data_27705 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Guanylate Cyclase Activating Protein-5 (GCAP5) in Zebrafish Photoreceptors ; _BMRB_accession_number 27705 _BMRB_flat_file_name bmr27705.str _Entry_type original _Submission_date 2018-11-26 _Accession_date 2018-11-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cudia Diana L. . 2 Ames James B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 654 "13C chemical shifts" 579 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-17 update BMRB 'update entry citation' 2019-02-08 update author 'update entry citation, etc.' 2019-01-08 original author 'original release' stop_ _Original_release_date 2018-11-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Retinal degeneration 3 (RD3) protein, a retinal guanylyl cyclase regulator, forms a monomeric and elongated four helix bundle ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30559291 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peshenko Igor V. . 2 Yu Qinhong . . 3 Lim Sunghyuk . . 4 Cudia Diana . . 5 Dizhoor Alexander M. . 6 Ames James B. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 94 _Journal_issue 7 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2318 _Page_last 2328 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GCAP5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GCAP5 $GCAP5 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GCAP5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GCAP5 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 198 _Mol_residue_sequence ; MGDSSSMSATELSACKCHQW YRKFMTECPSGQLTFYEFKK FFGLKNLSEKSNAYVNTMFK TFDIDDDGCIDFMEYVAALS LVLKGGVQQKLRWYFKLFDM DGSGCIDKDELLLIFKAVQA INGAEPEISAEDLADIVFNK IDVNGDGELSLEEFMEGISA DEKISEMLTQSLDLTRIVSN IYNDSYIEQEAEIIEDQA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 ASP 4 4 SER 5 5 SER 6 6 SER 7 7 MET 8 8 SER 9 9 ALA 10 10 THR 11 11 GLU 12 12 LEU 13 13 SER 14 14 ALA 15 15 CYS 16 16 LYS 17 17 CYS 18 18 HIS 19 19 GLN 20 20 TRP 21 21 TYR 22 22 ARG 23 23 LYS 24 24 PHE 25 25 MET 26 26 THR 27 27 GLU 28 28 CYS 29 29 PRO 30 30 SER 31 31 GLY 32 32 GLN 33 33 LEU 34 34 THR 35 35 PHE 36 36 TYR 37 37 GLU 38 38 PHE 39 39 LYS 40 40 LYS 41 41 PHE 42 42 PHE 43 43 GLY 44 44 LEU 45 45 LYS 46 46 ASN 47 47 LEU 48 48 SER 49 49 GLU 50 50 LYS 51 51 SER 52 52 ASN 53 53 ALA 54 54 TYR 55 55 VAL 56 56 ASN 57 57 THR 58 58 MET 59 59 PHE 60 60 LYS 61 61 THR 62 62 PHE 63 63 ASP 64 64 ILE 65 65 ASP 66 66 ASP 67 67 ASP 68 68 GLY 69 69 CYS 70 70 ILE 71 71 ASP 72 72 PHE 73 73 MET 74 74 GLU 75 75 TYR 76 76 VAL 77 77 ALA 78 78 ALA 79 79 LEU 80 80 SER 81 81 LEU 82 82 VAL 83 83 LEU 84 84 LYS 85 85 GLY 86 86 GLY 87 87 VAL 88 88 GLN 89 89 GLN 90 90 LYS 91 91 LEU 92 92 ARG 93 93 TRP 94 94 TYR 95 95 PHE 96 96 LYS 97 97 LEU 98 98 PHE 99 99 ASP 100 100 MET 101 101 ASP 102 102 GLY 103 103 SER 104 104 GLY 105 105 CYS 106 106 ILE 107 107 ASP 108 108 LYS 109 109 ASP 110 110 GLU 111 111 LEU 112 112 LEU 113 113 LEU 114 114 ILE 115 115 PHE 116 116 LYS 117 117 ALA 118 118 VAL 119 119 GLN 120 120 ALA 121 121 ILE 122 122 ASN 123 123 GLY 124 124 ALA 125 125 GLU 126 126 PRO 127 127 GLU 128 128 ILE 129 129 SER 130 130 ALA 131 131 GLU 132 132 ASP 133 133 LEU 134 134 ALA 135 135 ASP 136 136 ILE 137 137 VAL 138 138 PHE 139 139 ASN 140 140 LYS 141 141 ILE 142 142 ASP 143 143 VAL 144 144 ASN 145 145 GLY 146 146 ASP 147 147 GLY 148 148 GLU 149 149 LEU 150 150 SER 151 151 LEU 152 152 GLU 153 153 GLU 154 154 PHE 155 155 MET 156 156 GLU 157 157 GLY 158 158 ILE 159 159 SER 160 160 ALA 161 161 ASP 162 162 GLU 163 163 LYS 164 164 ILE 165 165 SER 166 166 GLU 167 167 MET 168 168 LEU 169 169 THR 170 170 GLN 171 171 SER 172 172 LEU 173 173 ASP 174 174 LEU 175 175 THR 176 176 ARG 177 177 ILE 178 178 VAL 179 179 SER 180 180 ASN 181 181 ILE 182 182 TYR 183 183 ASN 184 184 ASP 185 185 SER 186 186 TYR 187 187 ILE 188 188 GLU 189 189 GLN 190 190 GLU 191 191 ALA 192 192 GLU 193 193 ILE 194 194 ILE 195 195 GLU 196 196 ASP 197 197 GLN 198 198 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 _Strain $GCAP5 'E. coli' 562 Bacteria . Escherichia coli BL21(DE3) 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 $GCAP5 'recombinant technology' . Escherichia coli . pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_GCAP5_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $GCAP5 500 mM . . '[U-100% 13C; U-100% 15N]' 'magnesium chloride' 5 mM . . '[U-100% 13C; U-100% 15N]' MES 5 mM . . 'natural abundance' DTT 3.5 mM 2 5 '[U-99% 2H]' 'sodium azide' 0.04 '% w/v' . . 'natural abundance' D2O 7.5 % . . '[U-99% 2H]' H2O 92.5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $GCAP5_sample save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $GCAP5_sample save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $GCAP5_sample save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $GCAP5_sample save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $GCAP5_sample save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $GCAP5_sample save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $GCAP5_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $GCAP5_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GCAP5 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY H H 8.482 0 1 2 2 2 GLY HA2 H 3.814 0.01 1 3 2 2 GLY HA3 H 3.578 0.01 2 4 2 2 GLY C C 173.869 0 1 5 2 2 GLY CA C 44.357 0.08 1 6 2 2 GLY N N 113.039 0.03 1 7 3 3 ASP H H 8.294 0.02 1 8 3 3 ASP HA H 4.679 0 1 9 3 3 ASP HB2 H 2.754 0 1 10 3 3 ASP HB3 H 2.754 0 1 11 3 3 ASP C C 175.493 0 1 12 3 3 ASP CA C 52.203 0.01 1 13 3 3 ASP CB C 37.851 0.04 1 14 3 3 ASP N N 117.619 0.1 1 15 4 4 SER H H 8.358 0.01 1 16 4 4 SER HA H 4.36 0 1 17 4 4 SER HB2 H 3.863 0 1 18 4 4 SER HB3 H 3.863 0 1 19 4 4 SER C C 174.465 0 1 20 4 4 SER CA C 57.819 0.02 1 21 4 4 SER CB C 62.471 0 1 22 4 4 SER N N 116.014 0.06 1 23 5 5 SER H H 8.073 0.01 1 24 5 5 SER HA H 4.38 0 1 25 5 5 SER HB2 H 3.777 0 1 26 5 5 SER HB3 H 3.777 0 1 27 5 5 SER C C 174.416 0 1 28 5 5 SER CA C 57.233 0.1 1 29 5 5 SER CB C 62.604 0.06 1 30 5 5 SER N N 117.025 0.05 1 31 6 6 SER H H 8.2 0.01 1 32 6 6 SER HA H 4.377 0 1 33 6 6 SER HB2 H 3.793 0 1 34 6 6 SER HB3 H 3.793 0 1 35 6 6 SER C C 174.324 0 1 36 6 6 SER CA C 57.085 0.08 1 37 6 6 SER CB C 62.715 0.08 1 38 6 6 SER N N 117.815 0.04 1 39 7 7 MET H H 8.047 0 1 40 7 7 MET HA H 4.504 0.01 1 41 7 7 MET HB2 H 1.99 0 2 42 7 7 MET HB3 H 1.893 0 2 43 7 7 MET HG2 H 2.489 0.01 1 44 7 7 MET HG3 H 2.489 0.01 1 45 7 7 MET C C 175.811 0 1 46 7 7 MET CA C 54.707 0.05 1 47 7 7 MET CB C 33.833 0.06 1 48 7 7 MET CG C 31.159 0.05 1 49 7 7 MET N N 122.179 0.08 1 50 8 8 SER H H 8.859 0.01 1 51 8 8 SER HA H 4.53 0 1 52 8 8 SER HB2 H 4.009 0 1 53 8 8 SER HB3 H 4.009 0 1 54 8 8 SER C C 174.81 0 1 55 8 8 SER CA C 56.194 0.05 1 56 8 8 SER CB C 64.159 0.07 1 57 8 8 SER N N 120.663 0.04 1 58 9 9 ALA H H 8.934 0.01 1 59 9 9 ALA HA H 4.184 0.01 1 60 9 9 ALA HB H 1.549 0.01 1 61 9 9 ALA C C 180.974 0 1 62 9 9 ALA CA C 54.365 0.07 1 63 9 9 ALA CB C 17.053 0.05 1 64 9 9 ALA N N 124.222 0.05 1 65 10 10 THR H H 8.078 0.01 1 66 10 10 THR HA H 4.074 0.02 1 67 10 10 THR HB H 4.11 0.01 1 68 10 10 THR HG2 H 1.278 0.01 1 69 10 10 THR C C 177.159 0 1 70 10 10 THR CA C 64.331 0.12 1 71 10 10 THR CB C 67.5 0.09 1 72 10 10 THR CG2 C 20.698 0.09 1 73 10 10 THR N N 112.703 0.06 1 74 11 11 GLU H H 7.724 0.01 1 75 11 11 GLU CA C 57.994 0.03 1 76 11 11 GLU CB C 28.793 0 1 77 11 11 GLU N N 124.389 0.04 1 78 12 12 LEU HA H 4.278 0.01 1 79 12 12 LEU HB2 H 1.876 0.01 2 80 12 12 LEU HB3 H 1.708 0.01 2 81 12 12 LEU HD1 H 1.127 0.01 2 82 12 12 LEU HD2 H 1.145 0.02 2 83 12 12 LEU C C 179.62 0 1 84 12 12 LEU CA C 57.005 0.13 1 85 12 12 LEU CB C 40.561 0.05 1 86 12 12 LEU CD1 C 23.975 0.1 2 87 12 12 LEU CD2 C 23.758 0.15 2 88 13 13 SER H H 7.983 0.01 1 89 13 13 SER HA H 4.035 0 1 90 13 13 SER C C 176.376 0 1 91 13 13 SER CA C 60.473 0.09 1 92 13 13 SER CB C 61.744 0.1 1 93 13 13 SER N N 113.838 0.04 1 94 14 14 ALA H H 7.356 0.01 1 95 14 14 ALA HA H 4.308 0.01 1 96 14 14 ALA HB H 1.586 0.01 1 97 14 14 ALA C C 178.756 0 1 98 14 14 ALA CA C 52.364 0.02 1 99 14 14 ALA CB C 17.274 0.04 1 100 14 14 ALA N N 122.203 0.05 1 101 15 15 CYS H H 7.642 0.01 1 102 15 15 CYS HB2 H 3.484 0 2 103 15 15 CYS HB3 H 2.928 0 2 104 15 15 CYS C C 174.571 0 1 105 15 15 CYS CA C 57.838 0.03 1 106 15 15 CYS CB C 27.289 0.01 1 107 15 15 CYS N N 115.622 0.06 1 108 16 16 LYS H H 6.714 0.01 1 109 16 16 LYS HB2 H 2.563 0 2 110 16 16 LYS HB3 H 1.475 0 2 111 16 16 LYS C C 175.993 0 1 112 16 16 LYS CA C 57.256 0.08 1 113 16 16 LYS CB C 30.87 0.01 1 114 16 16 LYS N N 117.159 0.07 1 115 17 17 CYS H H 7.54 0.01 1 116 17 17 CYS HA H 4.444 0 1 117 17 17 CYS HB2 H 3.048 0 2 118 17 17 CYS HB3 H 2.924 0 2 119 17 17 CYS C C 174.771 0 1 120 17 17 CYS CA C 56.378 0.05 1 121 17 17 CYS CB C 26.877 0.02 1 122 17 17 CYS N N 111.621 0.06 1 123 18 18 HIS H H 7.813 0.01 1 124 18 18 HIS HA H 4.932 0 1 125 18 18 HIS C C 177.664 0 1 126 18 18 HIS CA C 53.763 0.02 1 127 18 18 HIS CB C 31.633 0.05 1 128 18 18 HIS N N 121.812 0.05 1 129 19 19 GLN H H 9.563 0.01 1 130 19 19 GLN HA H 4.244 0 1 131 19 19 GLN HB2 H 2.316 0 1 132 19 19 GLN HB3 H 2.316 0 1 133 19 19 GLN C C 178.511 0 1 134 19 19 GLN CA C 58.127 0.09 1 135 19 19 GLN CB C 25.967 0.1 1 136 19 19 GLN N N 125.543 0.06 1 137 20 20 TRP H H 8.984 0.01 1 138 20 20 TRP HE1 H 9.832 0 1 139 20 20 TRP C C 177.441 0 1 140 20 20 TRP CA C 58.645 0.09 1 141 20 20 TRP CB C 26.197 0 1 142 20 20 TRP N N 117.523 0.08 1 143 20 20 TRP NE1 N 127.539 0 1 144 21 21 TYR H H 6.164 0.01 1 145 21 21 TYR CA C 59.73 0 1 146 21 21 TYR CB C 37.92 0 1 147 21 21 TYR N N 127.169 0.05 1 148 22 22 ARG HA H 3.762 0 1 149 22 22 ARG HB2 H 1.837 0 1 150 22 22 ARG HB3 H 1.837 0 1 151 22 22 ARG C C 178.236 0 1 152 22 22 ARG CA C 59.755 0.07 1 153 22 22 ARG CB C 30.219 0 1 154 23 23 LYS H H 7.172 0.01 1 155 23 23 LYS HA H 3.92 0 1 156 23 23 LYS HB2 H 1.833 0 1 157 23 23 LYS HB3 H 1.833 0 1 158 23 23 LYS C C 179.546 0 1 159 23 23 LYS CA C 58.12 0.05 1 160 23 23 LYS CB C 31.195 0 1 161 23 23 LYS N N 118.107 0.07 1 162 24 24 PHE H H 8.759 0.01 1 163 24 24 PHE HA H 3.985 0 1 164 24 24 PHE HB2 H 3.119 0 1 165 24 24 PHE HB3 H 3.119 0 1 166 24 24 PHE C C 176.829 0 1 167 24 24 PHE CA C 60.954 0 1 168 24 24 PHE CB C 39.052 0.04 1 169 24 24 PHE N N 123.635 0.05 1 170 25 25 MET H H 7.69 0.01 1 171 25 25 MET HA H 4.189 0 1 172 25 25 MET HB2 H 1.98 0 1 173 25 25 MET HB3 H 1.98 0 1 174 25 25 MET C C 178.721 0 1 175 25 25 MET CA C 55.607 0.03 1 176 25 25 MET CB C 30.234 0.05 1 177 25 25 MET N N 113.232 0.06 1 178 26 26 THR H H 8.085 0.01 1 179 26 26 THR HA H 4.132 0.03 1 180 26 26 THR HB H 4.164 0.02 1 181 26 26 THR HG2 H 1.264 0.01 1 182 26 26 THR C C 176.29 0 1 183 26 26 THR CA C 63.672 0.06 1 184 26 26 THR CB C 68.612 0.04 1 185 26 26 THR CG2 C 20.384 0.1 1 186 26 26 THR N N 110.69 0.05 1 187 27 27 GLU H H 8.323 0.01 1 188 27 27 GLU HA H 4.345 0 1 189 27 27 GLU C C 176.76 0 1 190 27 27 GLU CA C 56.014 0.06 1 191 27 27 GLU CB C 28.784 0.07 1 192 27 27 GLU N N 118.309 0.06 1 193 28 28 CYS H H 7.775 0.01 1 194 28 28 CYS CA C 54.465 0.01 1 195 28 28 CYS CB C 24.734 0 1 196 28 28 CYS N N 119.103 0.05 1 197 29 29 PRO HA H 4.381 0 1 198 29 29 PRO HB2 H 2.311 0 2 199 29 29 PRO HB3 H 2.016 0 2 200 29 29 PRO C C 178.187 0 1 201 29 29 PRO CA C 63.645 0.08 1 202 29 29 PRO CB C 30.222 0 1 203 30 30 SER H H 8.295 0.01 1 204 30 30 SER HA H 4.402 0 1 205 30 30 SER HB2 H 4.075 0 1 206 30 30 SER HB3 H 4.075 0 1 207 30 30 SER C C 176.147 0 1 208 30 30 SER CA C 58.217 0.04 1 209 30 30 SER CB C 62.62 0.05 1 210 30 30 SER N N 112.99 0.05 1 211 31 31 GLY H H 8.047 0.01 1 212 31 31 GLY HA2 H 4.397 0 2 213 31 31 GLY HA3 H 3.841 0 2 214 31 31 GLY C C 172.813 0 1 215 31 31 GLY CA C 44.635 0.02 1 216 31 31 GLY N N 109.877 0.06 1 217 32 32 GLN H H 7.466 0.01 1 218 32 32 GLN HA H 5.162 0 1 219 32 32 GLN HB2 H 1.952 0 2 220 32 32 GLN HB3 H 1.778 0 2 221 32 32 GLN C C 173.761 0 1 222 32 32 GLN CA C 53.188 0.07 1 223 32 32 GLN CB C 31.122 0.03 1 224 32 32 GLN N N 116.698 0.03 1 225 33 33 LEU H H 9.177 0.01 1 226 33 33 LEU HA H 4.74 0.02 1 227 33 33 LEU HB2 H 1.78 0.02 1 228 33 33 LEU HB3 H 1.78 0.02 1 229 33 33 LEU HG H 1.582 0 1 230 33 33 LEU HD1 H 0.502 0 2 231 33 33 LEU HD2 H 0.471 0.02 2 232 33 33 LEU C C 177.548 0 1 233 33 33 LEU CA C 52.752 0.16 1 234 33 33 LEU CB C 43.675 0.05 1 235 33 33 LEU CD1 C 24.33 0.06 2 236 33 33 LEU CD2 C 23.979 0.1 2 237 33 33 LEU N N 123.812 0.08 1 238 34 34 THR H H 8.128 0.01 1 239 34 34 THR HA H 4.883 0.05 1 240 34 34 THR HG2 H 1.461 0.01 1 241 34 34 THR C C 175.323 0 1 242 34 34 THR CA C 60.03 0.06 1 243 34 34 THR CB C 70.159 0.11 1 244 34 34 THR CG2 C 20.9 0.05 1 245 34 34 THR N N 114.81 0.03 1 246 35 35 PHE H H 9.081 0.01 1 247 35 35 PHE C C 177.074 0 1 248 35 35 PHE CA C 60.892 0.07 1 249 35 35 PHE CB C 37.38 0.06 1 250 35 35 PHE N N 121.928 0.04 1 251 36 36 TYR H H 8.282 0.01 1 252 36 36 TYR HA H 3.895 0 1 253 36 36 TYR HB2 H 3.152 0 2 254 36 36 TYR HB3 H 3.013 0 2 255 36 36 TYR C C 178.775 0 1 256 36 36 TYR CA C 60.345 0.11 1 257 36 36 TYR CB C 36.929 0.06 1 258 36 36 TYR N N 116.813 0.05 1 259 37 37 GLU H H 7.426 0.01 1 260 37 37 GLU HA H 4.072 0 1 261 37 37 GLU HB2 H 2.288 0 2 262 37 37 GLU HB3 H 1.938 0 2 263 37 37 GLU C C 180.206 0 1 264 37 37 GLU CA C 57.523 0.31 1 265 37 37 GLU CB C 28.811 0.28 1 266 37 37 GLU N N 118.042 0.04 1 267 38 38 PHE H H 8.58 0.01 1 268 38 38 PHE HA H 4.064 0 1 269 38 38 PHE HB2 H 3.349 0 2 270 38 38 PHE HB3 H 2.935 0 2 271 38 38 PHE C C 176.732 0 1 272 38 38 PHE CA C 59.951 0.06 1 273 38 38 PHE CB C 38.154 0.04 1 274 38 38 PHE N N 122.215 0.04 1 275 39 39 LYS H H 8.672 0.01 1 276 39 39 LYS CA C 56.33 0 1 277 39 39 LYS CB C 29.922 0 1 278 39 39 LYS N N 116.691 0.07 1 279 41 41 PHE HA H 3.834 0 1 280 41 41 PHE HB2 H 3.025 0 1 281 41 41 PHE HB3 H 3.025 0 1 282 41 41 PHE C C 176.182 0 1 283 41 41 PHE CA C 60.775 0.07 1 284 41 41 PHE CB C 39.029 0 1 285 42 42 PHE H H 7.433 0.01 1 286 42 42 PHE HA H 4.45 0 1 287 42 42 PHE HB2 H 3.429 0 2 288 42 42 PHE HB3 H 2.269 0 2 289 42 42 PHE C C 173.233 0 1 290 42 42 PHE CA C 57.751 0.05 1 291 42 42 PHE CB C 37.944 0.04 1 292 42 42 PHE N N 111.215 0.04 1 293 43 43 GLY H H 7.38 0.01 1 294 43 43 GLY HA2 H 3.849 0.02 1 295 43 43 GLY HA3 H 3.849 0.02 1 296 43 43 GLY C C 176.078 0 1 297 43 43 GLY CA C 45.988 0.03 1 298 43 43 GLY N N 104.978 0.05 1 299 44 44 LEU H H 8.64 0.01 1 300 44 44 LEU HA H 4.357 0 1 301 44 44 LEU HD2 H 0.886 0.06 2 302 44 44 LEU CA C 51.997 0.05 1 303 44 44 LEU CB C 38.481 0 1 304 44 44 LEU N N 120.248 0.05 1 305 46 46 ASN HA H 4.412 0 1 306 46 46 ASN HB2 H 2.965 0 2 307 46 46 ASN HB3 H 2.79 0 2 308 46 46 ASN C C 174.614 0 1 309 46 46 ASN CA C 52.84 0.13 1 310 46 46 ASN CB C 35.85 0.03 1 311 47 47 LEU H H 8.069 0.01 1 312 47 47 LEU HA H 4.46 0.01 1 313 47 47 LEU HB2 H 1.789 0.02 2 314 47 47 LEU HB3 H 1.455 0.03 2 315 47 47 LEU HD1 H 0.8 0.04 2 316 47 47 LEU HD2 H 0.889 0.04 2 317 47 47 LEU C C 177.98 0 1 318 47 47 LEU CA C 52.982 0.05 1 319 47 47 LEU CB C 41.895 0.09 1 320 47 47 LEU CD1 C 21.553 0.03 2 321 47 47 LEU CD2 C 25.638 0.13 2 322 47 47 LEU N N 118.436 0.04 1 323 48 48 SER H H 8.59 0.01 1 324 48 48 SER HA H 4.502 0 1 325 48 48 SER HB2 H 4.355 0 1 326 48 48 SER HB3 H 4.355 0 1 327 48 48 SER C C 174.612 0 1 328 48 48 SER CA C 55.961 0.03 1 329 48 48 SER CB C 63.925 0.06 1 330 48 48 SER N N 117.785 0.04 1 331 49 49 GLU H H 8.931 0.01 1 332 49 49 GLU HB2 H 2.056 0 1 333 49 49 GLU HB3 H 2.056 0 1 334 49 49 GLU C C 179.773 0 1 335 49 49 GLU CA C 59.128 0.1 1 336 49 49 GLU CB C 28.127 0.06 1 337 49 49 GLU N N 121.894 0.06 1 338 50 50 LYS H H 8.438 0.01 1 339 50 50 LYS HA H 3.926 0 1 340 50 50 LYS HB2 H 1.783 0 2 341 50 50 LYS HB3 H 1.6 0 2 342 50 50 LYS C C 178.655 0 1 343 50 50 LYS CA C 58.019 0.04 1 344 50 50 LYS CB C 31.202 0.03 1 345 50 50 LYS N N 120.531 0.08 1 346 51 51 SER H H 7.907 0.01 1 347 51 51 SER HA H 4.322 0 1 348 51 51 SER HB2 H 4.134 0 1 349 51 51 SER HB3 H 4.134 0 1 350 51 51 SER C C 174.856 0 1 351 51 51 SER CA C 61.561 0.07 1 352 51 51 SER CB C 62.629 0.05 1 353 51 51 SER N N 114.922 0.08 1 354 52 52 ASN H H 8.62 0.01 1 355 52 52 ASN HA H 4.472 0 1 356 52 52 ASN HB2 H 2.833 0 1 357 52 52 ASN HB3 H 2.833 0 1 358 52 52 ASN C C 177.846 0 1 359 52 52 ASN CA C 55.74 0.06 1 360 52 52 ASN CB C 37.451 0.04 1 361 52 52 ASN N N 120.663 0.09 1 362 53 53 ALA H H 7.589 0.01 1 363 53 53 ALA HA H 4.309 0.02 1 364 53 53 ALA HB H 1.486 0.01 1 365 53 53 ALA C C 181.035 0 1 366 53 53 ALA CA C 54.123 0.02 1 367 53 53 ALA CB C 16.497 0.02 1 368 53 53 ALA N N 122.305 0.05 1 369 54 54 TYR H H 7.637 0.01 1 370 54 54 TYR HA H 4.905 0 1 371 54 54 TYR HB2 H 3.284 0 1 372 54 54 TYR HB3 H 3.284 0 1 373 54 54 TYR C C 179.126 0 1 374 54 54 TYR CA C 57.797 0.03 1 375 54 54 TYR CB C 36.678 0.07 1 376 54 54 TYR N N 118.283 0.04 1 377 55 55 VAL H H 8.548 0.02 1 378 55 55 VAL HA H 4.1 0.01 1 379 55 55 VAL HB H 2.573 0.01 1 380 55 55 VAL HG1 H 1.405 0.04 2 381 55 55 VAL HG2 H 1.358 0.03 2 382 55 55 VAL C C 177.88 0 1 383 55 55 VAL CA C 65.816 0.08 1 384 55 55 VAL CB C 30.417 0.08 1 385 55 55 VAL CG1 C 24.506 0.02 2 386 55 55 VAL CG2 C 21.851 0.02 2 387 55 55 VAL N N 120.536 0.06 1 388 56 56 ASN H H 7.996 0.02 1 389 56 56 ASN HA H 4.533 0 1 390 56 56 ASN HB2 H 3.064 0 2 391 56 56 ASN HB3 H 2.918 0 2 392 56 56 ASN C C 177.757 0 1 393 56 56 ASN CA C 56.244 0.07 1 394 56 56 ASN CB C 37.319 0.06 1 395 56 56 ASN N N 119.317 0.05 1 396 57 57 THR H H 7.917 0.01 1 397 57 57 THR HA H 4.037 0.01 1 398 57 57 THR HB H 4.675 0.01 1 399 57 57 THR HG2 H 1.534 0.01 1 400 57 57 THR C C 176.067 0 1 401 57 57 THR CA C 65.841 0.1 1 402 57 57 THR CB C 67.645 0.07 1 403 57 57 THR CG2 C 21.512 0.05 1 404 57 57 THR N N 117.985 0.06 1 405 58 58 MET H H 8.668 0.02 1 406 58 58 MET HA H 3.938 0 1 407 58 58 MET C C 178.403 0 1 408 58 58 MET CA C 58.832 0.07 1 409 58 58 MET CB C 32.647 0 1 410 58 58 MET CE C 16.913 0 1 411 58 58 MET N N 123.476 0.05 1 412 59 59 PHE H H 7.05 0.01 1 413 59 59 PHE HB2 H 3.355 0 1 414 59 59 PHE HB3 H 3.355 0 1 415 59 59 PHE C C 176.712 0 1 416 59 59 PHE CA C 61.104 0.07 1 417 59 59 PHE CB C 38.828 0.35 1 418 59 59 PHE N N 118.839 0.05 1 419 60 60 LYS H H 7.955 0.01 1 420 60 60 LYS HA H 3.982 0 1 421 60 60 LYS HB2 H 2.033 0 1 422 60 60 LYS HB3 H 2.033 0 1 423 60 60 LYS C C 178.581 0 1 424 60 60 LYS CA C 57.711 0.09 1 425 60 60 LYS CB C 30.564 0.02 1 426 60 60 LYS N N 117.376 0.05 1 427 61 61 THR H H 8.174 0.01 1 428 61 61 THR HA H 3.764 0 1 429 61 61 THR HB H 4.323 0.01 1 430 61 61 THR HG2 H 1.086 0.01 1 431 61 61 THR C C 176.171 0 1 432 61 61 THR CA C 65.19 0.06 1 433 61 61 THR CB C 66.638 0.02 1 434 61 61 THR CG2 C 21.515 0.04 1 435 61 61 THR N N 116.275 0.06 1 436 62 62 PHE H H 7.417 0.01 1 437 62 62 PHE HB2 H 3.016 0 1 438 62 62 PHE HB3 H 3.016 0 1 439 62 62 PHE C C 177.7 0 1 440 62 62 PHE CA C 59.308 0.04 1 441 62 62 PHE CB C 40.725 0.01 1 442 62 62 PHE N N 118.554 0.07 1 443 63 63 ASP H H 7.494 0.01 1 444 63 63 ASP HA H 3.78 0 1 445 63 63 ASP C C 175.713 0 1 446 63 63 ASP CA C 56.266 0.04 1 447 63 63 ASP CB C 41.328 0.01 1 448 63 63 ASP N N 117.756 0.12 1 449 64 64 ILE H H 6.788 0.02 1 450 64 64 ILE HA H 4.655 0 1 451 64 64 ILE CA C 55.432 0 1 452 64 64 ILE CB C 39.564 0 1 453 64 64 ILE N N 110.691 0.04 1 454 65 65 ASP HA H 4.575 0 1 455 65 65 ASP HB2 H 3.086 0 1 456 65 65 ASP HB3 H 3.086 0 1 457 65 65 ASP C C 176.23 0 1 458 65 65 ASP CA C 51.748 0.07 1 459 65 65 ASP CB C 38.498 0 1 460 66 66 ASP H H 7.953 0.01 1 461 66 66 ASP HA H 4.39 0 1 462 66 66 ASP HB2 H 3.097 0 2 463 66 66 ASP HB3 H 2.415 0 2 464 66 66 ASP C C 175.628 0 1 465 66 66 ASP CA C 54.404 0.04 1 466 66 66 ASP CB C 39.341 0.01 1 467 66 66 ASP N N 119.362 0.05 1 468 67 67 ASP H H 8.548 0.01 1 469 67 67 ASP HA H 4.645 0 1 470 67 67 ASP HB2 H 2.487 0 1 471 67 67 ASP HB3 H 2.487 0 1 472 67 67 ASP C C 178.552 0 1 473 67 67 ASP CA C 52.391 0.05 1 474 67 67 ASP CB C 39.834 0.02 1 475 67 67 ASP N N 118.842 0.04 1 476 68 68 GLY H H 10.611 0.01 1 477 68 68 GLY C C 176.29 0 1 478 68 68 GLY CA C 44.425 0.11 1 479 68 68 GLY N N 113.848 0.06 1 480 69 69 CYS H H 8.295 0 1 481 69 69 CYS HA H 5.313 0 1 482 69 69 CYS HB2 H 2.797 0 2 483 69 69 CYS HB3 H 2.599 0 2 484 69 69 CYS C C 172.93 0 1 485 69 69 CYS CA C 55.277 0.07 1 486 69 69 CYS CB C 30.647 0.02 1 487 69 69 CYS N N 117.839 0.04 1 488 70 70 ILE H H 9.399 0.01 1 489 70 70 ILE HA H 4.651 0.03 1 490 70 70 ILE HB H 2.027 0 1 491 70 70 ILE HG12 H 1.484 0.02 2 492 70 70 ILE HG13 H 0.96 0.01 2 493 70 70 ILE HG2 H 0.355 0.01 1 494 70 70 ILE HD1 H -0.034 0.01 1 495 70 70 ILE C C 175.857 0 1 496 70 70 ILE CA C 58.27 0.11 1 497 70 70 ILE CB C 37.539 0.13 1 498 70 70 ILE CG1 C 25.512 0.08 1 499 70 70 ILE CG2 C 16.502 0.14 1 500 70 70 ILE CD1 C 12.351 0.05 1 501 70 70 ILE N N 126.657 0.07 1 502 71 71 ASP H H 9.097 0.01 1 503 71 71 ASP CA C 51.093 0.04 1 504 71 71 ASP CB C 40.901 0 1 505 71 71 ASP N N 128.258 0.04 1 506 74 74 GLU HA H 4.083 0 1 507 74 74 GLU HB2 H 2.132 0 1 508 74 74 GLU HB3 H 2.132 0 1 509 74 74 GLU C C 178.532 0 1 510 74 74 GLU CA C 57.081 0.05 1 511 74 74 GLU CB C 28.934 0 1 512 75 75 TYR H H 9.073 0.01 1 513 75 75 TYR HA H 4.306 0 1 514 75 75 TYR HB2 H 2.764 0 1 515 75 75 TYR HB3 H 2.764 0 1 516 75 75 TYR C C 176.212 0 1 517 75 75 TYR CA C 60.61 0.09 1 518 75 75 TYR CB C 38.117 0.42 1 519 75 75 TYR N N 124.679 0.03 1 520 76 76 VAL H H 8.503 0.01 1 521 76 76 VAL HA H 3.244 0.01 1 522 76 76 VAL HB H 1.837 0.01 1 523 76 76 VAL HG1 H 0.61 0.01 2 524 76 76 VAL HG2 H 0.855 0.01 2 525 76 76 VAL C C 178.042 0 1 526 76 76 VAL CA C 64.992 0.07 1 527 76 76 VAL CB C 30.742 0.07 1 528 76 76 VAL CG1 C 22.136 0.06 2 529 76 76 VAL CG2 C 21.104 0.01 2 530 76 76 VAL N N 117.234 0.07 1 531 77 77 ALA H H 8.108 0.01 1 532 77 77 ALA HA H 3.762 0.01 1 533 77 77 ALA HB H 1.405 0.01 1 534 77 77 ALA C C 179.728 0 1 535 77 77 ALA CA C 54.191 0.06 1 536 77 77 ALA CB C 16.991 0.06 1 537 77 77 ALA N N 122.605 0.06 1 538 78 78 ALA H H 6.984 0.01 1 539 78 78 ALA HA H 3.723 0.01 1 540 78 78 ALA HB H 0.936 0.02 1 541 78 78 ALA C C 177.413 0 1 542 78 78 ALA CA C 53.342 0.12 1 543 78 78 ALA CB C 17.33 0.06 1 544 78 78 ALA N N 118.66 0.06 1 545 79 79 LEU H H 7.578 0.01 1 546 79 79 LEU HA H 3.283 0.02 1 547 79 79 LEU HB2 H 0.904 0.01 2 548 79 79 LEU HB3 H 0.064 0.01 2 549 79 79 LEU HG H 1.173 0.02 1 550 79 79 LEU HD1 H 0.402 0.01 2 551 79 79 LEU HD2 H 0.345 0.01 2 552 79 79 LEU C C 179.467 0 1 553 79 79 LEU CA C 55.077 0.12 1 554 79 79 LEU CB C 38.208 0.11 1 555 79 79 LEU CD1 C 22.408 0.08 2 556 79 79 LEU CD2 C 23.511 0.04 2 557 79 79 LEU N N 117.81 0.1 1 558 80 80 SER H H 8.147 0.01 1 559 80 80 SER HA H 3.732 0 1 560 80 80 SER HB2 H 3.566 0 1 561 80 80 SER HB3 H 3.566 0 1 562 80 80 SER C C 175.947 0 1 563 80 80 SER CA C 60.309 0.08 1 564 80 80 SER CB C 61.937 0.04 1 565 80 80 SER N N 109.579 0.05 1 566 81 81 LEU H H 6.895 0.01 1 567 81 81 LEU HA H 3.665 0.02 1 568 81 81 LEU HB2 H 1.247 0.01 1 569 81 81 LEU HB3 H 1.247 0.01 1 570 81 81 LEU HD1 H -0.024 0.01 2 571 81 81 LEU HD2 H -0.024 0.03 2 572 81 81 LEU C C 178.275 0 1 573 81 81 LEU CA C 55.261 0.09 1 574 81 81 LEU CB C 40.092 0.02 1 575 81 81 LEU CD1 C 20.128 0.06 2 576 81 81 LEU CD2 C 24.066 0.03 2 577 81 81 LEU N N 121.09 0.04 1 578 82 82 VAL H H 7.249 0.01 1 579 82 82 VAL HA H 4.554 0.01 1 580 82 82 VAL HB H 2.443 0.01 1 581 82 82 VAL HG1 H 0.623 0 2 582 82 82 VAL HG2 H 0.418 0.01 2 583 82 82 VAL C C 176.205 0 1 584 82 82 VAL CA C 59.232 0.06 1 585 82 82 VAL CB C 30.073 0.09 1 586 82 82 VAL CG1 C 17.395 0.05 2 587 82 82 VAL CG2 C 21.512 0.07 2 588 82 82 VAL N N 106.319 0.07 1 589 83 83 LEU H H 6.982 0.01 1 590 83 83 LEU HA H 4.168 0.01 1 591 83 83 LEU HB2 H 1.587 0.01 1 592 83 83 LEU HB3 H 1.587 0.01 1 593 83 83 LEU HD1 H 0.558 0.02 2 594 83 83 LEU HD2 H 0.895 0 2 595 83 83 LEU C C 177.176 0 1 596 83 83 LEU CA C 55.588 0.05 1 597 83 83 LEU CB C 41.537 0.06 1 598 83 83 LEU CD1 C 21.955 0.08 2 599 83 83 LEU CD2 C 23.88 0.08 2 600 83 83 LEU N N 121.491 0.06 1 601 84 84 LYS H H 7.847 0.01 1 602 84 84 LYS HA H 4.735 0 1 603 84 84 LYS HB2 H 1.716 0 1 604 84 84 LYS HB3 H 1.716 0 1 605 84 84 LYS HG2 H 1.339 0 1 606 84 84 LYS HG3 H 1.339 0 1 607 84 84 LYS C C 175.163 0 1 608 84 84 LYS CA C 53.4 0.08 1 609 84 84 LYS CB C 34.362 0.04 1 610 84 84 LYS N N 117.485 0.06 1 611 85 85 GLY H H 8.26 0.01 1 612 85 85 GLY HA2 H 4.418 0 2 613 85 85 GLY HA3 H 3.829 0 2 614 85 85 GLY C C 174.517 0 1 615 85 85 GLY CA C 42.51 0.04 1 616 85 85 GLY N N 107.244 0.06 1 617 86 86 GLY H H 8.232 0.01 1 618 86 86 GLY HA2 H 4.056 0 2 619 86 86 GLY HA3 H 4.335 0 2 620 86 86 GLY C C 174.827 0 1 621 86 86 GLY CA C 43.378 0.03 1 622 86 86 GLY N N 105.58 0.04 1 623 87 87 VAL H H 8.597 0.01 1 624 87 87 VAL HA H 3.707 0.01 1 625 87 87 VAL HB H 2.184 0.01 1 626 87 87 VAL HG1 H 1.051 0.01 2 627 87 87 VAL HG2 H 0.968 0.01 2 628 87 87 VAL C C 176.858 0 1 629 87 87 VAL CA C 65.57 0.08 1 630 87 87 VAL CB C 30.561 0.08 1 631 87 87 VAL CG1 C 21.852 0.02 2 632 87 87 VAL CG2 C 20.01 0.1 2 633 87 87 VAL N N 120.199 0.04 1 634 88 88 GLN H H 8.696 0.01 1 635 88 88 GLN C C 177.635 0 1 636 88 88 GLN CA C 59.226 0.05 1 637 88 88 GLN CB C 26.359 0.02 1 638 88 88 GLN N N 118.638 0.04 1 639 89 89 GLN H H 7.44 0.01 1 640 89 89 GLN CA C 59.275 0.04 1 641 89 89 GLN CB C 27.326 0 1 642 89 89 GLN N N 118.174 0.06 1 643 91 91 LEU HA H 4.127 0.01 1 644 91 91 LEU HB2 H 1.948 0.03 2 645 91 91 LEU HB3 H 1.299 0.01 2 646 91 91 LEU HD1 H 0.705 0.01 2 647 91 91 LEU C C 177.279 0 1 648 91 91 LEU CA C 57.337 0.07 1 649 91 91 LEU CB C 40.687 0.06 1 650 91 91 LEU CD1 C 21.622 0.04 2 651 92 92 ARG H H 7.6 0.01 1 652 92 92 ARG HA H 3.846 0 1 653 92 92 ARG HB2 H 1.705 0 2 654 92 92 ARG HB3 H 1.551 0 2 655 92 92 ARG C C 179.215 0 1 656 92 92 ARG CA C 59.095 0.05 1 657 92 92 ARG CB C 28.265 0.05 1 658 92 92 ARG N N 116.287 0.07 1 659 93 93 TRP H H 7.215 0.01 1 660 93 93 TRP HA H 4.553 0 1 661 93 93 TRP HB2 H 3.916 0 2 662 93 93 TRP HB3 H 3.148 0 2 663 93 93 TRP HE1 H 9.521 0 1 664 93 93 TRP C C 178.161 0 1 665 93 93 TRP CA C 58.781 0.12 1 666 93 93 TRP CB C 28.249 0.01 1 667 93 93 TRP N N 117.899 0.1 1 668 93 93 TRP NE1 N 128.172 0 1 669 94 94 TYR H H 8.16 0.01 1 670 94 94 TYR HA H 3.903 0 1 671 94 94 TYR HB2 H 2.847 0 2 672 94 94 TYR HB3 H 2.656 0 2 673 94 94 TYR C C 178.88 0 1 674 94 94 TYR CA C 62.604 0.11 1 675 94 94 TYR CB C 36.918 0.01 1 676 94 94 TYR N N 117.112 0.09 1 677 95 95 PHE H H 8.22 0.01 1 678 95 95 PHE HA H 4.527 0 1 679 95 95 PHE HB2 H 3.321 0 1 680 95 95 PHE HB3 H 3.321 0 1 681 95 95 PHE C C 178.747 0 1 682 95 95 PHE CA C 59.776 0.03 1 683 95 95 PHE CB C 36.753 0.06 1 684 95 95 PHE N N 113.365 0.05 1 685 96 96 LYS H H 7.797 0.01 1 686 96 96 LYS CA C 57.269 0.12 1 687 96 96 LYS CB C 30.714 0 1 688 96 96 LYS N N 120.683 0.15 1 689 100 100 MET C C 176.988 0 1 690 100 100 MET CA C 55.81 0 1 691 100 100 MET CB C 31.542 0 1 692 101 101 ASP H H 8.318 0.01 1 693 101 101 ASP HA H 4.634 0 1 694 101 101 ASP HB2 H 2.734 0 1 695 101 101 ASP HB3 H 2.734 0 1 696 101 101 ASP C C 177.453 0 1 697 101 101 ASP CA C 53.232 0.11 1 698 101 101 ASP CB C 40.202 0.04 1 699 101 101 ASP N N 118.522 0.1 1 700 102 102 GLY H H 8.15 0.01 1 701 102 102 GLY HA2 H 3.954 0.01 1 702 102 102 GLY HA3 H 3.954 0.01 1 703 102 102 GLY C C 174.973 0 1 704 102 102 GLY CA C 45.321 0.05 1 705 102 102 GLY N N 109.322 0.05 1 706 103 103 SER H H 8.385 0.02 1 707 103 103 SER HA H 4.44 0 1 708 103 103 SER HB2 H 3.961 0 2 709 103 103 SER HB3 H 3.871 0 2 710 103 103 SER C C 175.649 0 1 711 103 103 SER CA C 57.738 0.09 1 712 103 103 SER CB C 63.002 0.03 1 713 103 103 SER N N 116.08 0.09 1 714 104 104 GLY H H 8.932 0.03 1 715 104 104 GLY HA2 H 3.99 0.01 1 716 104 104 GLY HA3 H 3.99 0.01 1 717 104 104 GLY C C 173.9 0 1 718 104 104 GLY CA C 44.335 0.06 1 719 104 104 GLY N N 112.264 0.06 1 720 105 105 CYS H H 8.122 0.01 1 721 105 105 CYS HA H 4.831 0.02 1 722 105 105 CYS HB2 H 2.756 0 1 723 105 105 CYS HB3 H 2.756 0 1 724 105 105 CYS CA C 56.805 0 1 725 105 105 CYS CB C 28.724 0 1 726 105 105 CYS N N 118.236 0.05 1 727 110 110 GLU HA H 3.191 0 1 728 110 110 GLU HB2 H 1.344 0 1 729 110 110 GLU HB3 H 1.344 0 1 730 110 110 GLU C C 177.761 0 1 731 110 110 GLU CA C 58.862 0.08 1 732 110 110 GLU CB C 30.564 0.01 1 733 111 111 LEU H H 7.811 0.01 1 734 111 111 LEU HA H 3.735 0.01 1 735 111 111 LEU HB2 H 1.804 0 2 736 111 111 LEU HB3 H 1.418 0.02 2 737 111 111 LEU HD1 H 1.167 0 2 738 111 111 LEU HD2 H 0.791 0 2 739 111 111 LEU C C 177.233 0 1 740 111 111 LEU CA C 56.43 0.2 1 741 111 111 LEU CB C 40.491 0.56 1 742 111 111 LEU CD1 C 25.557 0.02 2 743 111 111 LEU CD2 C 22.71 0.05 2 744 111 111 LEU N N 118.602 0.09 1 745 112 112 LEU H H 8.453 0.01 1 746 112 112 LEU HA H 3.904 0.02 1 747 112 112 LEU HB2 H 1.909 0.01 2 748 112 112 LEU HB3 H 1.624 0.03 2 749 112 112 LEU HD1 H 1.025 0 2 750 112 112 LEU HD2 H 0.999 0 2 751 112 112 LEU C C 178.42 0 1 752 112 112 LEU CA C 57.598 0.08 1 753 112 112 LEU CB C 41.003 0.05 1 754 112 112 LEU CD1 C 24.456 0.1 2 755 112 112 LEU CD2 C 24.026 0.04 2 756 112 112 LEU N N 118.157 0.06 1 757 113 113 LEU H H 7.683 0.01 1 758 113 113 LEU HA H 3.905 0 1 759 113 113 LEU HB2 H 1.445 0 1 760 113 113 LEU HB3 H 1.445 0 1 761 113 113 LEU C C 178.781 0 1 762 113 113 LEU CA C 57.491 0.04 1 763 113 113 LEU CB C 41.079 0.01 1 764 113 113 LEU N N 118.467 0.06 1 765 114 114 ILE H H 7.557 0.04 1 766 114 114 ILE HA H 3.455 0.01 1 767 114 114 ILE HB H 1.739 0.01 1 768 114 114 ILE HG2 H 0.27 0.01 1 769 114 114 ILE HD1 H 0.491 0.01 1 770 114 114 ILE C C 177.264 0 1 771 114 114 ILE CA C 65.079 0.06 1 772 114 114 ILE CB C 36.174 0.05 1 773 114 114 ILE CG2 C 14.839 0.05 1 774 114 114 ILE CD1 C 12.747 0.07 1 775 114 114 ILE N N 117.881 0.14 1 776 115 115 PHE H H 8.093 0.01 1 777 115 115 PHE HA H 4.568 0 1 778 115 115 PHE HB2 H 3.207 0 1 779 115 115 PHE HB3 H 3.207 0 1 780 115 115 PHE C C 179.163 0 1 781 115 115 PHE CA C 57.295 0.04 1 782 115 115 PHE CB C 36.562 0.02 1 783 115 115 PHE N N 115.876 0.08 1 784 116 116 LYS H H 9.024 0.01 1 785 116 116 LYS HA H 3.983 0 1 786 116 116 LYS C C 178.892 0 1 787 116 116 LYS CA C 59.326 0.02 1 788 116 116 LYS CB C 31.66 0.03 1 789 116 116 LYS N N 120.595 0.09 1 790 117 117 ALA H H 8.41 0.01 1 791 117 117 ALA HA H 4.852 0.01 1 792 117 117 ALA HB H 1.435 0.01 1 793 117 117 ALA C C 179.816 0 1 794 117 117 ALA CA C 54.019 0.03 1 795 117 117 ALA CB C 16.713 0.09 1 796 117 117 ALA N N 123.067 0.06 1 797 118 118 VAL H H 8.61 0.01 1 798 118 118 VAL HA H 3.852 0.01 1 799 118 118 VAL HB H 2.198 0.01 1 800 118 118 VAL HG1 H 1.156 0.01 2 801 118 118 VAL HG2 H 1.089 0 2 802 118 118 VAL C C 179.151 0 1 803 118 118 VAL CA C 65.469 0.06 1 804 118 118 VAL CB C 30.636 0.05 1 805 118 118 VAL CG1 C 22.159 0.05 2 806 118 118 VAL CG2 C 21.082 0.08 2 807 118 118 VAL N N 115.414 0.04 1 808 119 119 GLN H H 8.147 0.01 1 809 119 119 GLN HA H 4.172 0 1 810 119 119 GLN HB2 H 2.34 0 2 811 119 119 GLN HB3 H 2.104 0 2 812 119 119 GLN C C 179.015 0 1 813 119 119 GLN CA C 57.711 0.04 1 814 119 119 GLN CB C 26.525 0.02 1 815 119 119 GLN N N 118.969 0.04 1 816 120 120 ALA H H 7.94 0.01 1 817 120 120 ALA HA H 4.232 0.01 1 818 120 120 ALA HB H 1.641 0.01 1 819 120 120 ALA C C 180.257 0 1 820 120 120 ALA CA C 53.509 0.08 1 821 120 120 ALA CB C 17.517 0.04 1 822 120 120 ALA N N 121.102 0.05 1 823 121 121 ILE H H 7.694 0.01 1 824 121 121 ILE HA H 4.301 0.02 1 825 121 121 ILE HB H 2.413 0.01 1 826 121 121 ILE HG2 H 1.175 0 1 827 121 121 ILE HD1 H 1.229 0.01 1 828 121 121 ILE C C 176 0 1 829 121 121 ILE CA C 61.112 0.05 1 830 121 121 ILE CB C 38.167 0.1 1 831 121 121 ILE CG2 C 23.96 12 1 832 121 121 ILE CD1 C 13.984 0.03 1 833 121 121 ILE N N 111.071 0.11 1 834 122 122 ASN H H 8.143 0.06 1 835 122 122 ASN HA H 4.735 0 1 836 122 122 ASN HB2 H 3.131 0 2 837 122 122 ASN HB3 H 2.913 0 2 838 122 122 ASN C C 177.307 0 1 839 122 122 ASN CA C 53.153 0.13 1 840 122 122 ASN CB C 37.997 0.03 1 841 122 122 ASN N N 118.433 0.14 1 842 123 123 GLY H H 8.332 0.01 1 843 123 123 GLY HA2 H 3.888 0.12 2 844 123 123 GLY HA3 H 3.897 0.12 2 845 123 123 GLY C C 173.563 0 1 846 123 123 GLY CA C 45.07 0.02 1 847 123 123 GLY N N 108.153 0.05 1 848 124 124 ALA H H 7.908 0.01 1 849 124 124 ALA HA H 4.458 0.01 1 850 124 124 ALA HB H 1.339 0.01 1 851 124 124 ALA C C 177.348 0 1 852 124 124 ALA CA C 50.057 0.04 1 853 124 124 ALA CB C 19.221 0.03 1 854 124 124 ALA N N 122.701 0.03 1 855 125 125 GLU H H 8.593 0.01 1 856 125 125 GLU CA C 53.171 0.05 1 857 125 125 GLU CB C 28.209 0 1 858 125 125 GLU N N 123.442 0.04 1 859 126 126 PRO HA H 4.455 0 1 860 126 126 PRO HB2 H 2.158 0 2 861 126 126 PRO HB3 H 1.995 0 2 862 126 126 PRO C C 177.219 0 1 863 126 126 PRO CA C 61.781 0.05 1 864 126 126 PRO CB C 30.931 0.02 1 865 127 127 GLU H H 8.74 0.01 1 866 127 127 GLU HA H 4.132 0 1 867 127 127 GLU HB2 H 2.019 0 1 868 127 127 GLU HB3 H 2.019 0 1 869 127 127 GLU C C 176.07 0 1 870 127 127 GLU CA C 57 0.08 1 871 127 127 GLU CB C 29.152 0.01 1 872 127 127 GLU N N 122.212 0.05 1 873 128 128 ILE H H 7.473 0.01 1 874 128 128 ILE HA H 4.417 0.01 1 875 128 128 ILE HB H 1.722 0.01 1 876 128 128 ILE HG12 H 1.566 0.01 2 877 128 128 ILE HG13 H 1.208 0 2 878 128 128 ILE HG2 H 0.928 0 1 879 128 128 ILE HD1 H 0.816 0.01 1 880 128 128 ILE C C 174.467 0 1 881 128 128 ILE CA C 58.236 0.07 1 882 128 128 ILE CB C 39.083 0.05 1 883 128 128 ILE CG1 C 26.252 0.18 1 884 128 128 ILE CG2 C 15.888 0.03 1 885 128 128 ILE CD1 C 12.33 0.04 1 886 128 128 ILE N N 117.611 0.04 1 887 129 129 SER H H 9.12 0.01 1 888 129 129 SER HA H 4.393 0 1 889 129 129 SER HB2 H 4.113 0 1 890 129 129 SER HB3 H 4.113 0 1 891 129 129 SER C C 174.443 0 1 892 129 129 SER CA C 56.687 0.26 1 893 129 129 SER CB C 63.971 0.07 1 894 129 129 SER N N 122.872 0.07 1 895 130 130 ALA H H 8.723 0.01 1 896 130 130 ALA HA H 3.915 0.01 1 897 130 130 ALA HB H 1.492 0.01 1 898 130 130 ALA C C 178.709 0 1 899 130 130 ALA CA C 54.563 0.04 1 900 130 130 ALA CB C 17.992 0.06 1 901 130 130 ALA N N 124.283 0.05 1 902 131 131 GLU H H 9.291 0.01 1 903 131 131 GLU HA H 3.916 0 1 904 131 131 GLU HB2 H 2.045 0 1 905 131 131 GLU HB3 H 2.045 0 1 906 131 131 GLU C C 178.919 0 1 907 131 131 GLU CA C 60.095 0.03 1 908 131 131 GLU CB C 27.453 0.04 1 909 131 131 GLU N N 116.688 0.04 1 910 132 132 ASP H H 7.902 0.01 1 911 132 132 ASP CA C 56.142 0.02 1 912 132 132 ASP CB C 38.512 0 1 913 132 132 ASP N N 120.813 0.1 1 914 133 133 LEU HA H 4.073 0.01 1 915 133 133 LEU HB2 H 1.31 0.03 1 916 133 133 LEU HB3 H 1.31 0.03 1 917 133 133 LEU HD1 H 0.174 0.01 2 918 133 133 LEU HD2 H 0.653 0.01 2 919 133 133 LEU C C 178.462 0 1 920 133 133 LEU CA C 56.834 0.06 1 921 133 133 LEU CB C 40.198 0.1 1 922 133 133 LEU CD1 C 22.767 0.05 2 923 133 133 LEU CD2 C 22.636 0.05 2 924 134 134 ALA H H 8.699 0.01 1 925 134 134 ALA HA H 4.274 0.01 1 926 134 134 ALA HB H 1.595 0.01 1 927 134 134 ALA C C 176.791 0 1 928 134 134 ALA CA C 55.22 0.18 1 929 134 134 ALA CB C 16.394 0.06 1 930 134 134 ALA N N 120.829 0.04 1 931 135 135 ASP H H 7.977 0.01 1 932 135 135 ASP C C 177.986 0 1 933 135 135 ASP CA C 56.631 0.13 1 934 135 135 ASP CB C 39.206 0.13 1 935 135 135 ASP N N 117.35 0.04 1 936 136 136 ILE H H 8.26 0.01 1 937 136 136 ILE HA H 4.073 0 1 938 136 136 ILE HB H 2.214 0 1 939 136 136 ILE C C 178.77 0 1 940 136 136 ILE CA C 58.184 0.09 1 941 136 136 ILE CB C 32.002 0.07 1 942 136 136 ILE N N 119.889 0.05 1 943 137 137 VAL H H 8.287 0.01 1 944 137 137 VAL CA C 65.566 0.07 1 945 137 137 VAL CB C 30.984 0.19 1 946 137 137 VAL N N 117.044 0.06 1 947 138 138 PHE H H 8.435 0.01 1 948 138 138 PHE CA C 62.586 0.04 1 949 138 138 PHE CB C 38.047 0 1 950 138 138 PHE N N 118.481 0.04 1 951 147 147 GLY HA2 H 4.403 0 2 952 147 147 GLY HA3 H 3.849 0 2 953 147 147 GLY C C 172.873 0 1 954 147 147 GLY CA C 44.575 0.09 1 955 148 148 GLU H H 7.52 0.01 1 956 148 148 GLU CA C 53.222 0.04 1 957 148 148 GLU CB C 30.894 0 1 958 148 148 GLU N N 116.591 0.06 1 959 149 149 LEU HA H 4.937 0 1 960 149 149 LEU HB2 H 1.504 0 1 961 149 149 LEU HB3 H 1.504 0 1 962 149 149 LEU C C 175.788 0 1 963 149 149 LEU CA C 52.579 0 1 964 149 149 LEU CB C 45.484 0 1 965 150 150 SER H H 9.115 0.01 1 966 150 150 SER C C 175.261 0 1 967 150 150 SER CA C 56.093 0.09 1 968 150 150 SER CB C 63.998 0.01 1 969 150 150 SER N N 118.593 0.05 1 970 151 151 LEU H H 8.717 0.01 1 971 151 151 LEU HA H 3.818 0.01 1 972 151 151 LEU HB2 H 1.658 0.01 2 973 151 151 LEU HB3 H 1.394 0.02 2 974 151 151 LEU HD1 H 0.745 0.01 2 975 151 151 LEU HD2 H 0.695 0 2 976 151 151 LEU C C 178.926 0 1 977 151 151 LEU CA C 57.6 0.34 1 978 151 151 LEU CB C 40.161 0.08 1 979 151 151 LEU CD1 C 24.103 0.19 2 980 151 151 LEU CD2 C 23.495 0.03 2 981 151 151 LEU N N 124.142 0.05 1 982 152 152 GLU H H 8.597 0.01 1 983 152 152 GLU HA H 3.998 0 1 984 152 152 GLU HB2 H 1.985 0 1 985 152 152 GLU HB3 H 1.985 0 1 986 152 152 GLU C C 179.495 0 1 987 152 152 GLU CA C 58.949 0.11 1 988 152 152 GLU CB C 27.663 0.06 1 989 152 152 GLU N N 116.755 0.06 1 990 153 153 GLU H H 7.903 0.01 1 991 153 153 GLU CA C 57.727 0.03 1 992 153 153 GLU CB C 28.775 0 1 993 153 153 GLU N N 120.187 0.1 1 994 156 156 GLU HA H 4.009 0 1 995 156 156 GLU HB2 H 2.04 0 1 996 156 156 GLU HB3 H 2.04 0 1 997 156 156 GLU C C 179.597 0 1 998 156 156 GLU CA C 57.967 0.07 1 999 156 156 GLU CB C 28.148 0 1 1000 157 157 GLY H H 8.052 0.01 1 1001 157 157 GLY HA2 H 3.589 0.01 1 1002 157 157 GLY HA3 H 3.589 0.01 1 1003 157 157 GLY C C 179.555 0 1 1004 157 157 GLY CA C 46.001 0.02 1 1005 157 157 GLY N N 107.692 0.05 1 1006 158 158 ILE H H 8.009 0.02 1 1007 158 158 ILE HA H 3.814 0.01 1 1008 158 158 ILE HB H 1.761 0 1 1009 158 158 ILE HG12 H 1.417 0.03 2 1010 158 158 ILE HG13 H 1.063 0 2 1011 158 158 ILE HG2 H 0.567 0.01 1 1012 158 158 ILE HD1 H 0.549 0 1 1013 158 158 ILE C C 177.174 0 1 1014 158 158 ILE CA C 63.202 0.08 1 1015 158 158 ILE CB C 36.396 0.08 1 1016 158 158 ILE CG1 C 25.986 0.11 1 1017 158 158 ILE CG2 C 17.36 0.1 1 1018 158 158 ILE CD1 C 13.459 0.02 1 1019 158 158 ILE N N 117.387 0.07 1 1020 159 159 SER H H 7.422 0.02 1 1021 159 159 SER HA H 4.162 0 1 1022 159 159 SER HB2 H 3.931 0.01 1 1023 159 159 SER HB3 H 3.931 0.01 1 1024 159 159 SER C C 175.155 0 1 1025 159 159 SER CA C 59.489 0.11 1 1026 159 159 SER CB C 62.184 0.06 1 1027 159 159 SER N N 113.969 0.07 1 1028 160 160 ALA H H 7.311 0.01 1 1029 160 160 ALA HA H 4.365 0 1 1030 160 160 ALA HB H 1.496 0.01 1 1031 160 160 ALA C C 176.652 0 1 1032 160 160 ALA CA C 51.395 0.06 1 1033 160 160 ALA CB C 18.278 0.03 1 1034 160 160 ALA N N 120.928 0.05 1 1035 161 161 ASP H H 7.198 0.01 1 1036 161 161 ASP HA H 4.874 0 1 1037 161 161 ASP HB2 H 2.617 0.31 2 1038 161 161 ASP HB3 H 2.62 0.3 2 1039 161 161 ASP C C 174.943 0 1 1040 161 161 ASP CA C 52.02 0.07 1 1041 161 161 ASP CB C 41.984 0.04 1 1042 161 161 ASP N N 119.053 0.04 1 1043 162 162 GLU H H 8.92 0.01 1 1044 162 162 GLU HA H 4.115 0 1 1045 162 162 GLU HB2 H 2.084 0 1 1046 162 162 GLU HB3 H 2.084 0 1 1047 162 162 GLU C C 178.613 0 1 1048 162 162 GLU CA C 58.326 0.06 1 1049 162 162 GLU CB C 28.556 0.03 1 1050 162 162 GLU N N 126.902 0.06 1 1051 163 163 LYS H H 8.167 0.01 1 1052 163 163 LYS CA C 57.749 0.05 1 1053 163 163 LYS CB C 30.304 0 1 1054 163 163 LYS N N 120.23 0.05 1 1055 164 164 ILE HA H 3.727 0 1 1056 164 164 ILE HB H 1.982 0 1 1057 164 164 ILE C C 178.281 0 1 1058 164 164 ILE CA C 63.88 0.05 1 1059 164 164 ILE CB C 35.974 0 1 1060 165 165 SER H H 8.473 0.01 1 1061 165 165 SER HA H 4.026 0.08 1 1062 165 165 SER HB2 H 3.997 0 1 1063 165 165 SER HB3 H 3.997 0 1 1064 165 165 SER C C 178.03 0 1 1065 165 165 SER CA C 62.544 0.18 1 1066 165 165 SER CB C 61.632 0.01 1 1067 165 165 SER N N 115.138 0.07 1 1068 166 166 GLU H H 8.336 0.01 1 1069 166 166 GLU HA H 4.144 0 1 1070 166 166 GLU HB2 H 2.182 0 1 1071 166 166 GLU HB3 H 2.182 0 1 1072 166 166 GLU C C 178.814 0 1 1073 166 166 GLU CA C 58.805 0.08 1 1074 166 166 GLU CB C 28.426 0.01 1 1075 166 166 GLU N N 124.097 0.07 1 1076 167 167 MET H H 8.103 0.01 1 1077 167 167 MET HA H 4.225 0.01 1 1078 167 167 MET HB2 H 2.188 0 2 1079 167 167 MET HB3 H 2.027 0 2 1080 167 167 MET HG2 H 2.524 0 1 1081 167 167 MET HG3 H 2.735 0 1 1082 167 167 MET HE H 1.384 0 1 1083 167 167 MET C C 180.289 0 1 1084 167 167 MET CA C 57.951 0.04 1 1085 167 167 MET CB C 31.799 0.09 1 1086 167 167 MET CG C 30.89 0 1 1087 167 167 MET CE C 18.3 0 1 1088 167 167 MET N N 119.302 0.08 1 1089 168 168 LEU H H 8.76 0.01 1 1090 168 168 LEU HA H 4.053 0.01 1 1091 168 168 LEU HB2 H 2.042 0.01 2 1092 168 168 LEU HB3 H 1.48 0.18 2 1093 168 168 LEU HD1 H 0.971 0.01 2 1094 168 168 LEU C C 177.947 0 1 1095 168 168 LEU CA C 56.804 0.07 1 1096 168 168 LEU CB C 40.75 0.08 1 1097 168 168 LEU CD1 C 22.638 0.04 2 1098 168 168 LEU N N 120.561 0.05 1 1099 169 169 THR H H 8.401 0.01 1 1100 169 169 THR HA H 3.77 0.07 1 1101 169 169 THR HB H 4.461 0.02 1 1102 169 169 THR HG2 H 1.287 0.01 1 1103 169 169 THR C C 176.85 0 1 1104 169 169 THR CA C 66.318 0.09 1 1105 169 169 THR CB C 67.414 0.04 1 1106 169 169 THR CG2 C 19.746 0.06 1 1107 169 169 THR N N 117.399 0.07 1 1108 170 170 GLN H H 7.698 0.02 1 1109 170 170 GLN HA H 4.243 0 1 1110 170 170 GLN HB2 H 2.169 0 1 1111 170 170 GLN HB3 H 2.169 0 1 1112 170 170 GLN C C 179.195 0 1 1113 170 170 GLN CA C 57.584 0.03 1 1114 170 170 GLN CB C 27.414 0.06 1 1115 170 170 GLN N N 118.283 0.08 1 1116 171 171 SER H H 8.095 0.01 1 1117 171 171 SER HA H 4.175 0.02 1 1118 171 171 SER HB2 H 3.842 0 2 1119 171 171 SER HB3 H 3.709 0 2 1120 171 171 SER C C 174.364 0 1 1121 171 171 SER CA C 61.272 0.08 1 1122 171 171 SER CB C 62.302 0 1 1123 171 171 SER N N 115.213 0.05 1 1124 172 172 LEU H H 7.623 0.01 1 1125 172 172 LEU HA H 4.461 0.01 1 1126 172 172 LEU HB2 H 1.852 0.05 1 1127 172 172 LEU HB3 H 1.852 0.05 1 1128 172 172 LEU HD1 H 0.642 0.01 2 1129 172 172 LEU HD2 H 0.842 0.01 2 1130 172 172 LEU C C 176.843 0 1 1131 172 172 LEU CA C 53.022 0.05 1 1132 172 172 LEU CB C 39.527 0.07 1 1133 172 172 LEU CD1 C 21.623 0.06 2 1134 172 172 LEU CD2 C 24.533 0.05 2 1135 172 172 LEU N N 114.471 0.07 1 1136 173 173 ASP H H 7.252 0.01 1 1137 173 173 ASP HA H 4.644 0.01 1 1138 173 173 ASP HB2 H 3.127 0 2 1139 173 173 ASP HB3 H 2.846 0 2 1140 173 173 ASP C C 176.418 0 1 1141 173 173 ASP CA C 52.964 0.06 1 1142 173 173 ASP CB C 38.829 0.13 1 1143 173 173 ASP N N 121.394 0.07 1 1144 174 174 LEU H H 8.667 0.01 1 1145 174 174 LEU HA H 4.74 0.01 1 1146 174 174 LEU HB2 H 2.018 0.02 2 1147 174 174 LEU HB3 H 1.72 0 2 1148 174 174 LEU HD1 H 0.946 0.01 2 1149 174 174 LEU HD2 H 0.802 0.01 2 1150 174 174 LEU C C 178.472 0 1 1151 174 174 LEU CA C 54.224 0.06 1 1152 174 174 LEU CB C 41.285 0.06 1 1153 174 174 LEU CD1 C 21.66 0.05 2 1154 174 174 LEU CD2 C 25.133 0.07 2 1155 174 174 LEU N N 126.313 0.06 1 1156 175 175 THR H H 8.345 0.01 1 1157 175 175 THR HA H 3.926 0.01 1 1158 175 175 THR HB H 4.382 0.01 1 1159 175 175 THR HG2 H 1.191 0 1 1160 175 175 THR C C 174.064 0 1 1161 175 175 THR CA C 60.34 0.08 1 1162 175 175 THR CB C 67.911 0.08 1 1163 175 175 THR CG2 C 20.874 0.02 1 1164 175 175 THR N N 109.753 0.06 1 1165 176 176 ARG H H 7.559 0.01 1 1166 176 176 ARG HA H 4.221 0.01 1 1167 176 176 ARG HB2 H 1.835 0.01 1 1168 176 176 ARG HB3 H 1.835 0.01 1 1169 176 176 ARG C C 176.446 0 1 1170 176 176 ARG CA C 56.02 0.03 1 1171 176 176 ARG CB C 29.468 0.03 1 1172 176 176 ARG CD C 42.479 0 1 1173 176 176 ARG N N 122.422 0.05 1 1174 177 177 ILE H H 8.434 0.01 1 1175 177 177 ILE HA H 4.362 0.01 1 1176 177 177 ILE HB H 1.926 0.01 1 1177 177 177 ILE HG12 H 1.599 0.01 2 1178 177 177 ILE HG13 H 1.267 0.03 2 1179 177 177 ILE HD1 H 0.924 0.01 1 1180 177 177 ILE C C 176.535 0 1 1181 177 177 ILE CA C 59.532 0.06 1 1182 177 177 ILE CB C 37.292 0.06 1 1183 177 177 ILE CG1 C 26.206 0.23 1 1184 177 177 ILE CG2 C 16.426 0 1 1185 177 177 ILE CD1 C 11.496 0.03 1 1186 177 177 ILE N N 123.597 0.1 1 1187 178 178 VAL H H 8.453 0.01 1 1188 178 178 VAL HA H 4.304 0.01 1 1189 178 178 VAL HB H 2.138 0.01 1 1190 178 178 VAL HG1 H 0.978 0.01 2 1191 178 178 VAL HG2 H 0.996 0 2 1192 178 178 VAL C C 175.933 0 1 1193 178 178 VAL CA C 60.768 0.09 1 1194 178 178 VAL CB C 31.856 0.08 1 1195 178 178 VAL CG1 C 19.11 0.02 2 1196 178 178 VAL CG2 C 20.272 0.06 2 1197 178 178 VAL N N 125.512 0.06 1 1198 179 179 SER H H 8.342 0.01 1 1199 179 179 SER HA H 4.444 0.09 1 1200 179 179 SER HB2 H 3.842 0.01 1 1201 179 179 SER HB3 H 3.842 0.01 1 1202 179 179 SER C C 174.22 0 1 1203 179 179 SER CA C 57.623 0.4 1 1204 179 179 SER CB C 62.888 0.05 1 1205 179 179 SER N N 119.017 0.05 1 1206 180 180 ASN H H 8.454 0.01 1 1207 180 180 ASN HA H 4.724 0 1 1208 180 180 ASN HB2 H 2.779 0 1 1209 180 180 ASN HB3 H 2.779 0 1 1210 180 180 ASN C C 175.143 0 1 1211 180 180 ASN CA C 52.23 0.13 1 1212 180 180 ASN CB C 37.639 0.06 1 1213 180 180 ASN N N 121.133 0.04 1 1214 181 181 ILE H H 7.871 0.01 1 1215 181 181 ILE HA H 4.075 0.02 1 1216 181 181 ILE HB H 1.731 0.01 1 1217 181 181 ILE HG12 H 1.155 0.01 2 1218 181 181 ILE HG13 H 1.012 0.02 2 1219 181 181 ILE HG2 H 0.736 0.01 1 1220 181 181 ILE HD1 H 0.778 0.01 1 1221 181 181 ILE C C 175.87 0 1 1222 181 181 ILE CA C 60.484 0.09 1 1223 181 181 ILE CB C 37.429 0.08 1 1224 181 181 ILE CG1 C 25.611 0.04 1 1225 181 181 ILE CG2 C 16.18 0.02 1 1226 181 181 ILE CD1 C 11.986 0.02 1 1227 181 181 ILE N N 119.591 0.04 1 1228 182 182 TYR H H 8.1 0 1 1229 182 182 TYR HA H 4.595 0.01 1 1230 182 182 TYR HB2 H 3.096 0 2 1231 182 182 TYR HB3 H 2.918 0.08 2 1232 182 182 TYR C C 175.524 0 1 1233 182 182 TYR CA C 56.65 0.1 1 1234 182 182 TYR CB C 37.438 0.04 1 1235 182 182 TYR N N 123.161 0.04 1 1236 183 183 ASN H H 8.167 0.01 1 1237 183 183 ASN HA H 4.664 0.03 1 1238 183 183 ASN HB2 H 2.782 0.01 1 1239 183 183 ASN HB3 H 2.782 0.01 1 1240 183 183 ASN CA C 52.111 0.01 1 1241 183 183 ASN CB C 37.904 0 1 1242 183 183 ASN N N 120.675 0.04 1 1243 184 184 ASP HA H 4.559 0 1 1244 184 184 ASP HB2 H 2.675 0 1 1245 184 184 ASP HB3 H 2.675 0 1 1246 184 184 ASP C C 176.37 0 1 1247 184 184 ASP CA C 53.513 0.13 1 1248 184 184 ASP CB C 39.884 0.03 1 1249 185 185 SER H H 8.131 0.01 1 1250 185 185 SER HA H 4.412 0.01 1 1251 185 185 SER HB2 H 3.822 0.01 1 1252 185 185 SER HB3 H 3.822 0.01 1 1253 185 185 SER C C 174.185 0 1 1254 185 185 SER CA C 57.564 0.03 1 1255 185 185 SER CB C 62.77 0.06 1 1256 185 185 SER N N 115.477 0.04 1 1257 186 186 TYR H H 8.077 0.01 1 1258 186 186 TYR HA H 4.516 0.05 1 1259 186 186 TYR HB2 H 3.006 0.01 1 1260 186 186 TYR HB3 H 3.006 0.01 1 1261 186 186 TYR C C 175.449 0 1 1262 186 186 TYR CA C 57.189 0.12 1 1263 186 186 TYR CB C 37.449 0.04 1 1264 186 186 TYR N N 122.551 0.04 1 1265 187 187 ILE H H 7.788 0 1 1266 187 187 ILE HA H 4.077 0.01 1 1267 187 187 ILE HB H 1.771 0.03 1 1268 187 187 ILE HG12 H 1.42 0.01 2 1269 187 187 ILE HG13 H 1.094 0.07 2 1270 187 187 ILE HG2 H 0.858 0.01 1 1271 187 187 ILE HD1 H 0.846 0.01 1 1272 187 187 ILE C C 175.727 0 1 1273 187 187 ILE CA C 59.657 0.06 1 1274 187 187 ILE CB C 37.813 0.12 1 1275 187 187 ILE CG1 C 26.056 0.04 1 1276 187 187 ILE CG2 C 16.21 0.03 1 1277 187 187 ILE CD1 C 11.67 0.07 1 1278 187 187 ILE N N 123.641 0.04 1 1279 188 188 GLU H H 8.318 0.01 1 1280 188 188 GLU HA H 4.166 0.05 1 1281 188 188 GLU HB2 H 1.977 0.01 1 1282 188 188 GLU HB3 H 1.977 0.01 1 1283 188 188 GLU HG2 H 2.278 0.01 1 1284 188 188 GLU HG3 H 2.278 0.01 1 1285 188 188 GLU C C 176.389 0 1 1286 188 188 GLU CA C 55.599 0.04 1 1287 188 188 GLU CB C 28.989 0.02 1 1288 188 188 GLU CG C 35.103 0 1 1289 188 188 GLU N N 125.353 0.04 1 1290 189 189 GLN H H 8.311 0.01 1 1291 189 189 GLN HA H 4.305 0.06 1 1292 189 189 GLN HB2 H 2.07 0 2 1293 189 189 GLN HB3 H 2.004 0.01 2 1294 189 189 GLN HG2 H 2.363 0.02 1 1295 189 189 GLN HG3 H 2.363 0.02 1 1296 189 189 GLN C C 175.997 0 1 1297 189 189 GLN CA C 54.753 0.07 1 1298 189 189 GLN CB C 28.581 0.05 1 1299 189 189 GLN CG C 32.608 0 1 1300 189 189 GLN N N 122.091 0.05 1 1301 190 190 GLU H H 8.457 0.02 1 1302 190 190 GLU HA H 4.262 0.02 1 1303 190 190 GLU HB2 H 2.05 0.01 2 1304 190 190 GLU HB3 H 1.957 0 2 1305 190 190 GLU HG2 H 2.276 0 1 1306 190 190 GLU HG3 H 2.276 0 1 1307 190 190 GLU C C 176.203 0 1 1308 190 190 GLU CA C 55.537 0.03 1 1309 190 190 GLU CB C 29.053 0.07 1 1310 190 190 GLU CG C 35.102 0 1 1311 190 190 GLU N N 122.845 0.04 1 1312 191 191 ALA H H 8.255 0 1 1313 191 191 ALA HA H 4.311 0.02 1 1314 191 191 ALA HB H 1.399 0.01 1 1315 191 191 ALA C C 177.565 0 1 1316 191 191 ALA CA C 51.35 0.14 1 1317 191 191 ALA CB C 18.275 0.02 1 1318 191 191 ALA N N 125.271 0.04 1 1319 192 192 GLU H H 8.304 0.01 1 1320 192 192 GLU HA H 4.276 0.01 1 1321 192 192 GLU HB2 H 1.962 0.01 1 1322 192 192 GLU HB3 H 1.962 0.01 1 1323 192 192 GLU HG2 H 2.25 0.01 1 1324 192 192 GLU HG3 H 2.25 0.01 1 1325 192 192 GLU C C 176.284 0 1 1326 192 192 GLU CA C 55.355 0.05 1 1327 192 192 GLU CB C 29.231 0.01 1 1328 192 192 GLU CG C 35.072 0 1 1329 192 192 GLU N N 120.834 0.05 1 1330 193 193 ILE H H 8.201 0 1 1331 193 193 ILE HA H 4.191 0.03 1 1332 193 193 ILE HB H 1.857 0 1 1333 193 193 ILE HG12 H 1.182 0.01 2 1334 193 193 ILE HG13 H 1.489 0.02 2 1335 193 193 ILE HG2 H 0.883 0 1 1336 193 193 ILE HD1 H 0.869 0 1 1337 193 193 ILE C C 176.074 0 1 1338 193 193 ILE CA C 59.815 0.03 1 1339 193 193 ILE CB C 37.374 0.05 1 1340 193 193 ILE CG1 C 26.07 0 1 1341 193 193 ILE CG2 C 16.32 0.02 1 1342 193 193 ILE CD1 C 11.512 0.02 1 1343 193 193 ILE N N 123.217 0.04 1 1344 194 194 ILE H H 8.272 0.01 1 1345 194 194 ILE HA H 4.19 0.01 1 1346 194 194 ILE HB H 1.863 0.01 1 1347 194 194 ILE HG12 H 1.485 0.01 2 1348 194 194 ILE HG13 H 1.196 0.01 2 1349 194 194 ILE HG2 H 0.898 0.02 1 1350 194 194 ILE HD1 H 0.887 0.01 1 1351 194 194 ILE C C 176.222 0 1 1352 194 194 ILE CA C 59.67 0.04 1 1353 194 194 ILE CB C 37.433 0.05 1 1354 194 194 ILE CG1 C 26.057 0.04 1 1355 194 194 ILE CG2 C 16.366 0.02 1 1356 194 194 ILE CD1 C 11.456 0 1 1357 194 194 ILE N N 126.578 0.04 1 1358 195 195 GLU H H 8.491 0.01 1 1359 195 195 GLU HA H 4.305 0.01 1 1360 195 195 GLU HB2 H 2.019 0.02 2 1361 195 195 GLU HB3 H 1.958 0.01 2 1362 195 195 GLU HG2 H 2.281 0.02 1 1363 195 195 GLU HG3 H 2.281 0.02 1 1364 195 195 GLU C C 176.114 0 1 1365 195 195 GLU CA C 55.465 0.06 1 1366 195 195 GLU CB C 29.279 0.1 1 1367 195 195 GLU CG C 35.107 0.05 1 1368 195 195 GLU N N 126.137 0.04 1 1369 196 196 ASP H H 8.358 0 1 1370 196 196 ASP HA H 4.582 0.01 1 1371 196 196 ASP HB2 H 2.663 0.01 1 1372 196 196 ASP HB3 H 2.663 0.01 1 1373 196 196 ASP C C 176.106 0 1 1374 196 196 ASP CA C 53.314 0.14 1 1375 196 196 ASP CB C 39.988 0.02 1 1376 196 196 ASP N N 122.064 0.04 1 1377 197 197 GLN H H 8.269 0.01 1 1378 197 197 GLN HA H 4.346 0.01 1 1379 197 197 GLN HB2 H 2.164 0.01 2 1380 197 197 GLN HB3 H 1.984 0.01 2 1381 197 197 GLN HG2 H 2.382 0.01 1 1382 197 197 GLN HG3 H 2.382 0.01 1 1383 197 197 GLN C C 174.824 0 1 1384 197 197 GLN CA C 54.553 0.03 1 1385 197 197 GLN CB C 28.477 0.03 1 1386 197 197 GLN CG C 32.64 0.02 1 1387 197 197 GLN N N 121.194 0.04 1 1388 198 198 ALA H H 7.994 0.01 1 1389 198 198 ALA HA H 4.125 0.04 1 1390 198 198 ALA HB H 1.365 0.01 1 1391 198 198 ALA CA C 52.815 0.02 1 1392 198 198 ALA CB C 18.922 0.05 1 1393 198 198 ALA N N 131.589 0.03 1 stop_ save_