data_19010 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C backbone chemical shift assignment of the titin A59-A60 domain tandem ; _BMRB_accession_number 19010 _BMRB_flat_file_name bmr19010.str _Entry_type original _Submission_date 2013-02-06 _Accession_date 2013-02-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Ca, C', Cb, amide N and H chemical shift assignment of a fibronectin type III domain tandem (A59-A60) 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" 154 "13C chemical shifts" 475 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-13 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17410 '1H, 15N and 13C backbone chemical shift assignment of the titin A67-A68 domain tandem' 19011 '1H, 15N and 13C backbone chemical shift assignment of the titin A60 domain' stop_ _Original_release_date 2014-02-13 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 titin domains A59-A60 and A60 alone.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24469996 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_ _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 2014 _Details . loop_ _Keyword 'fibronectin type III domain tandem' 'Large super-repeat unit' 'Muscle protein' 'Titin A-band' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Titin_C1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Titin C1' $Titin_C1 stop_ _System_molecular_weight 24209.5448 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Titin_C1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Titin_C1 _Molecular_mass 24209.5448 _Mol_thiol_state 'all free' loop_ _Biological_function 'muscle protein' stop_ _Details 'Titin A59-A60 from the titin A59-A69 super-repeat' ############################## # Polymer residue sequence # ############################## _Residue_count 218 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MPPPPNIVDVRHDSVSLTWT DPKKTGGSPITGYHLEFKER NSLLWKRANKTPIRMRDFKV TGLTEGLEYEFRVMAINLAG VGKPSLPSEPVVALDPIDPP GKPEVINITRNSVTLIWTEP KYDGGHKLTGYIVEKRDLPS KSWMKANHVNVPECAFTVTD LVEGGKYEFRIRAKNTAGAI SAPSESTETIICKDEYEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -19 MET 2 -18 GLY 3 -17 SER 4 -16 SER 5 -15 HIS 6 -14 HIS 7 -13 HIS 8 -12 HIS 9 -11 HIS 10 -10 HIS 11 -9 SER 12 -8 SER 13 -7 GLY 14 -6 LEU 15 -5 VAL 16 -4 PRO 17 -3 ARG 18 -2 GLY 19 -1 SER 20 0 HIS 21 1 MET 22 2 PRO 23 3 PRO 24 4 PRO 25 5 PRO 26 6 ASN 27 7 ILE 28 8 VAL 29 9 ASP 30 10 VAL 31 11 ARG 32 12 HIS 33 13 ASP 34 14 SER 35 15 VAL 36 16 SER 37 17 LEU 38 18 THR 39 19 TRP 40 20 THR 41 21 ASP 42 22 PRO 43 23 LYS 44 24 LYS 45 25 THR 46 26 GLY 47 27 GLY 48 28 SER 49 29 PRO 50 30 ILE 51 31 THR 52 32 GLY 53 33 TYR 54 34 HIS 55 35 LEU 56 36 GLU 57 37 PHE 58 38 LYS 59 39 GLU 60 40 ARG 61 41 ASN 62 42 SER 63 43 LEU 64 44 LEU 65 45 TRP 66 46 LYS 67 47 ARG 68 48 ALA 69 49 ASN 70 50 LYS 71 51 THR 72 52 PRO 73 53 ILE 74 54 ARG 75 55 MET 76 56 ARG 77 57 ASP 78 58 PHE 79 59 LYS 80 60 VAL 81 61 THR 82 62 GLY 83 63 LEU 84 64 THR 85 65 GLU 86 66 GLY 87 67 LEU 88 68 GLU 89 69 TYR 90 70 GLU 91 71 PHE 92 72 ARG 93 73 VAL 94 74 MET 95 75 ALA 96 76 ILE 97 77 ASN 98 78 LEU 99 79 ALA 100 80 GLY 101 81 VAL 102 82 GLY 103 83 LYS 104 84 PRO 105 85 SER 106 86 LEU 107 87 PRO 108 88 SER 109 89 GLU 110 90 PRO 111 91 VAL 112 92 VAL 113 93 ALA 114 94 LEU 115 95 ASP 116 96 PRO 117 97 ILE 118 98 ASP 119 99 PRO 120 100 PRO 121 101 GLY 122 102 LYS 123 103 PRO 124 104 GLU 125 105 VAL 126 106 ILE 127 107 ASN 128 108 ILE 129 109 THR 130 110 ARG 131 111 ASN 132 112 SER 133 113 VAL 134 114 THR 135 115 LEU 136 116 ILE 137 117 TRP 138 118 THR 139 119 GLU 140 120 PRO 141 121 LYS 142 122 TYR 143 123 ASP 144 124 GLY 145 125 GLY 146 126 HIS 147 127 LYS 148 128 LEU 149 129 THR 150 130 GLY 151 131 TYR 152 132 ILE 153 133 VAL 154 134 GLU 155 135 LYS 156 136 ARG 157 137 ASP 158 138 LEU 159 139 PRO 160 140 SER 161 141 LYS 162 142 SER 163 143 TRP 164 144 MET 165 145 LYS 166 146 ALA 167 147 ASN 168 148 HIS 169 149 VAL 170 150 ASN 171 151 VAL 172 152 PRO 173 153 GLU 174 154 CYS 175 155 ALA 176 156 PHE 177 157 THR 178 158 VAL 179 159 THR 180 160 ASP 181 161 LEU 182 162 VAL 183 163 GLU 184 164 GLY 185 165 GLY 186 166 LYS 187 167 TYR 188 168 GLU 189 169 PHE 190 170 ARG 191 171 ILE 192 172 ARG 193 173 ALA 194 174 LYS 195 175 ASN 196 176 THR 197 177 ALA 198 178 GLY 199 179 ALA 200 180 ILE 201 181 SER 202 182 ALA 203 183 PRO 204 184 SER 205 185 GLU 206 186 SER 207 187 THR 208 188 GLU 209 189 THR 210 190 ILE 211 191 ILE 212 192 CYS 213 193 LYS 214 194 ASP 215 195 GLU 216 196 TYR 217 197 GLU 218 198 ALA 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 _Tissue _Details $Titin_C1 Human 9606 Eukaryota Metazoa Homo sapiens heart muscle 'A59-A60 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 $Titin_C1 'recombinant technology' 'Escherichia coli' Escherichia coli 'Escherichia coli BL21(DE3)' 'pET 15b_A170' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TitinA59-A60 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Titin_C1 1.0 mM '[U-13C; U-15N; U-2H]' NaCl 500.0 mM 'natural abundance' MES 50.0 mM 'natural abundance' DTT 10.0 mM 'natural abundance' 'sodium azide' 1.0 mM 'natural abundance' 'complete protease inhibitor' 1.0 mM 'natural abundance' DSS 10.0 mM 'natural abundance' 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_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 600 _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 $TitinA59-A60 save_ save_2D_1H-15N_HSQC/HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $TitinA59-A60 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $TitinA59-A60 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $TitinA59-A60 save_ save_(H[N[co[{CA|ca[C]}]]])_5 _Saveframe_category NMR_applied_experiment _Experiment_name (H[N[co[{CA|ca[C]}]]]) _Sample_label $TitinA59-A60 save_ save_(H[N[ca[CO]]])_6 _Saveframe_category NMR_applied_experiment _Experiment_name (H[N[ca[CO]]]) _Sample_label $TitinA59-A60 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $TitinA59-A60 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $TitinA59-A60 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $TitinA59-A60 save_ save_(H[N[co[{CA|ca[C]}]]])_10 _Saveframe_category NMR_applied_experiment _Experiment_name (H[N[co[{CA|ca[C]}]]]) _Sample_label $TitinA59-A60 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $TitinA59-A60 save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Saveframe_category sample_conditions _Details '0.5M NaCl, 50mM MES, 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 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D HNCA' '3D HNCACB' (H[N[co[{CA|ca[C]}]]]) (H[N[ca[CO]]]) '3D HN(CO)CA' '3D HNCO' stop_ loop_ _Sample_label $TitinA59-A60 stop_ _Sample_conditions_label $sample_condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Titin C1' _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 -6 14 LEU H H 7.998 0.015 1 2 -6 14 LEU CA C 55.355 0.012 1 3 -6 14 LEU CB C 42.202 0.20 1 4 -6 14 LEU N N 122.583 0.06 1 5 -5 15 VAL H H 8.028 0.017 1 6 -5 15 VAL C C 174.967 0.050 1 7 -5 15 VAL CA C 60.121 0.080 1 8 -5 15 VAL CB C 32.506 0.20 1 9 -5 15 VAL N N 123.359 0.102 1 10 5 25 PRO C C 174.945 0.050 1 11 5 25 PRO CA C 62.527 0.001 1 12 5 25 PRO CB C 32.152 0.20 1 13 6 26 ASN H H 9.356 0.004 1 14 6 26 ASN C C 174.723 0.050 1 15 6 26 ASN CA C 52.904 0.011 1 16 6 26 ASN CB C 40.337 0.20 1 17 6 26 ASN N N 118.672 0.02 1 18 7 27 ILE H H 8.765 0.018 1 19 7 27 ILE C C 177.365 0.050 1 20 7 27 ILE CA C 61.728 0.080 1 21 7 27 ILE CB C 37.097 0.20 1 22 7 27 ILE N N 124.482 0.124 1 23 8 28 VAL H H 8.805 0.006 1 24 8 28 VAL C C 176.088 0.050 1 25 8 28 VAL CA C 62.595 0.032 1 26 8 28 VAL CB C 32.568 0.20 1 27 8 28 VAL N N 124.902 0.029 1 28 9 29 ASP H H 7.514 0.014 1 29 9 29 ASP C C 173.902 0.050 1 30 9 29 ASP CA C 55.324 0.042 1 31 9 29 ASP CB C 44.453 0.20 1 32 9 29 ASP N N 119.739 0.083 1 33 10 30 VAL H H 8.020 0.016 1 34 10 30 VAL C C 174.202 0.050 1 35 10 30 VAL CA C 62.932 0.080 1 36 10 30 VAL N N 125.350 0.127 1 37 11 31 ARG H H 8.948 0.005 1 38 11 31 ARG C C 176.225 0.050 1 39 11 31 ARG CA C 53.623 0.031 1 40 11 31 ARG CB C 33.715 0.20 1 41 11 31 ARG N N 126.002 0.165 1 42 12 32 HIS H H 8.638 0.005 1 43 12 32 HIS C C 172.975 0.050 1 44 12 32 HIS CA C 57.972 0.04 1 45 12 32 HIS CB C 28.010 0.20 1 46 12 32 HIS N N 113.260 0.026 1 47 13 33 ASP H H 7.070 0.004 1 48 13 33 ASP C C 177.411 0.050 1 49 13 33 ASP CA C 51.308 0.102 1 50 13 33 ASP CB C 41.502 0.20 1 51 13 33 ASP N N 111.292 0.013 1 52 14 34 SER H H 7.166 0.021 1 53 14 34 SER C C 171.696 0.050 1 54 14 34 SER CA C 57.272 0.076 1 55 14 34 SER CB C 65.781 0.20 1 56 14 34 SER N N 113.916 0.094 1 57 15 35 VAL H H 7.982 0.004 1 58 15 35 VAL C C 175.074 0.050 1 59 15 35 VAL CA C 61.345 0.032 1 60 15 35 VAL CB C 36.983 0.20 1 61 15 35 VAL N N 118.610 0.03 1 62 16 36 SER H H 8.886 0.007 1 63 16 36 SER C C 173.940 0.050 1 64 16 36 SER CA C 57.669 0.008 1 65 16 36 SER CB C 63.398 0.20 1 66 16 36 SER N N 122.889 0.079 1 67 17 37 LEU H H 9.067 0.004 1 68 17 37 LEU C C 177.115 0.050 1 69 17 37 LEU CA C 55.058 0.035 1 70 17 37 LEU CB C 46.863 0.20 1 71 17 37 LEU N N 125.092 0.099 1 72 18 38 THR H H 8.784 0.028 1 73 18 38 THR C C 173.211 0.050 1 74 18 38 THR CA C 60.298 0.080 1 75 18 38 THR CB C 71.692 0.20 1 76 18 38 THR N N 113.346 0.096 1 77 19 39 TRP C C 174.325 0.050 1 78 19 39 TRP CA C 56.919 0.080 1 79 20 40 THR H H 7.236 0.033 1 80 20 40 THR C C 173.519 0.050 1 81 20 40 THR CA C 60.118 0.031 1 82 20 40 THR CB C 70.961 0.20 1 83 20 40 THR N N 108.367 0.122 1 84 21 41 ASP H H 8.205 0.01 1 85 21 41 ASP C C 175.932 0.050 1 86 21 41 ASP CA C 52.916 0.080 1 87 21 41 ASP CB C 40.449 0.20 1 88 21 41 ASP N N 120.408 0.132 1 89 22 42 PRO C C 176.807 0.050 1 90 22 42 PRO CA C 62.714 0.080 1 91 22 42 PRO CB C 31.935 0.20 1 92 23 43 LYS H H 8.433 0.005 1 93 23 43 LYS C C 176.807 0.050 1 94 23 43 LYS CA C 57.540 0.009 1 95 23 43 LYS CB C 32.139 0.20 1 96 23 43 LYS N N 121.996 0.002 1 97 24 44 LYS H H 8.027 0.009 1 98 24 44 LYS C C 176.987 0.050 1 99 24 44 LYS CA C 55.937 0.008 1 100 24 44 LYS CB C 32.431 0.20 1 101 24 44 LYS N N 121.095 0.128 1 102 25 45 THR H H 8.297 0.004 1 103 25 45 THR C C 175.962 0.050 1 104 25 45 THR CA C 61.931 0.080 1 105 25 45 THR CB C 69.331 0.20 1 106 25 45 THR N N 115.583 0.009 1 107 26 46 GLY H H 8.418 0.0 1 108 26 46 GLY C C 175.404 0.050 1 109 26 46 GLY CA C 45.507 0.080 1 110 26 46 GLY N N 112.215 0.01 1 111 27 47 GLY H H 8.252 0.0 1 112 27 47 GLY C C 174.522 0.050 1 113 27 47 GLY CA C 45.166 0.080 1 114 27 47 GLY N N 109.032 0.120 1 115 28 48 SER H H 8.174 0.004 1 116 28 48 SER C C 174.767 0.050 1 117 28 48 SER CA C 58.521 0.003 1 118 28 48 SER CB C 63.694 0.20 1 119 28 48 SER N N 116.256 0.06 1 120 30 50 ILE H H 8.292 0.017 1 121 30 50 ILE C C 178.708 0.050 1 122 30 50 ILE CA C 61.160 0.035 1 123 30 50 ILE CB C 38.580 0.20 1 124 30 50 ILE N N 122.225 0.018 1 125 31 51 THR H H 8.987 0.021 1 126 31 51 THR C C 175.350 0.050 1 127 31 51 THR CA C 61.465 0.059 1 128 31 51 THR CB C 68.923 0.20 1 129 31 51 THR N N 119.198 0.039 1 130 32 52 GLY H H 7.250 0.006 1 131 32 52 GLY C C 169.949 0.050 1 132 32 52 GLY CA C 44.516 0.080 1 133 32 52 GLY N N 110.961 0.074 1 134 33 53 TYR H H 8.777 0.006 1 135 33 53 TYR C C 175.512 0.050 1 136 33 53 TYR CA C 56.597 0.049 1 137 33 53 TYR CB C 42.983 0.20 1 138 33 53 TYR N N 116.190 0.071 1 139 34 54 HIS H H 8.597 0.012 1 140 34 54 HIS C C 174.233 0.050 1 141 34 54 HIS CA C 54.910 0.080 1 142 34 54 HIS N N 116.109 0.046 1 143 35 55 LEU H H 8.628 0.023 1 144 35 55 LEU C C 175.707 0.050 1 145 35 55 LEU CA C 53.096 0.080 1 146 35 55 LEU N N 124.996 0.243 1 147 36 56 GLU H H 9.129 0.005 1 148 36 56 GLU C C 175.314 0.050 1 149 36 56 GLU CA C 53.673 0.019 1 150 36 56 GLU CB C 35.304 0.20 1 151 36 56 GLU N N 124.602 0.032 1 152 37 57 PHE H H 9.845 0.009 1 153 37 57 PHE C C 173.343 0.050 1 154 37 57 PHE CA C 55.195 0.05 1 155 37 57 PHE CB C 45.956 0.20 1 156 37 57 PHE N N 119.499 0.039 1 157 38 58 LYS H H 8.269 0.005 1 158 38 58 LYS C C 175.796 0.050 1 159 38 58 LYS CA C 55.571 0.018 1 160 38 58 LYS CB C 35.278 0.20 1 161 38 58 LYS N N 116.562 0.042 1 162 39 59 GLU H H 8.792 0.008 1 163 39 59 GLU C C 179.374 0.050 1 164 39 59 GLU CA C 56.389 0.048 1 165 39 59 GLU CB C 29.252 0.20 1 166 39 59 GLU N N 125.575 0.13 1 167 40 60 ARG H H 8.446 0.011 1 168 40 60 ARG C C 177.179 0.050 1 169 40 60 ARG CA C 58.946 0.027 1 170 40 60 ARG CB C 30.220 0.20 1 171 40 60 ARG N N 126.402 0.115 1 172 41 61 ASN H H 8.331 0.018 1 173 41 61 ASN C C 175.365 0.050 1 174 41 61 ASN CA C 53.725 0.121 1 175 41 61 ASN CB C 37.896 0.20 1 176 41 61 ASN N N 114.203 0.098 1 177 42 62 SER H H 7.598 0.006 1 178 42 62 SER C C 174.176 0.050 1 179 42 62 SER CA C 57.166 0.080 1 180 42 62 SER CB C 63.888 0.20 1 181 42 62 SER N N 116.079 0.051 1 182 43 63 LEU C C 177.725 0.050 1 183 43 63 LEU CA C 55.500 0.080 1 184 43 63 LEU CB C 42.950 0.20 1 185 44 64 LEU H H 7.566 0.006 1 186 44 64 LEU C C 175.900 0.050 1 187 44 64 LEU CA C 54.118 0.056 1 188 44 64 LEU CB C 43.046 0.20 1 189 44 64 LEU N N 121.071 0.021 1 190 45 65 TRP H H 8.288 0.032 1 191 45 65 TRP C C 176.949 0.050 1 192 45 65 TRP CA C 57.882 0.102 1 193 45 65 TRP CB C 29.568 0.20 1 194 45 65 TRP N N 125.855 0.125 1 195 46 66 LYS H H 8.828 0.004 1 196 46 66 LYS C C 176.072 0.050 1 197 46 66 LYS CA C 55.017 0.067 1 198 46 66 LYS CB C 34.164 0.20 1 199 46 66 LYS N N 124.306 0.056 1 200 47 67 ARG H H 8.698 0.007 1 201 47 67 ARG C C 177.582 0.050 1 202 47 67 ARG CA C 56.361 0.013 1 203 47 67 ARG CB C 29.952 0.20 1 204 47 67 ARG N N 123.050 0.037 1 205 48 68 ALA H H 9.563 0.004 1 206 48 68 ALA C C 177.116 0.050 1 207 48 68 ALA CA C 53.459 0.080 1 208 48 68 ALA CB C 21.417 0.20 1 209 48 68 ALA N N 127.992 0.064 1 210 49 69 ASN C C 176.476 0.050 1 211 49 69 ASN CA C 53.440 0.080 1 212 50 70 LYS H H 8.701 0.002 1 213 50 70 LYS CA C 57.758 0.080 1 214 50 70 LYS CB C 33.910 0.20 1 215 50 70 LYS N N 112.141 0.026 1 216 52 72 PRO CA C 62.955 0.080 1 217 52 72 PRO CB C 31.998 0.20 1 218 53 73 ILE H H 8.213 0.003 1 219 53 73 ILE CA C 61.191 0.080 1 220 53 73 ILE CB C 39.031 0.20 1 221 53 73 ILE N N 122.004 0.056 1 222 54 74 ARG CA C 56.321 0.080 1 223 54 74 ARG CB C 30.277 0.20 1 224 55 75 MET H H 7.588 0.008 1 225 55 75 MET C C 173.737 0.050 1 226 55 75 MET CA C 54.485 0.008 1 227 55 75 MET CB C 33.315 0.20 1 228 55 75 MET N N 118.765 0.032 1 229 56 76 ARG H H 7.612 0.01 1 230 56 76 ARG C C 173.825 0.050 1 231 56 76 ARG CA C 54.625 0.0 1 232 56 76 ARG CB C 33.169 0.20 1 233 56 76 ARG N N 117.790 0.036 1 234 57 77 ASP H H 6.571 0.011 1 235 57 77 ASP C C 174.648 0.050 1 236 57 77 ASP CA C 53.276 0.02 1 237 57 77 ASP CB C 44.462 0.20 1 238 57 77 ASP N N 115.638 0.006 1 239 58 78 PHE H H 8.327 0.007 1 240 58 78 PHE C C 172.518 0.050 1 241 58 78 PHE CA C 59.452 0.032 1 242 58 78 PHE CB C 43.934 0.20 1 243 58 78 PHE N N 119.356 0.026 1 244 59 79 LYS H H 7.146 0.026 1 245 59 79 LYS C C 174.382 0.050 1 246 59 79 LYS CA C 54.840 0.078 1 247 59 79 LYS CB C 33.862 0.20 1 248 59 79 LYS N N 127.974 0.136 1 249 60 80 VAL H H 8.941 0.026 1 250 60 80 VAL C C 175.724 0.050 1 251 60 80 VAL CA C 62.617 0.023 1 252 60 80 VAL CB C 31.562 0.20 1 253 60 80 VAL N N 129.682 0.1 1 254 61 81 THR H H 7.826 0.009 1 255 61 81 THR C C 174.672 0.050 1 256 61 81 THR CA C 59.931 0.007 1 257 61 81 THR CB C 70.466 0.20 1 258 61 81 THR N N 116.846 0.114 1 259 62 82 GLY H H 8.388 0.004 1 260 62 82 GLY C C 176.267 0.050 1 261 62 82 GLY CA C 45.904 0.049 1 262 62 82 GLY N N 107.044 0.019 1 263 63 83 LEU H H 7.610 0.008 1 264 63 83 LEU CA C 54.191 0.06 1 265 63 83 LEU CB C 40.033 0.20 1 266 63 83 LEU N N 119.477 0.087 1 267 64 84 THR H H 8.478 0.007 1 268 64 84 THR C C 173.012 0.050 1 269 64 84 THR CA C 62.903 0.017 1 270 64 84 THR CB C 69.952 0.20 1 271 64 84 THR N N 119.599 0.037 1 272 65 85 GLU H H 8.142 0.008 1 273 65 85 GLU C C 178.807 0.050 1 274 65 85 GLU CA C 57.579 0.015 1 275 65 85 GLU CB C 29.817 0.20 1 276 65 85 GLU N N 129.433 0.051 1 277 66 86 GLY H H 9.910 0.026 1 278 66 86 GLY C C 174.462 0.050 1 279 66 86 GLY CA C 44.732 0.161 1 280 66 86 GLY N N 114.466 0.076 1 281 67 87 LEU H H 7.772 0.014 1 282 67 87 LEU C C 174.621 0.050 1 283 67 87 LEU CA C 54.376 0.080 1 284 67 87 LEU CB C 40.813 0.20 1 285 67 87 LEU N N 122.031 0.073 1 286 68 88 GLU H H 8.113 0.02 1 287 68 88 GLU C C 176.014 0.050 1 288 68 88 GLU CA C 54.541 0.019 1 289 68 88 GLU CB C 32.285 0.20 1 290 68 88 GLU N N 120.761 0.154 1 291 69 89 TYR H H 9.244 0.008 1 292 69 89 TYR C C 174.952 0.050 1 293 69 89 TYR CA C 57.897 0.036 1 294 69 89 TYR CB C 44.507 0.20 1 295 69 89 TYR N N 124.005 0.047 1 296 70 90 GLU H H 8.391 0.006 1 297 70 90 GLU C C 174.660 0.050 1 298 70 90 GLU CA C 54.974 0.017 1 299 70 90 GLU CB C 34.755 0.20 1 300 70 90 GLU N N 116.561 0.06 1 301 71 91 PHE H H 8.085 0.004 1 302 71 91 PHE C C 175.102 0.050 1 303 71 91 PHE CA C 57.511 0.007 1 304 71 91 PHE CB C 43.959 0.20 1 305 71 91 PHE N N 115.559 0.02 1 306 72 92 ARG H H 9.456 0.006 1 307 72 92 ARG C C 172.098 0.050 1 308 72 92 ARG CA C 55.376 0.064 1 309 72 92 ARG CB C 32.407 0.20 1 310 72 92 ARG N N 118.550 0.089 1 311 73 93 VAL H H 8.232 0.013 1 312 73 93 VAL CA C 59.165 0.017 1 313 73 93 VAL N N 118.948 0.114 1 314 75 95 ALA C C 176.341 0.050 1 315 75 95 ALA CA C 51.333 0.016 1 316 75 95 ALA CB C 20.356 0.20 1 317 76 96 ILE H H 8.376 0.011 1 318 76 96 ILE C C 175.309 0.050 1 319 76 96 ILE CA C 60.825 0.080 1 320 76 96 ILE CB C 39.209 0.20 1 321 76 96 ILE N N 123.692 0.029 1 322 77 97 ASN H H 8.295 0.01 1 323 77 97 ASN C C 177.211 0.050 1 324 77 97 ASN CA C 51.555 0.080 1 325 77 97 ASN CB C 39.943 0.20 1 326 77 97 ASN N N 124.969 0.042 1 327 78 98 LEU H H 8.158 0.012 1 328 78 98 LEU C C 178.381 0.050 1 329 78 98 LEU CA C 57.793 0.080 1 330 78 98 LEU CB C 41.205 0.20 1 331 78 98 LEU N N 119.997 0.067 1 332 79 99 ALA H H 7.741 0.007 1 333 79 99 ALA C C 177.930 0.050 1 334 79 99 ALA CA C 52.582 0.102 1 335 79 99 ALA CB C 19.017 0.20 1 336 79 99 ALA N N 119.977 0.016 1 337 80 100 GLY H H 7.794 0.01 1 338 80 100 GLY C C 173.024 0.050 1 339 80 100 GLY CA C 44.670 0.031 1 340 80 100 GLY N N 108.035 0.024 1 341 81 101 VAL H H 8.231 0.012 1 342 81 101 VAL C C 177.179 0.050 1 343 81 101 VAL CA C 62.825 0.080 1 344 81 101 VAL CB C 32.326 0.20 1 345 81 101 VAL N N 122.209 0.037 1 346 82 102 GLY H H 8.703 0.027 1 347 82 102 GLY C C 173.145 0.050 1 348 82 102 GLY CA C 44.452 0.080 1 349 82 102 GLY N N 116.068 0.05 1 350 84 104 PRO C C 176.860 0.050 1 351 84 104 PRO CA C 62.243 0.080 1 352 84 104 PRO CB C 31.432 0.20 1 353 85 105 SER H H 8.598 0.028 1 354 85 105 SER C C 175.397 0.050 1 355 85 105 SER CA C 58.070 0.043 1 356 85 105 SER CB C 66.977 0.20 1 357 85 105 SER N N 115.106 0.168 1 358 86 106 LEU H H 8.656 0.031 1 359 86 106 LEU C C 176.059 0.050 1 360 86 106 LEU CA C 54.697 0.080 1 361 86 106 LEU CB C 40.603 0.20 1 362 86 106 LEU N N 120.604 0.094 1 363 87 107 PRO C C 178.226 0.050 1 364 87 107 PRO CA C 62.357 0.080 1 365 87 107 PRO CB C 32.884 0.20 1 366 88 108 SER H H 9.511 0.006 1 367 88 108 SER C C 173.950 0.050 1 368 88 108 SER CA C 58.538 0.091 1 369 88 108 SER CB C 65.827 0.20 1 370 88 108 SER N N 115.450 0.053 1 371 89 109 GLU H H 8.516 0.018 1 372 89 109 GLU C C 175.302 0.050 1 373 89 109 GLU CA C 55.637 0.080 1 374 89 109 GLU CB C 28.535 0.20 1 375 89 109 GLU N N 120.497 0.034 1 376 90 110 PRO C C 177.924 0.050 1 377 90 110 PRO CA C 62.253 0.080 1 378 90 110 PRO CB C 31.696 0.20 1 379 91 111 VAL H H 9.125 0.013 1 380 91 111 VAL C C 174.287 0.050 1 381 91 111 VAL CA C 60.089 0.049 1 382 91 111 VAL N N 119.911 0.055 1 383 92 112 VAL H H 8.330 0.025 1 384 92 112 VAL C C 176.517 0.050 1 385 92 112 VAL CA C 61.036 0.059 1 386 92 112 VAL CB C 32.306 0.20 1 387 92 112 VAL N N 126.447 0.062 1 388 93 113 ALA H H 8.390 0.006 1 389 93 113 ALA C C 174.993 0.050 1 390 93 113 ALA CA C 53.466 0.182 1 391 93 113 ALA CB C 16.841 0.20 1 392 93 113 ALA N N 131.466 0.078 1 393 94 114 LEU H H 7.002 0.006 1 394 94 114 LEU C C 176.670 0.050 1 395 94 114 LEU CA C 53.606 0.006 1 396 94 114 LEU CB C 47.496 0.20 1 397 94 114 LEU N N 128.692 0.044 1 398 95 115 ASP H H 9.223 0.018 1 399 95 115 ASP C C 175.253 0.050 1 400 95 115 ASP CA C 51.787 0.080 1 401 95 115 ASP CB C 39.450 0.20 1 402 95 115 ASP N N 121.709 0.09 1 403 96 116 PRO CA C 62.240 0.080 1 404 96 116 PRO CB C 31.484 0.20 1 405 97 117 ILE H H 7.796 0.012 1 406 97 117 ILE C C 176.768 0.050 1 407 97 117 ILE CA C 60.684 0.042 1 408 97 117 ILE CB C 40.365 0.20 1 409 97 117 ILE N N 122.188 0.061 1 410 98 118 ASP H H 7.995 0.013 1 411 98 118 ASP C C 172.949 0.050 1 412 98 118 ASP CA C 54.172 0.080 1 413 98 118 ASP CB C 40.647 0.20 1 414 98 118 ASP N N 128.968 0.125 1 415 100 120 PRO C C 174.946 0.050 1 416 100 120 PRO CA C 61.846 0.080 1 417 101 121 GLY H H 7.856 0.004 1 418 101 121 GLY CA C 44.739 0.080 1 419 101 121 GLY N N 106.344 0.014 1 420 102 122 LYS H H 7.638 0.008 1 421 102 122 LYS CA C 54.480 0.0 1 422 102 122 LYS CB C 33.493 0.20 1 423 102 122 LYS N N 119.358 0.069 1 424 106 126 ILE H H 8.555 0.025 1 425 106 126 ILE C C 176.422 0.050 1 426 106 126 ILE CA C 60.725 0.080 1 427 106 126 ILE N N 122.350 0.171 1 428 107 127 ASN H H 7.531 0.009 1 429 107 127 ASN C C 172.870 0.050 1 430 107 127 ASN CA C 54.499 0.01 1 431 107 127 ASN N N 118.666 0.120 1 432 108 128 ILE H H 8.166 0.012 1 433 108 128 ILE C C 175.535 0.050 1 434 108 128 ILE CA C 62.149 0.057 1 435 108 128 ILE CB C 42.540 0.20 1 436 108 128 ILE N N 125.516 0.073 1 437 109 129 THR H H 8.915 0.01 1 438 109 129 THR C C 174.565 0.050 1 439 109 129 THR CA C 60.395 0.080 1 440 109 129 THR N N 118.819 0.143 1 441 110 130 ARG H H 8.128 0.005 1 442 110 130 ARG C C 174.096 0.050 1 443 110 130 ARG CA C 58.398 0.015 1 444 110 130 ARG CB C 30.026 0.20 1 445 110 130 ARG N N 114.007 0.062 1 446 111 131 ASN H H 7.516 0.009 1 447 111 131 ASN C C 174.925 0.050 1 448 111 131 ASN CA C 52.244 0.06 1 449 111 131 ASN CB C 40.961 0.20 1 450 111 131 ASN N N 111.284 0.033 1 451 112 132 SER H H 7.529 0.007 1 452 112 132 SER C C 171.905 0.050 1 453 112 132 SER CA C 57.684 0.04 1 454 112 132 SER CB C 66.878 0.20 1 455 112 132 SER N N 115.212 0.068 1 456 113 133 VAL H H 7.999 0.029 1 457 113 133 VAL C C 175.001 0.050 1 458 113 133 VAL CA C 61.421 0.001 1 459 113 133 VAL CB C 37.004 0.20 1 460 113 133 VAL N N 116.200 0.023 1 461 114 134 THR H H 8.875 0.02 1 462 114 134 THR C C 172.973 0.050 1 463 114 134 THR CA C 62.859 0.080 1 464 114 134 THR N N 123.597 0.113 1 465 115 135 LEU H H 8.971 0.022 1 466 115 135 LEU C C 175.822 0.050 1 467 115 135 LEU CA C 53.441 0.047 1 468 115 135 LEU N N 128.663 0.135 1 469 116 136 ILE H H 8.565 0.004 1 470 116 136 ILE C C 175.380 0.050 1 471 116 136 ILE CA C 60.330 0.080 1 472 116 136 ILE CB C 42.181 0.20 1 473 116 136 ILE N N 113.753 0.045 1 474 117 137 TRP H H 7.126 0.045 1 475 117 137 TRP C C 174.220 0.050 1 476 117 137 TRP CA C 56.954 0.083 1 477 117 137 TRP N N 118.698 0.258 1 478 118 138 THR H H 7.118 0.025 1 479 118 138 THR C C 175.221 0.050 1 480 118 138 THR CA C 59.871 0.061 1 481 118 138 THR CB C 70.960 0.20 1 482 118 138 THR N N 107.639 0.037 1 483 119 139 GLU H H 8.726 0.02 1 484 119 139 GLU C C 175.909 0.050 1 485 119 139 GLU CA C 54.944 0.080 1 486 119 139 GLU CB C 30.562 0.20 1 487 119 139 GLU N N 124.487 0.044 1 488 120 140 PRO C C 177.292 0.050 1 489 120 140 PRO CA C 62.930 0.080 1 490 120 140 PRO CB C 33.463 0.20 1 491 121 141 LYS H H 8.931 0.005 1 492 121 141 LYS C C 177.071 0.050 1 493 121 141 LYS CA C 58.852 0.042 1 494 121 141 LYS CB C 31.420 0.20 1 495 121 141 LYS N N 124.837 0.067 1 496 122 142 TYR H H 7.742 0.006 1 497 122 142 TYR C C 175.297 0.050 1 498 122 142 TYR CA C 56.122 0.018 1 499 122 142 TYR CB C 39.518 0.20 1 500 122 142 TYR N N 118.003 0.028 1 501 123 143 ASP H H 7.498 0.004 1 502 123 143 ASP CA C 54.297 0.080 1 503 123 143 ASP CB C 40.205 0.20 1 504 123 143 ASP N N 127.581 0.051 1 505 124 144 GLY CA C 45.590 0.080 1 506 125 145 GLY H H 8.375 0.005 1 507 125 145 GLY C C 173.136 0.050 1 508 125 145 GLY CA C 44.594 0.0 1 509 125 145 GLY N N 109.916 0.011 1 510 126 146 HIS H H 6.781 0.022 1 511 126 146 HIS C C 172.805 0.050 1 512 126 146 HIS CA C 54.950 0.024 1 513 126 146 HIS CB C 33.849 0.20 1 514 126 146 HIS N N 119.121 0.199 1 515 127 147 LYS H H 7.979 0.014 1 516 127 147 LYS C C 178.185 0.050 1 517 127 147 LYS CA C 56.876 0.054 1 518 127 147 LYS CB C 32.660 0.20 1 519 127 147 LYS N N 119.283 0.157 1 520 128 148 LEU H H 8.748 0.014 1 521 128 148 LEU C C 179.315 0.050 1 522 128 148 LEU CA C 55.710 0.03 1 523 128 148 LEU CB C 41.818 0.20 1 524 128 148 LEU N N 123.393 0.058 1 525 129 149 THR H H 8.898 0.018 1 526 129 149 THR C C 175.593 0.050 1 527 129 149 THR CA C 61.229 0.108 1 528 129 149 THR N N 113.430 0.078 1 529 130 150 GLY H H 7.033 0.007 1 530 130 150 GLY C C 171.043 0.050 1 531 130 150 GLY CA C 44.958 0.151 1 532 130 150 GLY N N 109.590 0.062 1 533 131 151 TYR H H 8.521 0.018 1 534 131 151 TYR C C 175.343 0.050 1 535 131 151 TYR CA C 57.390 0.04 1 536 131 151 TYR CB C 41.986 0.20 1 537 131 151 TYR N N 115.904 0.11 1 538 132 152 ILE H H 9.043 0.01 1 539 132 152 ILE C C 175.061 0.050 1 540 132 152 ILE CA C 60.374 0.002 1 541 132 152 ILE CB C 42.014 0.20 1 542 132 152 ILE N N 122.231 0.042 1 543 133 153 VAL H H 8.550 0.035 1 544 133 153 VAL C C 175.033 0.050 1 545 133 153 VAL CA C 61.429 0.029 1 546 133 153 VAL CB C 32.022 0.20 1 547 133 153 VAL N N 128.580 0.025 1 548 134 154 GLU H H 9.358 0.005 1 549 134 154 GLU C C 175.504 0.050 1 550 134 154 GLU CA C 54.859 0.080 1 551 134 154 GLU N N 127.164 0.076 1 552 139 159 PRO CA C 63.271 0.080 1 553 139 159 PRO CB C 33.461 0.20 1 554 140 160 SER H H 8.469 0.006 1 555 140 160 SER C C 175.315 0.050 1 556 140 160 SER CA C 59.362 0.002 1 557 140 160 SER CB C 62.936 0.20 1 558 140 160 SER N N 122.290 0.055 1 559 141 161 LYS H H 8.413 0.024 1 560 141 161 LYS CA C 56.441 0.02 1 561 141 161 LYS CB C 32.365 0.20 1 562 141 161 LYS N N 123.402 0.112 1 563 142 162 SER H H 7.871 0.013 1 564 142 162 SER C C 173.178 0.050 1 565 142 162 SER CA C 58.547 0.080 1 566 142 162 SER CB C 63.441 0.20 1 567 142 162 SER N N 116.534 0.147 1 568 143 163 TRP H H 8.434 0.008 1 569 143 163 TRP C C 177.130 0.050 1 570 143 163 TRP CA C 56.806 0.080 1 571 143 163 TRP CB C 30.231 0.20 1 572 143 163 TRP N N 125.677 0.021 1 573 144 164 MET H H 9.240 0.003 1 574 144 164 MET C C 175.806 0.050 1 575 144 164 MET CA C 53.860 0.014 1 576 144 164 MET CB C 35.897 0.20 1 577 144 164 MET N N 122.238 0.016 1 578 145 165 LYS H H 8.783 0.0 1 579 145 165 LYS C C 177.020 0.050 1 580 145 165 LYS CA C 58.509 0.023 1 581 145 165 LYS N N 125.195 0.01 1 582 146 166 ALA H H 10.035 0.003 1 583 146 166 ALA C C 177.248 0.050 1 584 146 166 ALA CA C 52.032 0.011 1 585 146 166 ALA CB C 20.362 0.20 1 586 146 166 ALA N N 128.765 0.096 1 587 147 167 ASN H H 8.233 0.018 1 588 147 167 ASN C C 174.307 0.050 1 589 147 167 ASN CA C 52.871 0.080 1 590 147 167 ASN CB C 39.419 0.20 1 591 147 167 ASN N N 113.284 0.03 1 592 148 168 HIS C C 174.782 0.050 1 593 148 168 HIS CA C 56.264 0.080 1 594 148 168 HIS CB C 29.163 0.20 1 595 149 169 VAL H H 7.469 0.005 1 596 149 169 VAL C C 175.734 0.050 1 597 149 169 VAL CA C 59.358 0.080 1 598 149 169 VAL CB C 34.908 0.20 1 599 149 169 VAL N N 113.907 0.006 1 600 150 170 ASN H H 8.603 0.005 1 601 150 170 ASN CA C 54.459 0.001 1 602 150 170 ASN CB C 38.866 0.20 1 603 150 170 ASN N N 121.140 0.120 1 604 151 171 VAL H H 8.151 0.02 1 605 151 171 VAL CA C 59.896 0.080 1 606 151 171 VAL N N 125.984 0.2 1 607 153 173 GLU CA C 54.301 0.015 1 608 153 173 GLU CB C 31.910 0.20 1 609 154 174 CYS H H 7.756 0.008 1 610 154 174 CYS C C 174.539 0.050 1 611 154 174 CYS CA C 57.499 0.080 1 612 154 174 CYS CB C 24.823 0.20 1 613 154 174 CYS N N 118.955 0.091 1 614 155 175 ALA H H 7.047 0.024 1 615 155 175 ALA C C 177.263 0.050 1 616 155 175 ALA N N 123.053 0.145 1 617 156 176 PHE H H 8.772 0.006 1 618 156 176 PHE C C 173.721 0.050 1 619 156 176 PHE CA C 59.331 0.080 1 620 156 176 PHE CB C 43.481 0.20 1 621 156 176 PHE N N 119.174 0.078 1 622 157 177 THR H H 7.381 0.024 1 623 157 177 THR C C 172.452 0.050 1 624 157 177 THR CA C 61.855 0.048 1 625 157 177 THR CB C 69.444 0.20 1 626 157 177 THR N N 125.030 0.065 1 627 158 178 VAL H H 8.882 0.027 1 628 158 178 VAL C C 175.723 0.050 1 629 158 178 VAL CA C 62.104 0.049 1 630 158 178 VAL CB C 31.965 0.20 1 631 158 178 VAL N N 129.404 0.063 1 632 159 179 THR H H 7.828 0.024 1 633 159 179 THR C C 173.827 0.050 1 634 159 179 THR CA C 60.096 0.080 1 635 159 179 THR CB C 70.863 0.20 1 636 159 179 THR N N 116.918 0.119 1 637 160 180 ASP H H 8.736 0.012 1 638 160 180 ASP C C 176.102 0.050 1 639 160 180 ASP CA C 55.621 0.118 1 640 160 180 ASP CB C 38.983 0.20 1 641 160 180 ASP N N 114.354 0.052 1 642 161 181 LEU H H 7.809 0.01 1 643 161 181 LEU C C 176.285 0.050 1 644 161 181 LEU CA C 53.670 0.080 1 645 161 181 LEU CB C 40.913 0.20 1 646 161 181 LEU N N 118.460 0.163 1 647 162 182 VAL H H 8.087 0.022 1 648 162 182 VAL C C 176.230 0.050 1 649 162 182 VAL CA C 61.986 0.080 1 650 162 182 VAL CB C 33.604 0.20 1 651 162 182 VAL N N 120.256 0.105 1 652 163 183 GLU H H 8.376 0.003 1 653 163 183 GLU C C 179.008 0.050 1 654 163 183 GLU CA C 58.348 0.080 1 655 163 183 GLU N N 129.870 0.041 1 656 165 185 GLY C C 171.228 0.050 1 657 165 185 GLY CA C 45.276 0.080 1 658 166 186 LYS H H 7.198 0.01 1 659 166 186 LYS C C 174.387 0.050 1 660 166 186 LYS CA C 54.652 0.080 1 661 166 186 LYS N N 120.102 0.079 1 662 167 187 TYR H H 8.551 0.006 1 663 167 187 TYR C C 176.059 0.050 1 664 167 187 TYR CA C 51.766 0.080 1 665 167 187 TYR CB C 38.482 0.20 1 666 167 187 TYR N N 127.347 0.044 1 667 168 188 GLU H H 7.647 0.006 1 668 168 188 GLU CA C 56.809 0.080 1 669 168 188 GLU N N 126.881 0.02 1 670 169 189 PHE C C 174.796 0.050 1 671 169 189 PHE CA C 57.015 0.080 1 672 169 189 PHE CB C 43.864 0.20 1 673 170 190 ARG H H 9.166 0.008 1 674 170 190 ARG C C 171.819 0.050 1 675 170 190 ARG CA C 55.582 0.080 1 676 170 190 ARG CB C 31.400 0.20 1 677 170 190 ARG N N 117.413 0.03 1 678 171 191 ILE C C 176.857 0.050 1 679 171 191 ILE CA C 57.978 0.080 1 680 171 191 ILE CB C 39.361 0.20 1 681 172 192 ARG H H 9.110 0.011 1 682 172 192 ARG C C 174.846 0.050 1 683 172 192 ARG CA C 54.338 0.080 1 684 172 192 ARG CB C 34.424 0.20 1 685 172 192 ARG N N 122.500 0.052 1 686 173 193 ALA H H 8.931 0.011 1 687 173 193 ALA C C 174.829 0.050 1 688 173 193 ALA CA C 50.615 0.198 1 689 173 193 ALA N N 124.298 0.035 1 690 174 194 LYS H H 8.081 0.005 1 691 174 194 LYS C C 176.163 0.050 1 692 174 194 LYS CA C 54.836 0.080 1 693 174 194 LYS CB C 35.939 0.20 1 694 174 194 LYS N N 119.663 0.031 1 695 175 195 ASN H H 7.840 0.012 1 696 175 195 ASN C C 179.333 0.050 1 697 175 195 ASN CA C 51.331 0.009 1 698 175 195 ASN CB C 42.478 0.20 1 699 175 195 ASN N N 118.932 0.048 1 700 176 196 THR H H 8.460 0.035 1 701 176 196 THR C C 175.732 0.050 1 702 176 196 THR CA C 64.648 0.024 1 703 176 196 THR CB C 69.392 0.20 1 704 176 196 THR N N 111.073 0.194 1 705 177 197 ALA H H 6.946 0.022 1 706 177 197 ALA C C 177.546 0.050 1 707 177 197 ALA CA C 52.147 0.089 1 708 177 197 ALA CB C 17.817 0.20 1 709 177 197 ALA N N 123.189 0.095 1 710 178 198 GLY CA C 44.387 0.080 1 711 179 199 ALA H H 7.308 0.024 1 712 179 199 ALA C C 176.026 0.050 1 713 179 199 ALA CA C 52.380 0.059 1 714 179 199 ALA CB C 18.962 0.20 1 715 179 199 ALA N N 124.027 0.156 1 716 180 200 ILE H H 8.048 0.004 1 717 180 200 ILE C C 178.245 0.050 1 718 180 200 ILE CA C 59.724 0.039 1 719 180 200 ILE CB C 41.018 0.20 1 720 180 200 ILE N N 119.391 0.058 1 721 181 201 SER H H 9.582 0.006 1 722 181 201 SER C C 174.559 0.050 1 723 181 201 SER CA C 58.996 0.017 1 724 181 201 SER CB C 66.378 0.20 1 725 181 201 SER N N 126.309 0.055 1 726 182 202 ALA H H 8.602 0.008 1 727 182 202 ALA C C 175.790 0.050 1 728 182 202 ALA CA C 51.838 0.064 1 729 182 202 ALA CB C 16.838 0.20 1 730 182 202 ALA N N 123.341 0.029 1 731 183 203 PRO CA C 62.545 0.080 1 732 184 204 SER H H 8.822 0.005 1 733 184 204 SER C C 174.726 0.050 1 734 184 204 SER CA C 58.307 0.080 1 735 184 204 SER CB C 67.092 0.20 1 736 184 204 SER N N 115.415 0.087 1 737 185 205 GLU H H 8.587 0.005 1 738 185 205 GLU C C 177.642 0.050 1 739 185 205 GLU CA C 58.173 0.080 1 740 185 205 GLU CB C 30.772 0.20 1 741 185 205 GLU N N 119.929 0.120 1 742 186 206 SER H H 8.594 0.009 1 743 186 206 SER C C 176.889 0.050 1 744 186 206 SER CA C 57.771 0.001 1 745 186 206 SER CB C 65.840 0.20 1 746 186 206 SER N N 119.932 0.023 1 747 191 211 ILE C C 177.616 0.050 1 748 191 211 ILE CA C 59.337 0.080 1 749 192 212 CYS H H 8.172 0.004 1 750 192 212 CYS C C 174.944 0.050 1 751 192 212 CYS CA C 63.414 0.094 1 752 192 212 CYS CB C 27.368 0.20 1 753 192 212 CYS N N 126.556 0.06 1 754 193 213 LYS H H 6.995 0.015 1 755 193 213 LYS C C 174.598 0.050 1 756 193 213 LYS CA C 55.341 0.080 1 757 193 213 LYS CB C 34.890 0.20 1 758 193 213 LYS N N 125.167 0.106 1 759 194 214 ASP H H 8.732 0.007 1 760 194 214 ASP C C 176.910 0.050 1 761 194 214 ASP CA C 54.704 0.065 1 762 194 214 ASP CB C 41.482 0.20 1 763 194 214 ASP N N 121.577 0.024 1 764 195 215 GLU H H 8.534 0.006 1 765 195 215 GLU C C 176.501 0.050 1 766 195 215 GLU CA C 56.960 0.026 1 767 195 215 GLU CB C 30.132 0.20 1 768 195 215 GLU N N 122.666 0.033 1 769 196 216 TYR H H 8.173 0.006 1 770 196 216 TYR C C 175.924 0.050 1 771 196 216 TYR CA C 57.759 0.008 1 772 196 216 TYR CB C 38.508 0.20 1 773 196 216 TYR N N 121.745 0.051 1 774 197 217 GLU H H 8.155 0.006 1 775 197 217 GLU C C 175.281 0.050 1 776 197 217 GLU CA C 56.413 0.047 1 777 197 217 GLU CB C 30.385 0.20 1 778 197 217 GLU N N 124.564 0.046 1 779 198 218 ALA H H 7.892 0.005 1 780 198 218 ALA C C 177.974 0.050 1 781 198 218 ALA CA C 53.752 0.20 1 782 198 218 ALA CB C 19.871 0.20 1 783 198 218 ALA N N 132.207 0.048 1 stop_ save_