data_18725 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of Faap24 residues 141-215 ; _BMRB_accession_number 18725 _BMRB_flat_file_name bmr18725.str _Entry_type original _Submission_date 2012-09-18 _Accession_date 2012-09-18 _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 Wienk Hans . . 2 Slootweg Jack . . 3 Kaptein Robert . . 4 Boelens Rolf . . 5 Folkers Gert E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 558 "13C chemical shifts" 341 "15N chemical shifts" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-07-29 update BMRB 'update entry citation' 2013-04-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Fanconi anemia associated protein FAAP24 uses two substrate specific binding surfaces for DNA recognition.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23661679 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wienk Hans . . 2 Slootweg Jack C. . 3 Speerstra Sietske . . 4 Kaptein Robert . . 5 Boelens Rolf . . 6 Folkers Gert E. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 41 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6739 _Page_last 6749 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Faap24 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Faap24 $Faap24 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_Faap24 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Faap24 _Molecular_mass 10411.190 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; MGSSHHHHHHSSHMLVPRGS SKNPLLGKKRALLLSEPSLL RTVQQIPGVGKVKAPLLLQK FPSIQQLSNASIGELEQVVG QAVAQQIHAFFTQPR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 121 MET 2 122 GLY 3 123 SER 4 124 SER 5 125 HIS 6 126 HIS 7 127 HIS 8 128 HIS 9 129 HIS 10 130 HIS 11 131 SER 12 132 SER 13 133 HIS 14 134 MET 15 135 LEU 16 136 VAL 17 137 PRO 18 138 ARG 19 139 GLY 20 140 SER 21 141 SER 22 142 LYS 23 143 ASN 24 144 PRO 25 145 LEU 26 146 LEU 27 147 GLY 28 148 LYS 29 149 LYS 30 150 ARG 31 151 ALA 32 152 LEU 33 153 LEU 34 154 LEU 35 155 SER 36 156 GLU 37 157 PRO 38 158 SER 39 159 LEU 40 160 LEU 41 161 ARG 42 162 THR 43 163 VAL 44 164 GLN 45 165 GLN 46 166 ILE 47 167 PRO 48 168 GLY 49 169 VAL 50 170 GLY 51 171 LYS 52 172 VAL 53 173 LYS 54 174 ALA 55 175 PRO 56 176 LEU 57 177 LEU 58 178 LEU 59 179 GLN 60 180 LYS 61 181 PHE 62 182 PRO 63 183 SER 64 184 ILE 65 185 GLN 66 186 GLN 67 187 LEU 68 188 SER 69 189 ASN 70 190 ALA 71 191 SER 72 192 ILE 73 193 GLY 74 194 GLU 75 195 LEU 76 196 GLU 77 197 GLN 78 198 VAL 79 199 VAL 80 200 GLY 81 201 GLN 82 202 ALA 83 203 VAL 84 204 ALA 85 205 GLN 86 206 GLN 87 207 ILE 88 208 HIS 89 209 ALA 90 210 PHE 91 211 PHE 92 212 THR 93 213 GLN 94 214 PRO 95 215 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 19303 FAAP24_HhH2 64.21 63 100.00 100.00 1.27e-32 PDB 2LYH "Structure Of Faap24 Residues 141-215" 103.16 98 96.94 96.94 5.08e-56 PDB 2M9N "Solution Structure Of (hhh)2 Domain Of Human Faap24" 64.21 63 100.00 100.00 1.27e-32 PDB 4BXO "Architecture And Dna Recognition Elements Of The Fanconi Anemia Fancm-faap24 Complex" 77.89 217 100.00 100.00 7.63e-41 PDB 4M6W "Crystal Structure Of The C-terminal Segment Of Fancm In Complex With Faap24" 78.95 208 100.00 100.00 8.94e-42 DBJ BAG54708 "unnamed protein product [Homo sapiens]" 78.95 215 100.00 100.00 7.97e-42 GB AAH03535 "Chromosome 19 open reading frame 40 [Homo sapiens]" 78.95 215 100.00 100.00 7.97e-42 GB AAH10170 "Chromosome 19 open reading frame 40 [Homo sapiens]" 78.95 215 100.00 100.00 7.97e-42 GB AAH20247 "Chromosome 19 open reading frame 40 [Homo sapiens]" 78.95 215 100.00 100.00 7.97e-42 GB ADQ32151 "chromosome 19 open reading frame 40 [synthetic construct]" 78.95 215 100.00 100.00 7.97e-42 GB AIC52732 "C19orf40, partial [synthetic construct]" 78.95 215 100.00 100.00 7.97e-42 REF NP_001287907 "Fanconi anemia core complex-associated protein 24 isoform 2 [Homo sapiens]" 78.95 120 100.00 100.00 6.92e-43 REF NP_689479 "Fanconi anemia core complex-associated protein 24 isoform 1 [Homo sapiens]" 78.95 215 100.00 100.00 7.97e-42 REF XP_002762034 "PREDICTED: Fanconi anemia-associated protein of 24 kDa isoform X1 [Callithrix jacchus]" 78.95 215 97.33 98.67 4.91e-40 REF XP_003780763 "PREDICTED: LOW QUALITY PROTEIN: Fanconi anemia-associated protein of 24 kDa [Pongo abelii]" 78.95 215 100.00 100.00 9.78e-42 REF XP_003816251 "PREDICTED: Fanconi anemia core complex-associated protein 24 isoform X2 [Pan paniscus]" 78.95 215 100.00 100.00 8.50e-42 SP Q9BTP7 "RecName: Full=Fanconi anemia core complex-associated protein 24; AltName: Full=Fanconi anemia-associated protein of 24 kDa" 78.95 215 100.00 100.00 7.97e-42 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Faap24 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 $Faap24 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pLICHIS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Faap24 0.2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' PMSF 0.2 mM 'natural abundance' D2O 7 % 'natural abundance' H2O 93 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_WhatIF _Saveframe_category software _Name WhatIF _Version . loop_ _Vendor _Address _Electronic_address Vriend . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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 $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Faap24 _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 1 133 13 HIS HA H 4.549 0.003 1 2 133 13 HIS HB2 H 3.098 0.117 1 3 133 13 HIS HB3 H 3.003 0.148 1 4 133 13 HIS C C 172.275 0.023 1 5 133 13 HIS CA C 56.202 0.001 1 6 133 13 HIS CB C 30.294 0.006 1 7 134 14 MET H H 8.098 0.007 1 8 134 14 MET HA H 4.357 0.006 1 9 134 14 MET HB2 H 1.984 0.075 1 10 134 14 MET HB3 H 1.902 0.141 1 11 134 14 MET HG2 H 2.426 0.036 1 12 134 14 MET HG3 H 2.369 0.033 1 13 134 14 MET HE H 2.035 0.003 1 14 134 14 MET HE H 2.035 0.005 1 15 134 14 MET HE H 2.035 0.007 1 16 134 14 MET C C 172.968 0.010 1 17 134 14 MET CA C 55.497 0.013 1 18 134 14 MET CB C 32.805 0.011 1 19 134 14 MET CG C 31.841 0.015 1 20 134 14 MET CE C 16.858 0.058 1 21 134 14 MET N N 120.816 0.007 1 22 135 15 LEU H H 8.193 0.005 1 23 135 15 LEU HA H 4.321 0.004 1 24 135 15 LEU HB2 H 1.567 0.078 1 25 135 15 LEU HB3 H 1.567 0.111 1 26 135 15 LEU HG H 1.573 0.081 1 27 135 15 LEU HD1 H 0.883 0.053 1 28 135 15 LEU HD1 H 0.883 0.020 1 29 135 15 LEU HD1 H 0.883 0.004 1 30 135 15 LEU HD2 H 0.828 0.017 1 31 135 15 LEU HD2 H 0.828 0.008 1 32 135 15 LEU HD2 H 0.828 0.003 1 33 135 15 LEU C C 174.116 0.005 1 34 135 15 LEU CA C 55.163 0.101 1 35 135 15 LEU CB C 42.265 0.007 1 36 135 15 LEU CG C 27.032 0.000 1 37 135 15 LEU CD1 C 24.799 0.059 1 38 135 15 LEU CD2 C 23.507 0.107 1 39 135 15 LEU N N 123.498 0.097 1 40 136 16 VAL H H 8.018 0.008 1 41 136 16 VAL HA H 4.369 0.007 1 42 136 16 VAL HB H 2.018 0.008 1 43 136 16 VAL HG1 H 0.892 0.085 1 44 136 16 VAL HG1 H 0.892 0.010 1 45 136 16 VAL HG1 H 0.892 0.000 1 46 136 16 VAL HG2 H 0.892 0.121 1 47 136 16 VAL HG2 H 0.892 0.168 1 48 136 16 VAL HG2 H 0.892 0.001 1 49 136 16 VAL C C 171.506 0.000 1 50 136 16 VAL CA C 59.696 0.000 1 51 136 16 VAL CB C 32.731 0.024 1 52 136 16 VAL CG1 C 20.418 0.082 1 53 136 16 VAL CG2 C 20.418 0.104 1 54 136 16 VAL N N 122.469 0.053 1 55 137 17 PRO HA H 4.358 0.001 1 56 137 17 PRO HB2 H 2.182 0.042 1 57 137 17 PRO HB3 H 1.786 0.010 1 58 137 17 PRO C C 174.241 0.089 1 59 137 17 PRO CA C 63.031 0.008 1 60 137 17 PRO CB C 31.916 0.007 1 61 138 18 ARG H H 8.449 0.003 1 62 138 18 ARG HA H 4.247 0.001 1 63 138 18 ARG HB2 H 1.786 0.036 1 64 138 18 ARG HB3 H 1.786 0.003 1 65 138 18 ARG HG2 H 1.610 0.012 1 66 138 18 ARG HG3 H 1.610 0.003 1 67 138 18 ARG HD2 H 3.173 0.167 1 68 138 18 ARG HD3 H 3.173 0.033 1 69 138 18 ARG C C 174.361 0.074 1 70 138 18 ARG CA C 56.496 0.064 1 71 138 18 ARG CB C 30.731 0.003 1 72 138 18 ARG CG C 27.064 0.087 1 73 138 18 ARG CD C 43.300 0.000 1 74 138 18 ARG N N 121.990 0.103 1 75 139 19 GLY H H 8.485 0.110 1 76 139 19 GLY HA2 H 3.931 0.005 1 77 139 19 GLY HA3 H 3.898 0.008 1 78 139 19 GLY C C 171.411 0.087 1 79 139 19 GLY CA C 45.260 0.018 1 80 139 19 GLY N N 110.513 0.004 1 81 140 20 SER H H 8.156 0.049 1 82 140 20 SER C C 171.654 0.134 1 83 140 20 SER CA C 58.455 0.005 1 84 140 20 SER CB C 64.052 0.015 1 85 140 20 SER N N 115.549 0.086 1 86 141 21 SER H H 8.276 0.018 1 87 141 21 SER HA H 4.311 0.000 1 88 141 21 SER HB2 H 3.836 0.010 1 89 141 21 SER HB3 H 3.836 0.057 1 90 141 21 SER C C 172.089 0.005 1 91 141 21 SER CA C 58.751 0.003 1 92 141 21 SER CB C 63.675 0.005 1 93 141 21 SER N N 123.689 0.005 1 94 142 22 LYS H H 8.255 0.006 1 95 142 22 LYS HA H 4.281 0.004 1 96 142 22 LYS HB2 H 1.736 0.050 1 97 142 22 LYS HB3 H 1.736 0.004 1 98 142 22 LYS C C 173.230 0.000 1 99 142 22 LYS CA C 56.080 0.198 1 100 142 22 LYS CB C 32.971 0.099 1 101 142 22 LYS N N 122.762 0.008 1 102 143 23 ASN H H 8.251 0.015 1 103 143 23 ASN HA H 4.901 0.013 1 104 143 23 ASN HB2 H 2.834 0.018 1 105 143 23 ASN HB3 H 2.685 0.094 1 106 143 23 ASN HD21 H 7.693 0.149 1 107 143 23 ASN HD22 H 6.969 0.002 1 108 143 23 ASN C C 171.174 0.015 1 109 143 23 ASN CA C 51.156 0.071 1 110 143 23 ASN CB C 38.944 0.013 1 111 143 23 ASN N N 120.224 0.029 1 112 143 23 ASN ND2 N 112.903 0.063 1 113 144 24 PRO HA H 4.359 0.160 1 114 144 24 PRO HB2 H 2.280 0.009 1 115 144 24 PRO HB3 H 1.921 0.016 1 116 144 24 PRO C C 174.460 0.085 1 117 144 24 PRO CA C 63.616 0.019 1 118 144 24 PRO CB C 31.988 0.005 1 119 145 25 LEU H H 8.132 0.071 1 120 145 25 LEU HA H 4.232 0.004 1 121 145 25 LEU HB2 H 1.588 0.198 1 122 145 25 LEU HB3 H 1.588 0.006 1 123 145 25 LEU C C 174.882 0.000 1 124 145 25 LEU CA C 55.496 0.000 1 125 145 25 LEU CB C 41.789 0.003 1 126 145 25 LEU N N 120.059 0.061 1 127 146 26 LEU H H 7.768 0.013 1 128 146 26 LEU HA H 4.275 0.059 1 129 146 26 LEU HB2 H 1.622 0.080 1 130 146 26 LEU HB3 H 1.622 0.003 1 131 146 26 LEU C C 175.130 0.009 1 132 146 26 LEU CA C 55.386 0.027 1 133 146 26 LEU CB C 42.294 0.005 1 134 146 26 LEU N N 121.075 0.000 1 135 147 27 GLY H H 8.241 0.036 1 136 147 27 GLY HA2 H 3.898 0.067 1 137 147 27 GLY HA3 H 3.898 0.065 1 138 147 27 GLY C C 171.604 0.005 1 139 147 27 GLY CA C 45.416 0.008 1 140 147 27 GLY N N 109.343 0.090 1 141 148 28 LYS H H 8.080 0.005 1 142 148 28 LYS CA C 56.539 0.012 1 143 148 28 LYS CB C 32.892 0.036 1 144 148 28 LYS N N 120.898 0.038 1 145 149 29 LYS H H 8.278 0.003 1 146 149 29 LYS HA H 4.226 0.009 1 147 149 29 LYS HB2 H 1.756 0.008 1 148 149 29 LYS HB3 H 1.756 0.107 1 149 149 29 LYS HG2 H 1.433 0.013 1 150 149 29 LYS HG3 H 1.433 0.075 1 151 149 29 LYS C C 174.134 0.031 1 152 149 29 LYS CA C 56.672 0.005 1 153 149 29 LYS CB C 32.888 0.000 1 154 149 29 LYS N N 121.952 0.064 1 155 150 30 ARG H H 8.267 0.005 1 156 150 30 ARG HA H 4.194 0.000 1 157 150 30 ARG HB2 H 1.753 0.000 1 158 150 30 ARG HB3 H 1.753 0.062 1 159 150 30 ARG C C 173.380 0.086 1 160 150 30 ARG CA C 56.557 0.026 1 161 150 30 ARG CB C 30.691 0.003 1 162 150 30 ARG N N 122.068 0.008 1 163 151 31 ALA H H 8.233 0.007 1 164 151 31 ALA HA H 4.215 0.078 1 165 151 31 ALA HB H 1.339 0.007 1 166 151 31 ALA HB H 1.339 0.010 1 167 151 31 ALA HB H 1.339 0.014 1 168 151 31 ALA C C 175.013 0.075 1 169 151 31 ALA CA C 52.718 0.086 1 170 151 31 ALA CB C 19.103 0.005 1 171 151 31 ALA N N 124.570 0.011 1 172 152 32 LEU H H 8.074 0.108 1 173 152 32 LEU HA H 4.271 0.016 1 174 152 32 LEU HB2 H 1.577 0.007 1 175 152 32 LEU HB3 H 1.577 0.030 1 176 152 32 LEU HD1 H 0.884 0.067 1 177 152 32 LEU HD1 H 0.884 0.108 1 178 152 32 LEU HD1 H 0.884 0.003 1 179 152 32 LEU HD2 H 0.884 0.008 1 180 152 32 LEU HD2 H 0.884 0.071 1 181 152 32 LEU HD2 H 0.884 0.007 1 182 152 32 LEU C C 174.537 0.000 1 183 152 32 LEU CA C 55.483 0.201 1 184 152 32 LEU CB C 42.316 0.081 1 185 152 32 LEU N N 121.127 0.028 1 186 153 33 LEU H H 8.120 0.012 1 187 153 33 LEU HA H 4.259 0.012 1 188 153 33 LEU HB2 H 1.577 0.005 1 189 153 33 LEU HB3 H 1.577 0.009 1 190 153 33 LEU HD1 H 0.891 0.116 1 191 153 33 LEU HD1 H 0.891 0.012 1 192 153 33 LEU HD1 H 0.891 0.004 1 193 153 33 LEU HD2 H 0.840 0.132 1 194 153 33 LEU HD2 H 0.840 0.049 1 195 153 33 LEU HD2 H 0.840 0.058 1 196 153 33 LEU C C 174.440 0.040 1 197 153 33 LEU CA C 55.333 0.013 1 198 153 33 LEU CB C 42.213 0.005 1 199 153 33 LEU CD1 C 24.905 0.011 1 200 153 33 LEU N N 122.758 0.011 1 201 154 34 LEU H H 8.113 0.005 1 202 154 34 LEU HA H 4.335 0.008 1 203 154 34 LEU HB2 H 1.597 0.013 1 204 154 34 LEU HB3 H 1.597 0.167 1 205 154 34 LEU HD1 H 0.857 0.092 1 206 154 34 LEU HD1 H 0.857 0.006 1 207 154 34 LEU HD1 H 0.857 0.009 1 208 154 34 LEU HD2 H 0.857 0.010 1 209 154 34 LEU HD2 H 0.857 0.014 1 210 154 34 LEU HD2 H 0.857 0.094 1 211 154 34 LEU C C 174.442 0.004 1 212 154 34 LEU CA C 55.120 0.004 1 213 154 34 LEU CB C 42.321 0.078 1 214 154 34 LEU N N 122.436 0.079 1 215 155 35 SER H H 8.085 0.045 1 216 155 35 SER HA H 4.394 0.006 1 217 155 35 SER HB2 H 3.815 0.009 1 218 155 35 SER HB3 H 3.815 0.007 1 219 155 35 SER C C 171.305 0.016 1 220 155 35 SER CA C 58.354 0.156 1 221 155 35 SER CB C 63.907 0.004 1 222 155 35 SER N N 115.934 0.004 1 223 156 36 GLU H H 8.300 0.044 1 224 156 36 GLU HA H 4.524 0.051 1 225 156 36 GLU HB2 H 1.979 0.057 1 226 156 36 GLU HB3 H 1.859 0.068 1 227 156 36 GLU HG2 H 2.238 0.013 1 228 156 36 GLU HG3 H 2.238 0.011 1 229 156 36 GLU C C 172.238 0.005 1 230 156 36 GLU CA C 54.405 0.005 1 231 156 36 GLU CB C 29.734 0.009 1 232 156 36 GLU CG C 36.011 0.007 1 233 156 36 GLU N N 123.889 0.035 1 234 157 37 PRO HA H 4.367 0.000 1 235 157 37 PRO HB2 H 2.264 0.013 1 236 157 37 PRO HB3 H 1.898 0.011 1 237 157 37 PRO HG2 H 1.987 0.067 1 238 157 37 PRO HG3 H 1.987 0.061 1 239 157 37 PRO HD2 H 3.775 0.050 1 240 157 37 PRO HD3 H 3.677 0.103 1 241 157 37 PRO C C 175.106 0.006 1 242 157 37 PRO CA C 63.568 0.005 1 243 157 37 PRO CB C 32.072 0.100 1 244 157 37 PRO CG C 27.354 0.010 1 245 157 37 PRO CD C 50.775 0.008 1 246 158 38 SER H H 8.356 0.012 1 247 158 38 SER HA H 4.341 0.000 1 248 158 38 SER HB2 H 4.013 0.040 1 249 158 38 SER HB3 H 3.920 0.060 1 250 158 38 SER C C 173.174 0.029 1 251 158 38 SER CA C 59.035 0.006 1 252 158 38 SER CB C 63.401 0.004 1 253 158 38 SER N N 115.276 0.005 1 254 159 39 LEU H H 8.412 0.004 1 255 159 39 LEU HA H 4.164 0.079 1 256 159 39 LEU HB3 H 1.469 0.010 1 257 159 39 LEU HD1 H 0.927 0.143 1 258 159 39 LEU HD1 H 0.927 0.062 1 259 159 39 LEU HD1 H 0.927 0.022 1 260 159 39 LEU HD2 H 0.927 0.047 1 261 159 39 LEU HD2 H 0.927 0.005 1 262 159 39 LEU HD2 H 0.927 0.009 1 263 159 39 LEU C C 175.170 0.007 1 264 159 39 LEU CA C 57.937 0.008 1 265 159 39 LEU CB C 41.640 0.007 1 266 159 39 LEU CD1 C 23.676 0.040 1 267 159 39 LEU CD2 C 23.676 0.015 1 268 159 39 LEU N N 126.925 0.078 1 269 160 40 LEU H H 7.981 0.121 1 270 160 40 LEU HA H 3.833 0.093 1 271 160 40 LEU HB2 H 1.636 0.009 1 272 160 40 LEU HB3 H 1.638 0.010 1 273 160 40 LEU HG H 1.372 0.012 1 274 160 40 LEU HD1 H 0.812 0.010 1 275 160 40 LEU HD1 H 0.812 0.003 1 276 160 40 LEU HD1 H 0.812 0.006 1 277 160 40 LEU HD2 H 0.812 0.011 1 278 160 40 LEU HD2 H 0.812 0.014 1 279 160 40 LEU HD2 H 0.812 0.077 1 280 160 40 LEU C C 175.413 0.063 1 281 160 40 LEU CA C 58.492 0.012 1 282 160 40 LEU CB C 41.447 0.048 1 283 160 40 LEU CG C 27.028 0.128 1 284 160 40 LEU CD1 C 23.465 0.112 1 285 160 40 LEU CD2 C 23.465 0.006 1 286 160 40 LEU N N 118.775 0.007 1 287 161 41 ARG H H 7.712 0.014 1 288 161 41 ARG HA H 3.909 0.007 1 289 161 41 ARG HB2 H 1.823 0.008 1 290 161 41 ARG HB3 H 1.823 0.014 1 291 161 41 ARG HG2 H 1.627 0.113 1 292 161 41 ARG HG3 H 1.627 0.005 1 293 161 41 ARG HD2 H 3.159 0.000 1 294 161 41 ARG HD3 H 3.159 0.038 1 295 161 41 ARG C C 175.815 0.120 1 296 161 41 ARG CA C 59.036 0.028 1 297 161 41 ARG CB C 29.695 0.040 1 298 161 41 ARG CG C 27.232 0.034 1 299 161 41 ARG CD C 43.286 0.003 1 300 161 41 ARG N N 117.104 0.009 1 301 162 42 THR H H 7.891 0.006 1 302 162 42 THR HA H 3.820 0.004 1 303 162 42 THR HB H 4.396 0.010 1 304 162 42 THR HG2 H 1.219 0.008 1 305 162 42 THR HG2 H 1.219 0.013 1 306 162 42 THR HG2 H 1.219 0.118 1 307 162 42 THR C C 173.611 0.004 1 308 162 42 THR CA C 66.867 0.177 1 309 162 42 THR CB C 68.815 0.038 1 310 162 42 THR CG2 C 21.283 0.073 1 311 162 42 THR N N 115.756 0.117 1 312 163 43 VAL H H 8.151 0.005 1 313 163 43 VAL HA H 3.538 0.008 1 314 163 43 VAL HB H 2.051 0.009 1 315 163 43 VAL HG1 H 1.014 0.006 1 316 163 43 VAL HG1 H 1.014 0.010 1 317 163 43 VAL HG1 H 1.014 0.005 1 318 163 43 VAL HG2 H 0.926 0.013 1 319 163 43 VAL HG2 H 0.926 0.002 1 320 163 43 VAL HG2 H 0.926 0.018 1 321 163 43 VAL C C 174.644 0.004 1 322 163 43 VAL CA C 65.928 0.009 1 323 163 43 VAL CB C 31.644 0.008 1 324 163 43 VAL CG1 C 23.335 0.202 1 325 163 43 VAL CG2 C 22.621 0.008 1 326 163 43 VAL N N 118.971 0.044 1 327 164 44 GLN H H 8.198 0.083 1 328 164 44 GLN HA H 3.791 0.050 1 329 164 44 GLN HB2 H 2.146 0.022 1 330 164 44 GLN HB3 H 1.836 0.010 1 331 164 44 GLN HG2 H 2.436 0.006 1 332 164 44 GLN HG3 H 2.180 0.011 1 333 164 44 GLN HE21 H 7.242 0.003 1 334 164 44 GLN HE22 H 6.724 0.003 1 335 164 44 GLN C C 174.600 0.043 1 336 164 44 GLN CA C 58.194 0.009 1 337 164 44 GLN CB C 28.641 0.041 1 338 164 44 GLN CG C 34.284 0.007 1 339 164 44 GLN N N 116.280 0.007 1 340 164 44 GLN NE2 N 110.677 0.006 1 341 165 45 GLN H H 7.181 0.253 1 342 165 45 GLN HA H 4.075 0.009 1 343 165 45 GLN HB2 H 2.191 0.008 1 344 165 45 GLN HB3 H 2.040 0.077 1 345 165 45 GLN HG2 H 2.548 0.034 1 346 165 45 GLN HG3 H 2.392 0.047 1 347 165 45 GLN C C 173.327 0.057 1 348 165 45 GLN CA C 55.807 0.053 1 349 165 45 GLN CB C 29.171 0.008 1 350 165 45 GLN CG C 34.390 0.007 1 351 165 45 GLN N N 114.153 0.003 1 352 166 46 ILE H H 7.295 0.007 1 353 166 46 ILE HA H 3.475 0.066 1 354 166 46 ILE HB H 1.619 0.012 1 355 166 46 ILE HG12 H 1.512 0.006 1 356 166 46 ILE HG13 H -0.447 0.012 1 357 166 46 ILE HG2 H 0.536 0.006 1 358 166 46 ILE HG2 H 0.536 0.007 1 359 166 46 ILE HG2 H 0.536 0.081 1 360 166 46 ILE HD1 H 0.523 0.057 1 361 166 46 ILE HD1 H 0.523 0.094 1 362 166 46 ILE HD1 H 0.523 0.048 1 363 166 46 ILE C C 171.731 0.008 1 364 166 46 ILE CA C 60.504 0.008 1 365 166 46 ILE CB C 37.676 0.009 1 366 166 46 ILE CG1 C 26.829 0.003 1 367 166 46 ILE CG2 C 15.954 0.010 1 368 166 46 ILE CD1 C 14.859 0.031 1 369 166 46 ILE N N 125.188 0.000 1 370 167 47 PRO HA H 4.065 0.014 1 371 167 47 PRO HB2 H 2.195 0.126 1 372 167 47 PRO HB3 H 1.833 0.086 1 373 167 47 PRO HG2 H 2.084 0.095 1 374 167 47 PRO HG3 H 1.898 0.034 1 375 167 47 PRO HD2 H 3.860 0.071 1 376 167 47 PRO HD3 H 3.328 0.007 1 377 167 47 PRO C C 172.846 0.005 1 378 167 47 PRO CA C 64.504 0.012 1 379 167 47 PRO CB C 31.753 0.007 1 380 167 47 PRO CG C 27.810 0.008 1 381 167 47 PRO CD C 51.372 0.005 1 382 168 48 GLY H H 8.167 0.064 1 383 168 48 GLY HA2 H 4.199 0.008 1 384 168 48 GLY HA3 H 3.497 0.008 1 385 168 48 GLY C C 171.852 0.000 1 386 168 48 GLY CA C 45.089 0.053 1 387 168 48 GLY N N 108.505 0.028 1 388 169 49 VAL H H 7.752 0.004 1 389 169 49 VAL HA H 3.813 0.003 1 390 169 49 VAL HB H 2.293 0.012 1 391 169 49 VAL HG1 H 0.831 0.039 1 392 169 49 VAL HG1 H 0.831 0.009 1 393 169 49 VAL HG1 H 0.831 0.081 1 394 169 49 VAL HG2 H 0.586 0.082 1 395 169 49 VAL HG2 H 0.586 0.098 1 396 169 49 VAL HG2 H 0.586 0.085 1 397 169 49 VAL C C 173.601 0.005 1 398 169 49 VAL CA C 64.821 0.006 1 399 169 49 VAL CB C 30.891 0.009 1 400 169 49 VAL CG1 C 22.389 0.013 1 401 169 49 VAL CG2 C 23.328 0.005 1 402 169 49 VAL N N 120.690 0.006 1 403 170 50 GLY H H 7.621 0.004 1 404 170 50 GLY HA2 H 4.168 0.098 1 405 170 50 GLY HA3 H 4.085 0.043 1 406 170 50 GLY C C 171.139 0.111 1 407 170 50 GLY CA C 45.086 0.028 1 408 170 50 GLY N N 106.148 0.008 1 409 171 51 LYS H H 8.447 0.009 1 410 171 51 LYS HA H 3.919 0.010 1 411 171 51 LYS HB2 H 1.793 0.009 1 412 171 51 LYS HB3 H 1.793 0.007 1 413 171 51 LYS HG2 H 1.458 0.003 1 414 171 51 LYS HG3 H 1.325 0.011 1 415 171 51 LYS HD2 H 1.640 0.067 1 416 171 51 LYS HD3 H 1.640 0.008 1 417 171 51 LYS HE2 H 2.931 0.047 1 418 171 51 LYS HE3 H 2.931 0.108 1 419 171 51 LYS C C 175.899 0.116 1 420 171 51 LYS CA C 59.123 0.077 1 421 171 51 LYS CB C 33.035 0.005 1 422 171 51 LYS CG C 25.390 0.010 1 423 171 51 LYS CD C 29.529 0.011 1 424 171 51 LYS CE C 42.071 0.022 1 425 171 51 LYS N N 116.745 0.016 1 426 172 52 VAL H H 8.332 0.039 1 427 172 52 VAL HA H 3.846 0.012 1 428 172 52 VAL HB H 2.100 0.014 1 429 172 52 VAL HG1 H 0.995 0.062 1 430 172 52 VAL HG1 H 0.995 0.070 1 431 172 52 VAL HG1 H 0.995 0.032 1 432 172 52 VAL HG2 H 0.925 0.004 1 433 172 52 VAL HG2 H 0.925 0.012 1 434 172 52 VAL HG2 H 0.925 0.044 1 435 172 52 VAL C C 175.282 0.016 1 436 172 52 VAL CA C 65.146 0.035 1 437 172 52 VAL CB C 31.895 0.006 1 438 172 52 VAL CG1 C 22.200 0.079 1 439 172 52 VAL CG2 C 21.182 0.084 1 440 172 52 VAL N N 118.206 0.060 1 441 173 53 LYS H H 7.577 0.004 1 442 173 53 LYS HA H 4.263 0.006 1 443 173 53 LYS HB2 H 1.984 0.006 1 444 173 53 LYS HB3 H 1.666 0.010 1 445 173 53 LYS HG2 H 1.511 0.009 1 446 173 53 LYS HG3 H 1.511 0.005 1 447 173 53 LYS HD2 H 1.843 0.056 1 448 173 53 LYS HD3 H 1.717 0.011 1 449 173 53 LYS HE2 H 3.087 0.011 1 450 173 53 LYS HE3 H 3.087 0.061 1 451 173 53 LYS C C 174.708 0.094 1 452 173 53 LYS CA C 57.231 0.053 1 453 173 53 LYS CB C 33.157 0.036 1 454 173 53 LYS CG C 26.343 0.040 1 455 173 53 LYS CD C 29.328 0.005 1 456 173 53 LYS CE C 42.460 0.006 1 457 173 53 LYS N N 115.136 0.006 1 458 174 54 ALA H H 7.343 0.009 1 459 174 54 ALA HA H 3.891 0.011 1 460 174 54 ALA HB H 1.384 0.012 1 461 174 54 ALA HB H 1.384 0.063 1 462 174 54 ALA HB H 1.384 0.007 1 463 174 54 ALA C C 172.263 0.006 1 464 174 54 ALA CA C 57.246 0.000 1 465 174 54 ALA CB C 16.818 0.057 1 466 174 54 ALA N N 120.521 0.051 1 467 175 55 PRO HA H 4.139 0.078 1 468 175 55 PRO HB2 H 2.275 0.009 1 469 175 55 PRO HB3 H 1.787 0.006 1 470 175 55 PRO HG2 H 2.022 0.005 1 471 175 55 PRO HG3 H 1.932 0.005 1 472 175 55 PRO HD2 H 3.589 0.052 1 473 175 55 PRO HD3 H 3.589 0.014 1 474 175 55 PRO C C 176.337 0.007 1 475 175 55 PRO CA C 65.832 0.006 1 476 175 55 PRO CB C 31.012 0.063 1 477 175 55 PRO CG C 27.343 0.104 1 478 175 55 PRO CD C 50.653 0.041 1 479 176 56 LEU H H 6.713 0.058 1 480 176 56 LEU HA H 4.033 0.009 1 481 176 56 LEU HB2 H 1.811 0.011 1 482 176 56 LEU HB3 H 1.502 0.005 1 483 176 56 LEU HG H 1.701 0.005 1 484 176 56 LEU HD1 H 0.945 0.008 1 485 176 56 LEU HD1 H 0.945 0.001 1 486 176 56 LEU HD1 H 0.945 0.005 1 487 176 56 LEU HD2 H 0.872 0.002 1 488 176 56 LEU HD2 H 0.872 0.050 1 489 176 56 LEU HD2 H 0.872 0.109 1 490 176 56 LEU C C 177.160 0.007 1 491 176 56 LEU CA C 57.268 0.013 1 492 176 56 LEU CB C 41.489 0.010 1 493 176 56 LEU CG C 26.995 0.007 1 494 176 56 LEU CD1 C 25.006 0.141 1 495 176 56 LEU N N 116.309 0.010 1 496 177 57 LEU H H 7.660 0.062 1 497 177 57 LEU HA H 4.062 0.033 1 498 177 57 LEU HB2 H 1.846 0.036 1 499 177 57 LEU HB3 H 1.633 0.078 1 500 177 57 LEU HG H 1.654 0.040 1 501 177 57 LEU HD1 H 0.850 0.005 1 502 177 57 LEU HD2 H 0.850 0.008 1 503 177 57 LEU HD2 H 0.850 0.007 1 504 177 57 LEU HD2 H 0.850 0.003 1 505 177 57 LEU C C 175.631 0.009 1 506 177 57 LEU CA C 57.865 0.074 1 507 177 57 LEU CB C 42.542 0.004 1 508 177 57 LEU CG C 26.854 0.082 1 509 177 57 LEU CD1 C 26.288 0.096 1 510 177 57 LEU CD2 C 26.288 0.055 1 511 177 57 LEU N N 118.755 0.005 1 512 178 58 LEU H H 7.764 0.007 1 513 178 58 LEU HA H 4.134 0.008 1 514 178 58 LEU HB2 H 1.579 0.005 1 515 178 58 LEU HB3 H 1.579 0.001 1 516 178 58 LEU HD1 H 0.863 0.008 1 517 178 58 LEU HD1 H 0.863 0.042 1 518 178 58 LEU HD1 H 0.863 0.002 1 519 178 58 LEU HD2 H 0.863 0.006 1 520 178 58 LEU HD2 H 0.863 0.048 1 521 178 58 LEU HD2 H 0.863 0.058 1 522 178 58 LEU C C 175.473 0.066 1 523 178 58 LEU CA C 56.561 0.062 1 524 178 58 LEU CB C 41.530 0.009 1 525 178 58 LEU CD1 C 23.616 0.009 1 526 178 58 LEU CD2 C 23.616 0.007 1 527 178 58 LEU N N 117.692 0.007 1 528 179 59 GLN H H 7.400 0.003 1 529 179 59 GLN HA H 3.927 0.008 1 530 179 59 GLN HB2 H 2.076 0.013 1 531 179 59 GLN HB3 H 2.024 0.012 1 532 179 59 GLN HG2 H 2.461 0.098 1 533 179 59 GLN HG3 H 2.317 0.052 1 534 179 59 GLN C C 174.539 0.004 1 535 179 59 GLN CA C 58.155 0.073 1 536 179 59 GLN CB C 28.664 0.049 1 537 179 59 GLN CG C 33.996 0.072 1 538 179 59 GLN N N 116.247 0.043 1 539 180 60 LYS H H 6.811 0.039 1 540 180 60 LYS HA H 3.929 0.004 1 541 180 60 LYS HB2 H 1.390 0.007 1 542 180 60 LYS HB3 H 1.026 0.009 1 543 180 60 LYS HG2 H 0.851 0.009 1 544 180 60 LYS HG3 H 0.851 0.014 1 545 180 60 LYS HD2 H 1.379 0.004 1 546 180 60 LYS HD3 H 1.379 0.008 1 547 180 60 LYS HE2 H 2.802 0.041 1 548 180 60 LYS HE3 H 2.758 0.004 1 549 180 60 LYS C C 172.875 0.054 1 550 180 60 LYS CA C 56.402 0.030 1 551 180 60 LYS CB C 33.473 0.004 1 552 180 60 LYS CG C 24.657 0.005 1 553 180 60 LYS CD C 28.276 0.003 1 554 180 60 LYS CE C 42.022 0.002 1 555 180 60 LYS N N 116.455 0.155 1 556 181 61 PHE H H 8.188 0.011 1 557 181 61 PHE HA H 4.876 0.061 1 558 181 61 PHE HB2 H 3.103 0.066 1 559 181 61 PHE HB3 H 2.443 0.005 1 560 181 61 PHE HD1 H 7.173 0.012 1 561 181 61 PHE HD2 H 7.173 0.005 1 562 181 61 PHE HE1 H 7.297 0.004 1 563 181 61 PHE HE2 H 7.297 0.010 1 564 181 61 PHE C C 169.426 0.002 1 565 181 61 PHE CA C 53.706 0.083 1 566 181 61 PHE CB C 39.639 0.029 1 567 181 61 PHE CD1 C 130.901 0.006 1 568 181 61 PHE CD2 C 130.901 0.048 1 569 181 61 PHE N N 117.211 0.038 1 570 182 62 PRO HA H 4.725 0.005 1 571 182 62 PRO HB2 H 2.254 0.006 1 572 182 62 PRO HB3 H 2.131 0.005 1 573 182 62 PRO HG2 H 1.839 0.101 1 574 182 62 PRO HG3 H 1.839 0.006 1 575 182 62 PRO HD2 H 3.459 0.037 1 576 182 62 PRO HD3 H 3.200 0.087 1 577 182 62 PRO C C 173.784 0.005 1 578 182 62 PRO CA C 64.786 0.007 1 579 182 62 PRO CB C 31.535 0.004 1 580 182 62 PRO CG C 26.859 0.004 1 581 182 62 PRO CD C 50.213 0.040 1 582 183 63 SER H H 7.600 0.011 1 583 183 63 SER HA H 4.713 0.132 1 584 183 63 SER HB2 H 4.209 0.072 1 585 183 63 SER HB3 H 3.962 0.058 1 586 183 63 SER C C 171.493 0.033 1 587 183 63 SER CA C 56.596 0.051 1 588 183 63 SER CB C 66.911 0.005 1 589 183 63 SER N N 111.938 0.011 1 590 184 64 ILE H H 9.208 0.006 1 591 184 64 ILE HA H 3.721 0.008 1 592 184 64 ILE HB H 1.902 0.008 1 593 184 64 ILE HG12 H 1.563 0.007 1 594 184 64 ILE HG13 H 1.381 0.005 1 595 184 64 ILE HG2 H 0.943 0.052 1 596 184 64 ILE HG2 H 0.943 0.006 1 597 184 64 ILE HG2 H 0.943 0.055 1 598 184 64 ILE HD1 H 0.927 0.005 1 599 184 64 ILE HD1 H 0.927 0.006 1 600 184 64 ILE HD1 H 0.927 0.007 1 601 184 64 ILE C C 175.198 0.220 1 602 184 64 ILE CA C 63.370 0.005 1 603 184 64 ILE CB C 37.080 0.009 1 604 184 64 ILE CG1 C 29.029 0.109 1 605 184 64 ILE CG2 C 17.595 0.070 1 606 184 64 ILE CD1 C 12.391 0.011 1 607 184 64 ILE N N 122.582 0.004 1 608 185 65 GLN H H 8.658 0.008 1 609 185 65 GLN HA H 3.828 0.005 1 610 185 65 GLN HB2 H 2.034 0.007 1 611 185 65 GLN HB3 H 1.913 0.041 1 612 185 65 GLN HG2 H 2.354 0.000 1 613 185 65 GLN HG3 H 2.309 0.003 1 614 185 65 GLN C C 175.550 0.010 1 615 185 65 GLN CA C 59.681 0.093 1 616 185 65 GLN CB C 27.655 0.085 1 617 185 65 GLN CG C 33.778 0.105 1 618 185 65 GLN N N 121.937 0.100 1 619 186 66 GLN H H 7.695 0.083 1 620 186 66 GLN HA H 4.022 0.006 1 621 186 66 GLN HB2 H 2.283 0.008 1 622 186 66 GLN HB3 H 1.967 0.010 1 623 186 66 GLN HG2 H 2.506 0.008 1 624 186 66 GLN HG3 H 2.278 0.009 1 625 186 66 GLN HE21 H 7.740 0.009 1 626 186 66 GLN HE22 H 7.069 0.006 1 627 186 66 GLN C C 176.013 0.039 1 628 186 66 GLN CA C 58.967 0.004 1 629 186 66 GLN CB C 29.740 0.080 1 630 186 66 GLN CG C 35.638 0.147 1 631 186 66 GLN N N 116.878 0.096 1 632 186 66 GLN NE2 N 113.148 0.008 1 633 187 67 LEU H H 8.034 0.007 1 634 187 67 LEU HA H 3.496 0.009 1 635 187 67 LEU HB2 H 1.461 0.008 1 636 187 67 LEU HB3 H 1.261 0.048 1 637 187 67 LEU HG H 1.533 0.009 1 638 187 67 LEU HD1 H 0.772 0.002 1 639 187 67 LEU HD1 H 0.772 0.010 1 640 187 67 LEU HD1 H 0.772 0.107 1 641 187 67 LEU HD2 H 0.666 0.099 1 642 187 67 LEU HD2 H 0.666 0.095 1 643 187 67 LEU HD2 H 0.666 0.003 1 644 187 67 LEU C C 174.815 0.012 1 645 187 67 LEU CA C 57.975 0.011 1 646 187 67 LEU CB C 41.924 0.005 1 647 187 67 LEU CG C 26.878 0.012 1 648 187 67 LEU CD1 C 26.238 0.010 1 649 187 67 LEU CD2 C 25.171 0.061 1 650 187 67 LEU N N 120.828 0.013 1 651 188 68 SER H H 8.082 0.004 1 652 188 68 SER HA H 3.205 0.092 1 653 188 68 SER HB2 H 3.467 0.087 1 654 188 68 SER HB3 H 3.217 0.049 1 655 188 68 SER C C 171.627 0.035 1 656 188 68 SER CA C 60.624 0.007 1 657 188 68 SER CB C 62.962 0.005 1 658 188 68 SER N N 111.340 0.005 1 659 189 69 ASN H H 6.988 0.004 1 660 189 69 ASN HA H 4.702 0.011 1 661 189 69 ASN HB2 H 2.814 0.089 1 662 189 69 ASN HB3 H 2.561 0.005 1 663 189 69 ASN HD21 H 7.586 0.039 1 664 189 69 ASN HD22 H 6.845 0.115 1 665 189 69 ASN C C 171.873 0.090 1 666 189 69 ASN CA C 52.786 0.092 1 667 189 69 ASN CB C 40.082 0.005 1 668 189 69 ASN N N 116.522 0.006 1 669 189 69 ASN ND2 N 113.522 0.010 1 670 190 70 ALA H H 6.904 0.005 1 671 190 70 ALA HA H 4.172 0.010 1 672 190 70 ALA HB H 0.858 0.236 1 673 190 70 ALA HB H 0.858 0.013 1 674 190 70 ALA HB H 0.858 0.001 1 675 190 70 ALA C C 174.825 0.092 1 676 190 70 ALA CA C 52.558 0.004 1 677 190 70 ALA CB C 19.092 0.011 1 678 190 70 ALA N N 124.523 0.008 1 679 191 71 SER H H 8.837 0.148 1 680 191 71 SER HA H 4.417 0.027 1 681 191 71 SER HB2 H 4.236 0.043 1 682 191 71 SER HB3 H 4.039 0.087 1 683 191 71 SER C C 172.472 0.027 1 684 191 71 SER CA C 57.063 0.008 1 685 191 71 SER CB C 65.194 0.007 1 686 191 71 SER N N 118.882 0.004 1 687 192 72 ILE H H 8.719 0.012 1 688 192 72 ILE HA H 3.554 0.001 1 689 192 72 ILE HB H 1.640 0.005 1 690 192 72 ILE HG12 H 1.269 0.039 1 691 192 72 ILE HG13 H 0.949 0.007 1 692 192 72 ILE HG2 H 0.791 0.009 1 693 192 72 ILE HG2 H 0.791 0.008 1 694 192 72 ILE HG2 H 0.791 0.079 1 695 192 72 ILE HD1 H 0.552 0.068 1 696 192 72 ILE HD1 H 0.552 0.006 1 697 192 72 ILE HD1 H 0.552 0.003 1 698 192 72 ILE C C 175.254 0.011 1 699 192 72 ILE CA C 64.530 0.059 1 700 192 72 ILE CB C 36.929 0.015 1 701 192 72 ILE CG1 C 28.786 0.086 1 702 192 72 ILE CG2 C 17.446 0.120 1 703 192 72 ILE CD1 C 11.977 0.022 1 704 192 72 ILE N N 121.469 0.067 1 705 193 73 GLY H H 8.480 0.004 1 706 193 73 GLY HA2 H 3.835 0.005 1 707 193 73 GLY HA3 H 3.794 0.005 1 708 193 73 GLY C C 174.145 0.002 1 709 193 73 GLY CA C 46.862 0.003 1 710 193 73 GLY N N 106.731 0.040 1 711 194 74 GLU H H 7.699 0.006 1 712 194 74 GLU HA H 4.132 0.039 1 713 194 74 GLU HB2 H 2.354 0.039 1 714 194 74 GLU HB3 H 2.150 0.004 1 715 194 74 GLU HG2 H 2.360 0.004 1 716 194 74 GLU HG3 H 2.360 0.003 1 717 194 74 GLU C C 177.310 0.070 1 718 194 74 GLU CA C 59.150 0.029 1 719 194 74 GLU CB C 30.467 0.035 1 720 194 74 GLU CG C 37.606 0.126 1 721 194 74 GLU N N 121.047 0.078 1 722 195 75 LEU H H 8.097 0.006 1 723 195 75 LEU HA H 4.002 0.005 1 724 195 75 LEU HB2 H 2.095 0.008 1 725 195 75 LEU HB3 H 0.984 0.005 1 726 195 75 LEU HG H 1.568 0.099 1 727 195 75 LEU HD1 H 0.850 0.011 1 728 195 75 LEU HD1 H 0.850 0.023 1 729 195 75 LEU HD1 H 0.850 0.069 1 730 195 75 LEU HD2 H 0.442 0.154 1 731 195 75 LEU HD2 H 0.442 0.085 1 732 195 75 LEU HD2 H 0.442 0.004 1 733 195 75 LEU C C 177.328 0.005 1 734 195 75 LEU CA C 57.922 0.003 1 735 195 75 LEU CB C 43.573 0.006 1 736 195 75 LEU CG C 26.371 0.042 1 737 195 75 LEU CD1 C 25.912 0.019 1 738 195 75 LEU CD2 C 23.174 0.007 1 739 195 75 LEU N N 119.422 0.074 1 740 196 76 GLU H H 9.227 0.065 1 741 196 76 GLU HA H 3.690 0.115 1 742 196 76 GLU HB2 H 2.025 0.074 1 743 196 76 GLU HB3 H 2.025 0.064 1 744 196 76 GLU HG2 H 2.201 0.005 1 745 196 76 GLU HG3 H 2.118 0.007 1 746 196 76 GLU C C 175.754 0.009 1 747 196 76 GLU CA C 58.911 0.011 1 748 196 76 GLU CB C 29.121 0.007 1 749 196 76 GLU CG C 36.225 0.010 1 750 196 76 GLU N N 121.048 0.011 1 751 197 77 GLN H H 7.195 0.068 1 752 197 77 GLN HA H 4.045 0.007 1 753 197 77 GLN HB2 H 2.217 0.099 1 754 197 77 GLN HB3 H 2.088 0.091 1 755 197 77 GLN HG2 H 2.614 0.000 1 756 197 77 GLN HG3 H 2.502 0.006 1 757 197 77 GLN C C 173.330 0.009 1 758 197 77 GLN CA C 58.040 0.006 1 759 197 77 GLN CB C 28.990 0.004 1 760 197 77 GLN CG C 33.961 0.012 1 761 197 77 GLN N N 116.225 0.059 1 762 198 78 VAL H H 7.595 0.024 1 763 198 78 VAL HA H 4.177 0.006 1 764 198 78 VAL HB H 2.130 0.063 1 765 198 78 VAL HG1 H 1.092 0.013 1 766 198 78 VAL HG1 H 1.092 0.036 1 767 198 78 VAL HG1 H 1.092 0.007 1 768 198 78 VAL HG2 H 0.969 0.008 1 769 198 78 VAL HG2 H 0.969 0.068 1 770 198 78 VAL HG2 H 0.969 0.017 1 771 198 78 VAL C C 174.247 0.052 1 772 198 78 VAL CA C 63.886 0.081 1 773 198 78 VAL CB C 33.828 0.098 1 774 198 78 VAL CG1 C 21.933 0.045 1 775 198 78 VAL CG2 C 22.417 0.004 1 776 198 78 VAL N N 114.843 0.006 1 777 199 79 VAL H H 7.741 0.004 1 778 199 79 VAL HA H 4.682 0.007 1 779 199 79 VAL HB H 2.439 0.039 1 780 199 79 VAL HG1 H 0.868 0.013 1 781 199 79 VAL HG1 H 0.868 0.010 1 782 199 79 VAL HG1 H 0.868 0.007 1 783 199 79 VAL HG2 H 0.815 0.014 1 784 199 79 VAL HG2 H 0.815 0.079 1 785 199 79 VAL HG2 H 0.815 0.093 1 786 199 79 VAL C C 173.590 0.053 1 787 199 79 VAL CA C 60.622 0.005 1 788 199 79 VAL CB C 34.026 0.007 1 789 199 79 VAL CG1 C 22.609 0.009 1 790 199 79 VAL CG2 C 17.713 0.013 1 791 199 79 VAL N N 106.257 0.100 1 792 200 80 GLY H H 8.120 0.012 1 793 200 80 GLY HA2 H 4.496 0.003 1 794 200 80 GLY HA3 H 3.984 0.006 1 795 200 80 GLY C C 170.792 0.106 1 796 200 80 GLY CA C 44.883 0.043 1 797 200 80 GLY N N 111.054 0.066 1 798 201 81 GLN H H 8.661 0.008 1 799 201 81 GLN HA H 3.742 0.010 1 800 201 81 GLN HB2 H 2.122 0.008 1 801 201 81 GLN HB3 H 2.027 0.004 1 802 201 81 GLN HG2 H 2.343 0.173 1 803 201 81 GLN HG3 H 2.259 0.000 1 804 201 81 GLN C C 174.447 0.059 1 805 201 81 GLN CA C 60.615 0.049 1 806 201 81 GLN CB C 29.192 0.098 1 807 201 81 GLN CG C 33.955 0.011 1 808 201 81 GLN N N 119.321 0.007 1 809 202 82 ALA H H 8.447 0.016 1 810 202 82 ALA HA H 4.086 0.010 1 811 202 82 ALA HB H 1.433 0.072 1 812 202 82 ALA HB H 1.433 0.006 1 813 202 82 ALA HB H 1.433 0.005 1 814 202 82 ALA C C 178.658 0.083 1 815 202 82 ALA CA C 55.675 0.135 1 816 202 82 ALA CB C 18.003 0.076 1 817 202 82 ALA N N 121.961 0.033 1 818 203 83 VAL H H 8.540 0.018 1 819 203 83 VAL HA H 3.761 0.007 1 820 203 83 VAL HB H 1.787 0.014 1 821 203 83 VAL HG1 H 1.085 0.012 1 822 203 83 VAL HG1 H 1.085 0.014 1 823 203 83 VAL HG1 H 1.085 0.009 1 824 203 83 VAL HG2 H 0.826 0.000 1 825 203 83 VAL HG2 H 0.826 0.046 1 826 203 83 VAL HG2 H 0.826 0.080 1 827 203 83 VAL C C 175.289 0.089 1 828 203 83 VAL CA C 65.398 0.020 1 829 203 83 VAL CB C 31.051 0.006 1 830 203 83 VAL CG1 C 23.546 0.012 1 831 203 83 VAL CG2 C 22.136 0.007 1 832 203 83 VAL N N 118.956 0.007 1 833 204 84 ALA H H 8.025 0.152 1 834 204 84 ALA HA H 3.738 0.008 1 835 204 84 ALA HB H 1.415 0.009 1 836 204 84 ALA HB H 1.415 0.003 1 837 204 84 ALA HB H 1.415 0.117 1 838 204 84 ALA C C 176.373 0.148 1 839 204 84 ALA CA C 56.002 0.023 1 840 204 84 ALA CB C 20.101 0.001 1 841 204 84 ALA N N 122.844 0.006 1 842 205 85 GLN H H 7.824 0.007 1 843 205 85 GLN HA H 3.907 0.006 1 844 205 85 GLN HB2 H 2.186 0.075 1 845 205 85 GLN HB3 H 2.186 0.141 1 846 205 85 GLN HG2 H 2.574 0.036 1 847 205 85 GLN HG3 H 2.445 0.033 1 848 205 85 GLN C C 176.477 0.003 1 849 205 85 GLN CA C 59.128 0.005 1 850 205 85 GLN CB C 28.032 0.007 1 851 205 85 GLN CG C 33.713 0.010 1 852 205 85 GLN N N 114.385 0.013 1 853 206 86 GLN H H 7.467 0.011 1 854 206 86 GLN HA H 4.093 0.015 1 855 206 86 GLN HB2 H 2.244 0.058 1 856 206 86 GLN HB3 H 2.244 0.007 1 857 206 86 GLN HG2 H 2.454 0.005 1 858 206 86 GLN HG3 H 2.408 0.004 1 859 206 86 GLN C C 176.612 0.078 1 860 206 86 GLN CA C 59.089 0.111 1 861 206 86 GLN CB C 28.639 0.081 1 862 206 86 GLN CG C 34.179 0.053 1 863 206 86 GLN N N 119.529 0.020 1 864 207 87 ILE H H 8.548 0.004 1 865 207 87 ILE HA H 3.576 0.017 1 866 207 87 ILE HB H 1.940 0.008 1 867 207 87 ILE HG12 H 1.865 0.003 1 868 207 87 ILE HG13 H 0.824 0.005 1 869 207 87 ILE HG2 H 1.014 0.101 1 870 207 87 ILE HG2 H 1.014 0.007 1 871 207 87 ILE HG2 H 1.014 0.000 1 872 207 87 ILE HD1 H 0.813 0.059 1 873 207 87 ILE HD1 H 0.813 0.107 1 874 207 87 ILE HD1 H 0.813 0.097 1 875 207 87 ILE C C 174.200 0.008 1 876 207 87 ILE CA C 65.601 0.007 1 877 207 87 ILE CB C 38.245 0.008 1 878 207 87 ILE CG1 C 28.859 0.085 1 879 207 87 ILE CG2 C 17.876 0.010 1 880 207 87 ILE CD1 C 17.160 0.000 1 881 207 87 ILE N N 121.512 0.121 1 882 208 88 HIS H H 8.305 0.168 1 883 208 88 HIS HA H 4.389 0.001 1 884 208 88 HIS HB2 H 3.135 0.000 1 885 208 88 HIS HB3 H 3.029 0.000 1 886 208 88 HIS HD2 H 7.214 0.024 1 887 208 88 HIS C C 175.924 0.082 1 888 208 88 HIS CA C 60.063 0.104 1 889 208 88 HIS CB C 29.758 0.053 1 890 208 88 HIS CD2 C 120.492 0.001 1 891 208 88 HIS N N 117.504 0.042 1 892 209 89 ALA H H 8.244 0.010 1 893 209 89 ALA HA H 3.990 0.089 1 894 209 89 ALA HB H 1.505 0.008 1 895 209 89 ALA HB H 1.505 0.007 1 896 209 89 ALA HB H 1.505 0.003 1 897 209 89 ALA C C 176.760 0.001 1 898 209 89 ALA CA C 54.878 0.036 1 899 209 89 ALA CB C 18.149 0.003 1 900 209 89 ALA N N 120.769 0.012 1 901 210 90 PHE H H 7.903 0.003 1 902 210 90 PHE HA H 4.009 0.167 1 903 210 90 PHE HB2 H 3.025 0.033 1 904 210 90 PHE HB3 H 2.965 0.074 1 905 210 90 PHE HD1 H 6.166 0.064 1 906 210 90 PHE HD2 H 6.166 0.003 1 907 210 90 PHE HE1 H 6.891 0.087 1 908 210 90 PHE HE2 H 6.891 0.000 1 909 210 90 PHE C C 174.749 0.103 1 910 210 90 PHE CA C 61.281 0.110 1 911 210 90 PHE CB C 39.234 0.005 1 912 210 90 PHE CD1 C 131.506 0.008 1 913 210 90 PHE CD2 C 131.506 0.087 1 914 210 90 PHE CE1 C 131.078 0.018 1 915 210 90 PHE CE2 C 131.078 0.004 1 916 210 90 PHE N N 119.492 0.049 1 917 211 91 PHE H H 7.491 0.134 1 918 211 91 PHE HA H 4.376 0.005 1 919 211 91 PHE HB2 H 3.410 0.015 1 920 211 91 PHE HB3 H 2.832 0.086 1 921 211 91 PHE HD1 H 7.458 0.018 1 922 211 91 PHE HD2 H 7.458 0.000 1 923 211 91 PHE HE1 H 7.179 0.010 1 924 211 91 PHE HE2 H 7.179 0.057 1 925 211 91 PHE C C 173.560 0.005 1 926 211 91 PHE CA C 60.418 0.003 1 927 211 91 PHE CB C 39.638 0.005 1 928 211 91 PHE CD1 C 132.570 0.005 1 929 211 91 PHE CD2 C 132.570 0.006 1 930 211 91 PHE N N 113.158 0.004 1 931 212 92 THR H H 7.543 0.050 1 932 212 92 THR HA H 4.322 0.004 1 933 212 92 THR HB H 4.128 0.000 1 934 212 92 THR HG2 H 1.020 0.198 1 935 212 92 THR HG2 H 1.020 0.099 1 936 212 92 THR HG2 H 1.020 0.008 1 937 212 92 THR C C 171.555 0.015 1 938 212 92 THR CA C 62.668 0.013 1 939 212 92 THR CB C 69.933 0.018 1 940 212 92 THR CG2 C 21.257 0.094 1 941 212 92 THR N N 111.345 0.149 1 942 213 93 GLN H H 7.684 0.002 1 943 213 93 GLN HA H 4.547 0.015 1 944 213 93 GLN HB2 H 1.975 0.071 1 945 213 93 GLN HB3 H 1.900 0.013 1 946 213 93 GLN HG2 H 2.317 0.029 1 947 213 93 GLN HG3 H 2.317 0.063 1 948 213 93 GLN C C 170.915 0.160 1 949 213 93 GLN CA C 53.866 0.009 1 950 213 93 GLN CB C 28.679 0.016 1 951 213 93 GLN CG C 33.556 0.085 1 952 213 93 GLN N N 123.165 0.019 1 953 214 94 PRO HA H 4.330 0.005 1 954 214 94 PRO HB2 H 2.221 0.071 1 955 214 94 PRO HB3 H 1.864 0.004 1 956 214 94 PRO HG2 H 1.978 0.198 1 957 214 94 PRO HG3 H 1.978 0.006 1 958 214 94 PRO HD2 H 3.757 0.000 1 959 214 94 PRO HD3 H 3.575 0.000 1 960 214 94 PRO C C 173.308 0.003 1 961 214 94 PRO CA C 63.434 0.061 1 962 214 94 PRO CB C 31.934 0.013 1 963 214 94 PRO CG C 27.474 0.059 1 964 214 94 PRO CD C 50.656 0.080 1 965 215 95 ARG H H 7.943 0.003 1 966 215 95 ARG HA H 4.120 0.009 1 967 215 95 ARG HB2 H 1.786 0.027 1 968 215 95 ARG HB3 H 1.628 0.005 1 969 215 95 ARG HG2 H 1.513 0.000 1 970 215 95 ARG HG3 H 1.513 0.036 1 971 215 95 ARG HD2 H 3.041 0.067 1 972 215 95 ARG HD3 H 3.041 0.065 1 973 215 95 ARG C C 178.261 0.005 1 974 215 95 ARG CA C 57.149 0.008 1 975 215 95 ARG CB C 31.688 0.090 1 976 215 95 ARG CG C 27.031 0.005 1 977 215 95 ARG CD C 43.394 0.012 1 978 215 95 ARG N N 126.801 0.036 1 stop_ save_