data_18099 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Ca2+-CIB1 in complex with the cytoplasmic domain of the integrin aIIb subunit ; _BMRB_accession_number 18099 _BMRB_flat_file_name bmr18099.str _Entry_type original _Submission_date 2011-11-22 _Accession_date 2011-11-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'This is the structure of the calcium bound CIB1 (Ca2+-CIB1) in complex with a peptide representing the cytoplasmic domain of the human integrin aIIb subunit. The peptide has a sequence of:Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Hao . . 2 Vogel Hans J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 229 "13C chemical shifts" 591 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-14 update BMRB 'update entry citation' 2012-02-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the activation of platelet integrin IIb3 by calcium- and integrin-binding protein 1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22283712 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Hao . . 2 Vogel Hans J. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 134 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3864 _Page_last 3872 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CIB1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CIB1 $CIB1 'CALCIUM ION_1' $CA 'CALCIUM ION_2' $CA 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_CIB1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CIB1 _Molecular_mass 21093.814 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 214 _Mol_residue_sequence ; MGHHHHHHHHHHSSGHIDDD DKHMGGSGSRLSKELLAEYQ DLTFLTKQEILLAHRRFCEL LPQEQRSVESSLRAQVPFEQ ILSLPELKANPFKERICRVF STSPAKDSLSFEDFLDLLSV FSDTATPDIKSHYAFRIFDF DDDGTLNREDLSRLVNCLTG EGEDTRLSASEMKQLIDNIL EESDIDRDGTINLSEFQHVI SRSPDFASSFKIVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -22 MET 2 -21 GLY 3 -20 HIS 4 -19 HIS 5 -18 HIS 6 -17 HIS 7 -16 HIS 8 -15 HIS 9 -14 HIS 10 -13 HIS 11 -12 HIS 12 -11 HIS 13 -10 SER 14 -9 SER 15 -8 GLY 16 -7 HIS 17 -6 ILE 18 -5 ASP 19 -4 ASP 20 -3 ASP 21 -2 ASP 22 -1 LYS 23 0 HIS 24 1 MET 25 2 GLY 26 3 GLY 27 4 SER 28 5 GLY 29 6 SER 30 7 ARG 31 8 LEU 32 9 SER 33 10 LYS 34 11 GLU 35 12 LEU 36 13 LEU 37 14 ALA 38 15 GLU 39 16 TYR 40 17 GLN 41 18 ASP 42 19 LEU 43 20 THR 44 21 PHE 45 22 LEU 46 23 THR 47 24 LYS 48 25 GLN 49 26 GLU 50 27 ILE 51 28 LEU 52 29 LEU 53 30 ALA 54 31 HIS 55 32 ARG 56 33 ARG 57 34 PHE 58 35 CYS 59 36 GLU 60 37 LEU 61 38 LEU 62 39 PRO 63 40 GLN 64 41 GLU 65 42 GLN 66 43 ARG 67 44 SER 68 45 VAL 69 46 GLU 70 47 SER 71 48 SER 72 49 LEU 73 50 ARG 74 51 ALA 75 52 GLN 76 53 VAL 77 54 PRO 78 55 PHE 79 56 GLU 80 57 GLN 81 58 ILE 82 59 LEU 83 60 SER 84 61 LEU 85 62 PRO 86 63 GLU 87 64 LEU 88 65 LYS 89 66 ALA 90 67 ASN 91 68 PRO 92 69 PHE 93 70 LYS 94 71 GLU 95 72 ARG 96 73 ILE 97 74 CYS 98 75 ARG 99 76 VAL 100 77 PHE 101 78 SER 102 79 THR 103 80 SER 104 81 PRO 105 82 ALA 106 83 LYS 107 84 ASP 108 85 SER 109 86 LEU 110 87 SER 111 88 PHE 112 89 GLU 113 90 ASP 114 91 PHE 115 92 LEU 116 93 ASP 117 94 LEU 118 95 LEU 119 96 SER 120 97 VAL 121 98 PHE 122 99 SER 123 100 ASP 124 101 THR 125 102 ALA 126 103 THR 127 104 PRO 128 105 ASP 129 106 ILE 130 107 LYS 131 108 SER 132 109 HIS 133 110 TYR 134 111 ALA 135 112 PHE 136 113 ARG 137 114 ILE 138 115 PHE 139 116 ASP 140 117 PHE 141 118 ASP 142 119 ASP 143 120 ASP 144 121 GLY 145 122 THR 146 123 LEU 147 124 ASN 148 125 ARG 149 126 GLU 150 127 ASP 151 128 LEU 152 129 SER 153 130 ARG 154 131 LEU 155 132 VAL 156 133 ASN 157 134 CYS 158 135 LEU 159 136 THR 160 137 GLY 161 138 GLU 162 139 GLY 163 140 GLU 164 141 ASP 165 142 THR 166 143 ARG 167 144 LEU 168 145 SER 169 146 ALA 170 147 SER 171 148 GLU 172 149 MET 173 150 LYS 174 151 GLN 175 152 LEU 176 153 ILE 177 154 ASP 178 155 ASN 179 156 ILE 180 157 LEU 181 158 GLU 182 159 GLU 183 160 SER 184 161 ASP 185 162 ILE 186 163 ASP 187 164 ARG 188 165 ASP 189 166 GLY 190 167 THR 191 168 ILE 192 169 ASN 193 170 LEU 194 171 SER 195 172 GLU 196 173 PHE 197 174 GLN 198 175 HIS 199 176 VAL 200 177 ILE 201 178 SER 202 179 ARG 203 180 SER 204 181 PRO 205 182 ASP 206 183 PHE 207 184 ALA 208 185 SER 209 186 SER 210 187 PHE 211 188 LYS 212 189 ILE 213 190 VAL 214 191 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 BMRB 17328 CIB1 100.00 214 100.00 100.00 1.46e-151 BMRB 17329 CIB1 100.00 214 100.00 100.00 1.46e-151 PDB 1DGU "Homology-Based Model Of Calcium-Saturated Cib (Calcium-And Integrin-Binding Protein)" 85.51 183 100.00 100.00 3.47e-126 PDB 1DGV "Homology-Based Model Of Apo Cib (Calcium-And Integrin- Binding Protein)" 85.51 183 100.00 100.00 3.47e-126 PDB 1XO5 "Crystal Structure Of Cib1, An Ef-Hand, Integrin And Kinase- Binding Protein" 85.51 183 100.00 100.00 3.47e-126 PDB 1Y1A "Crystal Structure Of Calcium And Integrin Binding Protein" 85.51 183 100.00 100.00 3.47e-126 PDB 2L4H "The Solution Structure Of Calcium Bound Cib1" 100.00 214 100.00 100.00 1.46e-151 PDB 2L4I "The Solution Structure Of Magnesium Bound Cib1" 100.00 214 100.00 100.00 1.46e-151 PDB 2LM5 "Solution Structure Of Ca2+-cib1 In Complex With The Cytoplasmic Domain Of The Integrin Aiib Subunit" 100.00 214 100.00 100.00 1.46e-151 DBJ BAA36281 "KIP [Homo sapiens]" 89.25 191 99.48 100.00 2.09e-132 DBJ BAG70090 "calcium and integrin binding 1 [Homo sapiens]" 89.25 191 100.00 100.00 6.93e-133 DBJ BAG70220 "calcium and integrin binding 1 [Homo sapiens]" 89.25 191 100.00 100.00 6.93e-133 DBJ BAG72967 "calcium and integrin binding 1 [synthetic construct]" 89.25 191 100.00 100.00 6.93e-133 EMBL CAG33236 "CIB1 [Homo sapiens]" 89.25 191 99.48 99.48 4.90e-132 GB AAB39758 "Snk interacting protein 2-28 [Homo sapiens]" 89.25 191 99.48 100.00 2.09e-132 GB AAB53387 "DNA-PK interaction protein [Homo sapiens]" 89.25 191 99.48 100.00 2.09e-132 GB AAC51106 "calcium and integrin binding protein CIB [Homo sapiens]" 89.25 191 100.00 100.00 6.93e-133 GB AAH00846 "Calcium and integrin binding 1 (calmyrin) [Homo sapiens]" 89.25 191 100.00 100.00 6.93e-133 GB ABM82122 "calcium and integrin binding 1 (calmyrin) [synthetic construct]" 89.25 191 100.00 100.00 6.93e-133 REF NP_006375 "calcium and integrin-binding protein 1 isoform b [Homo sapiens]" 89.25 191 100.00 100.00 6.93e-133 REF XP_001096008 "PREDICTED: calcium and integrin-binding protein 1 isoform 1 [Macaca mulatta]" 89.25 191 97.38 98.43 6.17e-129 REF XP_003268547 "PREDICTED: calcium and integrin-binding protein 1 [Nomascus leucogenys]" 89.25 191 97.91 99.48 6.21e-130 REF XP_003807774 "PREDICTED: calcium and integrin-binding protein 1 isoform X4 [Pan paniscus]" 89.25 191 100.00 100.00 6.93e-133 REF XP_003901434 "PREDICTED: calcium and integrin-binding protein 1 isoform X4 [Papio anubis]" 89.25 191 97.91 98.43 8.26e-130 SP Q99828 "RecName: Full=Calcium and integrin-binding protein 1; Short=CIB; AltName: Full=Calcium- and integrin-binding protein; Short=CIB" 89.25 191 100.00 100.00 6.93e-133 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Dec 8 16:53:32 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CIB1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $CIB1 'recombinant technology' . Escherichia coli . pET-19b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_backboneAssignment _Saveframe_category sample _Sample_type solution _Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CIB1 0.5 mM '[U-13C; U-15N; U-2H]' DTT 5 mM [U-2H] $CA 2 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' HEPES 50 mM 'natural abundance' 'aIIb peptide' 0.6 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_MethylAssignment _Saveframe_category sample _Sample_type solution _Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CIB1 0.5 mM '[U-13C; U-2H], I/L/V methyl [1H,13C]' DTT 5 mM [U-2H] $CA 2 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' HEPES 50 mM 'natural abundance' 'aIIb peptide' 0.6 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_MethylSteroAssignment _Saveframe_category sample _Sample_type solution _Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CIB1 0.5 mM '[U-10% 13C]' DTT 5 mM [U-2H] $CA 2 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' HEPES 50 mM 'natural abundance' 'aIIb peptide' 0.6 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_methylCrossSat _Saveframe_category sample _Sample_type solution _Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CIB1 0.5 mM '[U-2H], I/L/V methyl [1H,13C]' DTT 5 mM [U-2H] $CA 2 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' HEPES 50 mM 'natural abundance' 'aIIb peptide' 0.6 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_backboneRDC_pf1 _Saveframe_category sample _Sample_type solution _Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CIB1 0.5 mM '[U-13C; U-15N; U-2H]' DTT 5 mM [U-2H] $CA 2 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' HEPES 50 mM 'natural abundance' 'aIIb peptide' 0.6 mM 'natural abundance' 'pf1 phage' 14 mg/mL 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_backboneRDC_PEG _Saveframe_category sample _Sample_type solution _Details 'aIIb peptide sequence :Ac-LVLAMWKVGFFKRNRPPLEEDDEEGQ-OH' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CIB1 0.5 mM '[U-13C; U-15N; U-2H]' DTT 5 mM [U-2H] $CA 2 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' HEPES 50 mM 'natural abundance' 'aIIb peptide' 0.6 mM 'natural abundance' 'C12E5/glycerol (0.96/1)' 5 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $backboneAssignment save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $backboneAssignment save_ save_3D_HCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $backboneAssignment save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $backboneAssignment save_ save_3D_HNCO_type_RDC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO type RDC' _Sample_label $backboneRDC_pf1 save_ save_2D_1H-15N_HSQC_IPAP_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC IPAP' _Sample_label $backboneRDC_pf1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $MethylAssignment save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $MethylSteroAssignment save_ save_3D_HNCO_type_RDC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO type RDC' _Sample_label $backboneRDC_PEG 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' 0.2 . M pH 7.5 0.1 pH pressure 1 . atm temperature 310 . 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 '3D HNCACB' '3D HNCO' '3D HCACO' '3D HN(COCA)CB' stop_ loop_ _Sample_label $backboneAssignment stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CIB1 _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 7 30 ARG C C 175.8941 0.2 1 2 7 30 ARG CA C 55.0077 0.2 1 3 7 30 ARG CB C 31.2044 0.2 1 4 8 31 LEU H H 7.8985 0.01 1 5 8 31 LEU HD1 H 0.6397 0.01 2 6 8 31 LEU HD2 H 0.4445 0.01 2 7 8 31 LEU C C 176.2041 0.2 1 8 8 31 LEU CA C 55.0657 0.2 1 9 8 31 LEU CB C 41.7205 0.2 1 10 8 31 LEU CD1 C 25.4209 0.2 2 11 8 31 LEU CD2 C 22.9841 0.2 2 12 8 31 LEU N N 121.7177 0.1 1 13 9 32 SER H H 7.6898 0.01 1 14 9 32 SER C C 174.6365 0.2 1 15 9 32 SER CA C 57.0778 0.2 1 16 9 32 SER CB C 64.5132 0.2 1 17 9 32 SER N N 117.0526 0.1 1 18 10 33 LYS C C 178.9676 0.2 1 19 10 33 LYS CA C 59.0511 0.2 1 20 10 33 LYS CB C 31.3375 0.2 1 21 11 34 GLU H H 8.7195 0.01 1 22 11 34 GLU C C 178.9676 0.2 1 23 11 34 GLU CA C 59.6070 0.2 1 24 11 34 GLU CB C 27.9671 0.2 1 25 11 34 GLU N N 120.1141 0.1 1 26 12 35 LEU H H 7.6132 0.01 1 27 12 35 LEU HD1 H 0.8182 0.01 2 28 12 35 LEU HD2 H 0.8285 0.01 2 29 12 35 LEU C C 178.7487 0.2 1 30 12 35 LEU CA C 57.0248 0.2 1 31 12 35 LEU CB C 41.1137 0.2 1 32 12 35 LEU CD1 C 24.9182 0.2 2 33 12 35 LEU CD2 C 23.7725 0.2 2 34 12 35 LEU N N 122.7382 0.1 1 35 13 36 LEU H H 8.2516 0.01 1 36 13 36 LEU C C 178.7885 0.2 1 37 13 36 LEU CA C 57.6703 0.2 1 38 13 36 LEU CB C 41.0489 0.2 1 39 13 36 LEU N N 118.5105 0.1 1 40 14 37 ALA H H 7.6643 0.01 1 41 14 37 ALA C C 180.0225 0.2 1 42 14 37 ALA CA C 54.5418 0.2 1 43 14 37 ALA CB C 17.4304 0.2 1 44 14 37 ALA N N 119.9683 0.1 1 45 15 38 GLU H H 7.5012 0.01 1 46 15 38 GLU C C 179.3259 0.2 1 47 15 38 GLU CA C 58.6386 0.2 1 48 15 38 GLU CB C 28.4427 0.2 1 49 15 38 GLU N N 119.2394 0.1 1 50 16 39 TYR H H 8.1563 0.01 1 51 16 39 TYR C C 178.8682 0.2 1 52 16 39 TYR CA C 60.0374 0.2 1 53 16 39 TYR CB C 37.3525 0.2 1 54 16 39 TYR N N 117.0526 0.1 1 55 17 40 GLN H H 8.2872 0.01 1 56 17 40 GLN C C 176.9376 0.2 1 57 17 40 GLN CA C 58.5310 0.2 1 58 17 40 GLN CB C 28.5125 0.2 1 59 17 40 GLN N N 121.7177 0.1 1 60 18 41 ASP H H 7.4483 0.01 1 61 18 41 ASP C C 177.3356 0.2 1 62 18 41 ASP CA C 55.5935 0.2 1 63 18 41 ASP CB C 40.5630 0.2 1 64 18 41 ASP N N 117.6358 0.1 1 65 19 42 LEU H H 7.4438 0.01 1 66 19 42 LEU HD1 H 0.8828 0.01 2 67 19 42 LEU HD2 H 0.8584 0.01 2 68 19 42 LEU C C 176.9376 0.2 1 69 19 42 LEU CA C 55.5385 0.2 1 70 19 42 LEU CB C 42.9300 0.2 1 71 19 42 LEU CD1 C 24.9774 0.2 2 72 19 42 LEU CD2 C 22.7293 0.2 2 73 19 42 LEU N N 117.7816 0.1 1 74 20 43 THR H H 7.3485 0.01 1 75 20 43 THR C C 173.0964 0.2 1 76 20 43 THR CA C 60.1450 0.2 1 77 20 43 THR CB C 71.4606 0.2 1 78 20 43 THR N N 109.7635 0.1 1 79 21 44 PHE H H 7.6855 0.01 1 80 21 44 PHE C C 175.4648 0.2 1 81 21 44 PHE CA C 56.8096 0.2 1 82 21 44 PHE CB C 37.3053 0.2 1 83 21 44 PHE N N 117.4900 0.1 1 84 22 45 LEU H H 7.3496 0.01 1 85 22 45 LEU HD1 H 0.6699 0.01 2 86 22 45 LEU HD2 H 0.7247 0.01 2 87 22 45 LEU C C 177.0172 0.2 1 88 22 45 LEU CA C 54.0121 0.2 1 89 22 45 LEU CB C 43.1568 0.2 1 90 22 45 LEU CD1 C 25.9297 0.2 2 91 22 45 LEU CD2 C 22.2362 0.2 2 92 22 45 LEU N N 120.2599 0.1 1 93 23 46 THR H H 8.6663 0.01 1 94 23 46 THR C C 176.0022 0.2 1 95 23 46 THR CA C 60.4677 0.2 1 96 23 46 THR CB C 71.2116 0.2 1 97 23 46 THR N N 111.0756 0.1 1 98 24 47 LYS H H 8.5983 0.01 1 99 24 47 LYS C C 178.2313 0.2 1 100 24 47 LYS CA C 60.5492 0.2 1 101 24 47 LYS CB C 31.4175 0.2 1 102 24 47 LYS N N 120.2599 0.1 1 103 25 48 GLN H H 8.3904 0.01 1 104 25 48 GLN C C 179.0473 0.2 1 105 25 48 GLN CA C 58.9614 0.2 1 106 25 48 GLN CB C 27.2725 0.2 1 107 25 48 GLN N N 116.3237 0.1 1 108 26 49 GLU H H 7.6437 0.01 1 109 26 49 GLU C C 179.8036 0.2 1 110 26 49 GLU CA C 59.0690 0.2 1 111 26 49 GLU CB C 30.3254 0.2 1 112 26 49 GLU N N 119.6767 0.1 1 113 27 50 ILE H H 8.3444 0.01 1 114 27 50 ILE HD1 H 0.8566 0.01 1 115 27 50 ILE C C 177.6342 0.2 1 116 27 50 ILE CA C 65.3094 0.2 1 117 27 50 ILE CB C 37.0717 0.2 1 118 27 50 ILE CD1 C 13.2359 0.2 1 119 27 50 ILE N N 123.6129 0.1 1 120 28 51 LEU H H 8.0465 0.01 1 121 28 51 LEU HD1 H 0.9645 0.01 2 122 28 51 LEU HD2 H 1.0262 0.01 2 123 28 51 LEU C C 180.6196 0.2 1 124 28 51 LEU CA C 58.1007 0.2 1 125 28 51 LEU CB C 40.7458 0.2 1 126 28 51 LEU CD1 C 25.2991 0.2 2 127 28 51 LEU CD2 C 23.6863 0.2 2 128 28 51 LEU N N 120.6972 0.1 1 129 29 52 LEU H H 7.9979 0.01 1 130 29 52 LEU HD1 H 0.9754 0.01 2 131 29 52 LEU HD2 H 0.9488 0.01 2 132 29 52 LEU C C 178.9676 0.2 1 133 29 52 LEU CA C 57.6703 0.2 1 134 29 52 LEU CB C 40.5729 0.2 1 135 29 52 LEU CD1 C 23.5450 0.2 2 136 29 52 LEU CD2 C 24.2615 0.2 2 137 29 52 LEU N N 121.4261 0.1 1 138 30 53 ALA H H 8.3804 0.01 1 139 30 53 ALA C C 179.8036 0.2 1 140 30 53 ALA CA C 55.1957 0.2 1 141 30 53 ALA CB C 18.1036 0.2 1 142 30 53 ALA N N 122.4466 0.1 1 143 31 54 HIS H H 8.7604 0.01 1 144 31 54 HIS C C 177.4750 0.2 1 145 31 54 HIS CA C 61.7589 0.2 1 146 31 54 HIS CB C 30.6189 0.2 1 147 31 54 HIS N N 118.6563 0.1 1 148 32 55 ARG H H 7.9260 0.01 1 149 32 55 ARG C C 179.3657 0.2 1 150 32 55 ARG CA C 59.6070 0.2 1 151 32 55 ARG CB C 28.9653 0.2 1 152 32 55 ARG N N 121.1346 0.1 1 153 33 56 ARG H H 8.3023 0.01 1 154 33 56 ARG C C 178.6691 0.2 1 155 33 56 ARG CA C 59.1475 0.2 1 156 33 56 ARG CB C 29.1580 0.2 1 157 33 56 ARG N N 118.2189 0.1 1 158 34 57 PHE H H 8.6751 0.01 1 159 34 57 PHE C C 177.4352 0.2 1 160 34 57 PHE CA C 61.2209 0.2 1 161 34 57 PHE CB C 39.5487 0.2 1 162 34 57 PHE N N 120.9888 0.1 1 163 35 58 CYS H H 8.1474 0.01 1 164 35 58 CYS C C 176.9575 0.2 1 165 35 58 CYS CA C 63.8031 0.2 1 166 35 58 CYS CB C 26.6165 0.2 1 167 35 58 CYS N N 114.2828 0.1 1 168 36 59 GLU H H 7.2373 0.01 1 169 36 59 GLU C C 177.2759 0.2 1 170 36 59 GLU CA C 57.8855 0.2 1 171 36 59 GLU CB C 28.6335 0.2 1 172 36 59 GLU N N 116.6153 0.1 1 173 37 60 LEU H H 7.1879 0.01 1 174 37 60 LEU HD1 H 0.5812 0.01 2 175 37 60 LEU HD2 H 0.7099 0.01 2 176 37 60 LEU C C 176.7784 0.2 1 177 37 60 LEU CA C 54.1197 0.2 1 178 37 60 LEU CB C 40.7589 0.2 1 179 37 60 LEU CD1 C 25.7989 0.2 2 180 37 60 LEU CD2 C 21.5872 0.2 2 181 37 60 LEU N N 116.6153 0.1 1 182 38 61 LEU H H 7.0602 0.01 1 183 38 61 LEU HD1 H 0.7207 0.01 2 184 38 61 LEU HD2 H 0.4560 0.01 2 185 38 61 LEU C C 174.8478 0.2 1 186 38 61 LEU CA C 51.7527 0.2 1 187 38 61 LEU CB C 40.7177 0.2 1 188 38 61 LEU CD1 C 25.8648 0.2 2 189 38 61 LEU CD2 C 23.1191 0.2 2 190 38 61 LEU N N 119.5310 0.1 1 191 40 63 GLN C C 177.7536 0.2 1 192 40 63 GLN CA C 59.2662 0.2 1 193 40 63 GLN CB C 27.8402 0.2 1 194 41 64 GLU H H 9.2868 0.01 1 195 41 64 GLU C C 177.2759 0.2 1 196 41 64 GLU CA C 58.2083 0.2 1 197 41 64 GLU CB C 27.9058 0.2 1 198 41 64 GLU N N 117.0526 0.1 1 199 42 65 GLN H H 8.0056 0.01 1 200 42 65 GLN C C 174.1712 0.2 1 201 42 65 GLN CA C 54.7653 0.2 1 202 42 65 GLN CB C 29.2688 0.2 1 203 42 65 GLN N N 119.0936 0.1 1 204 43 66 ARG H H 7.0388 0.01 1 205 43 66 ARG C C 176.2211 0.2 1 206 43 66 ARG CA C 57.1323 0.2 1 207 43 66 ARG CB C 29.1784 0.2 1 208 43 66 ARG N N 115.1575 0.1 1 209 44 67 SER H H 7.6412 0.01 1 210 44 67 SER C C 175.5046 0.2 1 211 44 67 SER CA C 57.5322 0.2 1 212 44 67 SER CB C 63.9107 0.2 1 213 44 67 SER N N 114.7201 0.1 1 214 45 68 VAL HG1 H 0.8337 0.01 2 215 45 68 VAL HG2 H 0.9204 0.01 2 216 45 68 VAL C C 178.2711 0.2 1 217 45 68 VAL CA C 67.3358 0.2 1 218 45 68 VAL CB C 30.4113 0.2 1 219 45 68 VAL CG2 C 22.5026 0.2 2 220 46 69 GLU H H 8.8620 0.01 1 221 46 69 GLU C C 179.1866 0.2 1 222 46 69 GLU CA C 59.7146 0.2 1 223 46 69 GLU CB C 28.2123 0.2 1 224 46 69 GLU N N 118.3647 0.1 1 225 47 70 SER H H 7.5876 0.01 1 226 47 70 SER C C 178.2512 0.2 1 227 47 70 SER CA C 61.1133 0.2 1 228 47 70 SER CB C 62.5428 0.2 1 229 47 70 SER N N 114.1370 0.1 1 230 48 71 SER H H 8.7846 0.01 1 231 48 71 SER C C 176.1017 0.2 1 232 48 71 SER CA C 61.5437 0.2 1 233 48 71 SER CB C 63.3480 0.2 1 234 48 71 SER N N 121.2804 0.1 1 235 49 72 LEU H H 7.2164 0.01 1 236 49 72 LEU HD1 H 0.8626 0.01 2 237 49 72 LEU HD2 H 0.7435 0.01 2 238 49 72 LEU C C 177.5546 0.2 1 239 49 72 LEU CA C 56.1640 0.2 1 240 49 72 LEU CB C 40.1800 0.2 1 241 49 72 LEU CD1 C 25.3253 0.2 2 242 49 72 LEU CD2 C 22.2556 0.2 2 243 49 72 LEU N N 120.5514 0.1 1 244 50 73 ARG H H 7.3944 0.01 1 245 50 73 ARG C C 175.9425 0.2 1 246 50 73 ARG CA C 54.7653 0.2 1 247 50 73 ARG CB C 30.6814 0.2 1 248 50 73 ARG N N 116.4695 0.1 1 249 51 74 ALA H H 7.2633 0.01 1 250 51 74 ALA C C 176.7784 0.2 1 251 51 74 ALA CA C 52.2906 0.2 1 252 51 74 ALA CB C 21.0484 0.2 1 253 51 74 ALA N N 123.9044 0.1 1 254 52 75 GLN H H 8.2828 0.01 1 255 52 75 GLN C C 175.5245 0.2 1 256 52 75 GLN CA C 53.7969 0.2 1 257 52 75 GLN CB C 30.2156 0.2 1 258 52 75 GLN N N 118.0731 0.1 1 259 53 76 VAL H H 9.0931 0.01 1 260 53 76 VAL HG1 H 0.9210 0.01 2 261 53 76 VAL HG2 H 0.4274 0.01 2 262 53 76 VAL C C 173.7532 0.2 1 263 53 76 VAL CA C 58.8538 0.2 1 264 53 76 VAL CB C 33.0215 0.2 1 265 53 76 VAL CG1 C 21.6812 0.2 2 266 53 76 VAL CG2 C 22.9351 0.2 2 267 53 76 VAL N N 124.9249 0.1 1 268 54 77 PRO C C 178.1318 0.2 1 269 54 77 PRO CA C 62.1713 0.2 1 270 54 77 PRO CB C 32.2563 0.2 1 271 55 78 PHE H H 7.8970 0.01 1 272 55 78 PHE C C 177.2362 0.2 1 273 55 78 PHE CA C 57.8855 0.2 1 274 55 78 PHE CB C 36.2669 0.2 1 275 55 78 PHE N N 120.4056 0.1 1 276 56 79 GLU H H 9.2024 0.01 1 277 56 79 GLU C C 178.4104 0.2 1 278 56 79 GLU CA C 60.1450 0.2 1 279 56 79 GLU CB C 28.3770 0.2 1 280 56 79 GLU N N 117.6358 0.1 1 281 57 80 GLN H H 7.3315 0.01 1 282 57 80 GLN C C 178.0123 0.2 1 283 57 80 GLN CA C 57.3475 0.2 1 284 57 80 GLN CB C 29.3526 0.2 1 285 57 80 GLN N N 114.4286 0.1 1 286 58 81 ILE H H 7.3751 0.01 1 287 58 81 ILE HD1 H 0.7344 0.01 1 288 58 81 ILE C C 177.2362 0.2 1 289 58 81 ILE CA C 60.7905 0.2 1 290 58 81 ILE CB C 35.2924 0.2 1 291 58 81 ILE CD1 C 9.6828 0.2 1 292 58 81 ILE N N 120.9888 0.1 1 293 59 82 LEU H H 8.1441 0.01 1 294 59 82 LEU HD2 H 0.7196 0.01 2 295 59 82 LEU C C 176.3604 0.2 1 296 59 82 LEU CA C 56.3792 0.2 1 297 59 82 LEU CB C 40.6748 0.2 1 298 59 82 LEU CD2 C 24.0430 0.2 2 299 59 82 LEU N N 116.4695 0.1 1 300 60 83 SER H H 7.0377 0.01 1 301 60 83 SER C C 174.7085 0.2 1 302 60 83 SER CA C 58.3159 0.2 1 303 60 83 SER CB C 64.0743 0.2 1 304 60 83 SER N N 110.3466 0.1 1 305 61 84 LEU H H 7.6743 0.01 1 306 61 84 LEU HD1 H 1.0487 0.01 2 307 61 84 LEU HD2 H 1.0350 0.01 2 308 61 84 LEU C C 176.5993 0.2 1 309 61 84 LEU CA C 53.6894 0.2 1 310 61 84 LEU CB C 39.4033 0.2 1 311 61 84 LEU CD1 C 25.6335 0.2 2 312 61 84 LEU CD2 C 22.3293 0.2 2 313 61 84 LEU N N 124.6334 0.1 1 314 62 85 PRO C C 178.4574 0.2 1 315 62 85 PRO CA C 65.3278 0.2 1 316 62 85 PRO CB C 30.9099 0.2 1 317 63 86 GLU H H 10.0046 0.01 1 318 63 86 GLU C C 176.2800 0.2 1 319 63 86 GLU CA C 59.6936 0.2 1 320 63 86 GLU CB C 27.7240 0.2 1 321 63 86 GLU N N 117.1984 0.1 1 322 64 87 LEU H H 7.3474 0.01 1 323 64 87 LEU HD1 H 0.8840 0.01 2 324 64 87 LEU HD2 H 0.9217 0.01 2 325 64 87 LEU C C 178.1969 0.2 1 326 64 87 LEU CA C 54.2608 0.2 1 327 64 87 LEU CB C 43.7939 0.2 1 328 64 87 LEU CD1 C 25.6249 0.2 2 329 64 87 LEU CD2 C 25.4310 0.2 2 330 64 87 LEU N N 115.5948 0.1 1 331 65 88 LYS H H 7.8408 0.01 1 332 65 88 LYS C C 176.8905 0.2 1 333 65 88 LYS CA C 59.9569 0.2 1 334 65 88 LYS CB C 31.5303 0.2 1 335 65 88 LYS N N 119.6767 0.1 1 336 66 89 ALA C C 176.5034 0.2 1 337 66 89 ALA CA C 50.8258 0.2 1 338 66 89 ALA CB C 18.0953 0.2 1 339 67 90 ASN H H 7.8469 0.01 1 340 67 90 ASN C C 175.9546 0.2 1 341 67 90 ASN CA C 50.9301 0.2 1 342 67 90 ASN CB C 40.1899 0.2 1 343 67 90 ASN N N 123.4671 0.1 1 344 68 91 PRO C C 176.9177 0.2 1 345 68 91 PRO CA C 63.8928 0.2 1 346 68 91 PRO CB C 31.3515 0.2 1 347 69 92 PHE H H 9.0058 0.01 1 348 69 92 PHE C C 176.9774 0.2 1 349 69 92 PHE CA C 56.9172 0.2 1 350 69 92 PHE CB C 38.0772 0.2 1 351 69 92 PHE N N 116.1780 0.1 1 352 70 93 LYS H H 7.6931 0.01 1 353 70 93 LYS C C 175.9823 0.2 1 354 70 93 LYS CA C 60.4677 0.2 1 355 70 93 LYS CB C 31.0258 0.2 1 356 70 93 LYS N N 119.3852 0.1 1 357 71 94 GLU H H 8.5486 0.01 1 358 71 94 GLU C C 179.0075 0.2 1 359 71 94 GLU CA C 60.5759 0.2 1 360 71 94 GLU CB C 28.0821 0.2 1 361 71 94 GLU N N 120.4056 0.1 1 362 72 95 ARG H H 7.4947 0.01 1 363 72 95 ARG C C 178.1118 0.2 1 364 72 95 ARG CA C 56.4868 0.2 1 365 72 95 ARG CB C 28.7067 0.2 1 366 72 95 ARG N N 119.6767 0.1 1 367 73 96 ILE H H 8.5351 0.01 1 368 73 96 ILE HD1 H 0.9933 0.01 1 369 73 96 ILE C C 177.2759 0.2 1 370 73 96 ILE CA C 66.0626 0.2 1 371 73 96 ILE CB C 37.2294 0.2 1 372 73 96 ILE CD1 C 14.0960 0.2 1 373 73 96 ILE N N 119.0936 0.1 1 374 74 97 CYS H H 7.2351 0.01 1 375 74 97 CYS C C 174.8478 0.2 1 376 74 97 CYS CA C 65.0942 0.2 1 377 74 97 CYS CB C 24.5674 0.2 1 378 74 97 CYS N N 115.1575 0.1 1 379 75 98 ARG H H 7.1364 0.01 1 380 75 98 ARG C C 178.4701 0.2 1 381 75 98 ARG CA C 59.4994 0.2 1 382 75 98 ARG CB C 29.2988 0.2 1 383 75 98 ARG N N 115.8864 0.1 1 384 76 99 VAL H H 8.0432 0.01 1 385 76 99 VAL HG1 H 0.4700 0.01 2 386 76 99 VAL HG2 H 0.7902 0.01 2 387 76 99 VAL C C 177.2362 0.2 1 388 76 99 VAL CA C 64.9867 0.2 1 389 76 99 VAL CB C 30.8473 0.2 1 390 76 99 VAL CG1 C 20.3335 0.2 2 391 76 99 VAL CG2 C 23.0712 0.2 2 392 76 99 VAL N N 117.1984 0.1 1 393 77 100 PHE H H 7.4358 0.01 1 394 77 100 PHE C C 175.0071 0.2 1 395 77 100 PHE CA C 60.4677 0.2 1 396 77 100 PHE CB C 38.7858 0.2 1 397 77 100 PHE N N 115.5948 0.1 1 398 78 101 SER H H 7.1556 0.01 1 399 78 101 SER C C 177.1565 0.2 1 400 78 101 SER CA C 58.6386 0.2 1 401 78 101 SER CB C 64.2082 0.2 1 402 78 101 SER N N 112.5334 0.1 1 403 79 102 THR H H 9.2669 0.01 1 404 79 102 THR C C 175.7634 0.2 1 405 79 102 THR CA C 61.3285 0.2 1 406 79 102 THR CB C 68.6468 0.2 1 407 79 102 THR N N 120.5514 0.1 1 408 80 103 SER H H 8.1205 0.01 1 409 80 103 SER C C 175.7434 0.2 1 410 80 103 SER CA C 56.1640 0.2 1 411 80 103 SER CB C 63.2206 0.2 1 412 80 103 SER N N 121.2804 0.1 1 413 81 104 PRO C C 177.6541 0.2 1 414 81 104 PRO CA C 65.3991 0.2 1 415 81 104 PRO CB C 31.3817 0.2 1 416 82 105 ALA H H 7.9614 0.01 1 417 82 105 ALA C C 177.0769 0.2 1 418 82 105 ALA CA C 51.4299 0.2 1 419 82 105 ALA CB C 18.0226 0.2 1 420 82 105 ALA N N 117.9274 0.1 1 421 83 106 LYS H H 7.9842 0.01 1 422 83 106 LYS C C 175.2061 0.2 1 423 83 106 LYS CA C 55.8412 0.2 1 424 83 106 LYS CB C 29.4599 0.2 1 425 83 106 LYS N N 115.4490 0.1 1 426 84 107 ASP H H 7.6698 0.01 1 427 84 107 ASP C C 175.8231 0.2 1 428 84 107 ASP CA C 52.2906 0.2 1 429 84 107 ASP CB C 40.5958 0.2 1 430 84 107 ASP N N 112.2418 0.1 1 431 85 108 SER H H 7.2709 0.01 1 432 85 108 SER C C 172.8974 0.2 1 433 85 108 SER CA C 57.1323 0.2 1 434 85 108 SER CB C 65.3474 0.2 1 435 85 108 SER N N 113.5539 0.1 1 436 86 109 LEU H H 9.1793 0.01 1 437 86 109 LEU HD1 H 1.1312 0.01 2 438 86 109 LEU HD2 H 1.2105 0.01 2 439 86 109 LEU C C 176.4002 0.2 1 440 86 109 LEU CA C 54.5501 0.2 1 441 86 109 LEU CB C 44.0200 0.2 1 442 86 109 LEU CD1 C 25.9978 0.2 2 443 86 109 LEU CD2 C 24.3377 0.2 2 444 86 109 LEU N N 121.4261 0.1 1 445 87 110 SER H H 8.3048 0.01 1 446 87 110 SER C C 174.8080 0.2 1 447 87 110 SER CA C 56.0564 0.2 1 448 87 110 SER CB C 65.6436 0.2 1 449 87 110 SER N N 117.9274 0.1 1 450 88 111 PHE H H 9.8504 0.01 1 451 88 111 PHE C C 176.7983 0.2 1 452 88 111 PHE CA C 60.4677 0.2 1 453 88 111 PHE CB C 37.1604 0.2 1 454 88 111 PHE N N 122.5924 0.1 1 455 89 112 GLU H H 8.2328 0.01 1 456 89 112 GLU C C 178.4900 0.2 1 457 89 112 GLU CA C 60.1450 0.2 1 458 89 112 GLU CB C 28.0484 0.2 1 459 89 112 GLU N N 117.7816 0.1 1 460 90 113 ASP H H 7.6912 0.01 1 461 90 113 ASP C C 177.7138 0.2 1 462 90 113 ASP CA C 57.0248 0.2 1 463 90 113 ASP CB C 41.6985 0.2 1 464 90 113 ASP N N 121.5719 0.1 1 465 91 114 PHE H H 8.2136 0.01 1 466 91 114 PHE C C 176.4600 0.2 1 467 91 114 PHE CA C 60.0374 0.2 1 468 91 114 PHE CB C 39.2010 0.2 1 469 91 114 PHE N N 121.1346 0.1 1 470 92 115 LEU H H 8.1886 0.01 1 471 92 115 LEU HD1 H 0.1050 0.01 2 472 92 115 LEU HD2 H 0.3494 0.01 2 473 92 115 LEU C C 179.1866 0.2 1 474 92 115 LEU CA C 57.1323 0.2 1 475 92 115 LEU CB C 40.2765 0.2 1 476 92 115 LEU CD1 C 25.4357 0.2 2 477 92 115 LEU CD2 C 23.3714 0.2 2 478 92 115 LEU N N 118.3647 0.1 1 479 93 116 ASP H H 7.6399 0.01 1 480 93 116 ASP C C 177.3356 0.2 1 481 93 116 ASP CA C 57.2399 0.2 1 482 93 116 ASP CB C 39.8638 0.2 1 483 93 116 ASP N N 120.8430 0.1 1 484 94 117 LEU H H 7.4803 0.01 1 485 94 117 LEU HD1 H 0.4816 0.01 2 486 94 117 LEU HD2 H 0.4876 0.01 2 487 94 117 LEU C C 177.8531 0.2 1 488 94 117 LEU CA C 57.5627 0.2 1 489 94 117 LEU CB C 40.6705 0.2 1 490 94 117 LEU CD1 C 26.4908 0.2 2 491 94 117 LEU CD2 C 24.3953 0.2 2 492 94 117 LEU N N 122.4466 0.1 1 493 95 118 LEU H H 7.8922 0.01 1 494 95 118 LEU HD1 H 0.2645 0.01 2 495 95 118 LEU HD2 H 0.3810 0.01 2 496 95 118 LEU C C 180.9229 0.2 1 497 95 118 LEU CA C 57.2399 0.2 1 498 95 118 LEU CB C 40.3284 0.2 1 499 95 118 LEU CD1 C 25.7348 0.2 2 500 95 118 LEU CD2 C 20.9091 0.2 2 501 95 118 LEU N N 116.9069 0.1 1 502 96 119 SER H H 8.4104 0.01 1 503 96 119 SER C C 176.3430 0.2 1 504 96 119 SER N N 116.0322 0.1 1 505 97 120 VAL H H 7.2551 0.01 1 506 97 120 VAL HG1 H 0.1569 0.01 2 507 97 120 VAL C C 176.2800 0.2 1 508 97 120 VAL CA C 65.0258 0.2 1 509 97 120 VAL CB C 30.0514 0.2 1 510 97 120 VAL CG1 C 22.2351 0.2 2 511 97 120 VAL N N 119.3852 0.1 1 512 98 121 PHE H H 7.1508 0.01 1 513 98 121 PHE C C 176.2056 0.2 1 514 98 121 PHE CA C 60.1967 0.2 1 515 98 121 PHE CB C 38.8944 0.2 1 516 98 121 PHE N N 116.7611 0.1 1 517 99 122 SER H H 7.2701 0.01 1 518 99 122 SER C C 177.0058 0.2 1 519 99 122 SER CA C 58.4863 0.2 1 520 99 122 SER CB C 63.8344 0.2 1 521 99 122 SER N N 115.4490 0.1 1 522 100 123 ASP C C 177.0417 0.2 1 523 100 123 ASP CA C 56.1788 0.2 1 524 100 123 ASP CB C 40.2358 0.2 1 525 101 124 THR H H 8.1466 0.01 1 526 101 124 THR C C 174.9093 0.2 1 527 101 124 THR CA C 62.0523 0.2 1 528 101 124 THR CB C 68.4862 0.2 1 529 101 124 THR N N 111.0756 0.1 1 530 102 125 ALA H H 6.8007 0.01 1 531 102 125 ALA C C 176.7596 0.2 1 532 102 125 ALA CA C 51.5027 0.2 1 533 102 125 ALA CB C 18.2916 0.2 1 534 102 125 ALA N N 124.1960 0.1 1 535 103 126 THR H H 6.2542 0.01 1 536 103 126 THR C C 173.9248 0.2 1 537 103 126 THR CA C 59.3106 0.2 1 538 103 126 THR CB C 67.5812 0.2 1 539 103 126 THR N N 111.5129 0.1 1 540 104 127 PRO C C 178.4016 0.2 1 541 104 127 PRO CA C 65.1336 0.2 1 542 104 127 PRO CB C 30.5485 0.2 1 543 105 128 ASP H H 8.3406 0.01 1 544 105 128 ASP C C 178.0591 0.2 1 545 105 128 ASP CA C 56.8676 0.2 1 546 105 128 ASP CB C 39.3456 0.2 1 547 105 128 ASP N N 116.4695 0.1 1 548 106 129 ILE H H 7.4433 0.01 1 549 106 129 ILE HD1 H 0.9264 0.01 1 550 106 129 ILE C C 178.1105 0.2 1 551 106 129 ILE CA C 63.2499 0.2 1 552 106 129 ILE CB C 36.7490 0.2 1 553 106 129 ILE CD1 C 12.3319 0.2 1 554 106 129 ILE N N 122.7382 0.1 1 555 107 130 LYS H H 7.5987 0.01 1 556 107 130 LYS C C 178.6674 0.2 1 557 107 130 LYS CA C 60.0530 0.2 1 558 107 130 LYS CB C 33.0614 0.2 1 559 107 130 LYS N N 119.6767 0.1 1 560 108 131 SER H H 8.4695 0.01 1 561 108 131 SER C C 175.5135 0.2 1 562 108 131 SER CA C 61.8574 0.2 1 563 108 131 SER CB C 63.0681 0.2 1 564 108 131 SER N N 113.1165 0.1 1 565 109 132 HIS H H 7.9907 0.01 1 566 109 132 HIS C C 178.1430 0.2 1 567 109 132 HIS CA C 59.2721 0.2 1 568 109 132 HIS CB C 29.8798 0.2 1 569 109 132 HIS N N 123.1755 0.1 1 570 110 133 TYR H H 8.0601 0.01 1 571 110 133 TYR C C 177.9455 0.2 1 572 110 133 TYR CA C 63.4750 0.2 1 573 110 133 TYR CB C 37.7569 0.2 1 574 110 133 TYR N N 115.5948 0.1 1 575 111 134 ALA H H 8.2934 0.01 1 576 111 134 ALA C C 175.9370 0.2 1 577 111 134 ALA CA C 55.1935 0.2 1 578 111 134 ALA CB C 17.7979 0.2 1 579 111 134 ALA N N 122.0093 0.1 1 580 112 135 PHE H H 7.5887 0.01 1 581 112 135 PHE C C 175.7097 0.2 1 582 112 135 PHE CA C 61.7058 0.2 1 583 112 135 PHE CB C 38.1403 0.2 1 584 112 135 PHE N N 116.6153 0.1 1 585 113 136 ARG H H 7.0899 0.01 1 586 113 136 ARG C C 179.4713 0.2 1 587 113 136 ARG CA C 58.1956 0.2 1 588 113 136 ARG CB C 28.9740 0.2 1 589 113 136 ARG N N 113.2623 0.1 1 590 114 137 ILE H H 7.7030 0.01 1 591 114 137 ILE HD1 H 0.8001 0.01 1 592 114 137 ILE C C 176.1979 0.2 1 593 114 137 ILE CA C 64.4222 0.2 1 594 114 137 ILE CB C 35.6876 0.2 1 595 114 137 ILE CD1 C 15.4518 0.2 1 596 114 137 ILE N N 120.8430 0.1 1 597 115 138 PHE H H 7.1846 0.01 1 598 115 138 PHE C C 173.1571 0.2 1 599 115 138 PHE CA C 54.4715 0.2 1 600 115 138 PHE CB C 35.9273 0.2 1 601 115 138 PHE N N 117.6358 0.1 1 602 116 139 ASP H H 6.8563 0.01 1 603 116 139 ASP C C 176.4371 0.2 1 604 116 139 ASP CA C 50.8606 0.2 1 605 116 139 ASP CB C 37.0142 0.2 1 606 116 139 ASP N N 118.3647 0.1 1 607 117 140 PHE H H 7.4624 0.01 1 608 117 140 PHE C C 176.6202 0.2 1 609 117 140 PHE CA C 62.4100 0.2 1 610 117 140 PHE CB C 39.2544 0.2 1 611 117 140 PHE N N 121.8635 0.1 1 612 118 141 ASP H H 8.0476 0.01 1 613 118 141 ASP C C 176.2062 0.2 1 614 118 141 ASP CA C 52.5341 0.2 1 615 118 141 ASP CB C 39.2122 0.2 1 616 118 141 ASP N N 114.8659 0.1 1 617 119 142 ASP H H 8.1442 0.01 1 618 119 142 ASP C C 175.3864 0.2 1 619 119 142 ASP CA C 56.3638 0.2 1 620 119 142 ASP CB C 40.0753 0.2 1 621 119 142 ASP N N 116.7611 0.1 1 622 120 143 ASP H H 8.1236 0.01 1 623 120 143 ASP C C 178.4041 0.2 1 624 120 143 ASP CA C 53.9334 0.2 1 625 120 143 ASP CB C 40.9276 0.2 1 626 120 143 ASP N N 119.0936 0.1 1 627 121 144 GLY H H 10.9711 0.01 1 628 121 144 GLY C C 173.5715 0.2 1 629 121 144 GLY CA C 45.1721 0.2 1 630 121 144 GLY N N 115.3033 0.1 1 631 122 145 THR H H 7.7278 0.01 1 632 122 145 THR C C 173.0287 0.2 1 633 122 145 THR CA C 59.9436 0.2 1 634 122 145 THR CB C 72.3451 0.2 1 635 122 145 THR N N 110.9298 0.1 1 636 123 146 LEU H H 9.6269 0.01 1 637 123 146 LEU HD1 H 0.6901 0.01 2 638 123 146 LEU HD2 H 0.1578 0.01 2 639 123 146 LEU C C 175.8148 0.2 1 640 123 146 LEU CA C 53.3726 0.2 1 641 123 146 LEU CB C 39.9053 0.2 1 642 123 146 LEU CD1 C 24.5427 0.2 2 643 123 146 LEU CD2 C 21.0662 0.2 2 644 123 146 LEU N N 125.5080 0.1 1 645 124 147 ASN H H 8.6998 0.01 1 646 124 147 ASN CA C 49.5323 0.2 1 647 124 147 ASN CB C 39.3149 0.2 1 648 124 147 ASN N N 123.9044 0.1 1 649 125 148 ARG C C 178.3306 0.2 1 650 125 148 ARG CA C 60.9011 0.2 1 651 125 148 ARG CB C 29.2684 0.2 1 652 126 149 GLU H H 7.6794 0.01 1 653 126 149 GLU C C 179.5368 0.2 1 654 126 149 GLU CA C 59.2912 0.2 1 655 126 149 GLU CB C 27.9938 0.2 1 656 126 149 GLU N N 120.1141 0.1 1 657 127 150 ASP H H 8.2420 0.01 1 658 127 150 ASP C C 180.5439 0.2 1 659 127 150 ASP CA C 58.1016 0.2 1 660 127 150 ASP CB C 40.5783 0.2 1 661 127 150 ASP N N 122.0093 0.1 1 662 128 151 LEU HD1 H 0.8817 0.01 2 663 128 151 LEU HD2 H 0.8761 0.01 2 664 128 151 LEU C C 178.2512 0.2 1 665 128 151 LEU CA C 57.1144 0.2 1 666 128 151 LEU CB C 41.1483 0.2 1 667 128 151 LEU CD1 C 24.9802 0.2 2 668 128 151 LEU CD2 C 24.0442 0.2 2 669 129 152 SER H H 8.2928 0.01 1 670 129 152 SER C C 176.5993 0.2 1 671 129 152 SER CA C 61.1133 0.2 1 672 129 152 SER CB C 62.5311 0.2 1 673 129 152 SER N N 116.3237 0.1 1 674 130 153 ARG H H 7.5902 0.01 1 675 130 153 ARG C C 179.0871 0.2 1 676 130 153 ARG CA C 58.9614 0.2 1 677 130 153 ARG CB C 27.7514 0.2 1 678 130 153 ARG N N 122.1550 0.1 1 679 131 154 LEU H H 8.3074 0.01 1 680 131 154 LEU HD1 H 0.4362 0.01 2 681 131 154 LEU HD2 H 0.6202 0.01 2 682 131 154 LEU C C 178.5696 0.2 1 683 131 154 LEU CA C 58.8538 0.2 1 684 131 154 LEU CB C 41.6609 0.2 1 685 131 154 LEU CD1 C 25.4899 0.2 2 686 131 154 LEU CD2 C 24.8584 0.2 2 687 131 154 LEU N N 122.4466 0.1 1 688 132 155 VAL H H 8.4385 0.01 1 689 132 155 VAL HG1 H 0.9728 0.01 2 690 132 155 VAL HG2 H 1.0334 0.01 2 691 132 155 VAL C C 178.9478 0.2 1 692 132 155 VAL CA C 66.4930 0.2 1 693 132 155 VAL CB C 30.6934 0.2 1 694 132 155 VAL CG1 C 22.1621 0.2 2 695 132 155 VAL CG2 C 22.4824 0.2 2 696 132 155 VAL N N 118.8020 0.1 1 697 133 156 ASN H H 8.0571 0.01 1 698 133 156 ASN C C 177.9526 0.2 1 699 133 156 ASN CA C 55.9488 0.2 1 700 133 156 ASN CB C 37.8828 0.2 1 701 133 156 ASN N N 119.6767 0.1 1 702 134 157 CYS H H 7.8514 0.01 1 703 134 157 CYS C C 176.1216 0.2 1 704 134 157 CYS CA C 62.1892 0.2 1 705 134 157 CYS CB C 26.9287 0.2 1 706 134 157 CYS N N 118.2189 0.1 1 707 135 158 LEU H H 7.6906 0.01 1 708 135 158 LEU HD1 H 0.8104 0.01 2 709 135 158 LEU HD2 H 0.8823 0.01 2 710 135 158 LEU C C 178.2313 0.2 1 711 135 158 LEU CA C 56.1640 0.2 1 712 135 158 LEU CB C 41.3118 0.2 1 713 135 158 LEU CD1 C 23.7557 0.2 2 714 135 158 LEU CD2 C 22.7263 0.2 2 715 135 158 LEU N N 117.7816 0.1 1 716 136 159 THR H H 7.7847 0.01 1 717 136 159 THR C C 175.7236 0.2 1 718 136 159 THR CA C 62.2968 0.2 1 719 136 159 THR CB C 69.8000 0.2 1 720 136 159 THR N N 109.7635 0.1 1 721 137 160 GLY H H 7.7974 0.01 1 722 137 160 GLY C C 174.2309 0.2 1 723 137 160 GLY CA C 45.1895 0.2 1 724 137 160 GLY N N 110.6382 0.1 1 725 138 161 GLU H H 8.2392 0.01 1 726 138 161 GLU C C 177.0431 0.2 1 727 138 161 GLU CA C 56.4868 0.2 1 728 138 161 GLU CB C 29.7159 0.2 1 729 138 161 GLU N N 120.2599 0.1 1 730 139 162 GLY H H 8.2206 0.01 1 731 139 162 GLY C C 174.4004 0.2 1 732 139 162 GLY CA C 45.0050 0.2 1 733 139 162 GLY N N 109.9093 0.1 1 734 141 164 ASP C C 176.4798 0.2 1 735 141 164 ASP CA C 54.6397 0.2 1 736 141 164 ASP CB C 40.3844 0.2 1 737 142 165 THR H H 7.5848 0.01 1 738 142 165 THR C C 174.2508 0.2 1 739 142 165 THR CA C 61.4361 0.2 1 740 142 165 THR CB C 69.3642 0.2 1 741 142 165 THR N N 112.2418 0.1 1 742 143 166 ARG H H 7.8332 0.01 1 743 143 166 ARG C C 176.3604 0.2 1 744 143 166 ARG CA C 55.7336 0.2 1 745 143 166 ARG CB C 29.9329 0.2 1 746 143 166 ARG N N 123.4671 0.1 1 747 144 167 LEU H H 8.3767 0.01 1 748 144 167 LEU HD1 H 0.8558 0.01 2 749 144 167 LEU HD2 H 0.8503 0.01 2 750 144 167 LEU C C 177.6143 0.2 1 751 144 167 LEU CA C 54.3349 0.2 1 752 144 167 LEU CB C 42.5178 0.2 1 753 144 167 LEU CD1 C 25.7683 0.2 2 754 144 167 LEU CD2 C 23.1132 0.2 2 755 144 167 LEU N N 124.3418 0.1 1 756 145 168 SER H H 8.9355 0.01 1 757 145 168 SER C C 174.7483 0.2 1 758 145 168 SER CA C 57.1323 0.2 1 759 145 168 SER CB C 64.8817 0.2 1 760 145 168 SER N N 119.3852 0.1 1 761 147 170 SER C C 177.2958 0.2 1 762 147 170 SER CA C 60.6650 0.2 1 763 147 170 SER CB C 62.1082 0.2 1 764 148 171 GLU H H 7.6447 0.01 1 765 148 171 GLU C C 179.5249 0.2 1 766 148 171 GLU CA C 58.6386 0.2 1 767 148 171 GLU CB C 29.6071 0.2 1 768 148 171 GLU N N 124.4876 0.1 1 769 149 172 MET H H 8.6300 0.01 1 770 149 172 MET C C 177.1167 0.2 1 771 149 172 MET CA C 58.5010 0.2 1 772 149 172 MET CB C 31.4175 0.2 1 773 149 172 MET N N 120.2599 0.1 1 774 150 173 LYS H H 7.7327 0.01 1 775 150 173 LYS C C 178.0123 0.2 1 776 150 173 LYS CA C 59.6070 0.2 1 777 150 173 LYS CB C 31.3778 0.2 1 778 150 173 LYS N N 119.2394 0.1 1 779 151 174 GLN H H 7.5130 0.01 1 780 151 174 GLN C C 178.1716 0.2 1 781 151 174 GLN CA C 58.3159 0.2 1 782 151 174 GLN CB C 28.1068 0.2 1 783 151 174 GLN N N 116.9069 0.1 1 784 152 175 LEU H H 7.8194 0.01 1 785 152 175 LEU HD1 H 0.9255 0.01 2 786 152 175 LEU HD2 H 0.9710 0.01 2 787 152 175 LEU C C 179.2264 0.2 1 788 152 175 LEU CA C 58.1502 0.2 1 789 152 175 LEU CB C 40.9933 0.2 1 790 152 175 LEU CD1 C 25.2746 0.2 2 791 152 175 LEU CD2 C 24.1828 0.2 2 792 152 175 LEU N N 120.9888 0.1 1 793 153 176 ILE H H 8.2100 0.01 1 794 153 176 ILE HD1 H 0.7717 0.01 1 795 153 176 ILE C C 177.8929 0.2 1 796 153 176 ILE CA C 65.3094 0.2 1 797 153 176 ILE CB C 36.8664 0.2 1 798 153 176 ILE CD1 C 13.3710 0.2 1 799 153 176 ILE N N 119.8225 0.1 1 800 154 177 ASP H H 8.5814 0.01 1 801 154 177 ASP C C 179.6045 0.2 1 802 154 177 ASP CA C 57.4532 0.2 1 803 154 177 ASP CB C 38.9490 0.2 1 804 154 177 ASP N N 120.1141 0.1 1 805 155 178 ASN H H 8.1499 0.01 1 806 155 178 ASN C C 177.8133 0.2 1 807 155 178 ASN CA C 56.1640 0.2 1 808 155 178 ASN CB C 38.0683 0.2 1 809 155 178 ASN N N 120.1141 0.1 1 810 156 179 ILE H H 8.3598 0.01 1 811 156 179 ILE HD1 H 0.6694 0.01 1 812 156 179 ILE C C 180.1817 0.2 1 813 156 179 ILE CA C 65.2018 0.2 1 814 156 179 ILE CB C 37.5158 0.2 1 815 156 179 ILE CD1 C 13.7579 0.2 1 816 156 179 ILE N N 122.3008 0.1 1 817 157 180 LEU H H 8.2825 0.01 1 818 157 180 LEU HD1 H 0.8980 0.01 2 819 157 180 LEU HD2 H 0.7147 0.01 2 820 157 180 LEU C C 178.8586 0.2 1 821 157 180 LEU CA C 58.1007 0.2 1 822 157 180 LEU CB C 40.1326 0.2 1 823 157 180 LEU CD1 C 25.9237 0.2 2 824 157 180 LEU CD2 C 22.5589 0.2 2 825 157 180 LEU N N 121.8635 0.1 1 826 158 181 GLU H H 8.4647 0.01 1 827 158 181 GLU C C 179.0617 0.2 1 828 158 181 GLU CA C 59.1835 0.2 1 829 158 181 GLU CB C 28.6874 0.2 1 830 158 181 GLU N N 120.8430 0.1 1 831 159 182 GLU H H 7.6512 0.01 1 832 159 182 GLU C C 178.0900 0.2 1 833 159 182 GLU CA C 57.5436 0.2 1 834 159 182 GLU CB C 30.1152 0.2 1 835 159 182 GLU N N 114.5744 0.1 1 836 160 183 SER H H 7.6703 0.01 1 837 160 183 SER C C 174.3094 0.2 1 838 160 183 SER CA C 59.2523 0.2 1 839 160 183 SER CB C 65.3115 0.2 1 840 160 183 SER N N 110.4924 0.1 1 841 161 184 ASP H H 8.4369 0.01 1 842 161 184 ASP C C 177.1904 0.2 1 843 161 184 ASP CA C 52.4172 0.2 1 844 161 184 ASP CB C 38.9546 0.2 1 845 161 184 ASP N N 120.5514 0.1 1 846 162 185 ILE H H 7.5883 0.01 1 847 162 185 ILE HD1 H 0.7350 0.01 1 848 162 185 ILE C C 177.8777 0.2 1 849 162 185 ILE CA C 63.5560 0.2 1 850 162 185 ILE CB C 37.0988 0.2 1 851 162 185 ILE CD1 C 11.3884 0.2 1 852 162 185 ILE N N 126.8201 0.1 1 853 163 186 ASP H H 8.2472 0.01 1 854 163 186 ASP C C 176.1705 0.2 1 855 163 186 ASP CA C 53.2526 0.2 1 856 163 186 ASP CB C 38.7802 0.2 1 857 163 186 ASP N N 116.6153 0.1 1 858 164 187 ARG H H 7.5967 0.01 1 859 164 187 ARG C C 176.0858 0.2 1 860 164 187 ARG CA C 56.5380 0.2 1 861 164 187 ARG CB C 25.5272 0.2 1 862 164 187 ARG N N 115.3033 0.1 1 863 165 188 ASP H H 8.6031 0.01 1 864 165 188 ASP C C 177.7313 0.2 1 865 165 188 ASP CA C 53.6361 0.2 1 866 165 188 ASP CB C 40.3113 0.2 1 867 165 188 ASP N N 120.5514 0.1 1 868 166 189 GLY H H 10.4340 0.01 1 869 166 189 GLY C C 173.2199 0.2 1 870 166 189 GLY CA C 44.9310 0.2 1 871 166 189 GLY N N 114.2828 0.1 1 872 167 190 THR H H 8.0870 0.01 1 873 167 190 THR C C 173.7934 0.2 1 874 167 190 THR CA C 59.0537 0.2 1 875 167 190 THR CB C 72.4825 0.2 1 876 167 190 THR N N 110.2009 0.1 1 877 168 191 ILE H H 9.2752 0.01 1 878 168 191 ILE HD1 H 0.9106 0.01 1 879 168 191 ILE C C 175.6845 0.2 1 880 168 191 ILE CA C 59.0765 0.2 1 881 168 191 ILE CB C 38.4060 0.2 1 882 168 191 ILE CD1 C 14.2194 0.2 1 883 168 191 ILE N N 124.7791 0.1 1 884 169 192 ASN H H 9.1543 0.01 1 885 169 192 ASN C C 175.0946 0.2 1 886 169 192 ASN CA C 50.9520 0.2 1 887 169 192 ASN CB C 38.2058 0.2 1 888 169 192 ASN N N 109.1804 0.1 1 889 170 193 LEU H H 8.1619 0.01 1 890 170 193 LEU HD1 H 0.4132 0.01 2 891 170 193 LEU HD2 H 0.5102 0.01 2 892 170 193 LEU C C 178.1597 0.2 1 893 170 193 LEU CA C 58.3823 0.2 1 894 170 193 LEU CB C 40.4777 0.2 1 895 170 193 LEU CD1 C 22.7264 0.2 2 896 170 193 LEU CD2 C 25.1381 0.2 2 897 170 193 LEU N N 120.6972 0.1 1 898 171 194 SER H H 7.8121 0.01 1 899 171 194 SER C C 178.1236 0.2 1 900 171 194 SER CA C 60.9009 0.2 1 901 171 194 SER CB C 62.3585 0.2 1 902 171 194 SER N N 114.2828 0.1 1 903 172 195 GLU H H 8.5404 0.01 1 904 172 195 GLU C C 179.3341 0.2 1 905 172 195 GLU CA C 58.8418 0.2 1 906 172 195 GLU CB C 28.7839 0.2 1 907 172 195 GLU N N 124.0502 0.1 1 908 173 196 PHE H H 8.7381 0.01 1 909 173 196 PHE C C 176.3405 0.2 1 910 173 196 PHE CA C 61.1721 0.2 1 911 173 196 PHE CB C 39.6611 0.2 1 912 173 196 PHE N N 121.8635 0.1 1 913 174 197 GLN H H 8.9118 0.01 1 914 174 197 GLN C C 178.8682 0.2 1 915 174 197 GLN CA C 59.0690 0.2 1 916 174 197 GLN CB C 27.5196 0.2 1 917 174 197 GLN N N 117.1984 0.1 1 918 175 198 HIS H H 8.1646 0.01 1 919 175 198 HIS C C 177.2362 0.2 1 920 175 198 HIS CA C 59.7146 0.2 1 921 175 198 HIS CB C 29.5791 0.2 1 922 175 198 HIS N N 120.6972 0.1 1 923 176 199 VAL H H 7.6540 0.01 1 924 176 199 VAL HG1 H 0.9891 0.01 2 925 176 199 VAL HG2 H 1.2221 0.01 2 926 176 199 VAL C C 178.7487 0.2 1 927 176 199 VAL CA C 65.6322 0.2 1 928 176 199 VAL CB C 30.6157 0.2 1 929 176 199 VAL CG1 C 20.8632 0.2 2 930 176 199 VAL CG2 C 22.2102 0.2 2 931 176 199 VAL N N 117.9274 0.1 1 932 177 200 ILE H H 7.5403 0.01 1 933 177 200 ILE C C 178.3308 0.2 1 934 177 200 ILE CA C 62.5120 0.2 1 935 177 200 ILE CB C 35.2586 0.2 1 936 177 200 ILE N N 117.6358 0.1 1 937 178 201 SER C C 174.4498 0.2 1 938 178 201 SER CA C 60.4498 0.2 1 939 178 201 SER CB C 62.8486 0.2 1 940 179 202 ARG H H 6.9747 0.01 1 941 179 202 ARG C C 176.7784 0.2 1 942 179 202 ARG CA C 55.1957 0.2 1 943 179 202 ARG CB C 29.2907 0.2 1 944 179 202 ARG N N 118.0731 0.1 1 945 180 203 SER H H 7.3905 0.01 1 946 180 203 SER CA C 55.9488 0.2 1 947 180 203 SER CB C 63.7856 0.2 1 948 180 203 SER N N 117.9274 0.1 1 949 183 206 PHE C C 176.4662 0.2 1 950 183 206 PHE CA C 57.5756 0.2 1 951 183 206 PHE CB C 39.4659 0.2 1 952 184 207 ALA H H 8.0318 0.01 1 953 184 207 ALA CA C 55.0298 0.2 1 954 184 207 ALA CB C 18.1897 0.2 1 955 184 207 ALA N N 123.9044 0.1 1 956 188 211 LYS C C 175.8051 0.2 1 957 188 211 LYS CA C 56.1495 0.2 1 958 188 211 LYS CB C 31.5536 0.2 1 959 189 212 ILE H H 7.9403 0.01 1 960 189 212 ILE HD1 H 0.8076 0.01 1 961 189 212 ILE C C 175.7246 0.2 1 962 189 212 ILE CA C 60.5415 0.2 1 963 189 212 ILE CB C 37.9388 0.2 1 964 189 212 ILE CD1 C 12.6622 0.2 1 965 189 212 ILE N N 122.1550 0.1 1 966 190 213 VAL H H 8.0757 0.01 1 967 190 213 VAL HG1 H 0.9600 0.01 2 968 190 213 VAL HG2 H 0.9502 0.01 2 969 190 213 VAL C C 174.9378 0.2 1 970 190 213 VAL CA C 61.8700 0.2 1 971 190 213 VAL CB C 31.8919 0.2 1 972 190 213 VAL CG1 C 20.9745 0.2 2 973 190 213 VAL CG2 C 20.3755 0.2 2 974 190 213 VAL N N 125.9454 0.1 1 975 191 214 LEU H H 7.7790 0.01 1 976 191 214 LEU C C 182.2498 0.2 1 977 191 214 LEU CA C 56.2801 0.2 1 978 191 214 LEU CB C 42.5034 0.2 1 979 191 214 LEU N N 114.1370 0.1 1 stop_ save_