data_7099 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of VP9 from White Spot Syndrome Virus ; _BMRB_accession_number 7099 _BMRB_flat_file_name bmr7099.str _Entry_type original _Submission_date 2006-05-05 _Accession_date 2006-05-09 _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 Liu Y. . . 2 Song J. X. . 3 Hew C. L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 409 "13C chemical shifts" 240 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-09-22 original author 'original release' 2008-07-16 update BMRB 'update entry citation' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Identification of a Novel Nonstructural Protein VP9 from White Spot Syndrome Virus: Its Structure Reveals a Ferredoxin Fold with Specific Metal Binding Sites. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16956937 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Y. . . 2 Wu J. L. . 3 Song J. X. . 4 Sivaraman J. . . 5 Hew C. L. . stop_ _Journal_abbreviation 'J. Virol.' _Journal_volume 80 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10419 _Page_last 10427 _Year 2006 _Details . loop_ _Keyword 'Ferredoxin fold' 'Metal binding' WSSV stop_ save_ ################################## # Molecular system description # ################################## save_system_wsv230 _Saveframe_category molecular_system _Mol_system_name wsv230 _Abbreviation_common wsv230 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label wsv230 $wsv230 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_wsv230 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common wsv230 _Abbreviation_common wsv230 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; GSHMATFQTDADFLLVGDDT SRYEEVMKTFDTVEAVRKSD LDDRVYMVCLKQGSTFVLNG GIEELRLLTGDSTLEIQPMI VPTTE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 ALA 6 3 THR 7 4 PHE 8 5 GLN 9 6 THR 10 7 ASP 11 8 ALA 12 9 ASP 13 10 PHE 14 11 LEU 15 12 LEU 16 13 VAL 17 14 GLY 18 15 ASP 19 16 ASP 20 17 THR 21 18 SER 22 19 ARG 23 20 TYR 24 21 GLU 25 22 GLU 26 23 VAL 27 24 MET 28 25 LYS 29 26 THR 30 27 PHE 31 28 ASP 32 29 THR 33 30 VAL 34 31 GLU 35 32 ALA 36 33 VAL 37 34 ARG 38 35 LYS 39 36 SER 40 37 ASP 41 38 LEU 42 39 ASP 43 40 ASP 44 41 ARG 45 42 VAL 46 43 TYR 47 44 MET 48 45 VAL 49 46 CYS 50 47 LEU 51 48 LYS 52 49 GLN 53 50 GLY 54 51 SER 55 52 THR 56 53 PHE 57 54 VAL 58 55 LEU 59 56 ASN 60 57 GLY 61 58 GLY 62 59 ILE 63 60 GLU 64 61 GLU 65 62 LEU 66 63 ARG 67 64 LEU 68 65 LEU 69 66 THR 70 67 GLY 71 68 ASP 72 69 SER 73 70 THR 74 71 LEU 75 72 GLU 76 73 ILE 77 74 GLN 78 75 PRO 79 76 MET 80 77 ILE 81 78 VAL 82 79 PRO 83 80 THR 84 81 THR 85 82 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 PDB 2GJ2 "Crystal Structure Of Vp9 From White Spot Syndrome Virus" 100.00 85 100.00 100.00 1.33e-53 PDB 2GJI "Nmr Solution Structure Of Vp9 From White Spot Syndrome Virus" 100.00 85 100.00 100.00 1.33e-53 GB AAK77784 "ORF115 [shrimp white spot syndrome virus]" 96.47 82 100.00 100.00 1.00e-50 GB AAL33234 "wsv230 [Shrimp white spot syndrome virus]" 96.47 82 100.00 100.00 1.00e-50 GB AAL89153 "WSSV285 [shrimp white spot syndrome virus]" 96.47 82 100.00 100.00 1.00e-50 GB ADR71658 "ICP11 [White spot syndrome virus]" 72.94 62 98.39 98.39 6.98e-35 GB AFX59607 "wsv230 [White spot syndrome virus]" 96.47 82 100.00 100.00 1.00e-50 REF NP_477752 "wsv230 [Shrimp white spot syndrome virus]" 96.47 82 100.00 100.00 1.00e-50 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $wsv230 'SHRIMP WHITE SPOT SYNDROME VIRUS' 342409 Viruses . Whispovirus 'White spot syndrome virus 1' 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 $wsv230 'recombinant technology' 'E. coli' Escherichia coli . . 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 $wsv230 3 mM . 'phosphate buffer' 20 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2004 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Task refinement 'structure solution' stop_ _Details 'Guntert, P.' save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Task 'data analysis' stop_ _Details 'Johnson, B.A.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.72 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 external indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name wsv230 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 4 MET HA H 4.640 0.000 . 2 . 4 MET CA C 55.245 0.000 . 3 . 4 MET CB C 32.578 0.000 . 4 . 4 MET N N 121.406 0.000 . 5 . 5 ALA H H 8.222 0.000 . 6 . 5 ALA HA H 4.321 0.000 . 7 . 5 ALA HB H 1.418 0.000 . 8 . 5 ALA CA C 52.378 0.000 . 9 . 5 ALA CB C 19.453 0.000 . 10 . 5 ALA N N 124.964 0.000 . 11 . 6 THR H H 7.763 0.000 . 12 . 6 THR HA H 4.184 0.000 . 13 . 6 THR HB H 3.897 0.000 . 14 . 6 THR HG2 H 1.335 0.000 . 15 . 6 THR CA C 62.464 0.000 . 16 . 6 THR CB C 70.474 0.000 . 17 . 6 THR CG2 C 22.313 0.000 . 18 . 6 THR N N 112.565 0.000 . 19 . 7 PHE H H 7.995 0.000 . 20 . 7 PHE HA H 4.797 0.000 . 21 . 7 PHE HB2 H 2.626 0.000 . 22 . 7 PHE HB3 H 3.118 0.000 . 23 . 7 PHE CA C 57.018 0.000 . 24 . 7 PHE CB C 42.267 0.000 . 25 . 7 PHE N N 124.282 0.000 . 26 . 8 GLN H H 7.511 0.000 . 27 . 8 GLN HA H 5.208 0.000 . 28 . 8 GLN HB2 H 1.698 0.000 . 29 . 8 GLN HB3 H 1.619 0.000 . 30 . 8 GLN HG2 H 1.913 0.000 . 31 . 8 GLN HG3 H 1.913 0.000 . 32 . 8 GLN CA C 53.372 0.000 . 33 . 8 GLN CB C 32.072 0.000 . 34 . 8 GLN CG C 33.000 0.000 . 35 . 8 GLN N N 124.876 0.000 . 36 . 9 THR H H 8.523 0.000 . 37 . 9 THR HA H 4.445 0.000 . 38 . 9 THR HB H 3.784 0.000 . 39 . 9 THR HG2 H 1.170 0.000 . 40 . 9 THR CA C 60.687 0.000 . 41 . 9 THR CB C 69.448 0.000 . 42 . 9 THR CG2 C 21.111 0.000 . 43 . 9 THR N N 115.093 0.000 . 44 . 10 ASP H H 8.023 0.000 . 45 . 10 ASP HA H 4.757 0.000 . 46 . 10 ASP HB2 H 2.509 0.000 . 47 . 10 ASP HB3 H 2.858 0.000 . 48 . 10 ASP CA C 52.538 0.000 . 49 . 10 ASP CB C 40.924 0.000 . 50 . 10 ASP N N 125.457 0.000 . 51 . 11 ALA H H 8.239 0.000 . 52 . 11 ALA HA H 4.737 0.000 . 53 . 11 ALA HB H 1.410 0.000 . 54 . 11 ALA CA C 50.386 0.000 . 55 . 11 ALA CB C 22.396 0.000 . 56 . 11 ALA N N 126.268 0.000 . 57 . 12 ASP H H 7.682 0.000 . 58 . 12 ASP HA H 4.461 0.000 . 59 . 12 ASP HB2 H 2.441 0.000 . 60 . 12 ASP HB3 H 2.901 0.000 . 61 . 12 ASP CA C 55.432 0.000 . 62 . 12 ASP CB C 41.192 0.000 . 63 . 12 ASP N N 119.061 0.000 . 64 . 13 PHE H H 7.765 0.000 . 65 . 13 PHE HA H 5.022 0.000 . 66 . 13 PHE HB2 H 3.126 0.000 . 67 . 13 PHE HB3 H 2.977 0.000 . 68 . 13 PHE HD1 H 7.195 0.000 . 69 . 13 PHE HE1 H 6.354 0.000 . 70 . 13 PHE CA C 55.633 0.000 . 71 . 13 PHE CB C 40.847 0.000 . 72 . 13 PHE N N 115.068 0.000 . 73 . 14 LEU H H 8.932 0.000 . 74 . 14 LEU HA H 5.320 0.000 . 75 . 14 LEU HB2 H 1.244 0.000 . 76 . 14 LEU HB3 H 1.716 0.000 . 77 . 14 LEU HG H 1.495 0.000 . 78 . 14 LEU HD1 H 0.776 0.000 . 79 . 14 LEU HD2 H 0.718 0.000 . 80 . 14 LEU CA C 52.849 0.000 . 81 . 14 LEU CB C 44.089 0.000 . 82 . 14 LEU CG C 26.869 0.000 . 83 . 14 LEU CD1 C 25.167 0.000 . 84 . 14 LEU CD2 C 23.454 0.000 . 85 . 14 LEU N N 117.274 0.000 . 86 . 15 LEU H H 9.129 0.000 . 87 . 15 LEU HA H 4.973 0.000 . 88 . 15 LEU HB2 H 1.086 0.000 . 89 . 15 LEU HB3 H 1.537 0.000 . 90 . 15 LEU HG H 1.410 0.000 . 91 . 15 LEU HD1 H 0.595 0.000 . 92 . 15 LEU HD2 H 0.402 0.000 . 93 . 15 LEU CA C 53.272 0.000 . 94 . 15 LEU CB C 45.310 0.000 . 95 . 15 LEU CG C 26.368 0.000 . 96 . 15 LEU CD1 C 24.526 0.000 . 97 . 15 LEU CD2 C 25.194 0.000 . 98 . 15 LEU N N 121.712 0.000 . 99 . 16 VAL H H 8.494 0.000 . 100 . 16 VAL HA H 5.446 0.000 . 101 . 16 VAL HB H 1.822 0.000 . 102 . 16 VAL HG1 H 0.766 0.000 . 103 . 16 VAL HG2 H 0.803 0.000 . 104 . 16 VAL CA C 59.815 0.000 . 105 . 16 VAL CB C 35.367 0.000 . 106 . 16 VAL CG1 C 20.942 0.000 . 107 . 16 VAL CG2 C 20.881 0.000 . 108 . 16 VAL N N 121.571 0.000 . 109 . 17 GLY H H 8.566 0.000 . 110 . 17 GLY HA2 H 3.971 0.000 . 111 . 17 GLY HA3 H 4.137 0.000 . 112 . 17 GLY CA C 45.953 0.000 . 113 . 17 GLY N N 114.659 0.000 . 114 . 18 ASP H H 8.351 0.000 . 115 . 18 ASP HA H 4.540 0.000 . 116 . 18 ASP HB2 H 2.530 0.000 . 117 . 18 ASP HB3 H 2.650 0.000 . 118 . 18 ASP CA C 55.370 0.000 . 119 . 18 ASP CB C 41.618 0.000 . 120 . 18 ASP N N 114.909 0.000 . 121 . 19 ASP H H 8.010 0.000 . 122 . 19 ASP HA H 4.789 0.000 . 123 . 19 ASP HB2 H 2.379 0.000 . 124 . 19 ASP HB3 H 2.512 0.000 . 125 . 19 ASP CA C 52.425 0.000 . 126 . 19 ASP CB C 40.612 0.000 . 127 . 19 ASP N N 119.233 0.000 . 128 . 20 THR H H 7.947 0.000 . 129 . 20 THR HA H 4.440 0.000 . 130 . 20 THR HB H 3.783 0.000 . 131 . 20 THR HG2 H 1.180 0.000 . 132 . 20 THR CA C 60.562 0.000 . 133 . 20 THR CB C 70.216 0.000 . 134 . 20 THR CG2 C 21.138 0.000 . 135 . 20 THR N N 112.866 0.000 . 136 . 21 SER H H 7.679 0.000 . 137 . 21 SER HA H 3.890 0.000 . 138 . 21 SER CA C 62.099 0.000 . 139 . 21 SER CB C 63.054 0.000 . 140 . 21 SER N N 118.028 0.000 . 141 . 22 ARG H H 9.233 0.000 . 142 . 22 ARG HA H 4.784 0.000 . 143 . 22 ARG HB2 H 2.143 0.000 . 144 . 22 ARG HB3 H 1.595 0.000 . 145 . 22 ARG HG2 H 1.510 0.000 . 146 . 22 ARG HG3 H 1.660 0.000 . 147 . 22 ARG HD2 H 3.088 0.000 . 148 . 22 ARG HD3 H 3.088 0.000 . 149 . 22 ARG CA C 55.469 0.000 . 150 . 22 ARG CB C 30.370 0.000 . 151 . 22 ARG CG C 27.625 0.000 . 152 . 22 ARG CD C 43.094 0.000 . 153 . 22 ARG N N 119.613 0.000 . 154 . 23 TYR H H 7.478 0.000 . 155 . 23 TYR HA H 3.818 0.000 . 156 . 23 TYR HB2 H 2.137 0.000 . 157 . 23 TYR HB3 H 2.378 0.000 . 158 . 23 TYR CA C 60.134 0.000 . 159 . 23 TYR CB C 35.659 0.000 . 160 . 23 TYR N N 120.479 0.000 . 161 . 24 GLU H H 8.743 0.000 . 162 . 24 GLU HA H 3.604 0.000 . 163 . 24 GLU HB2 H 2.000 0.000 . 164 . 24 GLU HB3 H 1.908 0.000 . 165 . 24 GLU HG2 H 2.080 0.000 . 166 . 24 GLU HG3 H 2.185 0.000 . 167 . 24 GLU CA C 60.684 0.000 . 168 . 24 GLU CB C 29.070 0.000 . 169 . 24 GLU CG C 37.166 0.000 . 170 . 24 GLU N N 118.314 0.000 . 171 . 25 GLU H H 8.283 0.000 . 172 . 25 GLU HA H 3.826 0.000 . 173 . 25 GLU HB2 H 2.035 0.000 . 174 . 25 GLU HB3 H 1.879 0.000 . 175 . 25 GLU HG2 H 2.166 0.000 . 176 . 25 GLU HG3 H 2.166 0.000 . 177 . 25 GLU CA C 58.883 0.000 . 178 . 25 GLU CB C 29.510 0.000 . 179 . 25 GLU CG C 35.890 0.000 . 180 . 25 GLU N N 117.561 0.000 . 181 . 26 VAL H H 8.007 0.000 . 182 . 26 VAL HA H 3.680 0.000 . 183 . 26 VAL HB H 1.903 0.000 . 184 . 26 VAL HG1 H 0.926 0.000 . 185 . 26 VAL HG2 H 0.904 0.000 . 186 . 26 VAL CA C 65.899 0.000 . 187 . 26 VAL CB C 32.095 0.000 . 188 . 26 VAL CG1 C 23.832 0.000 . 189 . 26 VAL CG2 C 23.832 0.000 . 190 . 26 VAL N N 117.213 0.000 . 191 . 27 MET H H 8.461 0.000 . 192 . 27 MET HA H 4.890 0.000 . 193 . 27 MET HB2 H 2.139 0.000 . 194 . 27 MET HB3 H 1.810 0.000 . 195 . 27 MET HG2 H 2.790 0.000 . 196 . 27 MET HG3 H 2.255 0.000 . 197 . 27 MET CA C 56.485 0.000 . 198 . 27 MET CB C 29.503 0.000 . 199 . 27 MET CG C 32.023 0.000 . 200 . 27 MET N N 118.166 0.000 . 201 . 28 LYS H H 7.682 0.000 . 202 . 28 LYS HA H 4.183 0.000 . 203 . 28 LYS HB2 H 1.790 0.000 . 204 . 28 LYS HB3 H 1.900 0.000 . 205 . 28 LYS HG2 H 1.430 0.000 . 206 . 28 LYS HG3 H 1.430 0.000 . 207 . 28 LYS HD2 H 1.649 0.000 . 208 . 28 LYS HD3 H 1.613 0.000 . 209 . 28 LYS HE2 H 2.881 0.000 . 210 . 28 LYS HE3 H 2.925 0.000 . 211 . 28 LYS CA C 57.772 0.000 . 212 . 28 LYS CB C 31.333 0.000 . 213 . 28 LYS CG C 26.720 0.000 . 214 . 28 LYS CD C 26.817 0.000 . 215 . 28 LYS CE C 41.662 0.000 . 216 . 28 LYS N N 114.774 0.000 . 217 . 29 THR H H 7.629 0.000 . 218 . 29 THR HA H 4.124 0.000 . 219 . 29 THR HB H 3.675 0.000 . 220 . 29 THR HG2 H 1.259 0.000 . 221 . 29 THR CA C 63.403 0.000 . 222 . 29 THR CB C 69.811 0.000 . 223 . 29 THR N N 109.023 0.000 . 224 . 30 PHE H H 7.510 0.000 . 225 . 30 PHE HA H 4.670 0.000 . 226 . 30 PHE HB2 H 3.205 0.000 . 227 . 30 PHE HB3 H 3.369 0.000 . 228 . 30 PHE CA C 57.896 0.000 . 229 . 30 PHE CB C 39.616 0.000 . 230 . 30 PHE N N 121.544 0.000 . 231 . 31 ASP H H 8.925 0.000 . 232 . 31 ASP HA H 4.425 0.000 . 233 . 31 ASP HB2 H 2.709 0.000 . 234 . 31 ASP HB3 H 2.856 0.000 . 235 . 31 ASP CA C 56.102 0.000 . 236 . 31 ASP CB C 40.266 0.000 . 237 . 31 ASP N N 124.070 0.000 . 238 . 32 THR H H 7.394 0.000 . 239 . 32 THR HA H 4.059 0.000 . 240 . 32 THR HG2 H 1.633 0.000 . 241 . 32 THR CA C 61.465 0.000 . 242 . 32 THR CB C 70.047 0.000 . 243 . 32 THR N N 106.046 0.000 . 244 . 33 VAL H H 7.394 0.000 . 245 . 33 VAL HA H 3.818 0.000 . 246 . 33 VAL HB H 2.335 0.000 . 247 . 33 VAL HG1 H 0.563 0.000 . 248 . 33 VAL HG2 H 0.884 0.000 . 249 . 33 VAL CA C 63.292 0.000 . 250 . 33 VAL CB C 32.980 0.000 . 251 . 33 VAL CG1 C 21.464 0.000 . 252 . 33 VAL CG2 C 22.776 0.000 . 253 . 33 VAL N N 122.532 0.000 . 254 . 34 GLU H H 9.331 0.000 . 255 . 34 GLU HA H 4.165 0.000 . 256 . 34 GLU HB2 H 1.558 0.000 . 257 . 34 GLU HB3 H 1.669 0.000 . 258 . 34 GLU HG2 H 1.980 0.000 . 259 . 34 GLU HG3 H 2.100 0.000 . 260 . 34 GLU CA C 57.148 0.000 . 261 . 34 GLU CB C 31.091 0.000 . 262 . 34 GLU CG C 35.568 0.000 . 263 . 34 GLU N N 129.961 0.000 . 264 . 35 ALA H H 7.856 0.000 . 265 . 35 ALA HA H 4.480 0.000 . 266 . 35 ALA HB H 1.223 0.000 . 267 . 35 ALA CA C 51.380 0.000 . 268 . 35 ALA CB C 22.471 0.000 . 269 . 35 ALA N N 118.764 0.000 . 270 . 36 VAL H H 8.399 0.000 . 271 . 36 VAL HA H 5.107 0.000 . 272 . 36 VAL HB H 1.890 0.000 . 273 . 36 VAL HG1 H 0.809 0.000 . 274 . 36 VAL HG2 H 0.883 0.000 . 275 . 36 VAL CA C 59.777 0.000 . 276 . 36 VAL CB C 34.061 0.000 . 277 . 36 VAL CG1 C 20.881 0.000 . 278 . 36 VAL CG2 C 21.418 0.000 . 279 . 36 VAL N N 118.318 0.000 . 280 . 37 ARG H H 8.929 0.000 . 281 . 37 ARG HA H 4.696 0.000 . 282 . 37 ARG HB2 H 1.670 0.000 . 283 . 37 ARG HB3 H 1.529 0.000 . 284 . 37 ARG HG2 H 1.385 0.000 . 285 . 37 ARG HG3 H 1.484 0.000 . 286 . 37 ARG HD2 H 3.044 0.000 . 287 . 37 ARG HD3 H 3.044 0.000 . 288 . 37 ARG CA C 54.292 0.000 . 289 . 37 ARG CB C 33.641 0.000 . 290 . 37 ARG CG C 27.001 0.000 . 291 . 37 ARG CD C 43.356 0.000 . 292 . 37 ARG N N 124.364 0.000 . 293 . 38 LYS H H 8.716 0.000 . 294 . 38 LYS HA H 3.150 0.000 . 295 . 38 LYS HB2 H 1.194 0.000 . 296 . 38 LYS HB3 H 1.336 0.000 . 297 . 38 LYS HG2 H 0.887 0.000 . 298 . 38 LYS HG3 H 0.887 0.000 . 299 . 38 LYS HD2 H 1.480 0.000 . 300 . 38 LYS HD3 H 1.592 0.000 . 301 . 38 LYS HE2 H 2.865 0.000 . 302 . 38 LYS HE3 H 2.908 0.000 . 303 . 38 LYS CA C 56.536 0.000 . 304 . 38 LYS CB C 32.294 0.000 . 305 . 38 LYS CG C 23.761 0.000 . 306 . 38 LYS CD C 28.852 0.000 . 307 . 38 LYS CE C 41.470 0.000 . 308 . 38 LYS N N 127.989 0.000 . 309 . 39 SER H H 8.492 0.000 . 310 . 39 SER HA H 4.264 0.000 . 311 . 39 SER CA C 58.214 0.000 . 312 . 39 SER CB C 63.452 0.000 . 313 . 39 SER N N 120.978 0.000 . 314 . 40 ASP H H 8.623 0.000 . 315 . 40 ASP HA H 4.377 0.000 . 316 . 40 ASP HB2 H 2.479 0.000 . 317 . 40 ASP HB3 H 2.609 0.000 . 318 . 40 ASP CA C 55.606 0.000 . 319 . 40 ASP CB C 40.805 0.000 . 320 . 40 ASP N N 124.660 0.000 . 321 . 41 LEU H H 7.980 0.000 . 322 . 41 LEU HA H 4.868 0.000 . 323 . 41 LEU CA C 55.213 0.000 . 324 . 41 LEU CB C 43.493 0.000 . 325 . 41 LEU N N 117.617 0.000 . 326 . 42 ASP H H 7.013 0.000 . 327 . 42 ASP HA H 4.559 0.000 . 328 . 42 ASP HB2 H 2.324 0.000 . 329 . 42 ASP HB3 H 2.612 0.000 . 330 . 42 ASP CA C 53.495 0.000 . 331 . 42 ASP CB C 43.182 0.000 . 332 . 42 ASP N N 118.831 0.000 . 333 . 43 ASP H H 8.481 0.000 . 334 . 43 ASP HA H 4.303 0.000 . 335 . 43 ASP HB2 H 2.686 0.000 . 336 . 43 ASP HB3 H 2.616 0.000 . 337 . 43 ASP CA C 55.952 0.000 . 338 . 43 ASP CB C 40.638 0.000 . 339 . 43 ASP N N 124.427 0.000 . 340 . 44 ARG H H 8.525 0.000 . 341 . 44 ARG HA H 4.415 0.000 . 342 . 44 ARG HB2 H 1.676 0.000 . 343 . 44 ARG HB3 H 2.240 0.000 . 344 . 44 ARG HG2 H 1.614 0.000 . 345 . 44 ARG HG3 H 1.614 0.000 . 346 . 44 ARG HD2 H 3.187 0.000 . 347 . 44 ARG HD3 H 3.187 0.000 . 348 . 44 ARG CA C 56.896 0.000 . 349 . 44 ARG CB C 31.041 0.000 . 350 . 44 ARG CG C 28.380 0.000 . 351 . 44 ARG CD C 43.659 0.000 . 352 . 44 ARG N N 118.075 0.000 . 353 . 45 VAL H H 7.235 0.000 . 354 . 45 VAL HA H 4.938 0.000 . 355 . 45 VAL HB H 2.020 0.000 . 356 . 45 VAL HG1 H 0.860 0.000 . 357 . 45 VAL HG2 H 0.882 0.000 . 358 . 45 VAL CA C 61.655 0.000 . 359 . 45 VAL CB C 34.266 0.000 . 360 . 45 VAL CG1 C 21.366 0.000 . 361 . 45 VAL CG2 C 21.385 0.000 . 362 . 45 VAL N N 114.911 0.000 . 363 . 46 TYR H H 9.556 0.000 . 364 . 46 TYR HA H 4.797 0.000 . 365 . 46 TYR HB2 H 2.990 0.000 . 366 . 46 TYR HB3 H 2.384 0.000 . 367 . 46 TYR HD1 H 6.854 0.000 . 368 . 46 TYR HD2 H 6.862 0.000 . 369 . 46 TYR HE1 H 6.720 0.000 . 370 . 46 TYR HE2 H 6.726 0.000 . 371 . 46 TYR CA C 56.802 0.000 . 372 . 46 TYR CB C 42.159 0.000 . 373 . 46 TYR N N 127.063 0.000 . 374 . 47 MET H H 9.150 0.000 . 375 . 47 MET HA H 4.546 0.000 . 376 . 47 MET HB2 H 1.850 0.000 . 377 . 47 MET HB3 H 1.771 0.000 . 378 . 47 MET HG2 H 2.299 0.000 . 379 . 47 MET HG3 H 2.212 0.000 . 380 . 47 MET CA C 55.280 0.000 . 381 . 47 MET CB C 34.494 0.000 . 382 . 47 MET CG C 31.994 0.000 . 383 . 47 MET N N 121.198 0.000 . 384 . 48 VAL H H 8.981 0.000 . 385 . 48 VAL HA H 3.890 0.000 . 386 . 48 VAL HB H 1.890 0.000 . 387 . 48 VAL HG1 H 0.098 0.000 . 388 . 48 VAL HG2 H 0.337 0.000 . 389 . 48 VAL CA C 62.128 0.000 . 390 . 48 VAL CB C 31.122 0.000 . 391 . 48 VAL CG1 C 22.981 0.000 . 392 . 48 VAL CG2 C 21.841 0.000 . 393 . 48 VAL N N 126.954 0.000 . 394 . 49 CYS H H 8.365 0.000 . 395 . 49 CYS HA H 4.550 0.000 . 396 . 49 CYS HB2 H 2.856 0.000 . 397 . 49 CYS HB3 H 2.927 0.000 . 398 . 49 CYS CA C 55.854 0.000 . 399 . 49 CYS CB C 28.700 0.000 . 400 . 49 CYS N N 123.493 0.000 . 401 . 50 LEU H H 8.899 0.000 . 402 . 50 LEU HA H 4.639 0.000 . 403 . 50 LEU HB2 H 1.710 0.000 . 404 . 50 LEU HB3 H 1.485 0.000 . 405 . 50 LEU HG H 1.666 0.000 . 406 . 50 LEU HD1 H 0.779 0.000 . 407 . 50 LEU HD2 H 0.660 0.000 . 408 . 50 LEU CA C 54.141 0.000 . 409 . 50 LEU CB C 42.161 0.000 . 410 . 50 LEU CG C 27.409 0.000 . 411 . 50 LEU CD1 C 26.190 0.000 . 412 . 50 LEU CD2 C 25.702 0.000 . 413 . 50 LEU N N 125.780 0.000 . 414 . 51 LYS H H 8.363 0.000 . 415 . 51 LYS HA H 4.055 0.000 . 416 . 51 LYS HB2 H 1.721 0.000 . 417 . 51 LYS HB3 H 1.551 0.000 . 418 . 51 LYS HG2 H 1.098 0.000 . 419 . 51 LYS HG3 H 1.371 0.000 . 420 . 51 LYS HD2 H 1.633 0.000 . 421 . 51 LYS HD3 H 1.633 0.000 . 422 . 51 LYS HE2 H 2.761 0.000 . 423 . 51 LYS HE3 H 2.891 0.000 . 424 . 51 LYS CA C 57.056 0.000 . 425 . 51 LYS CB C 32.936 0.000 . 426 . 51 LYS CG C 26.350 0.000 . 427 . 51 LYS CD C 29.511 0.000 . 428 . 51 LYS CE C 42.310 0.000 . 429 . 51 LYS N N 122.098 0.000 . 430 . 52 GLN H H 8.661 0.000 . 431 . 52 GLN HA H 4.048 0.000 . 432 . 52 GLN CA C 57.592 0.000 . 433 . 52 GLN CB C 28.227 0.000 . 434 . 52 GLN N N 124.534 0.000 . 435 . 53 GLY H H 9.014 0.000 . 436 . 53 GLY HA2 H 4.128 0.000 . 437 . 53 GLY HA3 H 3.722 0.000 . 438 . 53 GLY CA C 45.587 0.000 . 439 . 53 GLY N N 114.849 0.000 . 440 . 54 SER H H 8.004 0.000 . 441 . 54 SER HA H 4.609 0.000 . 442 . 54 SER HB2 H 3.664 0.000 . 443 . 54 SER HB3 H 3.945 0.000 . 444 . 54 SER CA C 59.279 0.000 . 445 . 54 SER CB C 64.950 0.000 . 446 . 54 SER N N 116.856 0.000 . 447 . 55 THR H H 8.304 0.000 . 448 . 55 THR HA H 4.438 0.000 . 449 . 55 THR HB H 3.699 0.000 . 450 . 55 THR HG2 H 0.872 0.000 . 451 . 55 THR CA C 61.829 0.000 . 452 . 55 THR CB C 70.736 0.000 . 453 . 55 THR N N 116.683 0.000 . 454 . 56 PHE H H 8.997 0.000 . 455 . 56 PHE HA H 4.432 0.000 . 456 . 56 PHE HB2 H 2.979 0.000 . 457 . 56 PHE HB3 H 2.976 0.000 . 458 . 56 PHE HD1 H 6.895 0.000 . 459 . 56 PHE HE1 H 6.420 0.000 . 460 . 56 PHE HZ H 6.124 0.000 . 461 . 56 PHE CA C 58.085 0.000 . 462 . 56 PHE CB C 40.770 0.000 . 463 . 56 PHE N N 128.937 0.000 . 464 . 57 VAL H H 7.389 0.000 . 465 . 57 VAL HA H 4.440 0.000 . 466 . 57 VAL HB H 1.634 0.000 . 467 . 57 VAL HG1 H 0.662 0.000 . 468 . 57 VAL HG2 H 0.662 0.000 . 469 . 57 VAL CA C 60.562 0.000 . 470 . 57 VAL CB C 35.172 0.000 . 471 . 57 VAL CG1 C 20.837 0.000 . 472 . 57 VAL CG2 C 20.837 0.000 . 473 . 57 VAL N N 126.082 0.000 . 474 . 58 LEU H H 8.701 0.000 . 475 . 58 LEU HA H 4.541 0.000 . 476 . 58 LEU HB2 H 1.324 0.000 . 477 . 58 LEU HB3 H 1.662 0.000 . 478 . 58 LEU HG H 1.333 0.000 . 479 . 58 LEU HD1 H 0.753 0.000 . 480 . 58 LEU HD2 H 0.674 0.000 . 481 . 58 LEU CA C 52.418 0.000 . 482 . 58 LEU CB C 44.037 0.000 . 483 . 58 LEU CG C 26.149 0.000 . 484 . 58 LEU CD1 C 25.419 0.000 . 485 . 58 LEU CD2 C 25.702 0.000 . 486 . 58 LEU N N 126.023 0.000 . 487 . 59 ASN H H 9.566 0.000 . 488 . 59 ASN HA H 4.407 0.000 . 489 . 59 ASN HB2 H 2.759 0.000 . 490 . 59 ASN HB3 H 2.671 0.000 . 491 . 59 ASN CA C 56.487 0.000 . 492 . 59 ASN CB C 38.160 0.000 . 493 . 59 ASN N N 129.241 0.000 . 494 . 60 GLY H H 8.929 0.000 . 495 . 60 GLY HA2 H 3.766 0.000 . 496 . 60 GLY HA3 H 4.185 0.000 . 497 . 60 GLY CA C 45.079 0.000 . 498 . 60 GLY N N 107.661 0.000 . 499 . 61 GLY H H 7.320 0.000 . 500 . 61 GLY HA2 H 4.191 0.000 . 501 . 61 GLY HA3 H 3.522 0.000 . 502 . 61 GLY CA C 45.558 0.000 . 503 . 61 GLY N N 106.106 0.000 . 504 . 62 ILE H H 8.539 0.000 . 505 . 62 ILE HA H 3.560 0.000 . 506 . 62 ILE HB H 1.600 0.000 . 507 . 62 ILE HG12 H 1.062 0.000 . 508 . 62 ILE HG13 H 1.112 0.000 . 509 . 62 ILE HG2 H 0.774 0.000 . 510 . 62 ILE HD1 H 0.651 0.000 . 511 . 62 ILE CA C 63.269 0.000 . 512 . 62 ILE CB C 38.026 0.000 . 513 . 62 ILE CG1 C 29.375 0.000 . 514 . 62 ILE CG2 C 17.319 0.000 . 515 . 62 ILE CD1 C 14.133 0.000 . 516 . 62 ILE N N 121.174 0.000 . 517 . 63 GLU H H 8.730 0.000 . 518 . 63 GLU HA H 3.857 0.000 . 519 . 63 GLU HB2 H 1.987 0.000 . 520 . 63 GLU HB3 H 1.987 0.000 . 521 . 63 GLU HG2 H 2.289 0.000 . 522 . 63 GLU HG3 H 2.289 0.000 . 523 . 63 GLU CA C 59.579 0.000 . 524 . 63 GLU CB C 28.909 0.000 . 525 . 63 GLU CG C 36.377 0.000 . 526 . 63 GLU N N 120.923 0.000 . 527 . 64 GLU H H 7.234 0.000 . 528 . 64 GLU HA H 4.057 0.000 . 529 . 64 GLU HB2 H 1.809 0.000 . 530 . 64 GLU HB3 H 1.809 0.000 . 531 . 64 GLU HG2 H 2.116 0.000 . 532 . 64 GLU HG3 H 2.116 0.000 . 533 . 64 GLU CA C 59.121 0.000 . 534 . 64 GLU CB C 29.675 0.000 . 535 . 64 GLU CG C 36.598 0.000 . 536 . 64 GLU N N 119.795 0.000 . 537 . 65 LEU H H 7.211 0.000 . 538 . 65 LEU HA H 4.192 0.000 . 539 . 65 LEU HB2 H 1.586 0.000 . 540 . 65 LEU HB3 H 1.486 0.000 . 541 . 65 LEU HG H 1.630 0.000 . 542 . 65 LEU HD1 H 0.872 0.000 . 543 . 65 LEU HD2 H 0.723 0.000 . 544 . 65 LEU CA C 57.148 0.000 . 545 . 65 LEU CB C 42.250 0.000 . 546 . 65 LEU CG C 26.888 0.000 . 547 . 65 LEU CD1 C 24.505 0.000 . 548 . 65 LEU CD2 C 25.229 0.000 . 549 . 65 LEU N N 118.492 0.000 . 550 . 66 ARG H H 8.494 0.000 . 551 . 66 ARG HA H 3.788 0.000 . 552 . 66 ARG HB2 H 2.036 0.000 . 553 . 66 ARG HB3 H 2.036 0.000 . 554 . 66 ARG HG2 H 1.642 0.000 . 555 . 66 ARG HG3 H 1.642 0.000 . 556 . 66 ARG HD2 H 2.812 0.000 . 557 . 66 ARG HD3 H 3.044 0.000 . 558 . 66 ARG CA C 60.072 0.000 . 559 . 66 ARG CB C 29.565 0.000 . 560 . 66 ARG CG C 29.113 0.000 . 561 . 66 ARG CD C 43.551 0.000 . 562 . 66 ARG N N 122.359 0.000 . 563 . 67 LEU H H 7.711 0.000 . 564 . 67 LEU HA H 4.034 0.000 . 565 . 67 LEU HB2 H 1.636 0.000 . 566 . 67 LEU HB3 H 1.795 0.000 . 567 . 67 LEU HG H 1.631 0.000 . 568 . 67 LEU HD1 H 0.842 0.000 . 569 . 67 LEU HD2 H 0.817 0.000 . 570 . 67 LEU CA C 57.968 0.000 . 571 . 67 LEU CB C 41.520 0.000 . 572 . 67 LEU CG C 26.888 0.000 . 573 . 67 LEU CD1 C 24.603 0.000 . 574 . 67 LEU CD2 C 24.672 0.000 . 575 . 67 LEU N N 120.778 0.000 . 576 . 68 LEU H H 8.225 0.000 . 577 . 68 LEU HA H 4.034 0.000 . 578 . 68 LEU HB2 H 1.494 0.000 . 579 . 68 LEU HB3 H 1.850 0.000 . 580 . 68 LEU HG H 1.418 0.000 . 581 . 68 LEU HD1 H 0.949 0.000 . 582 . 68 LEU HD2 H 0.949 0.000 . 583 . 68 LEU CA C 57.795 0.000 . 584 . 68 LEU CB C 43.638 0.000 . 585 . 68 LEU CG C 27.345 0.000 . 586 . 68 LEU CD1 C 25.283 0.000 . 587 . 68 LEU CD2 C 25.283 0.000 . 588 . 68 LEU N N 118.861 0.000 . 589 . 69 THR H H 7.943 0.000 . 590 . 69 THR HA H 3.969 0.000 . 591 . 69 THR HB H 3.790 0.000 . 592 . 69 THR HG2 H 1.033 0.000 . 593 . 69 THR CA C 63.094 0.000 . 594 . 69 THR CB C 70.761 0.000 . 595 . 69 THR N N 129.349 0.000 . 596 . 70 GLY H H 7.547 0.000 . 597 . 70 GLY HA2 H 4.087 0.000 . 598 . 70 GLY HA3 H 3.753 0.000 . 599 . 70 GLY CA C 45.890 0.000 . 600 . 70 GLY N N 111.191 0.000 . 601 . 71 ASP H H 7.849 0.000 . 602 . 71 ASP HA H 5.044 0.000 . 603 . 71 ASP HB2 H 3.245 0.000 . 604 . 71 ASP HB3 H 2.835 0.000 . 605 . 71 ASP CA C 51.984 0.000 . 606 . 71 ASP CB C 41.851 0.000 . 607 . 71 ASP N N 119.342 0.000 . 608 . 72 SER H H 8.474 0.000 . 609 . 72 SER HA H 3.981 0.000 . 610 . 72 SER HB2 H 3.873 0.000 . 611 . 72 SER HB3 H 3.873 0.000 . 612 . 72 SER CA C 60.777 0.000 . 613 . 72 SER CB C 62.837 0.000 . 614 . 72 SER N N 119.674 0.000 . 615 . 73 THR H H 8.178 0.000 . 616 . 73 THR HA H 4.197 0.000 . 617 . 73 THR HB H 3.895 0.000 . 618 . 73 THR CA C 62.015 0.000 . 619 . 73 THR CB C 70.450 0.000 . 620 . 73 THR N N 110.718 0.000 . 621 . 74 LEU H H 6.605 0.000 . 622 . 74 LEU HA H 4.415 0.000 . 623 . 74 LEU HB2 H 1.405 0.000 . 624 . 74 LEU HB3 H 1.754 0.000 . 625 . 74 LEU HG H 1.275 0.000 . 626 . 74 LEU HD1 H 0.451 0.000 . 627 . 74 LEU HD2 H 0.418 0.000 . 628 . 74 LEU CA C 56.896 0.000 . 629 . 74 LEU CB C 43.266 0.000 . 630 . 74 LEU CG C 26.749 0.000 . 631 . 74 LEU CD1 C 27.357 0.000 . 632 . 74 LEU CD2 C 26.243 0.000 . 633 . 74 LEU N N 123.813 0.000 . 634 . 75 GLU H H 9.266 0.000 . 635 . 75 GLU HA H 4.515 0.000 . 636 . 75 GLU HB2 H 1.926 0.000 . 637 . 75 GLU HB3 H 1.730 0.000 . 638 . 75 GLU HG2 H 2.270 0.000 . 639 . 75 GLU HG3 H 2.211 0.000 . 640 . 75 GLU CA C 54.727 0.000 . 641 . 75 GLU CB C 33.678 0.000 . 642 . 75 GLU CG C 35.700 0.000 . 643 . 75 GLU N N 125.301 0.000 . 644 . 76 ILE H H 7.677 0.000 . 645 . 76 ILE HA H 4.863 0.000 . 646 . 76 ILE HB H 0.958 0.000 . 647 . 76 ILE HG12 H 0.496 0.000 . 648 . 76 ILE HG13 H 1.081 0.000 . 649 . 76 ILE HG2 H 0.244 0.000 . 650 . 76 ILE HD1 H -0.293 0.000 . 651 . 76 ILE CA C 60.199 0.000 . 652 . 76 ILE CB C 39.759 0.000 . 653 . 76 ILE CG1 C 27.755 0.000 . 654 . 76 ILE CG2 C 17.154 0.000 . 655 . 76 ILE CD1 C 12.714 0.000 . 656 . 76 ILE N N 119.683 0.000 . 657 . 77 GLN H H 9.086 0.000 . 658 . 77 GLN HA H 4.992 0.000 . 659 . 77 GLN HG2 H 2.249 0.000 . 660 . 77 GLN HG3 H 2.172 0.000 . 661 . 77 GLN CA C 51.941 0.000 . 662 . 77 GLN CB C 31.014 0.000 . 663 . 77 GLN CG C 32.798 0.000 . 664 . 77 GLN N N 127.300 0.000 . 665 . 78 PRO HA H 4.675 0.000 . 666 . 78 PRO HB2 H 2.306 0.000 . 667 . 78 PRO HG2 H 2.000 0.000 . 668 . 78 PRO HD2 H 3.727 0.000 . 669 . 78 PRO CA C 62.325 0.000 . 670 . 78 PRO CB C 32.174 0.000 . 671 . 78 PRO CG C 27.239 0.000 . 672 . 78 PRO CD C 50.494 0.000 . 673 . 79 MET H H 8.324 0.000 . 674 . 79 MET HA H 4.308 0.000 . 675 . 79 MET HB2 H 1.769 0.000 . 676 . 79 MET HB3 H 1.955 0.000 . 677 . 79 MET HG2 H 2.377 0.000 . 678 . 79 MET HG3 H 2.397 0.000 . 679 . 79 MET CA C 55.955 0.000 . 680 . 79 MET CB C 32.943 0.000 . 681 . 79 MET CG C 32.202 0.000 . 682 . 79 MET N N 119.069 0.000 . 683 . 80 ILE H H 8.016 0.000 . 684 . 80 ILE HA H 4.143 0.000 . 685 . 80 ILE HB H 1.727 0.000 . 686 . 80 ILE HG12 H 1.385 0.000 . 687 . 80 ILE HG13 H 1.385 0.000 . 688 . 80 ILE HG2 H 1.090 0.000 . 689 . 80 ILE HD1 H 0.766 0.000 . 690 . 80 ILE CA C 60.315 0.000 . 691 . 80 ILE CB C 38.790 0.000 . 692 . 80 ILE CD1 C 17.319 0.000 . 693 . 80 ILE N N 123.121 0.000 . 694 . 81 VAL H H 8.326 0.000 . 695 . 81 VAL HA H 4.147 0.000 . 696 . 81 VAL HB H 2.014 0.000 . 697 . 81 VAL HG1 H 0.767 0.000 . 698 . 81 VAL HG2 H 0.867 0.000 . 699 . 81 VAL CA C 59.617 0.000 . 700 . 81 VAL CB C 32.531 0.000 . 701 . 81 VAL N N 127.590 0.000 . 702 . 82 PRO HA H 4.420 0.000 . 703 . 82 PRO HB2 H 2.245 0.000 . 704 . 82 PRO HG2 H 1.983 0.000 . 705 . 82 PRO HD2 H 3.846 0.000 . 706 . 82 PRO CA C 63.039 0.000 . 707 . 82 PRO CB C 32.246 0.000 . 708 . 82 PRO CG C 27.350 0.000 . 709 . 82 PRO CD C 51.136 0.000 . 710 . 83 THR H H 8.239 0.000 . 711 . 83 THR HA H 4.640 0.000 . 712 . 83 THR HB H 4.424 0.000 . 713 . 83 THR HG2 H 1.167 0.000 . 714 . 83 THR CA C 61.616 0.000 . 715 . 83 THR CB C 69.901 0.000 . 716 . 83 THR N N 115.125 0.000 . 717 . 84 THR H H 8.168 0.000 . 718 . 84 THR HA H 4.448 0.000 . 719 . 84 THR CA C 61.674 0.000 . 720 . 84 THR CB C 70.700 0.000 . 721 . 84 THR N N 116.528 0.000 . 722 . 85 GLU H H 7.980 0.000 . 723 . 85 GLU HA H 4.034 0.000 . 724 . 85 GLU HG2 H 2.323 0.000 . 725 . 85 GLU HG3 H 2.389 0.000 . 726 . 85 GLU CA C 57.963 0.000 . 727 . 85 GLU CB C 30.977 0.000 . 728 . 85 GLU CG C 33.678 0.000 . 729 . 85 GLU N N 128.187 0.000 . stop_ save_