data_34047 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the N-terminal domain of the Bacteriophage T5 decoration protein pb10 ; _BMRB_accession_number 34047 _BMRB_flat_file_name bmr34047.str _Entry_type original _Submission_date 2016-09-22 _Accession_date 2016-09-22 _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 Vernhes E. . . 2 Gilquin B. . . 3 Cuniasse P. . . 4 Boulanger P. . . 5 Zinn-justin S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 441 "13C chemical shifts" 332 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-17 update BMRB 'update entry citation' 2017-04-13 original author 'original release' stop_ _Original_release_date 2016-11-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28165000 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vernhes Emeline . . 2 Renouard Madalena . . 3 Gilquin Bernard . . 4 Cuniasse Philippe . . 5 Durand Dominique . . 6 England Patrick . . 7 Hoos Sylviane . . 8 Huet Alexis . . 9 Conway James F. . 10 Glukhov Anatoly . . 11 Ksenzenko Vladimir . . 12 Jacquet Eric . . 13 Nhiri Naima . . 14 Zinn-Justin Sophie . . 15 Boulanger Pascale . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 7 _Journal_issue . _Journal_ISSN 2045-2322 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 41662 _Page_last 41662 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Decoration protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Decoration protein' _Molecular_mass 9758.273 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; MGIDYSGLRTIFGEKLPESH IFFATVAAHKYVPSYAFLRR ELGLSSAHTNRKVWKKFVEA YGKAIPPAPPAPPLTLSKLE HHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 GLY 3 2 ILE 4 3 ASP 5 4 TYR 6 5 SER 7 6 GLY 8 7 LEU 9 8 ARG 10 9 THR 11 10 ILE 12 11 PHE 13 12 GLY 14 13 GLU 15 14 LYS 16 15 LEU 17 16 PRO 18 17 GLU 19 18 SER 20 19 HIS 21 20 ILE 22 21 PHE 23 22 PHE 24 23 ALA 25 24 THR 26 25 VAL 27 26 ALA 28 27 ALA 29 28 HIS 30 29 LYS 31 30 TYR 32 31 VAL 33 32 PRO 34 33 SER 35 34 TYR 36 35 ALA 37 36 PHE 38 37 LEU 39 38 ARG 40 39 ARG 41 40 GLU 42 41 LEU 43 42 GLY 44 43 LEU 45 44 SER 46 45 SER 47 46 ALA 48 47 HIS 49 48 THR 50 49 ASN 51 50 ARG 52 51 LYS 53 52 VAL 54 53 TRP 55 54 LYS 56 55 LYS 57 56 PHE 58 57 VAL 59 58 GLU 60 59 ALA 61 60 TYR 62 61 GLY 63 62 LYS 64 63 ALA 65 64 ILE 66 65 PRO 67 66 PRO 68 67 ALA 69 68 PRO 70 69 PRO 71 70 ALA 72 71 PRO 73 72 PRO 74 73 LEU 75 74 THR 76 75 LEU 77 76 SER 78 77 LYS 79 78 LEU 80 79 GLU 81 80 HIS 82 81 HIS 83 82 HIS 84 83 HIS 85 84 HIS 86 85 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Escherichia phage T5' 10726 Viruses . T5virus . 'N5, T5.151, T5p147' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _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_software_3 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name INCA _Version . loop_ _Vendor _Address _Electronic_address 'Savarin P., Zinn-Justin S., Gilquin B., 19,2001, J. Biomol NMR, pp. 49-62' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX600 _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX700 _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HSQC' _Sample_label $sample_1 save_ save_3D_TOCSY-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TOCSY-NOESY' _Sample_label $sample_1 save_ save_3D_HN-HA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN-HA' _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_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(COCA)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)' _Sample_label $sample_1 save_ save_3D_HN(CA)NNH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)NNH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.2 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 carbons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 nitrogen ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D HSQC' '3D TOCSY-NOESY' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CA)CO' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 0 1 MET HA H 3.924 0.00 1 2 0 1 MET HB2 H 2.026 0.00 2 3 0 1 MET HB3 H 2.062 0.00 2 4 0 1 MET HG2 H 2.556 0.00 1 5 0 1 MET HG3 H 2.556 0.00 1 6 0 1 MET CA C 56.077 0.00 1 7 0 1 MET CB C 34.349 0.00 1 8 0 1 MET CG C 31.066 0.00 1 9 1 2 GLY H H 8.109 0.00 1 10 1 2 GLY HA2 H 3.950 0.00 2 11 1 2 GLY HA3 H 4.000 0.00 2 12 1 2 GLY C C 173.563 0.00 1 13 1 2 GLY CA C 44.781 0.00 1 14 2 3 ILE H H 8.093 0.00 1 15 2 3 ILE HA H 4.060 0.00 1 16 2 3 ILE HB H 1.107 0.00 1 17 2 3 ILE HG12 H 0.378 0.00 1 18 2 3 ILE HG13 H 0.378 0.00 1 19 2 3 ILE HG2 H 0.072 0.00 1 20 2 3 ILE HD1 H 0.739 0.00 1 21 2 3 ILE C C 175.339 0.00 1 22 2 3 ILE CA C 61.511 0.00 1 23 2 3 ILE CB C 39.176 0.00 1 24 2 3 ILE CG1 C 24.358 0.00 1 25 2 3 ILE CG2 C 16.773 0.00 1 26 2 3 ILE CD1 C 13.713 0.00 1 27 2 3 ILE N N 121.376 0.00 1 28 3 4 ASP H H 8.901 0.00 1 29 3 4 ASP HA H 4.627 0.00 1 30 3 4 ASP HB2 H 3.064 0.00 2 31 3 4 ASP HB3 H 2.481 0.00 2 32 3 4 ASP C C 175.500 0.00 1 33 3 4 ASP CA C 51.630 0.00 1 34 3 4 ASP CB C 38.837 0.00 1 35 3 4 ASP N N 127.949 0.00 1 36 4 5 TYR H H 7.665 0.00 1 37 4 5 TYR HA H 3.835 0.00 1 38 4 5 TYR HB2 H 2.579 0.00 2 39 4 5 TYR HB3 H 2.820 0.00 2 40 4 5 TYR HD1 H 6.960 0.00 1 41 4 5 TYR HD2 H 6.960 0.00 1 42 4 5 TYR HE1 H 6.635 0.00 1 43 4 5 TYR HE2 H 6.635 0.00 1 44 4 5 TYR C C 177.736 0.00 1 45 4 5 TYR CA C 63.516 0.00 1 46 4 5 TYR CB C 37.862 0.00 1 47 4 5 TYR CD1 C 132.713 0.00 1 48 4 5 TYR CD2 C 132.713 0.00 1 49 4 5 TYR CE1 C 117.692 0.00 1 50 4 5 TYR CE2 C 117.692 0.00 1 51 4 5 TYR N N 123.951 0.00 1 52 5 6 SER H H 8.283 0.00 1 53 5 6 SER HA H 3.799 0.00 1 54 5 6 SER HB2 H 3.815 0.00 1 55 5 6 SER HB3 H 3.815 0.00 1 56 5 6 SER C C 177.418 0.00 1 57 5 6 SER CA C 62.227 0.00 1 58 5 6 SER CB C 51.052 0.00 1 59 5 6 SER N N 113.930 0.00 1 60 6 7 GLY H H 8.136 0.00 1 61 6 7 GLY HA2 H 3.567 0.00 2 62 6 7 GLY HA3 H 2.973 0.00 2 63 6 7 GLY C C 176.900 0.00 1 64 6 7 GLY CA C 46.592 0.00 1 65 6 7 GLY N N 111.345 0.00 1 66 7 8 LEU H H 7.511 0.00 1 67 7 8 LEU HA H 3.800 0.00 1 68 7 8 LEU HB2 H 2.249 0.00 2 69 7 8 LEU HB3 H 1.724 0.00 2 70 7 8 LEU HG H 1.569 0.00 1 71 7 8 LEU HD1 H 1.058 0.00 2 72 7 8 LEU HD2 H 1.258 0.00 2 73 7 8 LEU C C 179.033 0.00 1 74 7 8 LEU CA C 57.854 0.00 1 75 7 8 LEU CB C 44.241 0.00 1 76 7 8 LEU CG C 26.473 0.00 1 77 7 8 LEU CD1 C 26.413 0.00 2 78 7 8 LEU CD2 C 24.415 0.00 2 79 7 8 LEU N N 121.444 0.00 1 80 8 9 ARG H H 8.457 0.00 1 81 8 9 ARG HA H 4.446 0.00 1 82 8 9 ARG HB2 H 1.859 0.00 2 83 8 9 ARG HB3 H 1.696 0.00 2 84 8 9 ARG HG2 H 1.657 0.00 2 85 8 9 ARG HG3 H 1.378 0.00 2 86 8 9 ARG HD2 H 2.978 0.00 1 87 8 9 ARG HD3 H 2.978 0.00 1 88 8 9 ARG HE H 7.385 0.00 1 89 8 9 ARG C C 180.086 0.00 1 90 8 9 ARG CA C 59.161 0.00 1 91 8 9 ARG CB C 30.275 0.00 1 92 8 9 ARG CG C 27.654 0.00 1 93 8 9 ARG CD C 43.599 0.00 1 94 8 9 ARG N N 120.803 0.00 1 95 8 9 ARG NE N 119.379 0.00 1 96 9 10 THR H H 7.535 0.00 1 97 9 10 THR HA H 3.918 0.00 1 98 9 10 THR HB H 4.141 0.00 1 99 9 10 THR HG2 H 1.229 0.00 1 100 9 10 THR C C 174.629 0.00 1 101 9 10 THR CA C 65.554 0.00 1 102 9 10 THR CB C 69.069 0.00 1 103 9 10 THR CG2 C 21.571 0.00 1 104 9 10 THR N N 113.054 0.00 1 105 10 11 ILE H H 7.094 0.00 1 106 10 11 ILE HA H 3.616 0.00 1 107 10 11 ILE HB H 1.279 0.00 1 108 10 11 ILE HG12 H 0.696 0.00 2 109 10 11 ILE HG13 H 1.421 0.00 2 110 10 11 ILE HD1 H 0.570 0.00 1 111 10 11 ILE C C 177.539 0.00 1 112 10 11 ILE CA C 63.518 0.00 1 113 10 11 ILE CB C 39.420 0.00 1 114 10 11 ILE CG1 C 27.218 0.00 1 115 10 11 ILE CG2 C 15.939 0.00 1 116 10 11 ILE CD1 C 13.996 0.00 1 117 10 11 ILE N N 119.655 0.00 1 118 11 12 PHE H H 7.933 0.00 1 119 11 12 PHE HA H 4.520 0.00 1 120 11 12 PHE HB2 H 2.689 0.00 2 121 11 12 PHE HB3 H 3.372 0.00 2 122 11 12 PHE HD1 H 7.354 0.00 1 123 11 12 PHE HD2 H 7.354 0.00 1 124 11 12 PHE HE1 H 7.061 0.00 1 125 11 12 PHE HE2 H 7.061 0.00 1 126 11 12 PHE HZ H 6.760 0.00 1 127 11 12 PHE C C 175.994 0.00 1 128 11 12 PHE CA C 59.508 0.00 1 129 11 12 PHE CB C 41.008 0.00 1 130 11 12 PHE CD1 C 132.227 0.00 1 131 11 12 PHE CD2 C 132.227 0.00 1 132 11 12 PHE CE1 C 132.170 0.00 1 133 11 12 PHE CE2 C 132.170 0.00 1 134 11 12 PHE CZ C 129.337 0.00 1 135 11 12 PHE N N 114.731 0.00 1 136 12 13 GLY H H 8.504 0.00 1 137 12 13 GLY HA2 H 4.062 0.00 2 138 12 13 GLY HA3 H 3.764 0.00 2 139 12 13 GLY C C 174.629 0.00 1 140 12 13 GLY CA C 45.239 0.00 1 141 12 13 GLY N N 108.187 0.00 1 142 13 14 GLU H H 8.737 0.00 1 143 13 14 GLU HA H 3.975 0.00 1 144 13 14 GLU HB2 H 2.051 0.00 2 145 13 14 GLU HB3 H 1.896 0.00 2 146 13 14 GLU HG2 H 2.131 0.00 1 147 13 14 GLU HG3 H 2.131 0.00 1 148 13 14 GLU C C 174.966 0.00 1 149 13 14 GLU CA C 58.578 0.00 1 150 13 14 GLU CB C 29.990 0.00 1 151 13 14 GLU CG C 36.685 0.00 1 152 13 14 GLU N N 121.764 0.00 1 153 14 15 LYS H H 7.707 0.00 1 154 14 15 LYS HA H 4.534 0.00 1 155 14 15 LYS HB2 H 1.620 0.00 2 156 14 15 LYS HB3 H 1.556 0.00 2 157 14 15 LYS HG2 H 1.226 0.00 1 158 14 15 LYS HG3 H 1.226 0.00 1 159 14 15 LYS HD2 H 1.540 0.00 1 160 14 15 LYS HD3 H 1.540 0.00 1 161 14 15 LYS HE2 H 2.863 0.00 1 162 14 15 LYS HE3 H 2.863 0.00 1 163 14 15 LYS C C 174.526 0.00 1 164 14 15 LYS CA C 54.223 0.00 1 165 14 15 LYS CB C 35.021 0.00 1 166 14 15 LYS CG C 24.428 0.00 1 167 14 15 LYS CD C 29.141 0.00 1 168 14 15 LYS CE C 41.850 0.00 1 169 14 15 LYS N N 117.739 0.00 1 170 15 16 LEU H H 8.285 0.00 1 171 15 16 LEU HA H 3.840 0.00 1 172 15 16 LEU HB2 H 1.129 0.00 2 173 15 16 LEU HB3 H 0.927 0.00 2 174 15 16 LEU HG H 0.109 0.00 1 175 15 16 LEU C C 175.501 0.00 1 176 15 16 LEU CA C 52.636 0.00 1 177 15 16 LEU CB C 41.709 0.00 1 178 15 16 LEU CG C 26.587 0.00 1 179 15 16 LEU CD1 C 26.614 0.00 2 180 15 16 LEU CD2 C 23.247 0.00 2 181 15 16 LEU N N 123.675 0.00 1 182 16 17 PRO HA H 4.588 0.00 1 183 16 17 PRO HB2 H 1.771 0.00 2 184 16 17 PRO HB3 H 2.152 0.00 2 185 16 17 PRO HG2 H 1.401 0.00 2 186 16 17 PRO HG3 H 1.894 0.00 2 187 16 17 PRO HD2 H 3.326 0.00 2 188 16 17 PRO HD3 H 2.699 0.00 2 189 16 17 PRO C C 174.655 0.00 1 190 16 17 PRO CA C 61.662 0.00 1 191 16 17 PRO CB C 30.370 0.00 1 192 16 17 PRO CG C 25.797 0.00 1 193 16 17 PRO CD C 48.822 0.00 1 194 17 18 GLU H H 8.034 0.00 1 195 17 18 GLU HA H 4.010 0.00 1 196 17 18 GLU HB2 H 1.442 0.00 2 197 17 18 GLU HB3 H 2.091 0.00 2 198 17 18 GLU HG2 H 2.307 0.00 2 199 17 18 GLU HG3 H 2.369 0.00 2 200 17 18 GLU C C 178.247 0.00 1 201 17 18 GLU CA C 57.177 0.00 1 202 17 18 GLU CB C 31.192 0.00 1 203 17 18 GLU CG C 36.830 0.00 1 204 17 18 GLU N N 115.081 0.00 1 205 18 19 SER H H 8.342 0.00 1 206 18 19 SER HA H 2.745 0.00 1 207 18 19 SER HB2 H 1.756 0.00 2 208 18 19 SER HB3 H 2.194 0.00 2 209 18 19 SER C C 175.450 0.00 1 210 18 19 SER CA C 60.961 0.00 1 211 18 19 SER CB C 60.947 0.00 1 212 18 19 SER N N 118.271 0.00 1 213 19 20 HIS H H 7.761 0.00 1 214 19 20 HIS HA H 4.371 0.00 1 215 19 20 HIS HB2 H 2.925 0.00 2 216 19 20 HIS HB3 H 3.005 0.00 2 217 19 20 HIS HD2 H 6.888 0.00 1 218 19 20 HIS C C 177.984 0.00 1 219 19 20 HIS CA C 58.766 0.00 1 220 19 20 HIS CB C 29.162 0.00 1 221 19 20 HIS CD2 C 139.870 0.00 1 222 19 20 HIS N N 117.332 0.00 1 223 20 21 ILE H H 6.274 0.00 1 224 20 21 ILE HA H 3.611 0.00 1 225 20 21 ILE HB H 1.697 0.00 1 226 20 21 ILE HG12 H 0.926 0.00 2 227 20 21 ILE HG13 H 0.629 0.00 2 228 20 21 ILE HG2 H 0.737 0.00 1 229 20 21 ILE HD1 H 0.639 0.00 1 230 20 21 ILE C C 179.048 0.00 1 231 20 21 ILE CA C 62.334 0.00 1 232 20 21 ILE CB C 36.823 0.00 1 233 20 21 ILE CG1 C 27.136 0.00 1 234 20 21 ILE CG2 C 16.874 0.00 1 235 20 21 ILE CD1 C 10.894 0.00 1 236 20 21 ILE N N 122.546 0.00 1 237 21 22 PHE H H 8.037 0.00 1 238 21 22 PHE HA H 3.594 0.00 1 239 21 22 PHE HB2 H 2.859 0.00 2 240 21 22 PHE HB3 H 2.288 0.00 2 241 21 22 PHE HD1 H 5.607 0.00 1 242 21 22 PHE HD2 H 5.607 0.00 1 243 21 22 PHE HE1 H 6.666 0.00 1 244 21 22 PHE HE2 H 6.666 0.00 1 245 21 22 PHE HZ H 6.920 0.00 1 246 21 22 PHE C C 177.394 0.00 1 247 21 22 PHE CA C 62.347 0.00 1 248 21 22 PHE CB C 39.860 0.00 1 249 21 22 PHE CD1 C 132.794 0.00 1 250 21 22 PHE CD2 C 132.794 0.00 1 251 21 22 PHE CE1 C 130.993 0.00 1 252 21 22 PHE CE2 C 130.993 0.00 1 253 21 22 PHE CZ C 127.965 0.00 1 254 21 22 PHE N N 123.026 0.00 1 255 22 23 PHE H H 8.123 0.00 1 256 22 23 PHE HA H 4.274 0.00 1 257 22 23 PHE HB2 H 2.690 0.00 2 258 22 23 PHE HB3 H 3.271 0.00 2 259 22 23 PHE HD1 H 7.159 0.00 1 260 22 23 PHE HD2 H 7.159 0.00 1 261 22 23 PHE HE1 H 6.595 0.00 1 262 22 23 PHE HE2 H 6.595 0.00 1 263 22 23 PHE HZ H 6.144 0.00 1 264 22 23 PHE C C 176.085 0.00 1 265 22 23 PHE CA C 62.387 0.00 1 266 22 23 PHE CB C 38.308 0.00 1 267 22 23 PHE CD1 C 131.424 0.00 1 268 22 23 PHE CD2 C 131.424 0.00 1 269 22 23 PHE CE1 C 131.157 0.00 1 270 22 23 PHE CE2 C 131.157 0.00 1 271 22 23 PHE CZ C 127.877 0.00 1 272 22 23 PHE N N 112.812 0.00 1 273 23 24 ALA H H 7.158 0.00 1 274 23 24 ALA HA H 4.531 0.00 1 275 23 24 ALA HB H 1.447 0.00 1 276 23 24 ALA C C 177.084 0.00 1 277 23 24 ALA CA C 52.052 0.00 1 278 23 24 ALA CB C 19.310 0.00 1 279 23 24 ALA N N 121.456 0.00 1 280 24 25 THR H H 7.376 0.00 1 281 24 25 THR HA H 4.063 0.00 1 282 24 25 THR HB H 4.445 0.00 1 283 24 25 THR HG2 H 0.971 0.00 1 284 24 25 THR C C 174.466 0.00 1 285 24 25 THR CA C 62.392 0.00 1 286 24 25 THR CB C 68.367 0.00 1 287 24 25 THR CG2 C 20.387 0.00 1 288 24 25 THR N N 117.721 0.00 1 289 25 26 VAL H H 8.314 0.00 1 290 25 26 VAL HA H 2.824 0.00 1 291 25 26 VAL HB H 1.782 0.00 1 292 25 26 VAL HG1 H 0.755 0.00 2 293 25 26 VAL HG2 H 0.859 0.00 2 294 25 26 VAL C C 178.598 0.00 1 295 25 26 VAL CA C 65.843 0.00 1 296 25 26 VAL CB C 30.831 0.00 1 297 25 26 VAL CG1 C 20.770 0.00 2 298 25 26 VAL CG2 C 21.070 0.00 2 299 25 26 VAL N N 129.638 0.00 1 300 26 27 ALA H H 8.599 0.00 1 301 26 27 ALA HA H 3.872 0.00 1 302 26 27 ALA HB H 1.132 0.00 1 303 26 27 ALA C C 178.131 0.00 1 304 26 27 ALA CA C 54.494 0.00 1 305 26 27 ALA CB C 18.815 0.00 1 306 26 27 ALA N N 120.880 0.00 1 307 27 28 ALA H H 7.390 0.00 1 308 27 28 ALA HA H 3.959 0.00 1 309 27 28 ALA HB H 0.982 0.00 1 310 27 28 ALA C C 178.584 0.00 1 311 27 28 ALA CA C 53.212 0.00 1 312 27 28 ALA CB C 18.331 0.00 1 313 27 28 ALA N N 114.352 0.00 1 314 28 29 HIS H H 7.496 0.00 1 315 28 29 HIS HA H 3.989 0.00 1 316 28 29 HIS HB2 H 2.972 0.00 2 317 28 29 HIS HB3 H 3.089 0.00 2 318 28 29 HIS HD2 H 7.177 0.00 1 319 28 29 HIS C C 176.137 0.00 1 320 28 29 HIS CA C 58.358 0.00 1 321 28 29 HIS CB C 30.369 0.00 1 322 28 29 HIS N N 119.170 0.00 1 323 29 30 LYS H H 7.160 0.00 1 324 29 30 LYS HA H 3.683 0.00 1 325 29 30 LYS HB2 H 1.363 0.00 2 326 29 30 LYS HB3 H 1.115 0.00 2 327 29 30 LYS HG2 H 0.701 0.00 2 328 29 30 LYS HG3 H 0.292 0.00 2 329 29 30 LYS HD2 H 1.240 0.00 2 330 29 30 LYS HD3 H 1.179 0.00 2 331 29 30 LYS HE2 H 2.634 0.00 2 332 29 30 LYS HE3 H 2.589 0.00 2 333 29 30 LYS C C 176.083 0.00 1 334 29 30 LYS CA C 57.719 0.00 1 335 29 30 LYS CB C 31.150 0.00 1 336 29 30 LYS CG C 22.610 0.00 1 337 29 30 LYS CD C 29.546 0.00 1 338 29 30 LYS CE C 41.410 0.00 1 339 29 30 LYS N N 113.390 0.00 1 340 30 31 TYR H H 7.089 0.00 1 341 30 31 TYR HA H 4.518 0.00 1 342 30 31 TYR HB2 H 3.058 0.00 2 343 30 31 TYR HB3 H 2.754 0.00 2 344 30 31 TYR HD1 H 7.054 0.00 1 345 30 31 TYR HD2 H 7.054 0.00 1 346 30 31 TYR HE1 H 6.677 0.00 1 347 30 31 TYR HE2 H 6.677 0.00 1 348 30 31 TYR C C 176.576 0.00 1 349 30 31 TYR CA C 58.401 0.00 1 350 30 31 TYR CB C 40.332 0.00 1 351 30 31 TYR CD1 C 132.810 0.00 1 352 30 31 TYR CD2 C 132.810 0.00 1 353 30 31 TYR CE1 C 118.393 0.00 1 354 30 31 TYR CE2 C 118.393 0.00 1 355 30 31 TYR N N 116.357 0.00 1 356 31 32 VAL H H 7.751 0.00 1 357 31 32 VAL HA H 3.987 0.00 1 358 31 32 VAL HB H 2.188 0.00 1 359 31 32 VAL HG1 H 0.767 0.00 2 360 31 32 VAL HG2 H 0.912 0.00 2 361 31 32 VAL C C 172.594 0.00 1 362 31 32 VAL CA C 58.990 0.00 1 363 31 32 VAL CB C 34.314 0.00 1 364 31 32 VAL CG1 C 22.860 0.00 2 365 31 32 VAL CG2 C 22.189 0.00 2 366 31 32 VAL N N 115.275 0.00 1 367 32 33 PRO HA H 4.181 0.00 1 368 32 33 PRO HB2 H 1.660 0.00 2 369 32 33 PRO HB3 H 1.925 0.00 2 370 32 33 PRO HG2 H 1.558 0.00 2 371 32 33 PRO HG3 H 1.641 0.00 2 372 32 33 PRO HD2 H 2.230 0.00 2 373 32 33 PRO HD3 H 2.514 0.00 2 374 32 33 PRO C C 176.969 0.00 1 375 32 33 PRO CA C 63.829 0.00 1 376 32 33 PRO CB C 32.556 0.00 1 377 32 33 PRO CG C 26.483 0.00 1 378 32 33 PRO CD C 49.630 0.00 1 379 33 34 SER H H 6.872 0.00 1 380 33 34 SER HA H 4.410 0.00 1 381 33 34 SER HB2 H 3.910 0.00 2 382 33 34 SER HB3 H 4.109 0.00 2 383 33 34 SER C C 174.595 0.00 1 384 33 34 SER CA C 57.070 0.00 1 385 33 34 SER CB C 65.745 0.00 1 386 33 34 SER N N 106.323 0.00 1 387 34 35 TYR H H 8.530 0.00 1 388 34 35 TYR HA H 4.064 0.00 1 389 34 35 TYR HB2 H 2.796 0.00 2 390 34 35 TYR HB3 H 2.668 0.00 2 391 34 35 TYR HD1 H 6.835 0.00 1 392 34 35 TYR HD2 H 6.835 0.00 1 393 34 35 TYR HE1 H 6.662 0.00 1 394 34 35 TYR HE2 H 6.662 0.00 1 395 34 35 TYR CA C 63.471 0.00 1 396 34 35 TYR CB C 38.686 0.00 1 397 34 35 TYR CD1 C 132.214 0.00 1 398 34 35 TYR CD2 C 132.214 0.00 1 399 34 35 TYR CE1 C 118.795 0.00 1 400 34 35 TYR CE2 C 118.795 0.00 1 401 34 35 TYR N N 118.796 0.00 1 402 35 36 ALA HA H 3.959 0.00 1 403 35 36 ALA HB H 1.370 0.00 1 404 35 36 ALA C C 180.354 0.00 1 405 35 36 ALA CA C 55.711 0.00 1 406 35 36 ALA CB C 17.948 0.00 1 407 36 37 PHE H H 8.071 0.00 1 408 36 37 PHE HA H 4.049 0.00 1 409 36 37 PHE HB2 H 3.129 0.00 1 410 36 37 PHE HB3 H 3.129 0.00 1 411 36 37 PHE HD1 H 7.086 0.00 1 412 36 37 PHE HD2 H 7.086 0.00 1 413 36 37 PHE HE1 H 7.265 0.00 1 414 36 37 PHE HE2 H 7.265 0.00 1 415 36 37 PHE HZ H 7.318 0.00 1 416 36 37 PHE C C 176.365 0.00 1 417 36 37 PHE CA C 61.147 0.00 1 418 36 37 PHE CB C 39.297 0.00 1 419 36 37 PHE CD1 C 131.120 0.00 1 420 36 37 PHE CD2 C 131.120 0.00 1 421 36 37 PHE CE1 C 132.340 0.00 1 422 36 37 PHE CE2 C 132.340 0.00 1 423 36 37 PHE N N 120.176 0.00 1 424 37 38 LEU H H 7.230 0.00 1 425 37 38 LEU HA H 3.573 0.00 1 426 37 38 LEU HB2 H 1.987 0.00 2 427 37 38 LEU HB3 H 1.067 0.00 2 428 37 38 LEU HG H 1.552 0.00 1 429 37 38 LEU HD1 H 0.078 0.00 2 430 37 38 LEU HD2 H 0.379 0.00 2 431 37 38 LEU C C 177.997 0.00 1 432 37 38 LEU CA C 57.639 0.00 1 433 37 38 LEU CB C 43.150 0.00 1 434 37 38 LEU CG C 25.327 0.00 1 435 37 38 LEU CD1 C 24.724 0.00 2 436 37 38 LEU CD2 C 22.925 0.00 2 437 37 38 LEU N N 118.213 0.00 1 438 38 39 ARG H H 8.617 0.00 1 439 38 39 ARG HA H 3.511 0.00 1 440 38 39 ARG HB2 H 1.766 0.00 2 441 38 39 ARG HB3 H 1.265 0.00 2 442 38 39 ARG HG2 H 1.633 0.00 1 443 38 39 ARG HG3 H 1.633 0.00 1 444 38 39 ARG HD2 H 3.028 0.00 1 445 38 39 ARG HD3 H 3.028 0.00 1 446 38 39 ARG C C 177.643 0.00 1 447 38 39 ARG CA C 60.945 0.00 1 448 38 39 ARG CB C 30.215 0.00 1 449 38 39 ARG N N 117.203 0.00 1 450 39 40 ARG H H 7.367 0.00 1 451 39 40 ARG HA H 3.962 0.00 1 452 39 40 ARG HB2 H 1.730 0.00 1 453 39 40 ARG HB3 H 1.730 0.00 1 454 39 40 ARG HG2 H 1.575 0.00 2 455 39 40 ARG HG3 H 1.317 0.00 2 456 39 40 ARG HD2 H 3.085 0.00 1 457 39 40 ARG HD3 H 3.085 0.00 1 458 39 40 ARG C C 180.138 0.00 1 459 39 40 ARG CA C 59.101 0.00 1 460 39 40 ARG CB C 30.200 0.00 1 461 39 40 ARG CG C 26.584 0.00 1 462 39 40 ARG CD C 43.143 0.00 1 463 39 40 ARG N N 116.574 0.00 1 464 40 41 GLU H H 8.141 0.00 1 465 40 41 GLU HA H 3.707 0.00 1 466 40 41 GLU HB2 H 1.251 0.00 2 467 40 41 GLU HB3 H 1.794 0.00 2 468 40 41 GLU C C 178.722 0.00 1 469 40 41 GLU CA C 58.518 0.00 1 470 40 41 GLU CB C 29.427 0.00 1 471 40 41 GLU N N 118.018 0.00 1 472 41 42 LEU H H 8.073 0.00 1 473 41 42 LEU HA H 4.294 0.00 1 474 41 42 LEU HB2 H 1.379 0.00 2 475 41 42 LEU HB3 H 1.603 0.00 2 476 41 42 LEU HD1 H 0.689 0.00 2 477 41 42 LEU HD2 H 0.759 0.00 2 478 41 42 LEU C C 176.960 0.00 1 479 41 42 LEU CA C 54.461 0.00 1 480 41 42 LEU CB C 41.613 0.00 1 481 41 42 LEU CD1 C 26.796 0.00 2 482 41 42 LEU CD2 C 22.230 0.00 2 483 41 42 LEU N N 115.796 0.00 1 484 42 43 GLY H H 7.426 0.00 1 485 42 43 GLY HA2 H 3.760 0.00 1 486 42 43 GLY HA3 H 3.760 0.00 1 487 42 43 GLY C C 174.759 0.00 1 488 42 43 GLY CA C 46.737 0.00 1 489 42 43 GLY N N 109.061 0.00 1 490 43 44 LEU H H 8.065 0.00 1 491 43 44 LEU HA H 4.394 0.00 1 492 43 44 LEU HB2 H 1.090 0.00 2 493 43 44 LEU HB3 H 1.401 0.00 2 494 43 44 LEU HG H 1.257 0.00 1 495 43 44 LEU HD1 H 0.634 0.00 2 496 43 44 LEU HD2 H 0.238 0.00 2 497 43 44 LEU C C 175.639 0.00 1 498 43 44 LEU CA C 52.960 0.00 1 499 43 44 LEU CB C 42.849 0.00 1 500 43 44 LEU CG C 26.567 0.00 1 501 43 44 LEU CD1 C 21.101 0.00 2 502 43 44 LEU CD2 C 27.892 0.00 2 503 43 44 LEU N N 119.084 0.00 1 504 44 45 SER H H 8.808 0.00 1 505 44 45 SER HA H 4.617 0.00 1 506 44 45 SER HB2 H 3.844 0.00 2 507 44 45 SER HB3 H 4.186 0.00 2 508 44 45 SER CA C 57.492 0.00 1 509 44 45 SER CB C 65.594 0.00 1 510 45 46 SER HA H 3.965 0.00 1 511 45 46 SER HB2 H 3.822 0.00 2 512 45 46 SER HB3 H 3.850 0.00 2 513 45 46 SER CA C 60.690 0.00 1 514 45 46 SER CB C 62.700 0.00 1 515 45 46 SER N N 118.288 0.00 1 516 46 47 ALA H H 7.778 0.00 1 517 46 47 ALA HA H 4.032 0.00 1 518 46 47 ALA HB H 1.079 0.00 1 519 46 47 ALA C C 178.431 0.00 1 520 46 47 ALA CA C 52.765 0.00 1 521 46 47 ALA CB C 18.561 0.00 1 522 46 47 ALA N N 122.132 0.00 1 523 47 48 HIS H H 7.514 0.00 1 524 47 48 HIS HA H 4.376 0.00 1 525 47 48 HIS HB2 H 2.846 0.00 2 526 47 48 HIS HB3 H 3.060 0.00 2 527 47 48 HIS C C 175.617 0.00 1 528 47 48 HIS CA C 57.409 0.00 1 529 47 48 HIS CB C 31.003 0.00 1 530 47 48 HIS N N 118.365 0.00 1 531 48 49 THR H H 7.962 0.00 1 532 48 49 THR HA H 4.105 0.00 1 533 48 49 THR HB H 4.569 0.00 1 534 48 49 THR HG2 H 1.286 0.00 1 535 48 49 THR CA C 60.757 0.00 1 536 48 49 THR CB C 70.478 0.00 1 537 48 49 THR CG2 C 21.810 0.00 1 538 48 49 THR N N 116.030 0.00 1 539 49 50 ASN HB2 H 2.582 0.00 2 540 49 50 ASN HB3 H 2.738 0.00 2 541 49 50 ASN HD21 H 6.967 0.00 1 542 49 50 ASN HD22 H 6.496 0.00 1 543 49 50 ASN ND2 N 110.070 0.00 1 544 50 51 ARG HA H 4.227 0.00 1 545 50 51 ARG HB2 H 1.762 0.00 1 546 50 51 ARG HB3 H 1.762 0.00 1 547 50 51 ARG HG2 H 1.627 0.00 1 548 50 51 ARG HG3 H 1.627 0.00 1 549 50 51 ARG HD2 H 3.176 0.00 2 550 50 51 ARG HD3 H 3.102 0.00 2 551 50 51 ARG C C 178.903 0.00 1 552 50 51 ARG CA C 59.238 0.00 1 553 50 51 ARG CB C 29.849 0.00 1 554 50 51 ARG CG C 26.940 0.00 1 555 50 51 ARG CD C 42.820 0.00 1 556 51 52 LYS H H 7.479 0.00 1 557 51 52 LYS HA H 4.032 0.00 1 558 51 52 LYS HB2 H 1.965 0.00 2 559 51 52 LYS HB3 H 1.681 0.00 2 560 51 52 LYS HG2 H 1.458 0.00 1 561 51 52 LYS HG3 H 1.458 0.00 1 562 51 52 LYS HD2 H 1.623 0.00 1 563 51 52 LYS HD3 H 1.623 0.00 1 564 51 52 LYS HE2 H 2.856 0.00 1 565 51 52 LYS HE3 H 2.856 0.00 1 566 51 52 LYS C C 179.205 0.00 1 567 51 52 LYS CA C 59.219 0.00 1 568 51 52 LYS CB C 32.322 0.00 1 569 51 52 LYS CG C 25.502 0.00 1 570 51 52 LYS CD C 29.305 0.00 1 571 51 52 LYS CE C 41.782 0.00 1 572 51 52 LYS N N 120.949 0.00 1 573 52 53 VAL H H 8.455 0.00 1 574 52 53 VAL HA H 3.316 0.00 1 575 52 53 VAL HB H 2.474 0.00 1 576 52 53 VAL HG1 H 0.929 0.00 2 577 52 53 VAL HG2 H 0.956 0.00 2 578 52 53 VAL C C 177.306 0.00 1 579 52 53 VAL CA C 66.473 0.00 1 580 52 53 VAL CB C 31.471 0.00 1 581 52 53 VAL CG1 C 23.386 0.00 2 582 52 53 VAL CG2 C 23.281 0.00 2 583 52 53 VAL N N 120.807 0.00 1 584 53 54 TRP H H 8.903 0.00 1 585 53 54 TRP HA H 4.289 0.00 1 586 53 54 TRP HB2 H 3.435 0.00 2 587 53 54 TRP HB3 H 3.755 0.00 2 588 53 54 TRP HD1 H 7.085 0.00 1 589 53 54 TRP HE1 H 9.998 0.00 1 590 53 54 TRP HE3 H 7.145 0.00 1 591 53 54 TRP HZ2 H 7.213 0.00 1 592 53 54 TRP HZ3 H 5.752 0.00 1 593 53 54 TRP HH2 H 5.562 0.00 1 594 53 54 TRP C C 176.891 0.00 1 595 53 54 TRP CA C 60.497 0.00 1 596 53 54 TRP CB C 29.620 0.00 1 597 53 54 TRP CD1 C 126.147 0.00 1 598 53 54 TRP CE3 C 119.198 0.00 1 599 53 54 TRP CZ2 C 114.726 0.00 1 600 53 54 TRP CZ3 C 121.803 0.00 1 601 53 54 TRP CH2 C 123.454 0.00 1 602 53 54 TRP N N 119.118 0.00 1 603 53 54 TRP NE1 N 129.383 0.00 1 604 54 55 LYS H H 7.875 0.00 1 605 54 55 LYS HA H 3.710 0.00 1 606 54 55 LYS HB2 H 1.902 0.00 2 607 54 55 LYS HB3 H 1.866 0.00 2 608 54 55 LYS HG2 H 1.615 0.00 2 609 54 55 LYS HG3 H 1.397 0.00 2 610 54 55 LYS HD2 H 1.618 0.00 1 611 54 55 LYS HD3 H 1.618 0.00 1 612 54 55 LYS HE2 H 2.898 0.00 1 613 54 55 LYS HE3 H 2.898 0.00 1 614 54 55 LYS C C 179.749 0.00 1 615 54 55 LYS CA C 60.330 0.00 1 616 54 55 LYS CB C 32.489 0.00 1 617 54 55 LYS CG C 25.543 0.00 1 618 54 55 LYS CD C 29.559 0.00 1 619 54 55 LYS CE C 41.963 0.00 1 620 54 55 LYS N N 116.097 0.00 1 621 55 56 LYS H H 7.771 0.00 1 622 55 56 LYS HA H 4.016 0.00 1 623 55 56 LYS HB2 H 1.789 0.00 2 624 55 56 LYS HB3 H 1.929 0.00 2 625 55 56 LYS HG2 H 1.393 0.00 1 626 55 56 LYS HG3 H 1.393 0.00 1 627 55 56 LYS HD2 H 1.619 0.00 1 628 55 56 LYS HD3 H 1.619 0.00 1 629 55 56 LYS HE2 H 2.835 0.00 1 630 55 56 LYS HE3 H 2.835 0.00 1 631 55 56 LYS C C 178.921 0.00 1 632 55 56 LYS CA C 57.843 0.00 1 633 55 56 LYS CB C 31.331 0.00 1 634 55 56 LYS CG C 24.900 0.00 1 635 55 56 LYS CD C 27.753 0.00 1 636 55 56 LYS CE C 41.858 0.00 1 637 55 56 LYS N N 118.655 0.00 1 638 56 57 PHE H H 8.303 0.00 1 639 56 57 PHE HA H 4.296 0.00 1 640 56 57 PHE HB2 H 2.725 0.00 1 641 56 57 PHE HB3 H 2.725 0.00 1 642 56 57 PHE HD1 H 6.235 0.00 1 643 56 57 PHE HD2 H 6.235 0.00 1 644 56 57 PHE HE1 H 6.401 0.00 1 645 56 57 PHE HE2 H 6.401 0.00 1 646 56 57 PHE HZ H 6.737 0.00 1 647 56 57 PHE C C 175.605 0.00 1 648 56 57 PHE CA C 59.081 0.00 1 649 56 57 PHE CB C 38.628 0.00 1 650 56 57 PHE CD1 C 131.829 0.00 1 651 56 57 PHE CD2 C 131.829 0.00 1 652 56 57 PHE CE1 C 130.178 0.00 1 653 56 57 PHE CE2 C 130.178 0.00 1 654 56 57 PHE CZ C 127.936 0.00 1 655 56 57 PHE N N 123.526 0.00 1 656 57 58 VAL H H 8.256 0.00 1 657 57 58 VAL HA H 2.627 0.00 1 658 57 58 VAL HB H 1.682 0.00 1 659 57 58 VAL HG1 H 0.607 0.00 2 660 57 58 VAL HG2 H 0.133 0.00 2 661 57 58 VAL C C 179.594 0.00 1 662 57 58 VAL CA C 66.323 0.00 1 663 57 58 VAL CB C 31.477 0.00 1 664 57 58 VAL CG1 C 22.278 0.00 2 665 57 58 VAL CG2 C 21.092 0.00 2 666 57 58 VAL N N 120.167 0.00 1 667 58 59 GLU H H 7.486 0.00 1 668 58 59 GLU HA H 3.806 0.00 1 669 58 59 GLU HB2 H 1.963 0.00 1 670 58 59 GLU HB3 H 1.963 0.00 1 671 58 59 GLU HG2 H 1.969 0.00 2 672 58 59 GLU HG3 H 2.247 0.00 2 673 58 59 GLU C C 178.826 0.00 1 674 58 59 GLU CA C 58.902 0.00 1 675 58 59 GLU CB C 29.724 0.00 1 676 58 59 GLU CG C 36.329 0.00 1 677 58 59 GLU N N 119.595 0.00 1 678 59 60 ALA H H 7.956 0.00 1 679 59 60 ALA HA H 3.728 0.00 1 680 59 60 ALA HB H 1.449 0.00 1 681 59 60 ALA C C 179.991 0.00 1 682 59 60 ALA CA C 55.440 0.00 1 683 59 60 ALA CB C 18.098 0.00 1 684 59 60 ALA N N 124.028 0.00 1 685 60 61 TYR H H 8.907 0.00 1 686 60 61 TYR HA H 3.409 0.00 1 687 60 61 TYR HB2 H 2.574 0.00 2 688 60 61 TYR HB3 H 2.069 0.00 2 689 60 61 TYR HD1 H 6.663 0.00 1 690 60 61 TYR HD2 H 6.663 0.00 1 691 60 61 TYR HE1 H 6.555 0.00 1 692 60 61 TYR HE2 H 6.555 0.00 1 693 60 61 TYR C C 178.515 0.00 1 694 60 61 TYR CA C 61.107 0.00 1 695 60 61 TYR CB C 38.761 0.00 1 696 60 61 TYR CD1 C 133.499 0.00 1 697 60 61 TYR CD2 C 133.499 0.00 1 698 60 61 TYR CE1 C 117.658 0.00 1 699 60 61 TYR CE2 C 117.658 0.00 1 700 60 61 TYR N N 120.712 0.00 1 701 61 62 GLY H H 7.592 0.00 1 702 61 62 GLY HA2 H 3.795 0.00 2 703 61 62 GLY HA3 H 3.714 0.00 2 704 61 62 GLY C C 175.968 0.00 1 705 61 62 GLY CA C 46.501 0.00 1 706 61 62 GLY N N 103.763 0.00 1 707 62 63 LYS H H 7.224 0.00 1 708 62 63 LYS HA H 3.970 0.00 1 709 62 63 LYS HB2 H 1.678 0.00 2 710 62 63 LYS HB3 H 1.538 0.00 2 711 62 63 LYS HG2 H 1.375 0.00 2 712 62 63 LYS HG3 H 1.273 0.00 2 713 62 63 LYS HD2 H 1.477 0.00 1 714 62 63 LYS HD3 H 1.477 0.00 1 715 62 63 LYS HE2 H 2.774 0.00 1 716 62 63 LYS HE3 H 2.774 0.00 1 717 62 63 LYS C C 176.710 0.00 1 718 62 63 LYS CA C 57.450 0.00 1 719 62 63 LYS CB C 32.630 0.00 1 720 62 63 LYS CG C 25.372 0.00 1 721 62 63 LYS CD C 28.562 0.00 1 722 62 63 LYS CE C 41.181 0.00 1 723 62 63 LYS N N 119.386 0.00 1 724 63 64 ALA H H 6.938 0.00 1 725 63 64 ALA HA H 3.839 0.00 1 726 63 64 ALA HB H 0.574 0.00 1 727 63 64 ALA C C 176.986 0.00 1 728 63 64 ALA CA C 52.290 0.00 1 729 63 64 ALA CB C 18.146 0.00 1 730 63 64 ALA N N 121.001 0.00 1 731 64 65 ILE H H 7.026 0.00 1 732 64 65 ILE HA H 3.839 0.00 1 733 64 65 ILE HB H 1.608 0.00 1 734 64 65 ILE HG12 H 1.413 0.00 2 735 64 65 ILE HG13 H 0.693 0.00 2 736 64 65 ILE HG2 H 0.692 0.00 1 737 64 65 ILE HD1 H 0.679 0.00 1 738 64 65 ILE C C 173.705 0.00 1 739 64 65 ILE CA C 59.110 0.00 1 740 64 65 ILE CB C 38.038 0.00 1 741 64 65 ILE CG1 C 26.882 0.00 1 742 64 65 ILE CG2 C 16.562 0.00 1 743 64 65 ILE CD1 C 13.058 0.00 1 744 64 65 ILE N N 120.117 0.00 1 745 66 67 PRO HD2 H 3.385 0.00 1 746 66 67 PRO HD3 H 3.385 0.00 1 747 72 73 PRO HA H 4.259 0.00 1 748 72 73 PRO HB2 H 1.763 0.00 2 749 72 73 PRO HB3 H 2.147 0.00 2 750 72 73 PRO HG2 H 1.888 0.00 1 751 72 73 PRO HG3 H 1.888 0.00 1 752 72 73 PRO HD2 H 3.488 0.00 2 753 72 73 PRO HD3 H 3.673 0.00 2 754 72 73 PRO C C 176.848 0.00 1 755 72 73 PRO CA C 62.777 0.00 1 756 72 73 PRO CB C 32.080 0.00 1 757 72 73 PRO CG C 27.691 0.00 1 758 72 73 PRO CD C 50.172 0.00 1 759 73 74 LEU H H 8.245 0.00 1 760 73 74 LEU HA H 4.235 0.00 1 761 73 74 LEU HB2 H 1.497 0.00 1 762 73 74 LEU HB3 H 1.497 0.00 1 763 73 74 LEU HG H 1.449 0.00 1 764 73 74 LEU HD1 H 0.757 0.00 2 765 73 74 LEU HD2 H 0.781 0.00 2 766 73 74 LEU C C 177.539 0.00 1 767 73 74 LEU CA C 55.604 0.00 1 768 73 74 LEU CB C 42.409 0.00 1 769 73 74 LEU CG C 27.321 0.00 1 770 73 74 LEU CD1 C 23.320 0.00 2 771 73 74 LEU CD2 C 24.223 0.00 2 772 73 74 LEU N N 122.231 0.00 1 773 74 75 THR H H 8.005 0.00 1 774 74 75 THR HA H 4.187 0.00 1 775 74 75 THR HB H 4.037 0.00 1 776 74 75 THR HG2 H 1.062 0.00 1 777 74 75 THR C C 174.215 0.00 1 778 74 75 THR CA C 61.708 0.00 1 779 74 75 THR CB C 69.771 0.00 1 780 74 75 THR CG2 C 21.752 0.00 1 781 74 75 THR N N 115.516 0.00 1 782 75 76 LEU H H 8.162 0.00 1 783 75 76 LEU HA H 4.264 0.00 1 784 75 76 LEU HB2 H 1.514 0.00 2 785 75 76 LEU HB3 H 1.483 0.00 2 786 75 76 LEU HD1 H 0.764 0.00 2 787 75 76 LEU HD2 H 0.763 0.00 2 788 75 76 LEU C C 177.254 0.00 1 789 75 76 LEU CA C 55.017 0.00 1 790 75 76 LEU CB C 42.312 0.00 1 791 75 76 LEU CD1 C 23.320 0.00 2 792 75 76 LEU CD2 C 24.223 0.00 2 793 75 76 LEU N N 124.851 0.00 1 794 76 77 SER H H 8.189 0.00 1 795 76 77 SER HA H 4.260 0.00 1 796 76 77 SER HB2 H 3.709 0.00 1 797 76 77 SER HB3 H 3.709 0.00 1 798 76 77 SER C C 174.422 0.00 1 799 76 77 SER CA C 58.389 0.00 1 800 76 77 SER CB C 63.731 0.00 1 801 76 77 SER N N 116.873 0.00 1 802 77 78 LYS H H 8.213 0.00 1 803 77 78 LYS HA H 4.178 0.00 1 804 77 78 LYS HB2 H 1.592 0.00 2 805 77 78 LYS HB3 H 1.693 0.00 2 806 77 78 LYS HG2 H 1.462 0.00 1 807 77 78 LYS HG3 H 1.462 0.00 1 808 77 78 LYS HE2 H 2.831 0.00 1 809 77 78 LYS HE3 H 2.831 0.00 1 810 77 78 LYS CA C 56.151 0.00 1 811 77 78 LYS CB C 32.799 0.00 1 812 77 78 LYS CG C 25.300 0.00 1 813 77 78 LYS N N 123.343 0.00 1 814 78 79 LEU H H 8.082 0.00 1 815 78 79 LEU HA H 4.150 0.00 1 816 78 79 LEU HB2 H 1.388 0.00 1 817 78 79 LEU HB3 H 1.388 0.00 1 818 78 79 LEU HD1 H 0.743 0.00 1 819 78 79 LEU HD2 H 0.743 0.00 1 820 78 79 LEU C C 177.183 0.00 1 821 78 79 LEU CA C 55.015 0.00 1 822 78 79 LEU CB C 42.020 0.00 1 823 78 79 LEU N N 122.891 0.00 1 824 79 80 GLU H H 8.216 0.00 1 825 79 80 GLU HA H 4.081 0.00 1 826 79 80 GLU HB2 H 1.763 0.00 2 827 79 80 GLU HB3 H 1.694 0.00 2 828 79 80 GLU HG2 H 2.055 0.00 2 829 79 80 GLU HG3 H 1.980 0.00 2 830 79 80 GLU C C 175.988 0.00 1 831 79 80 GLU CA C 56.529 0.00 1 832 79 80 GLU CB C 30.331 0.00 1 833 79 80 GLU CG C 36.230 0.00 1 834 79 80 GLU N N 121.341 0.00 1 835 80 81 HIS H H 8.102 0.00 1 836 80 81 HIS HA H 3.931 0.00 1 837 80 81 HIS HB2 H 2.565 0.00 1 838 80 81 HIS HB3 H 2.565 0.00 1 839 80 81 HIS CA C 56.081 0.00 1 840 80 81 HIS CB C 30.811 0.00 1 841 80 81 HIS N N 120.044 0.00 1 stop_ save_