data_26642 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N Chemical Shift Assignments for the Plakin Repeat Domain of Envoplakin ; _BMRB_accession_number 26642 _BMRB_flat_file_name bmr26642.str _Entry_type original _Submission_date 2015-08-28 _Accession_date 2015-08-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone 1H, 13C and 15N Chemical Shift Assignments' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Overduin Michael . . 2 Jeeves Mark . . 3 Fogl Claudia L.F. . 4 Al-Jassar Caezar . . 5 Chidgey Martyn . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 184 "13C chemical shifts" 562 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-11 update BMRB 'update entry citation' 2015-12-17 original author 'original release' stop_ _Original_release_date 2015-12-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Sequence-specific 1H, 13C and 15N backbone resonance assignments of the plakin repeat domain of human envoplakin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26590577 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jeeves Mark . . 2 Fogl Claudia . . 3 Al-Jassar Caezar . . 4 Chidgey Martyn . . 5 Overduin Michael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 167 _Page_last 170 _Year 2016 _Details . loop_ _Keyword 'backbone resonance assignment' 'cornified envelope' cytoskeleton envoplakin plakin 'plakin repeat domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Envoplakin PRD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Envoplakin PRD' $Envoplakin_PRD stop_ _System_molecular_weight 21999.2 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'epidermis development' keratinization 'keratinocyte differentiation' 'protein binding, bridging' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Envoplakin_PRD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Envoplakin_PRD _Molecular_mass 21999.2 _Mol_thiol_state 'all free' loop_ _Biological_function 'epidermis development' keratinization 'keratinocyte differentiation' 'protein binding, bridging' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 201 _Mol_residue_sequence ; GAMGIRNSDDSFPIAGIYDT TTDNKCSIKTAVAKNMLDPI TGQKLLEAQAATGGIVDLLS RERYSVHKAMERGLIENTST QRLLNAQKAFTGIEDPVTKK RLSVGEAVQKGWMPRESVLP HLQVQHLTGGLIDPKRTGRI PIQQALLSGMISEELAQLLQ DESSYEKDLTDPISKERLSY KEAMGRCRKDPLSGLLLLPA A ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 ILE 6 ARG 7 ASN 8 SER 9 ASP 10 ASP 11 SER 12 PHE 13 PRO 14 ILE 15 ALA 16 GLY 17 ILE 18 TYR 19 ASP 20 THR 21 THR 22 THR 23 ASP 24 ASN 25 LYS 26 CYS 27 SER 28 ILE 29 LYS 30 THR 31 ALA 32 VAL 33 ALA 34 LYS 35 ASN 36 MET 37 LEU 38 ASP 39 PRO 40 ILE 41 THR 42 GLY 43 GLN 44 LYS 45 LEU 46 LEU 47 GLU 48 ALA 49 GLN 50 ALA 51 ALA 52 THR 53 GLY 54 GLY 55 ILE 56 VAL 57 ASP 58 LEU 59 LEU 60 SER 61 ARG 62 GLU 63 ARG 64 TYR 65 SER 66 VAL 67 HIS 68 LYS 69 ALA 70 MET 71 GLU 72 ARG 73 GLY 74 LEU 75 ILE 76 GLU 77 ASN 78 THR 79 SER 80 THR 81 GLN 82 ARG 83 LEU 84 LEU 85 ASN 86 ALA 87 GLN 88 LYS 89 ALA 90 PHE 91 THR 92 GLY 93 ILE 94 GLU 95 ASP 96 PRO 97 VAL 98 THR 99 LYS 100 LYS 101 ARG 102 LEU 103 SER 104 VAL 105 GLY 106 GLU 107 ALA 108 VAL 109 GLN 110 LYS 111 GLY 112 TRP 113 MET 114 PRO 115 ARG 116 GLU 117 SER 118 VAL 119 LEU 120 PRO 121 HIS 122 LEU 123 GLN 124 VAL 125 GLN 126 HIS 127 LEU 128 THR 129 GLY 130 GLY 131 LEU 132 ILE 133 ASP 134 PRO 135 LYS 136 ARG 137 THR 138 GLY 139 ARG 140 ILE 141 PRO 142 ILE 143 GLN 144 GLN 145 ALA 146 LEU 147 LEU 148 SER 149 GLY 150 MET 151 ILE 152 SER 153 GLU 154 GLU 155 LEU 156 ALA 157 GLN 158 LEU 159 LEU 160 GLN 161 ASP 162 GLU 163 SER 164 SER 165 TYR 166 GLU 167 LYS 168 ASP 169 LEU 170 THR 171 ASP 172 PRO 173 ILE 174 SER 175 LYS 176 GLU 177 ARG 178 LEU 179 SER 180 TYR 181 LYS 182 GLU 183 ALA 184 MET 185 GLY 186 ARG 187 CYS 188 ARG 189 LYS 190 ASP 191 PRO 192 LEU 193 SER 194 GLY 195 LEU 196 LEU 197 LEU 198 LEU 199 PRO 200 ALA 201 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value NCBI NP_001979.2 envoplakin . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Envoplakin_PRD Human 9606 Eukaryota Metazoa Homo sapiens EVPL 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 $Envoplakin_PRD 'recombinant technology' . Escherichia coli BL21* pProEx-HTc stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Envoplakin_PRD 800 uM '[U-99% 13C; U-99% 15N]' D2O 10 % 'natural abundance' NaCl 50 mM 'natural abundance' 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 processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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 'ionic strength' 0.05 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPNMR_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCO' '3D HCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Envoplakin PRD' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 GLY H H 8.373 0.004 1 2 4 4 GLY C C 178.651 0.000 1 3 4 4 GLY CA C 43.664 0.063 1 4 4 4 GLY N N 110.138 0.010 1 5 5 5 ILE H H 7.987 0.003 1 6 5 5 ILE C C 178.207 0.006 1 7 5 5 ILE CA C 59.467 0.053 1 8 5 5 ILE CB C 37.033 0.079 1 9 5 5 ILE N N 120.230 0.010 1 10 6 6 ARG H H 8.452 0.003 1 11 6 6 ARG C C 177.832 0.000 1 12 6 6 ARG CA C 54.225 0.026 1 13 6 6 ARG CB C 29.228 0.000 1 14 6 6 ARG N N 125.341 0.012 1 15 8 8 SER C C 176.361 0.000 1 16 9 9 ASP H H 8.376 0.004 1 17 9 9 ASP C C 178.000 0.006 1 18 9 9 ASP CA C 53.076 0.046 1 19 9 9 ASP CB C 39.448 0.088 1 20 9 9 ASP N N 122.287 0.030 1 21 10 10 ASP H H 8.221 0.004 1 22 10 10 ASP CB C 39.527 0.089 1 23 10 10 ASP N N 120.451 0.009 1 24 11 11 SER H H 8.279 0.005 1 25 11 11 SER C C 176.242 0.005 1 26 11 11 SER CA C 56.504 0.062 1 27 11 11 SER CB C 62.112 0.000 1 28 11 11 SER N N 115.883 0.012 1 29 12 12 PHE H H 8.303 0.004 1 30 12 12 PHE C C 175.881 0.000 1 31 12 12 PHE CA C 54.346 0.038 1 32 12 12 PHE CB C 37.968 0.000 1 33 12 12 PHE N N 123.624 0.021 1 34 13 13 PRO C C 177.165 0.000 1 35 13 13 PRO CA C 59.935 0.000 1 36 13 13 PRO CB C 29.475 0.082 1 37 14 14 ILE H H 7.993 0.004 1 38 14 14 ILE C C 180.051 0.000 1 39 14 14 ILE CA C 64.233 0.000 1 40 14 14 ILE CB C 35.521 0.000 1 41 14 14 ILE N N 116.042 0.070 1 42 15 15 ALA H H 9.154 0.004 1 43 15 15 ALA C C 178.585 0.022 1 44 15 15 ALA CA C 52.676 0.057 1 45 15 15 ALA CB C 21.020 0.000 1 46 15 15 ALA N N 133.223 0.016 1 47 16 16 GLY H H 7.473 0.005 1 48 16 16 GLY C C 170.780 0.000 1 49 16 16 GLY CA C 43.812 0.070 1 50 16 16 GLY N N 102.134 0.028 1 51 17 17 ILE H H 8.965 0.006 1 52 17 17 ILE C C 176.030 0.012 1 53 17 17 ILE CA C 55.321 0.086 1 54 17 17 ILE CB C 37.705 0.043 1 55 17 17 ILE N N 122.689 0.017 1 56 18 18 TYR H H 8.318 0.007 1 57 18 18 TYR C C 174.791 0.009 1 58 18 18 TYR CA C 54.780 0.075 1 59 18 18 TYR CB C 37.802 0.000 1 60 18 18 TYR N N 126.965 0.043 1 61 19 19 ASP H H 8.412 0.007 1 62 19 19 ASP C C 178.353 0.048 1 63 19 19 ASP CA C 51.025 0.070 1 64 19 19 ASP CB C 39.118 0.000 1 65 19 19 ASP N N 127.066 0.051 1 66 20 20 THR H H 8.615 0.005 1 67 20 20 THR C C 178.031 0.027 1 68 20 20 THR CA C 62.448 0.071 1 69 20 20 THR CB C 67.884 0.109 1 70 20 20 THR N N 117.878 0.025 1 71 21 21 THR H H 8.677 0.005 1 72 21 21 THR C C 178.266 0.000 1 73 21 21 THR CA C 63.164 0.080 1 74 21 21 THR CB C 66.683 0.082 1 75 21 21 THR N N 117.330 0.038 1 76 22 22 THR H H 6.915 0.004 1 77 22 22 THR C C 176.570 0.005 1 78 22 22 THR CA C 59.685 0.063 1 79 22 22 THR CB C 69.133 0.083 1 80 22 22 THR N N 108.433 0.031 1 81 23 23 ASP H H 8.031 0.003 1 82 23 23 ASP C C 175.637 0.015 1 83 23 23 ASP CA C 54.147 0.069 1 84 23 23 ASP CB C 37.600 0.081 1 85 23 23 ASP N N 119.183 0.026 1 86 24 24 ASN H H 7.160 0.006 1 87 24 24 ASN C C 175.565 0.070 1 88 24 24 ASN CA C 50.135 0.020 1 89 24 24 ASN CB C 40.591 0.093 1 90 24 24 ASN N N 114.834 0.026 1 91 25 25 LYS H H 8.491 0.002 1 92 25 25 LYS C C 177.400 0.007 1 93 25 25 LYS CA C 53.118 0.050 1 94 25 25 LYS CB C 32.916 0.083 1 95 25 25 LYS N N 119.685 0.011 1 96 26 26 CYS H H 9.209 0.005 1 97 26 26 CYS C C 174.181 0.013 1 98 26 26 CYS CA C 54.740 0.072 1 99 26 26 CYS CB C 28.905 0.000 1 100 26 26 CYS N N 118.376 0.021 1 101 27 27 SER H H 9.057 0.003 1 102 27 27 SER C C 176.985 0.015 1 103 27 27 SER CA C 55.333 0.070 1 104 27 27 SER CB C 63.110 0.025 1 105 27 27 SER N N 119.196 0.027 1 106 28 28 ILE H H 9.279 0.004 1 107 28 28 ILE C C 178.662 0.000 1 108 28 28 ILE CA C 64.269 0.132 1 109 28 28 ILE CB C 36.112 0.000 1 110 28 28 ILE N N 121.578 0.029 1 111 29 29 LYS H H 8.029 0.006 1 112 29 29 LYS C C 181.595 0.005 1 113 29 29 LYS CA C 58.137 0.060 1 114 29 29 LYS CB C 30.920 0.000 1 115 29 29 LYS N N 117.924 0.026 1 116 30 30 THR H H 8.095 0.004 1 117 30 30 THR C C 177.00 0.000 1 118 30 30 THR CA C 64.655 0.064 1 119 30 30 THR CB C 66.776 0.043 1 120 30 30 THR N N 118.137 0.023 1 121 31 31 ALA H H 8.499 0.004 1 122 31 31 ALA C C 182.116 0.000 1 123 31 31 ALA CA C 53.555 0.067 1 124 31 31 ALA CB C 17.932 0.057 1 125 31 31 ALA N N 123.262 0.024 1 126 32 32 VAL H H 8.533 0.005 1 127 32 32 VAL C C 182.208 0.001 1 128 32 32 VAL CA C 64.081 0.043 1 129 32 32 VAL CB C 30.099 0.006 1 130 32 32 VAL N N 119.332 0.027 1 131 33 33 ALA H H 7.899 0.004 1 132 33 33 ALA C C 181.517 0.004 1 133 33 33 ALA CA C 53.511 0.051 1 134 33 33 ALA CB C 16.120 0.000 1 135 33 33 ALA N N 124.540 0.007 1 136 34 34 LYS H H 7.870 0.005 1 137 34 34 LYS C C 177.671 0.013 1 138 34 34 LYS CA C 54.380 0.070 1 139 34 34 LYS CB C 30.712 0.000 1 140 34 34 LYS N N 114.585 0.011 1 141 35 35 ASN H H 8.119 0.006 1 142 35 35 ASN C C 176.606 0.009 1 143 35 35 ASN CA C 53.291 0.057 1 144 35 35 ASN CB C 35.247 0.000 1 145 35 35 ASN N N 114.465 0.020 1 146 36 36 MET H H 8.445 0.005 1 147 36 36 MET C C 176.163 0.018 1 148 36 36 MET CA C 55.312 0.065 1 149 36 36 MET CB C 33.839 0.093 1 150 36 36 MET N N 115.223 0.017 1 151 37 37 LEU H H 6.806 0.005 1 152 37 37 LEU C C 176.498 0.011 1 153 37 37 LEU CA C 50.876 0.055 1 154 37 37 LEU CB C 45.843 0.038 1 155 37 37 LEU N N 116.132 0.022 1 156 38 38 ASP H H 7.811 0.005 1 157 38 38 ASP C C 176.178 0.000 1 158 38 38 ASP CA C 51.178 0.033 1 159 38 38 ASP CB C 39.245 0.000 1 160 38 38 ASP N N 123.773 0.020 1 161 39 39 PRO C C 181.368 0.000 1 162 39 39 PRO CA C 63.876 0.053 1 163 39 39 PRO CB C 30.718 0.087 1 164 40 40 ILE H H 7.931 0.005 1 165 40 40 ILE C C 180.317 0.007 1 166 40 40 ILE CA C 62.723 0.063 1 167 40 40 ILE CB C 34.598 0.062 1 168 40 40 ILE N N 121.102 0.015 1 169 41 41 THR H H 8.743 0.006 1 170 41 41 THR C C 179.048 0.000 1 171 41 41 THR CA C 66.102 0.063 1 172 41 41 THR N N 121.035 0.028 1 173 42 42 GLY H H 8.409 0.006 1 174 42 42 GLY C C 175.846 0.021 1 175 42 42 GLY CA C 46.816 0.050 1 176 42 42 GLY N N 105.418 0.022 1 177 43 43 GLN H H 8.011 0.005 1 178 43 43 GLN C C 180.573 0.008 1 179 43 43 GLN CA C 57.534 0.067 1 180 43 43 GLN CB C 26.385 0.088 1 181 43 43 GLN N N 121.489 0.036 1 182 44 44 LYS H H 8.453 0.004 1 183 44 44 LYS C C 183.220 0.000 1 184 44 44 LYS CA C 57.969 0.067 1 185 44 44 LYS CB C 30.684 0.000 1 186 44 44 LYS N N 119.384 0.017 1 187 45 45 LEU H H 8.652 0.005 1 188 45 45 LEU C C 183.563 0.006 1 189 45 45 LEU CA C 56.382 0.064 1 190 45 45 LEU CB C 40.344 0.092 1 191 45 45 LEU N N 119.632 0.046 1 192 46 46 LEU H H 8.359 0.005 1 193 46 46 LEU C C 181.374 0.002 1 194 46 46 LEU CA C 56.864 0.085 1 195 46 46 LEU CB C 40.763 0.076 1 196 46 46 LEU N N 123.322 0.046 1 197 47 47 GLU H H 9.134 0.005 1 198 47 47 GLU C C 180.056 0.012 1 199 47 47 GLU CA C 58.843 0.056 1 200 47 47 GLU CB C 28.194 0.000 1 201 47 47 GLU N N 122.518 0.030 1 202 48 48 ALA H H 7.695 0.006 1 203 48 48 ALA C C 182.158 0.010 1 204 48 48 ALA CA C 52.942 0.056 1 205 48 48 ALA CB C 18.154 0.000 1 206 48 48 ALA N N 118.898 0.026 1 207 49 49 GLN H H 7.207 0.005 1 208 49 49 GLN C C 180.508 0.006 1 209 49 49 GLN CA C 57.201 0.065 1 210 49 49 GLN CB C 24.440 0.087 1 211 49 49 GLN N N 115.373 0.015 1 212 50 50 ALA H H 8.357 0.005 1 213 50 50 ALA C C 181.190 0.005 1 214 50 50 ALA CA C 53.973 0.044 1 215 50 50 ALA CB C 15.962 0.000 1 216 50 50 ALA N N 124.682 0.010 1 217 51 51 ALA H H 8.225 0.004 1 218 51 51 ALA C C 179.534 0.005 1 219 51 51 ALA CA C 52.215 0.056 1 220 51 51 ALA CB C 17.632 0.000 1 221 51 51 ALA N N 115.169 0.034 1 222 52 52 THR H H 7.086 0.007 1 223 52 52 THR C C 175.382 0.015 1 224 52 52 THR CA C 58.305 0.073 1 225 52 52 THR CB C 68.019 0.043 1 226 52 52 THR N N 101.538 0.036 1 227 53 53 GLY H H 6.120 0.006 1 228 53 53 GLY C C 175.043 0.004 1 229 53 53 GLY CA C 42.006 0.050 1 230 53 53 GLY N N 106.501 0.042 1 231 54 54 GLY H H 7.595 0.005 1 232 54 54 GLY C C 175.904 0.005 1 233 54 54 GLY CA C 42.492 0.056 1 234 54 54 GLY N N 106.651 0.031 1 235 55 55 ILE H H 9.208 0.006 1 236 55 55 ILE C C 178.331 0.008 1 237 55 55 ILE CA C 57.980 0.053 1 238 55 55 ILE CB C 34.641 0.000 1 239 55 55 ILE N N 122.298 0.021 1 240 56 56 VAL H H 7.599 0.006 1 241 56 56 VAL C C 177.045 0.003 1 242 56 56 VAL CA C 61.076 0.066 1 243 56 56 VAL CB C 32.650 0.071 1 244 56 56 VAL N N 127.306 0.030 1 245 57 57 ASP H H 8.816 0.007 1 246 57 57 ASP C C 178.501 0.018 1 247 57 57 ASP CA C 51.104 0.070 1 248 57 57 ASP CB C 41.189 0.000 1 249 57 57 ASP N N 127.338 0.031 1 250 58 58 LEU H H 8.664 0.003 1 251 58 58 LEU C C 178.876 0.003 1 252 58 58 LEU CA C 55.413 0.063 1 253 58 58 LEU CB C 40.844 0.014 1 254 58 58 LEU N N 125.822 0.029 1 255 59 59 LEU H H 8.276 0.004 1 256 59 59 LEU C C 180.331 0.013 1 257 59 59 LEU CA C 54.917 0.061 1 258 59 59 LEU CB C 39.793 0.086 1 259 59 59 LEU N N 116.342 0.042 1 260 60 60 SER H H 7.618 0.004 1 261 60 60 SER C C 177.284 0.003 1 262 60 60 SER CA C 56.323 0.074 1 263 60 60 SER CB C 63.812 0.000 1 264 60 60 SER N N 112.016 0.017 1 265 61 61 ARG H H 8.378 0.004 1 266 61 61 ARG C C 176.548 0.009 1 267 61 61 ARG CA C 57.199 0.072 1 268 61 61 ARG CB C 27.112 0.066 1 269 61 61 ARG N N 117.794 0.041 1 270 62 62 GLU H H 7.746 0.004 1 271 62 62 GLU C C 176.233 0.007 1 272 62 62 GLU CA C 54.430 0.045 1 273 62 62 GLU CB C 30.148 0.098 1 274 62 62 GLU N N 118.231 0.014 1 275 63 63 ARG H H 7.993 0.002 1 276 63 63 ARG C C 178.182 0.001 1 277 63 63 ARG CA C 52.141 0.037 1 278 63 63 ARG CB C 31.333 0.093 1 279 63 63 ARG N N 116.711 0.029 1 280 64 64 TYR H H 8.734 0.006 1 281 64 64 TYR C C 177.903 0.012 1 282 64 64 TYR CA C 55.812 0.057 1 283 64 64 TYR CB C 41.335 0.000 1 284 64 64 TYR N N 119.316 0.015 1 285 65 65 SER H H 8.822 0.005 1 286 65 65 SER C C 175.849 0.021 1 287 65 65 SER CA C 55.850 0.056 1 288 65 65 SER CB C 62.245 0.000 1 289 65 65 SER N N 118.267 0.020 1 290 66 66 VAL H H 9.008 0.003 1 291 66 66 VAL C C 179.425 0.000 1 292 66 66 VAL CA C 66.589 0.057 1 293 66 66 VAL CB C 30.196 0.098 1 294 66 66 VAL N N 121.308 0.029 1 295 67 67 HIS H H 8.690 0.003 1 296 67 67 HIS C C 180.930 0.001 1 297 67 67 HIS CA C 59.898 0.047 1 298 67 67 HIS CB C 28.868 0.000 1 299 67 67 HIS N N 115.933 0.016 1 300 68 68 LYS H H 7.580 0.004 1 301 68 68 LYS C C 180.603 0.003 1 302 68 68 LYS CA C 56.430 0.064 1 303 68 68 LYS CB C 30.005 0.000 1 304 68 68 LYS N N 119.991 0.033 1 305 69 69 ALA H H 9.253 0.005 1 306 69 69 ALA C C 181.664 0.011 1 307 69 69 ALA CA C 53.280 0.056 1 308 69 69 ALA CB C 16.379 0.000 1 309 69 69 ALA N N 121.911 0.019 1 310 70 70 MET H H 8.127 0.005 1 311 70 70 MET C C 181.700 0.023 1 312 70 70 MET CA C 57.709 0.053 1 313 70 70 MET CB C 31.092 0.058 1 314 70 70 MET N N 118.595 0.019 1 315 71 71 GLU H H 7.755 0.004 1 316 71 71 GLU C C 180.293 0.009 1 317 71 71 GLU CA C 57.830 0.070 1 318 71 71 GLU CB C 28.127 0.000 1 319 71 71 GLU N N 121.755 0.025 1 320 72 72 ARG H H 7.637 0.004 1 321 72 72 ARG C C 178.299 0.008 1 322 72 72 ARG CA C 54.361 0.065 1 323 72 72 ARG CB C 29.409 0.093 1 324 72 72 ARG N N 114.622 0.021 1 325 73 73 GLY H H 7.750 0.004 1 326 73 73 GLY C C 176.913 0.014 1 327 73 73 GLY CA C 44.430 0.070 1 328 73 73 GLY N N 107.905 0.016 1 329 74 74 LEU H H 8.176 0.005 1 330 74 74 LEU C C 178.057 0.008 1 331 74 74 LEU CA C 54.606 0.056 1 332 74 74 LEU CB C 42.079 0.082 1 333 74 74 LEU N N 117.443 0.014 1 334 75 75 ILE H H 6.859 0.005 1 335 75 75 ILE C C 176.804 0.001 1 336 75 75 ILE CA C 56.867 0.066 1 337 75 75 ILE CB C 40.350 0.074 1 338 75 75 ILE N N 105.218 0.009 1 339 76 76 GLU H H 9.121 0.002 1 340 76 76 GLU C C 178.894 0.000 1 341 76 76 GLU CA C 53.726 0.009 1 342 76 76 GLU CB C 29.180 0.086 1 343 76 76 GLU N N 120.187 0.022 1 344 78 78 THR H H 7.532 0.006 1 345 78 78 THR C C 177.036 0.000 1 346 78 78 THR CA C 60.198 0.045 1 347 78 78 THR CB C 68.212 0.046 1 348 78 78 THR N N 110.513 0.139 1 349 79 79 SER H H 8.441 0.004 1 350 79 79 SER C C 177.267 0.000 1 351 79 79 SER CA C 56.956 0.028 1 352 79 79 SER CB C 61.004 0.000 1 353 79 79 SER N N 116.697 0.044 1 354 80 80 THR H H 7.825 0.006 1 355 80 80 THR CA C 64.369 0.033 1 356 80 80 THR CB C 67.329 0.000 1 357 80 80 THR N N 115.457 0.067 1 358 81 81 GLN C C 180.752 0.000 1 359 82 82 ARG H H 8.128 0.006 1 360 82 82 ARG C C 182.347 0.001 1 361 82 82 ARG CA C 57.699 0.075 1 362 82 82 ARG CB C 28.424 0.000 1 363 82 82 ARG N N 117.897 0.053 1 364 83 83 LEU H H 7.865 0.004 1 365 83 83 LEU C C 180.490 0.007 1 366 83 83 LEU CA C 56.193 0.062 1 367 83 83 LEU CB C 40.479 0.064 1 368 83 83 LEU N N 119.793 0.020 1 369 84 84 LEU H H 8.618 0.005 1 370 84 84 LEU C C 182.410 0.004 1 371 84 84 LEU CA C 56.178 0.018 1 372 84 84 LEU CB C 39.365 0.001 1 373 84 84 LEU N N 120.509 0.031 1 374 85 85 ASN H H 8.067 0.003 1 375 85 85 ASN C C 179.470 0.008 1 376 85 85 ASN CA C 54.737 0.074 1 377 85 85 ASN CB C 36.022 0.093 1 378 85 85 ASN N N 119.405 0.025 1 379 86 86 ALA H H 7.635 0.004 1 380 86 86 ALA C C 180.880 0.016 1 381 86 86 ALA CA C 53.181 0.060 1 382 86 86 ALA CB C 16.918 0.000 1 383 86 86 ALA N N 123.634 0.012 1 384 87 87 GLN H H 8.205 0.005 1 385 87 87 GLN C C 180.080 0.014 1 386 87 87 GLN CA C 56.884 0.072 1 387 87 87 GLN N N 117.054 0.024 1 388 88 88 LYS H H 7.596 0.005 1 389 88 88 LYS C C 180.011 0.073 1 390 88 88 LYS CA C 57.357 0.005 1 391 88 88 LYS CB C 30.528 0.004 1 392 88 88 LYS N N 119.726 0.030 1 393 89 89 ALA H H 7.564 0.005 1 394 89 89 ALA C C 180.157 0.000 1 395 89 89 ALA CA C 52.408 0.050 1 396 89 89 ALA CB C 15.854 0.000 1 397 89 89 ALA N N 117.714 0.014 1 398 90 90 PHE H H 7.789 0.007 1 399 90 90 PHE C C 177.055 0.007 1 400 90 90 PHE CA C 57.857 0.067 1 401 90 90 PHE CB C 38.485 0.000 1 402 90 90 PHE N N 118.593 0.017 1 403 91 91 THR H H 8.324 0.006 1 404 91 91 THR C C 179.469 0.003 1 405 91 91 THR CA C 61.749 0.067 1 406 91 91 THR CB C 68.823 0.000 1 407 91 91 THR N N 106.467 0.017 1 408 92 92 GLY H H 8.386 0.006 1 409 92 92 GLY C C 179.542 0.000 1 410 92 92 GLY CA C 43.352 0.065 1 411 92 92 GLY N N 110.269 0.035 1 412 93 93 ILE H H 8.728 0.005 1 413 93 93 ILE C C 176.426 0.012 1 414 93 93 ILE CA C 57.572 0.068 1 415 93 93 ILE CB C 40.173 0.072 1 416 93 93 ILE N N 114.620 0.025 1 417 94 94 GLU H H 8.648 0.004 1 418 94 94 GLU C C 177.435 0.007 1 419 94 94 GLU CA C 54.301 0.057 1 420 94 94 GLU CB C 29.610 0.000 1 421 94 94 GLU N N 124.386 0.020 1 422 95 95 ASP H H 8.821 0.004 1 423 95 95 ASP C C 177.836 0.000 1 424 95 95 ASP CA C 50.010 0.000 1 425 95 95 ASP CB C 41.488 0.000 1 426 95 95 ASP N N 127.974 0.011 1 427 96 96 PRO C C 179.340 0.000 1 428 96 96 PRO CA C 62.690 0.000 1 429 96 96 PRO CB C 30.666 0.000 1 430 97 97 VAL H H 8.452 0.003 1 431 97 97 VAL C C 179.869 0.000 1 432 97 97 VAL CA C 63.434 0.070 1 433 97 97 VAL N N 118.306 0.028 1 434 98 98 THR H H 8.002 0.005 1 435 98 98 THR C C 178.050 0.005 1 436 98 98 THR CA C 60.898 0.061 1 437 98 98 THR CB C 69.122 0.061 1 438 98 98 THR N N 108.694 0.007 1 439 99 99 LYS H H 8.252 0.004 1 440 99 99 LYS C C 177.353 0.013 1 441 99 99 LYS CA C 55.768 0.069 1 442 99 99 LYS CB C 27.153 0.094 1 443 99 99 LYS N N 114.991 0.019 1 444 100 100 LYS H H 7.580 0.003 1 445 100 100 LYS C C 177.689 0.009 1 446 100 100 LYS CA C 54.255 0.062 1 447 100 100 LYS CB C 31.868 0.000 1 448 100 100 LYS N N 119.182 0.011 1 449 101 101 ARG H H 8.482 0.003 1 450 101 101 ARG C C 177.221 0.006 1 451 101 101 ARG CA C 53.802 0.022 1 452 101 101 ARG CB C 28.440 0.007 1 453 101 101 ARG N N 121.557 0.011 1 454 102 102 LEU H H 9.186 0.004 1 455 102 102 LEU C C 178.879 0.007 1 456 102 102 LEU CA C 52.069 0.039 1 457 102 102 LEU CB C 42.649 0.086 1 458 102 102 LEU N N 125.360 0.016 1 459 103 103 SER H H 8.509 0.005 1 460 103 103 SER C C 178.213 0.007 1 461 103 103 SER CA C 56.607 0.070 1 462 103 103 SER CB C 62.862 0.000 1 463 103 103 SER N N 116.071 0.011 1 464 104 104 VAL H H 9.586 0.004 1 465 104 104 VAL C C 180.181 0.010 1 466 104 104 VAL CA C 64.077 0.070 1 467 104 104 VAL CB C 29.198 0.000 1 468 104 104 VAL N N 116.142 0.035 1 469 105 105 GLY H H 9.105 0.005 1 470 105 105 GLY C C 179.685 0.007 1 471 105 105 GLY CA C 45.800 0.052 1 472 105 105 GLY N N 110.091 0.024 1 473 106 106 GLU H H 7.447 0.006 1 474 106 106 GLU C C 180.361 0.010 1 475 106 106 GLU CA C 57.599 0.063 1 476 106 106 GLU CB C 29.285 0.081 1 477 106 106 GLU N N 123.284 0.024 1 478 107 107 ALA H H 8.127 0.007 1 479 107 107 ALA C C 181.920 0.009 1 480 107 107 ALA CA C 53.571 0.063 1 481 107 107 ALA CB C 16.795 0.000 1 482 107 107 ALA N N 122.295 0.022 1 483 108 108 VAL H H 8.333 0.005 1 484 108 108 VAL C C 182.292 0.004 1 485 108 108 VAL CA C 63.590 0.054 1 486 108 108 VAL CB C 30.155 0.096 1 487 108 108 VAL N N 118.414 0.011 1 488 109 109 GLN H H 7.293 0.005 1 489 109 109 GLN C C 179.772 0.006 1 490 109 109 GLN CA C 57.552 0.071 1 491 109 109 GLN CB C 28.181 0.095 1 492 109 109 GLN N N 120.702 0.018 1 493 110 110 LYS H H 7.418 0.005 1 494 110 110 LYS C C 178.176 0.011 1 495 110 110 LYS CA C 54.676 0.070 1 496 110 110 LYS CB C 30.570 0.000 1 497 110 110 LYS N N 115.407 0.024 1 498 111 111 GLY H H 7.622 0.006 1 499 111 111 GLY C C 178.184 0.000 1 500 111 111 GLY CA C 43.547 0.008 1 501 111 111 GLY N N 105.702 0.025 1 502 112 112 TRP H H 7.977 0.005 1 503 112 112 TRP C C 178.178 0.004 1 504 112 112 TRP CA C 54.605 0.061 1 505 112 112 TRP CB C 28.291 0.000 1 506 112 112 TRP N N 118.760 0.017 1 507 113 113 MET H H 7.054 0.005 1 508 113 113 MET C C 174.806 0.000 1 509 113 113 MET CA C 51.224 0.005 1 510 113 113 MET CB C 34.669 0.000 1 511 113 113 MET N N 114.459 0.013 1 512 114 114 PRO C C 180.575 0.000 1 513 114 114 PRO CA C 60.357 0.063 1 514 114 114 PRO CB C 30.777 0.000 1 515 115 115 ARG H H 9.283 0.005 1 516 115 115 ARG C C 179.867 0.000 1 517 115 115 ARG CA C 58.470 0.056 1 518 115 115 ARG CB C 28.709 0.000 1 519 115 115 ARG N N 124.935 0.021 1 520 116 116 GLU H H 9.709 0.005 1 521 116 116 GLU C C 179.683 0.012 1 522 116 116 GLU CA C 58.012 0.002 1 523 116 116 GLU CB C 26.709 0.011 1 524 116 116 GLU N N 117.187 0.017 1 525 117 117 SER H H 7.340 0.004 1 526 117 117 SER C C 176.676 0.009 1 527 117 117 SER CA C 58.218 0.069 1 528 117 117 SER CB C 61.710 0.000 1 529 117 117 SER N N 111.613 0.017 1 530 118 118 VAL H H 7.116 0.004 1 531 118 118 VAL C C 178.935 0.018 1 532 118 118 VAL CA C 60.179 0.055 1 533 118 118 VAL CB C 32.266 0.094 1 534 118 118 VAL N N 112.745 0.020 1 535 119 119 LEU H H 7.962 0.007 1 536 119 119 LEU C C 175.638 0.000 1 537 119 119 LEU CA C 58.592 0.035 1 538 119 119 LEU CB C 37.900 0.000 1 539 119 119 LEU N N 123.192 0.028 1 540 120 120 PRO C C 180.663 0.000 1 541 120 120 PRO CA C 63.644 0.000 1 542 120 120 PRO CB C 29.085 0.000 1 543 121 121 HIS H H 6.525 0.005 1 544 121 121 HIS C C 179.725 0.000 1 545 121 121 HIS CA C 54.872 0.049 1 546 121 121 HIS CB C 29.581 0.000 1 547 121 121 HIS N N 117.345 0.025 1 548 122 122 LEU H H 7.827 0.006 1 549 122 122 LEU C C 181.080 0.000 1 550 122 122 LEU CA C 55.756 0.077 1 551 122 122 LEU CB C 40.732 0.080 1 552 122 122 LEU N N 117.816 0.041 1 553 123 123 GLN H H 8.416 0.006 1 554 123 123 GLN C C 180.006 0.000 1 555 123 123 GLN CA C 57.871 0.066 1 556 123 123 GLN CB C 26.132 0.091 1 557 123 123 GLN N N 118.722 0.014 1 558 124 124 VAL H H 7.178 0.005 1 559 124 124 VAL C C 181.152 0.000 1 560 124 124 VAL CA C 64.605 0.055 1 561 124 124 VAL CB C 29.151 0.084 1 562 124 124 VAL N N 114.477 0.026 1 563 125 125 GLN H H 7.595 0.005 1 564 125 125 GLN C C 180.185 0.000 1 565 125 125 GLN CA C 58.325 0.059 1 566 125 125 GLN CB C 24.514 0.065 1 567 125 125 GLN N N 120.641 0.019 1 568 126 126 HIS H H 8.568 0.005 1 569 126 126 HIS C C 179.929 0.001 1 570 126 126 HIS CA C 59.410 0.074 1 571 126 126 HIS CB C 29.357 0.080 1 572 126 126 HIS N N 121.324 0.028 1 573 127 127 LEU H H 8.411 0.007 1 574 127 127 LEU C C 179.582 0.005 1 575 127 127 LEU CA C 55.170 0.068 1 576 127 127 LEU CB C 41.122 0.077 1 577 127 127 LEU N N 116.593 0.033 1 578 128 128 THR H H 7.517 0.005 1 579 128 128 THR C C 175.419 0.000 1 580 128 128 THR CA C 58.831 0.058 1 581 128 128 THR CB C 67.835 0.085 1 582 128 128 THR N N 105.597 0.018 1 583 129 129 GLY H H 7.102 0.005 1 584 129 129 GLY C C 175.997 0.000 1 585 129 129 GLY CA C 43.937 0.060 1 586 129 129 GLY N N 104.991 0.037 1 587 130 130 GLY H H 8.236 0.005 1 588 130 130 GLY C C 174.507 0.000 1 589 130 130 GLY CA C 42.136 0.065 1 590 130 130 GLY N N 107.541 0.027 1 591 131 131 LEU H H 8.957 0.005 1 592 131 131 LEU C C 178.314 0.007 1 593 131 131 LEU CA C 53.870 0.063 1 594 131 131 LEU CB C 39.780 0.089 1 595 131 131 LEU N N 118.710 0.018 1 596 132 132 ILE H H 7.237 0.005 1 597 132 132 ILE C C 177.162 0.011 1 598 132 132 ILE CA C 59.140 0.076 1 599 132 132 ILE CB C 37.869 0.084 1 600 132 132 ILE N N 118.939 0.037 1 601 133 133 ASP H H 9.543 0.003 1 602 133 133 ASP C C 177.335 0.000 1 603 133 133 ASP CA C 48.068 0.006 1 604 133 133 ASP CB C 41.606 0.000 1 605 133 133 ASP N N 130.121 0.011 1 606 134 134 PRO C C 178.902 0.000 1 607 134 134 PRO CA C 62.260 0.091 1 608 134 134 PRO CB C 30.772 0.000 1 609 135 135 LYS H H 8.153 0.005 1 610 135 135 LYS C C 178.306 0.007 1 611 135 135 LYS CA C 55.239 0.055 1 612 135 135 LYS CB C 26.885 0.086 1 613 135 135 LYS N N 115.392 0.018 1 614 136 136 ARG H H 8.073 0.005 1 615 136 136 ARG C C 177.123 0.008 1 616 136 136 ARG CA C 53.260 0.050 1 617 136 136 ARG CB C 32.171 0.076 1 618 136 136 ARG N N 118.659 0.015 1 619 137 137 THR H H 8.218 0.004 1 620 137 137 THR C C 177.054 0.000 1 621 137 137 THR CA C 60.783 0.064 1 622 137 137 THR CB C 68.186 0.073 1 623 137 137 THR N N 114.448 0.012 1 624 138 138 GLY H H 8.308 0.004 1 625 138 138 GLY C C 175.554 0.000 1 626 138 138 GLY CA C 42.687 0.061 1 627 138 138 GLY N N 110.751 0.015 1 628 139 139 ARG H H 8.460 0.002 1 629 139 139 ARG C C 178.611 0.000 1 630 139 139 ARG CA C 51.398 0.053 1 631 139 139 ARG CB C 30.691 0.000 1 632 139 139 ARG N N 118.361 0.024 1 633 140 140 ILE H H 9.511 0.005 1 634 140 140 ILE C C 175.598 0.000 1 635 140 140 ILE CA C 55.599 0.023 1 636 140 140 ILE CB C 37.476 0.000 1 637 140 140 ILE N N 122.468 0.017 1 638 141 141 PRO C C 180.223 0.000 1 639 141 141 PRO CA C 60.959 0.076 1 640 141 141 PRO CB C 31.086 0.142 1 641 142 142 ILE H H 8.952 0.005 1 642 142 142 ILE C C 178.871 0.000 1 643 142 142 ILE CB C 36.370 0.086 1 644 142 142 ILE N N 120.677 0.034 1 645 143 143 GLN H H 9.039 0.004 1 646 143 143 GLN C C 180.632 0.006 1 647 143 143 GLN CA C 58.090 0.053 1 648 143 143 GLN CB C 26.124 0.067 1 649 143 143 GLN N N 117.205 0.020 1 650 144 144 GLN H H 7.097 0.005 1 651 144 144 GLN C C 180.485 0.004 1 652 144 144 GLN CA C 56.451 0.059 1 653 144 144 GLN CB C 26.617 0.039 1 654 144 144 GLN N N 117.729 0.013 1 655 145 145 ALA H H 8.553 0.005 1 656 145 145 ALA C C 180.899 0.020 1 657 145 145 ALA CA C 53.228 0.058 1 658 145 145 ALA CB C 16.907 0.000 1 659 145 145 ALA N N 125.860 0.014 1 660 146 146 LEU H H 8.286 0.005 1 661 146 146 LEU C C 182.198 0.008 1 662 146 146 LEU CA C 56.070 0.054 1 663 146 146 LEU CB C 40.664 0.081 1 664 146 146 LEU N N 120.133 0.030 1 665 147 147 LEU H H 7.773 0.005 1 666 147 147 LEU C C 180.899 0.008 1 667 147 147 LEU CA C 56.183 0.007 1 668 147 147 LEU CB C 40.341 0.014 1 669 147 147 LEU N N 120.555 0.017 1 670 148 148 SER H H 7.899 0.005 1 671 148 148 SER C C 177.023 0.002 1 672 148 148 SER CA C 57.089 0.067 1 673 148 148 SER CB C 62.135 0.000 1 674 148 148 SER N N 110.342 0.018 1 675 149 149 GLY H H 7.783 0.005 1 676 149 149 GLY C C 176.596 0.016 1 677 149 149 GLY CA C 44.021 0.055 1 678 149 149 GLY N N 110.001 0.024 1 679 150 150 MET H H 8.272 0.005 1 680 150 150 MET C C 176.403 0.014 1 681 150 150 MET CA C 56.993 0.016 1 682 150 150 MET CB C 32.885 0.014 1 683 150 150 MET N N 120.647 0.019 1 684 151 151 ILE H H 6.683 0.006 1 685 151 151 ILE C C 175.357 0.005 1 686 151 151 ILE CA C 56.232 0.069 1 687 151 151 ILE CB C 40.510 0.064 1 688 151 151 ILE N N 102.175 0.011 1 689 152 152 SER H H 7.078 0.004 1 690 152 152 SER C C 176.865 0.018 1 691 152 152 SER CA C 54.022 0.057 1 692 152 152 SER CB C 63.828 0.000 1 693 152 152 SER N N 113.734 0.017 1 694 153 153 GLU H H 9.033 0.004 1 695 153 153 GLU C C 180.649 0.010 1 696 153 153 GLU CA C 58.512 0.056 1 697 153 153 GLU CB C 27.556 0.000 1 698 153 153 GLU N N 121.515 0.013 1 699 154 154 GLU H H 8.531 0.005 1 700 154 154 GLU C C 180.927 0.005 1 701 154 154 GLU CA C 57.972 0.069 1 702 154 154 GLU CB C 27.749 0.049 1 703 154 154 GLU N N 118.461 0.011 1 704 155 155 LEU H H 7.571 0.002 1 705 155 155 LEU C C 180.178 0.020 1 706 155 155 LEU CA C 56.044 0.063 1 707 155 155 LEU CB C 40.402 0.056 1 708 155 155 LEU N N 119.133 0.024 1 709 156 156 ALA H H 8.443 0.004 1 710 156 156 ALA C C 181.328 0.019 1 711 156 156 ALA CA C 54.316 0.032 1 712 156 156 ALA CB C 16.546 0.000 1 713 156 156 ALA N N 120.639 0.016 1 714 157 157 GLN H H 8.001 0.005 1 715 157 157 GLN C C 180.977 0.004 1 716 157 157 GLN CA C 57.362 0.060 1 717 157 157 GLN CB C 26.414 0.077 1 718 157 157 GLN N N 116.586 0.019 1 719 158 158 LEU H H 7.496 0.007 1 720 158 158 LEU C C 181.943 0.002 1 721 158 158 LEU CA C 55.957 0.059 1 722 158 158 LEU CB C 40.838 0.066 1 723 158 158 LEU N N 119.058 0.015 1 724 159 159 LEU H H 8.113 0.004 1 725 159 159 LEU C C 180.238 0.005 1 726 159 159 LEU CA C 55.329 0.072 1 727 159 159 LEU CB C 40.767 0.103 1 728 159 159 LEU N N 116.834 0.015 1 729 160 160 GLN H H 7.686 0.003 1 730 160 160 GLN C C 177.749 0.002 1 731 160 160 GLN CA C 55.410 0.074 1 732 160 160 GLN CB C 28.245 0.099 1 733 160 160 GLN N N 114.905 0.013 1 734 161 161 ASP H H 7.291 0.006 1 735 161 161 ASP C C 178.384 0.008 1 736 161 161 ASP CA C 50.703 0.066 1 737 161 161 ASP CB C 37.864 0.094 1 738 161 161 ASP N N 118.679 0.023 1 739 162 162 GLU H H 8.282 0.005 1 740 162 162 GLU C C 180.583 0.000 1 741 162 162 GLU CA C 56.594 0.076 1 742 162 162 GLU CB C 27.568 0.000 1 743 162 162 GLU N N 125.350 0.010 1 744 163 163 SER H H 8.366 0.005 1 745 163 163 SER C C 177.388 0.008 1 746 163 163 SER CA C 59.075 0.064 1 747 163 163 SER CB C 60.736 0.000 1 748 163 163 SER N N 114.635 0.014 1 749 164 164 SER H H 7.728 0.005 1 750 164 164 SER C C 176.586 0.009 1 751 164 164 SER CA C 56.844 0.071 1 752 164 164 SER CB C 62.096 0.000 1 753 164 164 SER N N 116.333 0.017 1 754 165 165 TYR H H 7.304 0.004 1 755 165 165 TYR C C 177.995 0.008 1 756 165 165 TYR CA C 54.283 0.061 1 757 165 165 TYR CB C 34.303 0.000 1 758 165 165 TYR N N 123.564 0.013 1 759 166 166 GLU H H 9.057 0.004 1 760 166 166 GLU C C 178.567 0.007 1 761 166 166 GLU CA C 55.714 0.070 1 762 166 166 GLU CB C 28.528 0.097 1 763 166 166 GLU N N 124.415 0.010 1 764 167 167 LYS H H 8.649 0.002 1 765 167 167 LYS C C 178.553 0.000 1 766 167 167 LYS CA C 52.689 0.042 1 767 167 167 LYS CB C 28.581 0.131 1 768 167 167 LYS N N 124.253 0.016 1 769 168 168 ASP H H 8.013 0.004 1 770 168 168 ASP C C 177.466 0.027 1 771 168 168 ASP CA C 51.283 0.009 1 772 168 168 ASP CB C 39.061 0.004 1 773 168 168 ASP N N 119.985 0.013 1 774 169 169 LEU H H 8.516 0.004 1 775 169 169 LEU C C 178.259 0.011 1 776 169 169 LEU CA C 51.860 0.055 1 777 169 169 LEU CB C 41.163 0.079 1 778 169 169 LEU N N 119.711 0.008 1 779 170 170 THR H H 8.376 0.005 1 780 170 170 THR C C 176.135 0.004 1 781 170 170 THR CA C 60.521 0.071 1 782 170 170 THR CB C 67.873 0.093 1 783 170 170 THR N N 119.344 0.020 1 784 171 171 ASP H H 8.978 0.004 1 785 171 171 ASP C C 177.735 0.000 1 786 171 171 ASP CA C 50.517 0.010 1 787 171 171 ASP CB C 40.905 0.000 1 788 171 171 ASP N N 128.896 0.028 1 789 172 172 PRO C C 179.710 0.000 1 790 172 172 PRO CA C 63.177 0.000 1 791 172 172 PRO CB C 31.281 0.000 1 792 173 173 ILE H H 8.190 0.006 1 793 173 173 ILE C C 179.396 0.025 1 794 173 173 ILE CA C 61.350 0.069 1 795 173 173 ILE CB C 35.319 0.022 1 796 173 173 ILE N N 116.379 0.020 1 797 174 174 SER H H 7.963 0.006 1 798 174 174 SER C C 177.859 0.000 1 799 174 174 SER CA C 57.997 0.062 1 800 174 174 SER CB C 63.102 0.058 1 801 174 174 SER N N 113.703 0.025 1 802 175 175 LYS H H 8.135 0.013 1 803 175 175 LYS C C 177.491 0.000 1 804 175 175 LYS CA C 55.205 0.013 1 805 175 175 LYS CB C 26.905 0.000 1 806 175 175 LYS N N 115.382 0.023 1 807 176 176 GLU H H 7.802 0.004 1 808 176 176 GLU C C 177.609 0.021 1 809 176 176 GLU CA C 54.689 0.023 1 810 176 176 GLU CB C 29.980 0.006 1 811 176 176 GLU N N 119.413 0.008 1 812 177 177 ARG H H 8.384 0.003 1 813 177 177 ARG C C 177.852 0.014 1 814 177 177 ARG CA C 53.058 0.046 1 815 177 177 ARG CB C 27.803 0.000 1 816 177 177 ARG N N 120.885 0.010 1 817 178 178 LEU H H 9.069 0.003 1 818 178 178 LEU C C 178.441 0.009 1 819 178 178 LEU CA C 51.547 0.069 1 820 178 178 LEU CB C 45.062 0.069 1 821 178 178 LEU N N 122.651 0.026 1 822 179 179 SER H H 9.175 0.005 1 823 179 179 SER C C 178.055 0.013 1 824 179 179 SER CA C 54.652 0.056 1 825 179 179 SER CB C 64.476 0.000 1 826 179 179 SER N N 115.248 0.027 1 827 180 180 TYR H H 9.901 0.005 1 828 180 180 TYR C C 179.677 0.004 1 829 180 180 TYR CA C 61.397 0.062 1 830 180 180 TYR CB C 35.989 0.000 1 831 180 180 TYR N N 122.815 0.016 1 832 181 181 LYS H H 7.556 0.005 1 833 181 181 LYS C C 181.043 0.000 1 834 181 181 LYS CA C 58.054 0.058 1 835 181 181 LYS CB C 31.302 0.000 1 836 181 181 LYS N N 115.220 0.016 1 837 182 182 GLU H H 7.534 0.005 1 838 182 182 GLU C C 181.851 0.001 1 839 182 182 GLU CA C 57.043 0.055 1 840 182 182 GLU CB C 29.358 0.000 1 841 182 182 GLU N N 119.478 0.015 1 842 183 183 ALA H H 8.682 0.005 1 843 183 183 ALA C C 181.873 0.021 1 844 183 183 ALA CA C 53.710 0.021 1 845 183 183 ALA CB C 15.305 0.003 1 846 183 183 ALA N N 121.644 0.014 1 847 184 184 MET H H 8.251 0.005 1 848 184 184 MET C C 181.269 0.000 1 849 184 184 MET CA C 59.281 0.050 1 850 184 184 MET CB C 32.038 0.085 1 851 184 184 MET N N 117.934 0.013 1 852 185 185 GLY H H 7.484 0.005 1 853 185 185 GLY C C 176.445 0.015 1 854 185 185 GLY CA C 44.808 0.063 1 855 185 185 GLY N N 104.534 0.026 1 856 186 186 ARG H H 7.312 0.005 1 857 186 186 ARG C C 178.593 0.016 1 858 186 186 ARG CA C 53.746 0.061 1 859 186 186 ARG CB C 28.673 0.000 1 860 186 186 ARG N N 117.742 0.022 1 861 187 187 CYS H H 7.054 0.005 1 862 187 187 CYS C C 176.905 0.005 1 863 187 187 CYS CA C 60.393 0.062 1 864 187 187 CYS CB C 27.882 0.000 1 865 187 187 CYS N N 114.946 0.017 1 866 188 188 ARG H H 8.923 0.005 1 867 188 188 ARG C C 176.942 0.029 1 868 188 188 ARG CA C 52.271 0.061 1 869 188 188 ARG CB C 30.846 0.086 1 870 188 188 ARG N N 120.323 0.013 1 871 189 189 LYS H H 8.616 0.004 1 872 189 189 LYS C C 178.517 0.001 1 873 189 189 LYS CA C 53.427 0.069 1 874 189 189 LYS CB C 31.002 0.000 1 875 189 189 LYS N N 124.071 0.012 1 876 190 190 ASP H H 9.039 0.003 1 877 190 190 ASP C C 177.945 0.000 1 878 190 190 ASP CA C 50.524 0.015 1 879 190 190 ASP CB C 40.662 0.000 1 880 190 190 ASP N N 128.997 0.017 1 881 191 191 PRO C C 179.565 0.000 1 882 191 191 PRO CA C 63.451 0.000 1 883 191 191 PRO CB C 30.715 0.000 1 884 192 192 LEU H H 7.943 0.003 1 885 192 192 LEU C C 180.042 0.004 1 886 192 192 LEU CA C 54.915 0.054 1 887 192 192 LEU CB C 40.339 0.074 1 888 192 192 LEU N N 116.170 0.011 1 889 193 193 SER H H 7.826 0.004 1 890 193 193 SER C C 177.504 0.006 1 891 193 193 SER CA C 57.315 0.070 1 892 193 193 SER CB C 63.737 0.000 1 893 193 193 SER N N 111.633 0.020 1 894 194 194 GLY H H 8.357 0.005 1 895 194 194 GLY C C 175.345 0.016 1 896 194 194 GLY CA C 44.214 0.051 1 897 194 194 GLY N N 111.944 0.029 1 898 195 195 LEU H H 7.527 0.004 1 899 195 195 LEU C C 177.907 0.065 1 900 195 195 LEU CA C 52.806 0.051 1 901 195 195 LEU CB C 40.852 0.055 1 902 195 195 LEU N N 119.017 0.028 1 903 196 196 LEU H H 9.412 0.003 1 904 196 196 LEU C C 178.872 0.005 1 905 196 196 LEU CA C 52.916 0.033 1 906 196 196 LEU CB C 41.760 0.021 1 907 196 196 LEU N N 120.697 0.019 1 908 197 197 LEU H H 8.925 0.005 1 909 197 197 LEU C C 176.995 0.007 1 910 197 197 LEU CA C 50.370 0.079 1 911 197 197 LEU CB C 44.113 0.096 1 912 197 197 LEU N N 122.151 0.023 1 913 198 198 LEU H H 8.684 0.005 1 914 198 198 LEU C C 176.908 0.000 1 915 198 198 LEU CA C 51.090 0.022 1 916 198 198 LEU CB C 42.244 0.000 1 917 198 198 LEU N N 128.353 0.023 1 918 199 199 PRO C C 176.854 0.000 1 919 199 199 PRO CA C 62.013 0.090 1 920 199 199 PRO CB C 30.753 0.107 1 921 200 200 ALA H H 9.109 0.004 1 922 200 200 ALA C C 176.306 0.009 1 923 200 200 ALA CA C 49.363 0.078 1 924 200 200 ALA CB C 21.754 0.079 1 925 200 200 ALA N N 122.637 0.029 1 926 201 201 ALA H H 7.830 0.004 1 927 201 201 ALA C C 182.793 0.000 1 928 201 201 ALA CA C 52.088 0.021 1 929 201 201 ALA CB C 19.865 0.000 1 930 201 201 ALA N N 128.223 0.019 1 stop_ save_