data_6867 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of micelle-bound fusion domain of HIV-1 gp41 ; _BMRB_accession_number 6867 _BMRB_flat_file_name bmr6867.str _Entry_type original _Submission_date 2005-10-20 _Accession_date 2005-11-10 _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 Jaroniec C. P. . 2 Kaufman J. D. . 3 Stahl S. J. . 4 Viard M. . . 5 Blumenthal R. . . 6 Wingfield P. T. . 7 Bax A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 81 "13C chemical shifts" 110 "15N chemical shifts" 38 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-12-28 original author . stop_ _Original_release_date 2005-12-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and Dynamics of Micelle-Associated Human Immunodeficiency Virus gp41 Fusion Domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16331977 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jaroniec C. P. . 2 Kaufman J. D. . 3 Stahl S. J. . 4 Viard M. . . 5 Blumenthal R. . . 6 Wingfield P. T. . 7 Bax A. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 49 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16167 _Page_last 16180 _Year 2005 _Details . loop_ _Keyword domain fusion gp41 HIV membrane micelle peptide protein virus stop_ save_ ################################## # Molecular system description # ################################## save_system_GP160 _Saveframe_category molecular_system _Mol_system_name 'Envelope polyprotein GP160' _Abbreviation_common 'Envelope polyprotein GP160' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Envelope polyprotein GP160' $GP160 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GP160 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Envelope polyprotein GP160' _Abbreviation_common 'Envelope polyprotein GP160' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 39 _Mol_residue_sequence ; PAVGIGALFLGFLGAAGSTM GAASMTLTVQADYKDDDDK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 PRO 2 1 ALA 3 2 VAL 4 3 GLY 5 4 ILE 6 5 GLY 7 6 ALA 8 7 LEU 9 8 PHE 10 9 LEU 11 10 GLY 12 11 PHE 13 12 LEU 14 13 GLY 15 14 ALA 16 15 ALA 17 16 GLY 18 17 SER 19 18 THR 20 19 MET 21 20 GLY 22 21 ALA 23 22 ALA 24 23 SER 25 24 MET 26 25 THR 27 26 LEU 28 27 THR 29 28 VAL 30 29 GLN 31 30 ALA 32 31 ASP 33 32 TYR 34 33 LYS 35 34 ASP 36 35 ASP 37 36 ASP 38 37 ASP 39 38 LYS 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 2ARI "Solution Structure Of Micelle-Bound Fusion Domain Of Hiv-1 Gp41" 100.00 39 100.00 100.00 6.74e-17 DBJ BAD66665 "envelope protein [Simian immunodeficiency virus]" 76.92 854 100.00 100.00 2.24e-09 DBJ BAE96228 "envelope glycoprotein [Human immunodeficiency virus 1]" 76.92 859 100.00 100.00 2.25e-09 DBJ BAE96229 "envelope glycoprotein [Human immunodeficiency virus 1]" 76.92 859 100.00 100.00 2.25e-09 DBJ BAE96230 "envelope glycoprotein [Human immunodeficiency virus 1]" 76.92 859 100.00 100.00 2.25e-09 DBJ BAE96231 "envelope glycoprotein [Human immunodeficiency virus 1]" 76.92 859 100.00 100.00 2.25e-09 EMBL CAA25903 "unnamed protein product [Human immunodeficiency virus 1]" 76.92 833 100.00 100.00 2.22e-09 EMBL CAA43618 "envelope protein; gp120 /gp41 [Human immunodeficiency virus 1]" 76.92 357 100.00 100.00 9.74e-10 EMBL CAA43620 "envelope protein; gp120 /gp41 [Human immunodeficiency virus 1]" 76.92 357 100.00 100.00 9.74e-10 EMBL CAA77628 "env polyprotein [Human immunodeficiency virus 1]" 76.92 851 100.00 100.00 2.24e-09 GB AAA44205 "envelope polyprotein [Human immunodeficiency virus 1]" 76.92 856 100.00 100.00 2.24e-09 GB AAA44661 "envelope protein precursor [Human immunodeficiency virus 1]" 76.92 851 100.00 100.00 2.24e-09 GB AAA44679 "envelope polyprotein [Human immunodeficiency virus 1]" 76.92 856 100.00 100.00 2.24e-09 GB AAA44850 "envelope polyprotein, partial [Human immunodeficiency virus 1]" 76.92 854 100.00 100.00 2.24e-09 GB AAA44992 "envelope polyprotein [Human immunodeficiency virus 1]" 76.92 854 100.00 100.00 2.24e-09 PRF 1102247A "protein env-lor" 76.92 863 100.00 100.00 2.25e-09 PRF 1103299B "env gene" 76.92 856 100.00 100.00 2.24e-09 PRF 1923361A "gp41 protein" 76.92 746 100.00 100.00 2.10e-09 PRF 2207165U "env gene" 76.92 852 100.00 100.00 2.24e-09 PRF 2207165V "env gene" 76.92 852 100.00 100.00 2.24e-09 REF NP_057856 "Envelope surface glycoprotein gp160, precursor [Human immunodeficiency virus 1]" 76.92 856 100.00 100.00 2.24e-09 REF NP_579895 "Envelope transmembrane glycoprotein gp41 [Human immunodeficiency virus 1]" 76.92 345 100.00 100.00 9.09e-10 SP P03375 "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" 76.92 856 100.00 100.00 2.24e-09 SP P04578 "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" 76.92 856 100.00 100.00 2.24e-09 SP P04582 "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" 76.92 851 100.00 100.00 2.24e-09 SP P04624 "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" 76.92 856 100.00 100.00 2.24e-09 SP P19551 "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" 76.92 853 100.00 100.00 2.24e-09 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GP160 HIV-1 11676 Viruses . Lentivirus HIV-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 $GP160 '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 $GP160 0.7 mM '[U-2H; U-13C; U-15N]' 'sodium dodecyl sulfate' 75 mM . 'sodium phosphate' 25 mM . 'sodium azide' 0.05 '% (w/v)' . H2O 93 % . D2O 7 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GP160 0.7 mM [U-15N] 'sodium dodecyl sulfate' 75 mM . 'sodium phosphate' 25 mM . 'sodium azide' 0.05 '% (w/v)' . H2O 93 % . D2O 7 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; Sample aligned with respect to the magnetic field using a stretched polyacryalmide gel. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GP160 0.7 mM [U-15N] 'sodium dodecyl sulfate' 75 mM . 'sodium phosphate' 25 mM . 'sodium azide' 0.05 '% (w/v)' . H2O 93 % . D2O 7 % . 'polyacryalmide gel' . mM . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version '2.6 & 3.5' loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address Delaglio . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3.11 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.4 loop_ _Vendor _Address _Electronic_address Schwieters . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label . save_ save_2D_HNCG_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCG' _Sample_label . save_ save_3D_15N-separated_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated TOCSY' _Sample_label . save_ save_3D_15N-separated_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCG' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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' 100 . mM pH 6.5 . 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 water C 13 protons ppm 0.0 external indirect . . . 0.251449486 water H 1 protons ppm . internal direct . . . 1.0 water N 15 protons ppm 0.0 external 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 'Envelope polyprotein GP160' _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 . 1 PRO CA C 62.223 0.01 1 2 . 1 PRO C C 172.148 0.01 1 3 . 1 PRO CB C 31.404 0.01 1 4 . 2 ALA H H 8.637 0.01 1 5 . 2 ALA N N 123.301 0.01 1 6 . 2 ALA CA C 52.819 0.01 1 7 . 2 ALA HA H 4.408 0.01 1 8 . 2 ALA C C 177.320 0.01 1 9 . 2 ALA CB C 18.259 0.01 1 10 . 3 VAL H H 7.803 0.01 1 11 . 3 VAL N N 116.292 0.01 1 12 . 3 VAL CA C 61.922 0.01 1 13 . 3 VAL HA H 4.135 0.01 1 14 . 3 VAL C C 176.322 0.01 1 15 . 3 VAL CB C 32.089 0.01 1 16 . 4 GLY H H 8.245 0.01 1 17 . 4 GLY N N 110.332 0.01 1 18 . 4 GLY CA C 45.521 0.01 1 19 . 4 GLY HA3 H 4.097 0.01 2 20 . 4 GLY C C 175.451 0.01 1 21 . 4 GLY HA2 H 4.038 0.01 2 22 . 5 ILE H H 8.015 0.01 1 23 . 5 ILE N N 120.517 0.01 1 24 . 5 ILE CA C 62.952 0.01 1 25 . 5 ILE HA H 3.936 0.01 1 26 . 5 ILE C C 177.059 0.01 1 27 . 5 ILE CB C 37.030 0.01 1 28 . 6 GLY H H 8.494 0.01 1 29 . 6 GLY N N 108.814 0.01 1 30 . 6 GLY CA C 47.267 0.01 1 31 . 6 GLY HA3 H 3.953 0.01 2 32 . 6 GLY C C 174.924 0.01 1 33 . 6 GLY HA2 H 3.758 0.01 2 34 . 7 ALA H H 7.858 0.01 1 35 . 7 ALA N N 122.321 0.01 1 36 . 7 ALA CA C 54.374 0.01 1 37 . 7 ALA HA H 4.124 0.01 1 38 . 7 ALA C C 181.229 0.01 1 39 . 7 ALA CB C 17.467 0.01 1 40 . 8 LEU H H 7.894 0.01 1 41 . 8 LEU N N 119.852 0.01 1 42 . 8 LEU CA C 57.254 0.01 1 43 . 8 LEU HA H 4.129 0.01 1 44 . 8 LEU C C 179.276 0.01 1 45 . 8 LEU CB C 41.014 0.01 1 46 . 9 PHE H H 8.321 0.01 1 47 . 9 PHE N N 118.961 0.01 1 48 . 9 PHE CA C 60.597 0.01 1 49 . 9 PHE HA H 4.362 0.01 1 50 . 9 PHE C C 177.364 0.01 1 51 . 9 PHE CB C 38.619 0.01 1 52 . 10 LEU H H 8.520 0.01 1 53 . 10 LEU N N 118.128 0.01 1 54 . 10 LEU CA C 57.545 0.01 1 55 . 10 LEU HA H 4.002 0.01 1 56 . 10 LEU C C 180.452 0.01 1 57 . 10 LEU CB C 40.317 0.01 1 58 . 11 GLY H H 8.152 0.01 1 59 . 11 GLY N N 107.337 0.01 1 60 . 11 GLY CA C 46.330 0.01 1 61 . 11 GLY HA3 H 3.924 0.01 2 62 . 11 GLY C C 176.476 0.01 1 63 . 11 GLY HA2 H 3.886 0.01 2 64 . 12 PHE H H 8.010 0.01 1 65 . 12 PHE N N 122.887 0.01 1 66 . 12 PHE CA C 59.964 0.01 1 67 . 12 PHE HA H 4.454 0.01 1 68 . 12 PHE C C 177.294 0.01 1 69 . 12 PHE CB C 38.477 0.01 1 70 . 13 LEU H H 8.163 0.01 1 71 . 13 LEU N N 118.931 0.01 1 72 . 13 LEU CA C 56.958 0.01 1 73 . 13 LEU HA H 3.869 0.01 1 74 . 13 LEU C C 179.148 0.01 1 75 . 13 LEU CB C 40.738 0.01 1 76 . 14 GLY H H 8.122 0.01 1 77 . 14 GLY N N 105.416 0.01 1 78 . 14 GLY CA C 46.122 0.01 1 79 . 14 GLY C C 175.794 0.01 1 80 . 14 GLY HA2 H 3.897 0.01 2 81 . 15 ALA H H 7.813 0.01 1 82 . 15 ALA N N 124.130 0.01 1 83 . 15 ALA CA C 53.241 0.01 1 84 . 15 ALA HA H 4.305 0.01 1 85 . 15 ALA C C 179.265 0.01 1 86 . 15 ALA CB C 17.991 0.01 1 87 . 16 ALA H H 8.186 0.01 1 88 . 16 ALA N N 121.774 0.01 1 89 . 16 ALA CA C 53.665 0.01 1 90 . 16 ALA HA H 4.115 0.01 1 91 . 16 ALA C C 179.144 0.01 1 92 . 16 ALA CB C 17.644 0.01 1 93 . 17 GLY H H 8.355 0.01 1 94 . 17 GLY N N 105.730 0.01 1 95 . 17 GLY CA C 46.140 0.01 1 96 . 17 GLY HA3 H 3.956 0.01 2 97 . 17 GLY C C 175.454 0.01 1 98 . 17 GLY HA2 H 3.856 0.01 2 99 . 18 SER H H 7.994 0.01 1 100 . 18 SER N N 115.200 0.01 1 101 . 18 SER CA C 59.597 0.01 1 102 . 18 SER HA H 4.433 0.01 1 103 . 18 SER C C 175.969 0.01 1 104 . 18 SER CB C 63.366 0.01 1 105 . 19 THR H H 8.014 0.01 1 106 . 19 THR N N 115.913 0.01 1 107 . 19 THR CA C 63.385 0.01 1 108 . 19 THR HA H 4.275 0.01 1 109 . 19 THR C C 175.459 0.01 1 110 . 19 THR CB C 68.909 0.01 1 111 . 20 MET H H 8.155 0.01 1 112 . 20 MET N N 120.431 0.01 1 113 . 20 MET CA C 56.458 0.01 1 114 . 20 MET HA H 4.395 0.01 1 115 . 20 MET C C 177.194 0.01 1 116 . 20 MET CB C 31.981 0.01 1 117 . 21 GLY H H 8.215 0.01 1 118 . 21 GLY N N 108.005 0.01 1 119 . 21 GLY CA C 45.662 0.01 1 120 . 21 GLY HA3 H 3.988 0.01 2 121 . 21 GLY C C 174.894 0.01 1 122 . 21 GLY HA2 H 3.942 0.01 2 123 . 22 ALA H H 7.996 0.01 1 124 . 22 ALA N N 123.097 0.01 1 125 . 22 ALA CA C 52.970 0.01 1 126 . 22 ALA HA H 4.290 0.01 1 127 . 22 ALA C C 178.345 0.01 1 128 . 22 ALA CB C 18.236 0.01 1 129 . 23 ALA H H 8.094 0.01 1 130 . 23 ALA N N 120.976 0.01 1 131 . 23 ALA CA C 52.951 0.01 1 132 . 23 ALA HA H 4.288 0.01 1 133 . 23 ALA C C 178.229 0.01 1 134 . 23 ALA CB C 18.129 0.01 1 135 . 24 SER H H 8.082 0.01 1 136 . 24 SER N N 113.138 0.01 1 137 . 24 SER CA C 58.832 0.01 1 138 . 24 SER HA H 4.375 0.01 1 139 . 24 SER C C 174.938 0.01 1 140 . 24 SER CB C 63.425 0.01 1 141 . 25 MET H H 8.017 0.01 1 142 . 25 MET N N 121.011 0.01 1 143 . 25 MET CA C 55.836 0.01 1 144 . 25 MET HA H 4.500 0.01 1 145 . 25 MET C C 176.217 0.01 1 146 . 25 MET CB C 32.229 0.01 1 147 . 26 THR H H 8.050 0.01 1 148 . 26 THR N N 114.237 0.01 1 149 . 26 THR CA C 61.941 0.01 1 150 . 26 THR HA H 4.335 0.01 1 151 . 26 THR C C 174.454 0.01 1 152 . 26 THR CB C 69.373 0.01 1 153 . 27 LEU H H 8.042 0.01 1 154 . 27 LEU N N 123.240 0.01 1 155 . 27 LEU CA C 55.082 0.01 1 156 . 27 LEU HA H 4.413 0.01 1 157 . 27 LEU C C 177.147 0.01 1 158 . 27 LEU CB C 41.522 0.01 1 159 . 28 THR H H 8.018 0.01 1 160 . 28 THR N N 114.224 0.01 1 161 . 28 THR CA C 61.531 0.01 1 162 . 28 THR HA H 4.367 0.01 1 163 . 28 THR C C 174.483 0.01 1 164 . 28 THR CB C 69.461 0.01 1 165 . 29 VAL H H 8.003 0.01 1 166 . 29 VAL N N 121.688 0.01 1 167 . 29 VAL CA C 62.031 0.01 1 168 . 29 VAL HA H 4.123 0.01 1 169 . 29 VAL C C 176.087 0.01 1 170 . 29 VAL CB C 31.831 0.01 1 171 . 30 GLN H H 8.332 0.01 1 172 . 30 GLN N N 123.233 0.01 1 173 . 30 GLN CA C 55.351 0.01 1 174 . 30 GLN HA H 4.311 0.01 1 175 . 30 GLN C C 175.681 0.01 1 176 . 30 GLN CB C 28.649 0.01 1 177 . 31 ALA H H 8.242 0.01 1 178 . 31 ALA N N 125.146 0.01 1 179 . 31 ALA CA C 52.132 0.01 1 180 . 31 ALA HA H 4.262 0.01 1 181 . 31 ALA C C 177.245 0.01 1 182 . 31 ALA CB C 18.607 0.01 1 183 . 32 ASP H H 8.242 0.01 1 184 . 32 ASP N N 119.349 0.01 1 185 . 32 ASP CA C 53.780 0.01 1 186 . 32 ASP HA H 4.564 0.01 1 187 . 32 ASP C C 175.823 0.01 1 188 . 32 ASP CB C 40.526 0.01 1 189 . 33 TYR H H 8.038 0.01 1 190 . 33 TYR N N 120.690 0.01 1 191 . 33 TYR CA C 57.737 0.01 1 192 . 33 TYR HA H 4.504 0.01 1 193 . 33 TYR C C 175.530 0.01 1 194 . 33 TYR CB C 38.178 0.01 1 195 . 34 LYS H H 8.027 0.01 1 196 . 34 LYS N N 123.475 0.01 1 197 . 34 LYS CA C 55.394 0.01 1 198 . 34 LYS HA H 4.281 0.01 1 199 . 34 LYS C C 175.733 0.01 1 200 . 34 LYS CB C 32.560 0.01 1 201 . 35 ASP H H 8.281 0.01 1 202 . 35 ASP N N 121.909 0.01 1 203 . 35 ASP CA C 53.904 0.01 1 204 . 35 ASP HA H 4.560 0.01 1 205 . 35 ASP C C 176.055 0.01 1 206 . 35 ASP CB C 40.791 0.01 1 207 . 36 ASP H H 8.306 0.01 1 208 . 36 ASP N N 120.771 0.01 1 209 . 36 ASP CA C 54.119 0.01 1 210 . 36 ASP HA H 4.581 0.01 1 211 . 36 ASP C C 176.181 0.01 1 212 . 36 ASP CB C 40.637 0.01 1 213 . 37 ASP H H 8.325 0.01 1 214 . 37 ASP N N 120.319 0.01 1 215 . 37 ASP CA C 54.296 0.01 1 216 . 37 ASP HA H 4.591 0.01 1 217 . 37 ASP C C 176.065 0.01 1 218 . 37 ASP CB C 40.637 0.01 1 219 . 38 ASP H H 8.297 0.01 1 220 . 38 ASP N N 120.557 0.01 1 221 . 38 ASP CA C 53.947 0.01 1 222 . 38 ASP HA H 4.628 0.01 1 223 . 38 ASP C C 175.234 0.01 1 224 . 38 ASP CB C 40.309 0.01 1 225 . 39 LYS H H 7.713 0.01 1 226 . 39 LYS N N 126.019 0.01 1 227 . 39 LYS CA C 57.197 0.01 1 228 . 39 LYS HA H 4.142 0.01 1 229 . 39 LYS CB C 32.752 0.01 1 stop_ save_