1 202 56 57 VAL C C 175.023 . 1 203 56 57 VAL CA C 60.885 . 1 204 56 57 VAL CB C 34.510 . 1 205 56 57 VAL N N 122.593 0.148 1 206 57 58 ILE H H 8.431 0.002 1 207 57 58 ILE C C 173.764 . 1 208 57 58 ILE CA C 57.201 . 1 209 57 58 ILE CB C 38.155 . 1 210 57 58 ILE N N 125.726 0.057 1 211 58 59 GLU H H 8.765 0.003 1 212 58 59 GLU C C 174.518 . 1 213 58 59 GLU CA C 53.465 0.043 1 214 58 59 GLU CB C 36.036 . 1 215 58 59 GLU N N 124.027 0.035 1 216 59 60 ALA H H 9.145 0.002 1 217 59 60 ALA C C 173.660 . 1 218 59 60 ALA CA C 50.356 0.004 1 219 59 60 ALA CB C 25.171 . 1 220 59 60 ALA N N 120.459 0.106 1 221 60 61 GLN H H 8.885 0.002 1 222 60 61 GLN C C 174.482 . 1 223 60 61 GLN CA C 54.042 0.028 1 224 60 61 GLN CB C 31.671 0.002 1 225 60 61 GLN N N 122.455 0.043 1 226 61 62 ARG H H 8.505 0.008 1 227 61 62 ARG C C 173.725 . 1 228 61 62 ARG CA C 54.583 0.039 1 229 61 62 ARG CB C 30.863 . 1 230 61 62 ARG N N 129.920 0.066 1 231 62 63 LYS H H 8.205 0.003 1 232 62 63 LYS C C 172.282 . 1 233 62 63 LYS CA C 57.845 0.016 1 234 62 63 LYS CB C 31.916 . 1 235 62 63 LYS N N 126.968 0.094 1 236 63 64 GLY H H 8.756 0.003 1 237 63 64 GLY C C 175.401 . 1 238 63 64 GLY CA C 44.493 0.065 1 239 63 64 GLY N N 115.824 0.05 1 240 64 65 SER H H 8.020 0.008 1 241 64 65 SER C C 175.643 . 1 242 64 65 SER CA C 56.570 0.005 1 243 64 65 SER CB C 63.754 . 1 244 64 65 SER N N 115.455 0.066 1 245 65 66 ASP H H 8.190 0.002 1 246 65 66 ASP C C 173.624 . 1 247 65 66 ASP CA C 53.340 0.044 1 248 65 66 ASP CB C 40.720 . 1 249 65 66 ASP N N 121.668 0.038 1 250 66 67 GLN H H 7.838 0.004 1 251 66 67 GLN C C 173.986 . 1 252 66 67 GLN CA C 54.360 0.006 1 253 66 67 GLN CB C 30.880 . 1 254 66 67 GLN N N 118.057 0.047 1 255 67 68 TRP H H 8.827 0.005 1 256 67 68 TRP C C 172.714 . 1 257 67 68 TRP CA C 56.370 . 1 258 67 68 TRP CB C 30.545 . 1 259 67 68 TRP N N 125.418 0.058 1 260 68 69 THR H H 9.571 0.003 1 261 68 69 THR C C 175.202 . 1 262 68 69 THR CA C 60.998 0.024 1 263 68 69 THR CB C 70.665 . 1 264 68 69 THR N N 120.737 0.095 1 265 69 70 HIS H H 9.201 0.004 1 266 69 70 HIS C C 174.870 . 1 267 69 70 HIS CA C 58.451 . 1 268 69 70 HIS CB C 30.481 . 1 269 69 70 HIS N N 126.339 0.049 1 270 70 71 ILE C C 173.814 . 1 271 70 71 ILE CA C 59.416 . 1 272 71 72 THR H H 7.117 0.009 1 273 71 72 THR C C 178.515 . 1 274 71 72 THR CA C 60.198 0.05 1 275 71 72 THR CB C 67.332 . 1 276 71 72 THR N N 109.000 0.107 1 277 72 73 THR H H 7.795 0.005 1 278 72 73 THR C C 174.760 . 1 279 72 73 THR CA C 60.892 0.021 1 280 72 73 THR CB C 70.545 . 1 281 72 73 THR N N 119.949 0.066 1 282 73 74 VAL H H 9.374 0.003 1 283 73 74 VAL C C 174.105 . 1 284 73 74 VAL CA C 59.087 0.076 1 285 73 74 VAL CB C 35.589 . 1 286 73 74 VAL N N 120.108 0.104 1 287 74 75 LYS H H 8.710 0.007 1 288 74 75 LYS C C 171.945 . 1 289 74 75 LYS CA C 56.621 0.014 1 290 74 75 LYS CB C 33.651 . 1 291 74 75 LYS N N 119.717 0.042 1 292 75 76 GLY H H 7.599 0.004 1 293 75 76 GLY C C 179.615 . 1 294 75 76 GLY CA C 43.706 0.001 1 295 75 76 GLY N N 108.585 0.149 1 296 76 77 LEU H H 7.257 0.003 1 297 76 77 LEU C C 174.692 . 1 298 76 77 LEU CA C 52.640 0.027 1 299 76 77 LEU CB C 39.663 . 1 300 76 77 LEU N N 113.782 0.109 1 301 77 78 GLU H H 6.417 0.007 1 302 77 78 GLU C C 173.805 . 1 303 77 78 GLU CA C 53.654 0.1 1 304 77 78 GLU CB C 32.819 . 1 305 77 78 GLU N N 110.929 0.061 1 306 78 79 CYS H H 8.403 0.004 1 307 78 79 CYS C C 177.937 . 1 308 78 79 CYS CA C 57.417 0.01 1 309 78 79 CYS CB C 30.758 . 1 310 78 79 CYS N N 113.834 0.047 1 311 79 80 VAL H H 8.502 0.003 1 312 79 80 VAL C C 174.185 . 1 313 79 80 VAL CA C 61.712 . 1 314 79 80 VAL CB C 32.683 . 1 315 79 80 VAL N N 123.304 0.03 1 316 80 81 VAL H H 9.231 0.007 1 317 80 81 VAL C C 174.592 . 1 318 80 81 VAL CA C 62.026 0.092 1 319 80 81 VAL CB C 31.667 . 1 320 80 81 VAL N N 129.817 0.128 1 321 81 82 ARG H H 8.392 0.003 1 322 81 82 ARG C C 174.665 . 1 323 81 82 ARG CA C 53.965 . 1 324 81 82 ARG CB C 31.879 . 1 325 81 82 ARG N N 124.229 0.051 1 326 82 83 ASN H H 8.827 0.004 1 327 82 83 ASN CA C 53.925 . 1 328 82 83 ASN CB C 36.972 . 1 329 82 83 ASN N N 112.235 0.032 1 330 83 84 LEU H H 8.316 0.002 1 331 83 84 LEU C C 173.086 . 1 332 83 84 LEU CA C 53.462 . 1 333 83 84 LEU CB C 42.190 . 1 334 83 84 LEU N N 118.484 0.047 1 335 84 85 THR H H 8.186 0.01 1 336 84 85 THR C C 176.565 . 1 337 84 85 THR CA C 62.805 0.013 1 338 84 85 THR CB C 69.710 . 1 339 84 85 THR N N 118.393 0.038 1 340 85 86 GLU H H 8.191 0.003 1 341 85 86 GLU C C 171.447 . 1 342 85 86 GLU CA C 57.339 0.053 1 343 85 86 GLU CB C 29.103 . 1 344 85 86 GLU N N 129.197 0.062 1 345 86 87 GLY H H 9.998 0.003 1 346 86 87 GLY CA C 44.549 0.013 1 347 86 87 GLY N N 115.576 0.038 1 348 87 88 GLU H H 7.780 0.002 1 349 87 88 GLU C C 176.445 . 1 350 87 88 GLU CA C 54.380 0.017 1 351 87 88 GLU CB C 30.663 . 1 352 87 88 GLU N N 120.953 0.038 1 353 88 89 GLU H H 8.517 . 1 354 88 89 GLU C C 174.600 . 1 355 88 89 GLU CA C 53.584 . 1 356 88 89 GLU N N 123.299 . 1 357 89 90 TYR H H 8.993 0.004 1 358 89 90 TYR CA C 55.928 . 1 359 89 90 TYR CB C 43.823 . 1 360 89 90 TYR N N 123.169 0.069 1 361 90 91 THR H H 8.121 0.009 1 362 90 91 THR C C 177.622 . 1 363 90 91 THR CA C 62.174 0.015 1 364 90 91 THR CB C 70.378 . 1 365 90 91 THR N N 114.562 0.108 1 366 91 92 PHE H H 7.995 0.008 1 367 91 92 PHE C C 175.311 . 1 368 91 92 PHE CA C 56.001 0.087 1 369 91 92 PHE CB C 42.749 . 1 370 91 92 PHE N N 122.588 0.024 1 371 92 93 GLN H H 8.976 0.003 1 372 92 93 GLN C C 176.872 0.043 1 373 92 93 GLN CA C 53.758 0.022 1 374 92 93 GLN CB C 30.064 . 1 375 92 93 GLN N N 115.147 0.07 1 376 93 94 VAL H H 8.307 0.004 1 377 93 94 VAL C C 173.145 . 1 378 93 94 VAL CA C 56.237 0.103 1 379 93 94 VAL CB C 34.135 . 1 380 93 94 VAL N N 118.035 0.05 1 381 94 95 MET H H 8.523 0.002 1 382 94 95 MET N N 123.244 0.052 1 383 95 96 ALA H H 8.542 0.009 1 384 95 96 ALA C C 173.795 . 1 385 95 96 ALA CA C 50.558 0.001 1 386 95 96 ALA CB C 22.147 . 1 387 95 96 ALA N N 124.082 0.104 1 388 96 97 VAL H H 8.278 0.003 1 389 96 97 VAL C C 174.492 . 1 390 96 97 VAL CA C 60.979 . 1 391 96 97 VAL CB C 33.715 . 1 392 96 97 VAL N N 120.638 0.061 1 393 97 98 ASN H H 8.638 0.008 1 394 97 98 ASN C C 172.863 . 1 395 97 98 ASN CA C 51.029 0.018 1 396 97 98 ASN CB C 41.392 . 1 397 97 98 ASN N N 124.552 0.066 1 398 98 99 SER H H 8.276 0.009 1 399 98 99 SER C C 174.739 . 1 400 98 99 SER CA C 60.941 . 1 401 98 99 SER CB C 62.718 . 1 402 98 99 SER N N 111.595 0.054 1 403 99 100 ALA H H 7.848 0.005 1 404 99 100 ALA C C 171.883 . 1 405 99 100 ALA CA C 52.343 0.024 1 406 99 100 ALA CB C 19.957 . 1 407 99 100 ALA N N 123.180 0.079 1 408 100 101 GLY H H 7.779 0.004 1 409 100 101 GLY C C 178.916 . 1 410 100 101 GLY CA C 44.801 0.003 1 411 100 101 GLY N N 106.521 0.06 1 412 101 102 ARG H H 8.001 0.002 1 413 101 102 ARG C C 172.563 . 1 414 101 102 ARG CA C 53.928 0.01 1 415 101 102 ARG CB C 32.980 . 1 416 101 102 ARG N N 117.527 0.047 1 417 102 103 SER H H 9.156 0.003 1 418 102 103 SER CA C 57.369 . 1 419 102 103 SER CB C 67.436 . 1 420 102 103 SER N N 115.614 0.058 1 421 105 106 ARG C C 174.576 . 1 422 105 106 ARG CA C 52.012 . 1 423 105 106 ARG CB C 29.761 . 1 424 106 107 GLU H H 8.925 0.003 1 425 106 107 GLU C C 171.311 . 1 426 106 107 GLU CA C 55.264 0.08 1 427 106 107 GLU CB C 31.869 . 1 428 106 107 GLU N N 126.911 0.064 1 429 107 108 SER H H 9.425 0.004 1 430 107 108 SER C C 175.563 . 1 431 107 108 SER CA C 57.583 0.018 1 432 107 108 SER CB C 66.590 . 1 433 107 108 SER N N 119.070 0.067 1 434 108 109 ARG H H 8.559 0.004 1 435 108 109 ARG C C 174.921 . 1 436 108 109 ARG CA C 54.357 . 1 437 108 109 ARG CB C 28.370 . 1 438 108 109 ARG N N 117.647 0.054 1 439 110 111 VAL C C 175.666 . 1 440 110 111 VAL CA C 59.417 . 1 441 110 111 VAL CB C 35.531 . 1 442 111 112 ILE H H 8.208 0.006 1 443 111 112 ILE C C 173.140 . 1 444 111 112 ILE CA C 59.562 . 1 445 111 112 ILE CB C 38.055 . 1 446 111 112 ILE N N 125.022 0.088 1 447 112 113 VAL H H 8.306 0.004 1 448 112 113 VAL C C 175.537 . 1 449 112 113 VAL CA C 63.637 0.002 1 450 112 113 VAL CB C 30.617 . 1 451 112 113 VAL N N 129.432 0.074 1 452 113 114 LYS H H 7.028 0.006 1 453 113 114 LYS C C 175.166 . 1 454 113 114 LYS CA C 54.845 . 1 455 113 114 LYS CB C 34.424 . 1 456 113 114 LYS N N 125.389 0.047 1 457 114 115 GLU H H 8.813 0.003 1 458 114 115 GLU C C 172.803 . 1 459 114 115 GLU CA C 56.430 0.006 1 460 114 115 GLU CB C 29.984 . 1 461 114 115 GLU N N 121.251 0.121 1 462 115 116 GLN H H 8.898 0.008 1 463 115 116 GLN C C 173.644 . 1 464 115 116 GLN CA C 54.447 0.023 1 465 115 116 GLN CB C 29.953 . 1 466 115 116 GLN N N 125.015 0.105 1 467 116 117 THR H H 8.010 0.002 1 468 116 117 THR C C 175.377 . 1 469 116 117 THR CA C 60.093 0.071 1 470 116 117 THR CB C 70.461 . 1 471 116 117 THR N N 112.745 0.091 1 472 117 118 MET H H 9.776 0.006 1 473 117 118 MET C C 174.622 . 1 474 117 118 MET CA C 55.224 0.02 1 475 117 118 MET CB C 36.773 . 1 476 117 118 MET N N 120.824 0.103 1 477 118 119 LEU H H 8.666 0.006 1 478 118 119 LEU C C 176.239 . 1 479 118 119 LEU CA C 53.360 . 1 480 118 119 LEU CB C 42.262 . 1 481 118 119 LEU N N 129.745 0.056 1 482 119 120 PRO C C 175.475 . 1 483 119 120 PRO CA C 61.912 . 1 484 119 120 PRO CB C 32.256 . 1 485 120 121 GLU H H 7.887 0.003 1 486 120 121 GLU C C 175.090 . 1 487 120 121 GLU CA C 54.683 . 1 488 120 121 GLU CB C 33.553 . 1 489 120 121 GLU N N 116.295 0.052 1 490 121 122 LEU H H 8.475 0.004 1 491 121 122 LEU C C 173.733 . 1 492 121 122 LEU CA C 52.360 . 1 493 121 122 LEU CB C 43.764 . 1 494 121 122 LEU N N 122.931 0.049 1 495 122 123 ASP H H 7.756 0.008 1 496 122 123 ASP C C 174.019 . 1 497 122 123 ASP CA C 52.318 0.046 1 498 122 123 ASP CB C 41.274 . 1 499 122 123 ASP N N 120.229 0.047 1 500 123 124 LEU H H 8.794 0.003 1 501 123 124 LEU C C 174.853 . 1 502 123 124 LEU CA C 54.598 0.02 1 503 123 124 LEU CB C 40.839 . 1 504 123 124 LEU N N 127.721 0.072 1 505 124 125 ARG H H 8.178 0.003 1 506 124 125 ARG C C 171.306 . 1 507 124 125 ARG CA C 59.117 . 1 508 124 125 ARG CB C 29.979 . 1 509 124 125 ARG N N 119.037 0.056 1 510 125 126 GLY H H 8.892 0.008 1 511 125 126 GLY C C 175.925 . 1 512 125 126 GLY CA C 44.522 0.018 1 513 125 126 GLY N N 105.386 0.193 1 514 126 127 ILE H H 7.714 0.003 1 515 126 127 ILE C C 173.921 . 1 516 126 127 ILE CA C 59.025 0.051 1 517 126 127 ILE CB C 36.764 . 1 518 126 127 ILE N N 122.354 0.056 1 519 127 128 TYR C C 173.205 . 1 520 127 128 TYR CA C 54.838 . 1 521 127 128 TYR CB C 42.059 . 1 522 128 129 GLN H H 7.766 0.005 1 523 128 129 GLN C C 174.748 . 1 524 128 129 GLN CA C 58.498 . 1 525 128 129 GLN CB C 33.956 . 1 526 128 129 GLN N N 119.042 0.08 1 527 129 130 LYS H H 8.521 0.003 1 528 129 130 LYS CA C 58.207 0.032 1 529 129 130 LYS CB C 30.108 . 1 530 129 130 LYS N N 111.932 0.122 1 531 130 131 LEU H H 7.346 0.003 1 532 130 131 LEU C C 174.399 . 1 533 130 131 LEU CA C 53.459 0.007 1 534 130 131 LEU CB C 45.133 . 1 535 130 131 LEU N N 122.117 0.116 1 536 131 132 VAL H H 9.103 0.005 1 537 131 132 VAL C C 175.938 . 1 538 131 132 VAL CA C 61.164 0.025 1 539 131 132 VAL CB C 33.675 . 1 540 131 132 VAL N N 128.091 0.056 1 541 132 133 ILE H H 8.521 0.003 1 542 132 133 ILE C C 173.983 . 1 543 132 133 ILE CA C 59.535 0.028 1 544 132 133 ILE CB C 38.666 . 1 545 132 133 ILE N N 127.439 0.056 1 546 133 134 ALA H H 8.708 0.002 1 547 133 134 ALA C C 174.819 . 1 548 133 134 ALA CA C 49.932 0.013 1 549 133 134 ALA CB C 24.488 . 1 550 133 134 ALA N N 130.230 0.134 1 551 134 135 LYS H H 8.355 0.003 1 552 134 135 LYS C C 174.250 . 1 553 134 135 LYS CA C 53.792 0.002 1 554 134 135 LYS CB C 33.335 . 1 555 134 135 LYS N N 121.212 0.053 1 556 135 136 ALA H H 8.147 0.002 1 557 135 136 ALA C C 171.465 . 1 558 135 136 ALA CA C 53.278 0.075 1 559 135 136 ALA CB C 17.260 . 1 560 135 136 ALA N N 125.124 0.063 1 561 136 137 GLY H H 9.440 0.004 1 562 136 137 GLY C C 174.773 . 1 563 136 137 GLY CA C 44.558 0.029 1 564 136 137 GLY N N 115.045 0.099 1 565 137 138 ASP H H 8.302 0.005 1 566 137 138 ASP C C 173.890 . 1 567 137 138 ASP CA C 54.121 . 1 568 137 138 ASP CB C 40.964 . 1 569 137 138 ASP N N 122.059 0.103 1 570 138 139 ASN H H 8.700 0.005 1 571 138 139 ASN C C 174.366 . 1 572 138 139 ASN CA C 51.668 0.015 1 573 138 139 ASN CB C 38.030 . 1 574 138 139 ASN N N 118.001 0.044 1 575 139 140 ILE H H 9.003 0.002 1 576 139 140 ILE CA C 60.971 . 1 577 139 140 ILE CB C 38.662 . 1 578 139 140 ILE N N 126.171 0.133 1 579 140 141 LYS H H 8.475 0.005 1 580 140 141 LYS C C 174.344 . 1 581 140 141 LYS CA C 55.256 0.032 1 582 140 141 LYS CB C 34.453 . 1 583 140 141 LYS N N 130.774 0.079 1 584 141 142 VAL H H 9.109 0.003 1 585 141 142 VAL C C 176.162 . 1 586 141 142 VAL CA C 60.866 0.186 1 587 141 142 VAL CB C 33.515 . 1 588 141 142 VAL N N 128.508 0.18 1 589 142 143 GLU H H 8.714 0.006 1 590 142 143 GLU C C 174.836 . 1 591 142 143 GLU CA C 54.185 . 1 592 142 143 GLU CB C 30.622 . 1 593 142 143 GLU N N 127.671 0.064 1 594 143 144 ILE H H 9.264 0.007 1 595 143 144 ILE C C 176.146 . 1 596 143 144 ILE CA C 56.909 . 1 597 143 144 ILE CB C 41.408 . 1 598 143 144 ILE N N 128.572 0.072 1 599 144 145 PRO CA C 62.570 . 1 600 144 145 PRO CB C 32.528 . 1 601 145 146 VAL H H 8.128 0.004 1 602 145 146 VAL CA C 59.990 0.014 1 603 145 146 VAL CB C 34.398 . 1 604 145 146 VAL N N 122.583 0.078 1 605 146 147 LEU H H 8.692 0.003 1 606 146 147 LEU C C 173.293 . 1 607 146 147 LEU CA C 53.022 0.01 1 608 146 147 LEU CB C 44.210 . 1 609 146 147 LEU N N 128.019 0.055 1 610 147 148 GLY H H 8.183 0.01 1 611 147 148 GLY C C 177.999 . 1 612 147 148 GLY CA C 44.418 0.002 1 613 147 148 GLY N N 105.920 0.092 1 614 148 149 ARG H H 7.962 0.003 1 615 148 149 ARG CA C 53.632 . 1 616 148 149 ARG CB C 33.600 . 1 617 148 149 ARG N N 121.552 0.072 1 618 151 152 PRO C C 173.377 . 1 619 151 152 PRO CA C 62.034 . 1 620 151 152 PRO CB C 33.064 . 1 621 152 153 THR H H 8.962 0.002 1 622 152 153 THR C C 174.357 . 1 623 152 153 THR CA C 61.530 0.144 1 624 152 153 THR CB C 69.978 . 1 625 152 153 THR N N 116.411 0.096 1 626 153 154 VAL H H 8.979 0.009 1 627 153 154 VAL C C 173.902 . 1 628 153 154 VAL CA C 60.514 0.008 1 629 153 154 VAL CB C 33.239 . 1 630 153 154 VAL N N 128.771 0.132 1 631 154 155 THR H H 8.572 0.005 1 632 154 155 THR C C 176.441 . 1 633 154 155 THR CA C 61.262 . 1 634 154 155 THR CB C 67.418 . 1 635 154 155 THR N N 122.021 0.05 1 636 155 156 TRP H H 7.444 0.006 1 637 155 156 TRP C C 173.787 . 1 638 155 156 TRP CA C 56.598 0.013 1 639 155 156 TRP CB C 32.537 . 1 640 155 156 TRP N N 125.464 0.057 1 641 156 157 LYS H H 9.103 0.004 1 642 156 157 LYS C C 175.992 . 1 643 156 157 LYS CA C 54.909 0.027 1 644 156 157 LYS CB C 36.421 . 1 645 156 157 LYS N N 122.679 0.092 1 646 157 158 LYS H H 8.149 0.004 1 647 157 158 LYS C C 171.414 . 1 648 157 158 LYS CA C 55.140 . 1 649 157 158 LYS CB C 34.816 . 1 650 157 158 LYS N N 116.705 0.049 1 651 158 159 GLY H H 8.598 0.002 1 652 158 159 GLY C C 176.334 . 1 653 158 159 GLY CA C 47.022 0.004 1 654 158 159 GLY N N 118.316 0.095 1 655 159 160 ASP H H 8.446 0.002 1 656 159 160 ASP C C 173.249 . 1 657 159 160 ASP CA C 53.244 0.014 1 658 159 160 ASP CB C 41.392 . 1 659 159 160 ASP N N 124.668 0.048 1 660 160 161 GLN H H 7.881 0.002 1 661 160 161 GLN C C 174.341 . 1 662 160 161 GLN CA C 53.659 0.015 1 663 160 161 GLN CB C 31.360 . 1 664 160 161 GLN N N 119.193 0.056 1 665 161 162 ILE H H 8.511 0.003 1 666 161 162 ILE C C 173.068 . 1 667 161 162 ILE CA C 61.902 . 1 668 161 162 ILE CB C 37.523 . 1 669 161 162 ILE N N 123.324 0.069 1 670 162 163 LEU H H 8.210 0.003 1 671 162 163 LEU C C 173.542 . 1 672 162 163 LEU CA C 55.033 . 1 673 162 163 LEU CB C 42.931 . 1 674 162 163 LEU N N 129.821 0.039 1 675 163 164 LYS H H 8.434 0.006 1 676 163 164 LYS C C 173.739 . 1 677 163 164 LYS CA C 54.917 . 1 678 163 164 LYS CB C 32.898 . 1 679 163 164 LYS N N 127.079 0.053 1 680 164 165 GLN H H 8.418 0.002 1 681 164 165 GLN C C 172.439 . 1 682 164 165 GLN CA C 56.216 0.036 1 683 164 165 GLN CB C 28.860 . 1 684 164 165 GLN N N 120.657 0.056 1 685 165 166 THR H H 9.001 0.006 1 686 165 166 THR C C 175.065 . 1 687 165 166 THR CA C 59.277 0.006 1 688 165 166 THR CB C 73.631 . 1 689 165 166 THR N N 116.069 0.046 1 690 166 167 GLN H H 8.672 0.002 1 691 166 167 GLN C C 172.619 . 1 692 166 167 GLN CA C 58.328 0.158 1 693 166 167 GLN CB C 28.287 . 1 694 166 167 GLN N N 119.067 0.079 1 695 167 168 ARG H H 8.091 0.009 1 696 167 168 ARG C C 174.439 . 1 697 167 168 ARG CA C 58.171 . 1 698 167 168 ARG CB C 32.316 . 1 699 167 168 ARG N N 117.596 0.141 1 700 168 169 VAL H H 7.199 0.004 1 701 168 169 VAL C C 175.112 . 1 702 168 169 VAL CA C 60.232 0.013 1 703 168 169 VAL CB C 33.806 . 1 704 168 169 VAL N N 118.276 0.115 1 705 169 170 ASN H H 8.965 0.006 1 706 169 170 ASN C C 177.559 . 1 707 169 170 ASN CA C 51.939 0.008 1 708 169 170 ASN CB C 41.420 . 1 709 169 170 ASN N N 121.124 0.135 1 710 170 171 PHE H H 8.559 0.005 1 711 170 171 PHE C C 174.428 . 1 712 170 171 PHE CA C 54.382 . 1 713 170 171 PHE CB C 42.496 . 1 714 170 171 PHE N N 115.029 0.119 1 715 171 172 GLU H H 9.430 0.006 1 716 171 172 GLU C C 174.061 . 1 717 171 172 GLU CA C 54.023 0.053 1 718 171 172 GLU CB C 34.447 . 1 719 171 172 GLU N N 120.406 0.129 1 720 172 173 THR H H 8.943 0.004 1 721 172 173 THR C C 174.896 . 1 722 172 173 THR CA C 61.705 0.023 1 723 172 173 THR CB C 70.408 . 1 724 172 173 THR N N 119.262 0.048 1 725 173 174 THR H H 9.018 0.003 1 726 173 174 THR C C 175.011 . 1 727 173 174 THR CA C 59.532 . 1 728 173 174 THR CB C 70.371 . 1 729 173 174 THR N N 119.499 0.088 1 730 174 175 ALA H H 8.700 0.004 1 731 174 175 ALA C C 170.199 . 1 732 174 175 ALA CA C 54.727 . 1 733 174 175 ALA CB C 19.138 . 1 734 174 175 ALA N N 119.729 0.083 1 735 175 176 THR H H 7.962 0.005 1 736 175 176 THR C C 174.317 . 1 737 175 176 THR CA C 60.615 0.106 1 738 175 176 THR CB C 71.303 . 1 739 175 176 THR N N 102.599 0.032 1 740 176 177 SER H H 7.849 0.003 1 741 176 177 SER C C 176.938 . 1 742 176 177 SER CA C 57.122 0.045 1 743 176 177 SER CB C 66.611 . 1 744 176 177 SER N N 116.779 0.109 1 745 177 178 THR H H 8.712 0.008 1 746 177 178 THR C C 178.250 . 1 747 177 178 THR CA C 59.361 0.06 1 748 177 178 THR CB C 70.566 . 1 749 177 178 THR N N 115.456 0.101 1 750 178 179 ILE C C 178.143 . 1 751 178 179 ILE CA C 59.470 . 1 752 178 179 ILE CB C 41.799 . 1 753 179 180 LEU H H 8.805 0.002 1 754 179 180 LEU C C 175.582 . 1 755 179 180 LEU CA C 53.195 0.025 1 756 179 180 LEU CB C 42.644 . 1 757 179 180 LEU N N 128.188 0.102 1 758 180 181 ASN H H 8.939 0.004 1 759 180 181 ASN C C 175.992 . 1 760 180 181 ASN CA C 51.669 0.01 1 761 180 181 ASN CB C 41.720 . 1 762 180 181 ASN N N 124.151 0.17 1 763 181 182 ILE H H 8.448 0.006 1 764 181 182 ILE C C 174.603 . 1 765 181 182 ILE CA C 60.002 0.01 1 766 181 182 ILE CB C 40.017 . 1 767 181 182 ILE N N 121.109 0.007 1 768 182 183 ASN H H 8.687 0.003 1 769 182 183 ASN C C 175.823 . 1 770 182 183 ASN CA C 52.945 0.002 1 771 182 183 ASN CB C 39.655 . 1 772 182 183 ASN N N 124.806 0.05 1 773 183 184 GLU H H 8.929 0.002 1 774 183 184 GLU CA C 55.625 0.065 1 775 183 184 GLU CB C 28.403 . 1 776 183 184 GLU N N 118.481 0.088 1 777 184 185 CYS H H 7.988 0.005 1 778 184 185 CYS C C 175.008 . 1 779 184 185 CYS CA C 58.635 0.029 1 780 184 185 CYS CB C 29.267 . 1 781 184 185 CYS N N 113.869 0.101 1 782 185 186 VAL H H 8.946 0.005 1 783 185 186 VAL C C 171.499 . 1 784 185 186 VAL CA C 58.414 . 1 785 185 186 VAL CB C 36.345 . 1 786 185 186 VAL N N 113.744 0.041 1 787 186 187 ARG H H 9.113 0.004 1 788 186 187 ARG CA C 60.045 . 1 789 186 187 ARG CB C 29.297 . 1 790 186 187 ARG N N 122.780 0.073 1 791 188 189 ASP C C 175.386 . 1 792 188 189 ASP CA C 55.838 . 1 793 188 189 ASP CB C 41.281 . 1 794 189 190 SER H H 8.044 0.005 1 795 189 190 SER C C 176.349 . 1 796 189 190 SER CA C 59.777 0.016 1 797 189 190 SER CB C 63.803 . 1 798 189 190 SER N N 115.471 0.01 1 799 190 191 GLY H H 9.424 0.004 1 800 190 191 GLY C C 178.805 . 1 801 190 191 GLY CA C 43.909 . 1 802 190 191 GLY N N 111.706 0.036 1 803 191 192 PRO C C 171.704 . 1 804 191 192 PRO CA C 62.138 . 1 805 191 192 PRO CB C 32.613 . 1 806 192 193 TYR H H 9.870 0.004 1 807 192 193 TYR CA C 55.188 . 1 808 192 193 TYR CB C 38.073 . 1 809 192 193 TYR N N 124.953 0.054 1 810 194 195 LEU H H 8.498 0.004 1 811 194 195 LEU C C 174.130 . 1 812 194 195 LEU CA C 53.652 0.005 1 813 194 195 LEU CB C 42.557 . 1 814 194 195 LEU N N 122.262 0.076 1 815 195 196 THR H H 7.997 0.01 1 816 195 196 THR C C 176.560 . 1 817 195 196 THR CA C 59.457 0.0 1 818 195 196 THR CB C 71.992 . 1 819 195 196 THR N N 113.768 0.121 1 820 196 197 ALA H H 9.065 0.003 1 821 196 197 ALA C C 174.479 . 1 822 196 197 ALA CA C 49.475 0.007 1 823 196 197 ALA CB C 22.121 . 1 824 196 197 ALA N N 124.926 0.045 1 825 197 198 ARG H H 8.620 0.006 1 826 197 198 ARG C C 174.653 . 1 827 197 198 ARG CA C 54.337 0.01 1 828 197 198 ARG CB C 34.687 . 1 829 197 198 ARG N N 121.288 0.058 1 830 198 199 ASN H H 9.038 0.005 1 831 198 199 ASN C C 173.034 . 1 832 198 199 ASN CA C 51.428 0.01 1 833 198 199 ASN CB C 40.702 . 1 834 198 199 ASN N N 123.794 0.085 1 835 199 200 ILE H H 7.862 0.008 1 836 199 200 ILE C C 173.283 . 1 837 199 200 ILE CA C 63.032 0.073 1 838 199 200 ILE CB C 38.775 . 1 839 199 200 ILE N N 112.236 0.092 1 840 200 201 VAL H H 7.615 0.004 1 841 200 201 VAL C C 172.754 . 1 842 200 201 VAL CA C 63.042 . 1 843 200 201 VAL CB C 32.109 . 1 844 200 201 VAL N N 118.332 0.043 1 845 201 202 GLY H H 7.569 0.003 1 846 201 202 GLY C C 179.957 . 1 847 201 202 GLY CA C 45.311 0.014 1 848 201 202 GLY N N 106.280 0.03 1 849 202 203 GLU H H 8.334 0.021 1 850 202 203 GLU C C 174.763 . 1 851 202 203 GLU CA C 53.803 . 1 852 202 203 GLU CB C 33.813 . 1 853 202 203 GLU N N 118.104 0.121 1 854 203 204 VAL C C 176.017 . 1 855 203 204 VAL CA C 59.322 . 1 856 203 204 VAL CB C 35.506 . 1 857 204 205 GLY H H 8.198 0.011 1 858 204 205 GLY C C 177.063 . 1 859 204 205 GLY CA C 44.738 0.107 1 860 204 205 GLY N N 108.497 0.029 1 861 205 206 ASP H H 8.740 0.011 1 862 205 206 ASP C C 174.514 . 1 863 205 206 ASP CA C 52.409 0.007 1 864 205 206 ASP CB C 45.152 . 1 865 205 206 ASP N N 119.887 0.042 1 866 206 207 VAL H H 10.143 0.001 1 867 206 207 VAL C C 174.547 . 1 868 206 207 VAL CA C 62.081 0.027 1 869 206 207 VAL CB C 35.380 . 1 870 206 207 VAL N N 121.631 0.078 1 871 207 208 ILE H H 7.571 0.004 1 872 207 208 ILE C C 174.823 . 1 873 207 208 ILE CA C 57.743 . 1 874 207 208 ILE CB C 39.934 . 1 875 207 208 ILE N N 122.585 0.076 1 876 208 209 THR H H 8.830 0.004 1 877 208 209 THR C C 176.932 . 1 878 208 209 THR CA C 62.102 . 1 879 208 209 THR CB C 69.854 . 1 880 208 209 THR N N 121.677 0.055 1 881 209 210 ILE H H 8.786 0.006 1 882 209 210 ILE C C 173.105 . 1 883 209 210 ILE CA C 58.831 0.035 1 884 209 210 ILE CB C 38.069 . 1 885 209 210 ILE N N 126.981 0.068 1 886 210 211 GLN H H 9.377 0.004 1 887 210 211 GLN C C 176.713 . 1 888 210 211 GLN CA C 54.753 0.038 1 889 210 211 GLN CB C 31.563 . 1 890 210 211 GLN N N 129.857 0.049 1 891 211 212 VAL H H 8.166 0.013 1 892 211 212 VAL C C 173.555 . 1 893 211 212 VAL CA C 60.699 0.011 1 894 211 212 VAL CB C 32.263 . 1 895 211 212 VAL N N 125.306 0.088 1 896 212 213 HIS H H 8.886 0.003 1 897 212 213 HIS C C 174.940 . 1 898 212 213 HIS CA C 53.398 0.013 1 899 212 213 HIS CB C 32.133 . 1 900 212 213 HIS N N 125.863 0.067 1 901 213 214 ASP H H 8.765 0.004 1 902 213 214 ASP C C 174.000 . 1 903 213 214 ASP CA C 54.618 0.008 1 904 213 214 ASP CB C 41.856 . 1 905 213 214 ASP N N 122.368 0.04 1 906 214 215 ILE H H 7.837 0.007 1 907 214 215 ILE C C 168.640 . 1 908 214 215 ILE CA C 62.470 . 1 909 214 215 ILE CB C 39.989 . 1 910 214 215 ILE N N 122.887 0.107 1 stop_ save_