data_19514 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HIV-1 gp41 clade C Membrane Proximal External Region peptide in DPC micelle ; _BMRB_accession_number 19514 _BMRB_flat_file_name bmr19514.str _Entry_type original _Submission_date 2013-09-20 _Accession_date 2013-09-20 _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 Sun Zhenyu J. . 2 Wagner Gerhard . . 3 Reinherz Ellis L. . 4 Kim Mikyung . . 5 Song Likai . . 6 Choi Jaewon . . 7 Cheng Yuxing . . 8 Chowdhury Barnali . . 9 Bellot Gaetan . . 10 Shih William . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 192 "13C chemical shifts" 112 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-24 update BMRB 'update entry citation' 2013-10-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15605 MPER 19512 MPER-HxB2-AA 19513 MPER-Con089 19515 MPER-PB7 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Disruption of helix-capping residues 671 and 674 reveals a role in HIV-1 entry for a specialized hinge segment of the membrane proximal external region of gp41.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24075869 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sun Zhen-Yu J. . 2 Cheng Yuxing . . 3 Kim Mikyung . . 4 Song Likai . . 5 Choi Jaewon . . 6 Kudahl Ulrich J. . 7 Brusic Vladimir . . 8 Chowdhury Barnali . . 9 Yu Lu . . 10 Seaman Michael S. . 11 Bellot Gaetan . . 12 Shih William M. . 13 Wagner Gerhard . . 14 Reinherz Ellis L. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 426 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1095 _Page_last 1108 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MPER-Du151 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MPER-Du151 $MPER-Du151 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MPER-Du151 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MPER-Du151 _Molecular_mass 3514.057 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; EKDLLALDSWKNLWNWFNIT NWLWYIK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 657 GLU 2 658 LYS 3 659 ASP 4 660 LEU 5 661 LEU 6 662 ALA 7 663 LEU 8 664 ASP 9 665 SER 10 666 TRP 11 667 LYS 12 668 ASN 13 669 LEU 14 670 TRP 15 671 ASN 16 672 TRP 17 673 PHE 18 674 ASN 19 675 ILE 20 676 THR 21 677 ASN 22 678 TRP 23 679 LEU 24 680 TRP 25 681 TYR 26 682 ILE 27 683 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2ME3 "Hiv-1 Gp41 Clade C Membrane Proximal External Region Peptide In Dpc Micelle" 100.00 27 100.00 100.00 3.35e-08 DBJ BAC77500 "Env glycoprotein [Human immunodeficiency virus 1]" 100.00 865 100.00 100.00 7.89e-09 GB AAF82013 "envelope glycoprotein [Human immunodeficiency virus 1]" 96.30 122 100.00 100.00 6.42e-08 GB AAL66552 "envelope glycoprotein [Human immunodeficiency virus 1]" 100.00 133 100.00 100.00 1.54e-08 GB AAL66596 "envelope glycoprotein [Human immunodeficiency virus 1]" 100.00 133 100.00 100.00 1.31e-08 GB AAL66597 "envelope glycoprotein [Human immunodeficiency virus 1]" 100.00 133 100.00 100.00 1.31e-08 GB AAO50446 "envelope glycoprotein [Human immunodeficiency virus 1]" 100.00 844 100.00 100.00 1.97e-08 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $MPER-Du151 'Human immunodeficiency virus 1' 00.061.1.06.009.05.003.013. 388796 Viruses . Lentivirus 'Human immunodeficiency virus 1' env Du151.2 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $MPER-Du151 'recombinant technology' . Escherichia coli BL21 DE3 pET31 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N/13C-labeled MPER-Du151' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MPER-Du151 1 mM '[U-100% 13C; U-100% 15N]' DPC 100 mM '[U-100% 2H]' H2O 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N-labeled MPER-Du151' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MPER-Du151 1 mM '[U-100% 15N]' DPC 100 mM '[U-100% 2H]' H2O 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'unlabeled MPER-Du151' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MPER-Du151 1 mM 'natural abundance' DPC 100 mM '[U-100% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '15N/13C-labeled MPER-Du151 for RDC' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MPER-Du151 1 mM '[U-100% 13C; U-100% 15N]' DPC 100 mM '[U-100% 2H]' 'DNA nanotube' 20 mg/mL 'natural abundance' H2O 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 9 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version + loop_ _Vendor _Address _Electronic_address '(TALOS+) Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0c loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.28 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_backbone_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D backbone' _Sample_label $sample_1 save_ save_3D_C(CO)NH,H(CCO)NH,HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH,H(CCO)NH,HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY,TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY,TOCSY' _Sample_label $sample_3 save_ save_Q-J_RDC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'Q-J RDC' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 0.1 pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D backbone' '3D C(CO)NH,H(CCO)NH,HCCH-TOCSY' '2D 1H-1H NOESY,TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MPER-Du151 _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 1 657 1 GLU HA H 3.993 0.000 1 2 657 1 GLU HB2 H 2.084 0.000 2 3 657 1 GLU HB3 H 2.015 0.000 2 4 657 1 GLU HG2 H 2.368 0.000 1 5 657 1 GLU HG3 H 2.368 0.000 1 6 657 1 GLU CA C 56.000 0.000 1 7 657 1 GLU CB C 30.687 0.000 1 8 657 1 GLU CG C 36.095 0.000 1 9 658 2 LYS HA H 4.273 0.000 1 10 658 2 LYS HB2 H 1.785 0.000 1 11 658 2 LYS HB3 H 1.785 0.000 1 12 658 2 LYS HG2 H 1.411 0.000 1 13 658 2 LYS HG3 H 1.411 0.000 1 14 658 2 LYS HD2 H 1.665 0.000 1 15 658 2 LYS HD3 H 1.665 0.000 1 16 658 2 LYS HE2 H 2.963 0.000 1 17 658 2 LYS HE3 H 2.963 0.000 1 18 658 2 LYS C C 175.560 0.000 1 19 658 2 LYS CA C 56.733 0.000 1 20 658 2 LYS CB C 32.982 0.000 1 21 658 2 LYS CG C 24.613 0.000 1 22 658 2 LYS CD C 28.943 0.000 1 23 658 2 LYS CE C 42.148 0.000 1 24 659 3 ASP H H 8.329 0.000 1 25 659 3 ASP HA H 4.586 0.000 1 26 659 3 ASP HB2 H 2.727 0.000 2 27 659 3 ASP HB3 H 2.562 0.000 2 28 659 3 ASP C C 176.458 0.000 1 29 659 3 ASP CA C 54.219 0.000 1 30 659 3 ASP CB C 41.324 0.000 1 31 659 3 ASP N N 121.529 0.000 1 32 660 4 LEU H H 8.490 0.000 1 33 660 4 LEU HA H 4.194 0.000 1 34 660 4 LEU HB2 H 1.699 0.000 2 35 660 4 LEU HB3 H 1.606 0.000 2 36 660 4 LEU HG H 1.704 0.000 1 37 660 4 LEU HD1 H 0.924 0.000 2 38 660 4 LEU HD2 H 0.840 0.000 2 39 660 4 LEU C C 177.101 0.000 1 40 660 4 LEU CA C 56.564 0.000 1 41 660 4 LEU CB C 42.489 0.000 1 42 660 4 LEU CG C 27.181 0.000 1 43 660 4 LEU CD1 C 25.195 0.000 1 44 660 4 LEU CD2 C 23.964 0.000 1 45 660 4 LEU N N 123.060 0.000 1 46 661 5 LEU H H 8.114 0.000 1 47 661 5 LEU HA H 4.349 0.000 1 48 661 5 LEU HB2 H 1.698 0.000 2 49 661 5 LEU HB3 H 1.608 0.000 2 50 661 5 LEU HG H 1.619 0.000 1 51 661 5 LEU HD1 H 0.894 0.000 2 52 661 5 LEU HD2 H 0.827 0.000 2 53 661 5 LEU C C 176.328 0.000 1 54 661 5 LEU CA C 54.819 0.000 1 55 661 5 LEU CB C 41.778 0.000 1 56 661 5 LEU CG C 27.279 0.000 1 57 661 5 LEU CD1 C 25.232 0.000 1 58 661 5 LEU CD2 C 23.831 0.000 1 59 661 5 LEU N N 118.573 0.000 1 60 662 6 ALA H H 7.849 0.000 1 61 662 6 ALA HA H 4.405 0.000 1 62 662 6 ALA HB H 1.421 0.000 1 63 662 6 ALA C C 177.949 0.000 1 64 662 6 ALA CA C 52.137 0.000 1 65 662 6 ALA CB C 19.423 0.000 1 66 662 6 ALA N N 122.836 0.000 1 67 663 7 LEU H H 8.302 0.000 1 68 663 7 LEU HA H 4.185 0.000 1 69 663 7 LEU HB2 H 1.703 0.000 2 70 663 7 LEU HB3 H 1.632 0.000 2 71 663 7 LEU HG H 1.688 0.000 1 72 663 7 LEU HD1 H 0.888 0.000 2 73 663 7 LEU HD2 H 0.823 0.000 2 74 663 7 LEU C C 177.903 0.000 1 75 663 7 LEU CA C 56.657 0.000 1 76 663 7 LEU CB C 41.945 0.000 1 77 663 7 LEU CG C 27.107 0.000 1 78 663 7 LEU CD1 C 25.048 0.000 1 79 663 7 LEU CD2 C 23.920 0.000 1 80 663 7 LEU N N 121.289 0.000 1 81 664 8 ASP H H 8.437 0.000 1 82 664 8 ASP HA H 4.419 0.000 1 83 664 8 ASP HB2 H 2.653 0.000 1 84 664 8 ASP HB3 H 2.653 0.000 1 85 664 8 ASP C C 177.559 0.000 1 86 664 8 ASP CA C 56.307 0.000 1 87 664 8 ASP CB C 40.890 0.000 1 88 664 8 ASP N N 118.100 0.000 1 89 665 9 SER H H 7.894 0.000 1 90 665 9 SER HA H 4.348 0.000 1 91 665 9 SER HB2 H 3.896 0.000 2 92 665 9 SER HB3 H 3.724 0.000 2 93 665 9 SER C C 175.610 0.000 1 94 665 9 SER CA C 59.988 0.000 1 95 665 9 SER CB C 63.470 0.000 1 96 665 9 SER N N 113.890 0.000 1 97 666 10 TRP H H 8.038 0.000 1 98 666 10 TRP HA H 4.480 0.000 1 99 666 10 TRP HB2 H 3.397 0.000 2 100 666 10 TRP HB3 H 3.259 0.000 2 101 666 10 TRP HD1 H 7.391 0.000 1 102 666 10 TRP HE1 H 10.515 0.000 1 103 666 10 TRP HE3 H 7.474 0.000 1 104 666 10 TRP HZ2 H 7.397 0.000 1 105 666 10 TRP HZ3 H 6.897 0.000 1 106 666 10 TRP HH2 H 7.022 0.000 1 107 666 10 TRP C C 177.235 0.000 1 108 666 10 TRP CA C 59.020 0.000 1 109 666 10 TRP CB C 29.438 0.000 1 110 666 10 TRP N N 122.515 0.000 1 111 666 10 TRP NE1 N 129.734 0.000 1 112 667 11 LYS H H 7.882 0.000 1 113 667 11 LYS HA H 3.917 0.000 1 114 667 11 LYS HB2 H 1.809 0.000 1 115 667 11 LYS HB3 H 1.809 0.000 1 116 667 11 LYS HG2 H 1.348 0.000 2 117 667 11 LYS HG3 H 1.260 0.000 2 118 667 11 LYS HD2 H 1.673 0.000 1 119 667 11 LYS HD3 H 1.673 0.000 1 120 667 11 LYS HE2 H 2.953 0.000 1 121 667 11 LYS HE3 H 2.953 0.000 1 122 667 11 LYS C C 177.985 0.000 1 123 667 11 LYS CA C 59.486 0.000 1 124 667 11 LYS CB C 32.300 0.000 1 125 667 11 LYS CG C 25.065 0.000 1 126 667 11 LYS CD C 29.391 0.000 1 127 667 11 LYS CE C 42.150 0.000 1 128 667 11 LYS N N 118.444 0.000 1 129 668 12 ASN H H 8.045 0.000 1 130 668 12 ASN HA H 4.628 0.000 1 131 668 12 ASN HB2 H 2.805 0.000 1 132 668 12 ASN HB3 H 2.805 0.000 1 133 668 12 ASN HD21 H 7.737 0.000 2 134 668 12 ASN HD22 H 6.940 0.000 2 135 668 12 ASN C C 177.013 0.000 1 136 668 12 ASN CA C 55.039 0.000 1 137 668 12 ASN CB C 38.297 0.000 1 138 668 12 ASN N N 116.413 0.000 1 139 668 12 ASN ND2 N 112.847 0.000 1 140 669 13 LEU H H 7.804 0.000 1 141 669 13 LEU HA H 4.024 0.000 1 142 669 13 LEU HB2 H 1.748 0.000 2 143 669 13 LEU HB3 H 1.628 0.000 2 144 669 13 LEU HG H 1.597 0.000 1 145 669 13 LEU HD1 H 0.826 0.000 2 146 669 13 LEU HD2 H 0.756 0.000 2 147 669 13 LEU C C 177.559 0.000 1 148 669 13 LEU CA C 57.941 0.000 1 149 669 13 LEU CB C 42.156 0.000 1 150 669 13 LEU CG C 27.221 0.000 1 151 669 13 LEU CD1 C 25.091 0.000 1 152 669 13 LEU CD2 C 24.721 0.000 1 153 669 13 LEU N N 120.829 0.000 1 154 670 14 TRP H H 7.887 0.000 1 155 670 14 TRP HA H 4.544 0.000 1 156 670 14 TRP HB2 H 3.415 0.000 2 157 670 14 TRP HB3 H 3.259 0.000 2 158 670 14 TRP HD1 H 7.232 0.000 1 159 670 14 TRP HE1 H 10.204 0.000 1 160 670 14 TRP HE3 H 7.545 0.000 1 161 670 14 TRP HZ2 H 7.433 0.000 1 162 670 14 TRP HZ3 H 6.926 0.000 1 163 670 14 TRP HH2 H 7.060 0.000 1 164 670 14 TRP C C 177.194 0.000 1 165 670 14 TRP CA C 59.003 0.000 1 166 670 14 TRP CB C 29.714 0.000 1 167 670 14 TRP N N 117.321 0.000 1 168 670 14 TRP NE1 N 129.257 0.000 1 169 671 15 ASN H H 7.968 0.000 1 170 671 15 ASN HA H 4.550 0.000 1 171 671 15 ASN HB2 H 2.833 0.000 1 172 671 15 ASN HB3 H 2.833 0.000 1 173 671 15 ASN HD21 H 7.588 0.000 2 174 671 15 ASN HD22 H 6.924 0.000 2 175 671 15 ASN C C 176.520 0.000 1 176 671 15 ASN CA C 55.017 0.000 1 177 671 15 ASN CB C 38.658 0.000 1 178 671 15 ASN N N 115.549 0.000 1 179 671 15 ASN ND2 N 112.197 0.000 1 180 672 16 TRP H H 8.013 0.000 1 181 672 16 TRP HA H 4.392 0.000 1 182 672 16 TRP HB2 H 3.280 0.000 1 183 672 16 TRP HB3 H 3.280 0.000 1 184 672 16 TRP HD1 H 7.185 0.000 1 185 672 16 TRP HE1 H 10.389 0.000 1 186 672 16 TRP HE3 H 7.337 0.000 1 187 672 16 TRP HZ2 H 7.438 0.000 1 188 672 16 TRP HZ3 H 6.903 0.000 1 189 672 16 TRP HH2 H 7.062 0.000 1 190 672 16 TRP C C 176.592 0.000 1 191 672 16 TRP CA C 59.356 0.000 1 192 672 16 TRP CB C 29.446 0.000 1 193 672 16 TRP N N 120.350 0.000 1 194 672 16 TRP NE1 N 129.713 0.000 1 195 673 17 PHE H H 7.881 0.000 1 196 673 17 PHE HA H 4.259 0.000 1 197 673 17 PHE HB2 H 3.061 0.000 2 198 673 17 PHE HB3 H 2.917 0.000 2 199 673 17 PHE HD1 H 7.194 0.000 1 200 673 17 PHE HD2 H 7.194 0.000 1 201 673 17 PHE HE1 H 7.171 0.000 1 202 673 17 PHE HE2 H 7.171 0.000 1 203 673 17 PHE C C 175.068 0.000 1 204 673 17 PHE CA C 58.863 0.000 1 205 673 17 PHE CB C 39.298 0.000 1 206 673 17 PHE N N 117.559 0.000 1 207 674 18 ASN H H 7.750 0.000 1 208 674 18 ASN HA H 4.569 0.000 1 209 674 18 ASN HB2 H 2.826 0.000 2 210 674 18 ASN HB3 H 2.576 0.000 2 211 674 18 ASN HD21 H 7.497 0.000 2 212 674 18 ASN HD22 H 6.575 0.000 2 213 674 18 ASN C C 175.956 0.000 1 214 674 18 ASN CA C 53.378 0.000 1 215 674 18 ASN CB C 38.420 0.000 1 216 674 18 ASN N N 118.329 0.000 1 217 674 18 ASN ND2 N 111.393 0.000 1 218 675 19 ILE H H 8.015 0.000 1 219 675 19 ILE HA H 3.727 0.000 1 220 675 19 ILE HB H 1.682 0.000 1 221 675 19 ILE HG12 H 1.384 0.000 2 222 675 19 ILE HG13 H 1.139 0.000 2 223 675 19 ILE HG2 H 0.779 0.000 1 224 675 19 ILE HD1 H 0.779 0.000 1 225 675 19 ILE C C 176.638 0.000 1 226 675 19 ILE CA C 63.104 0.000 1 227 675 19 ILE CB C 38.280 0.000 1 228 675 19 ILE CG1 C 28.339 0.000 1 229 675 19 ILE CG2 C 17.843 0.000 1 230 675 19 ILE CD1 C 13.691 0.000 1 231 675 19 ILE N N 119.444 0.000 1 232 676 20 THR H H 7.889 0.000 1 233 676 20 THR HA H 3.913 0.000 1 234 676 20 THR HB H 4.026 0.000 1 235 676 20 THR HG2 H 1.080 0.000 1 236 676 20 THR C C 175.587 0.000 1 237 676 20 THR CA C 65.121 0.000 1 238 676 20 THR CB C 68.794 0.000 1 239 676 20 THR CG2 C 22.009 0.000 1 240 676 20 THR N N 114.109 0.000 1 241 677 21 ASN H H 7.862 0.000 1 242 677 21 ASN HA H 4.580 0.000 1 243 677 21 ASN HB2 H 2.664 0.000 1 244 677 21 ASN HB3 H 2.664 0.000 1 245 677 21 ASN HD21 H 7.496 0.000 2 246 677 21 ASN HD22 H 6.742 0.000 2 247 677 21 ASN C C 176.077 0.000 1 248 677 21 ASN CA C 54.605 0.000 1 249 677 21 ASN CB C 38.308 0.000 1 250 677 21 ASN N N 118.858 0.000 1 251 677 21 ASN ND2 N 111.840 0.000 1 252 678 22 TRP H H 7.795 0.000 1 253 678 22 TRP HA H 4.617 0.000 1 254 678 22 TRP HB2 H 3.349 0.000 2 255 678 22 TRP HB3 H 3.250 0.000 2 256 678 22 TRP HD1 H 7.200 0.000 1 257 678 22 TRP HE1 H 10.267 0.000 1 258 678 22 TRP HE3 H 7.430 0.000 1 259 678 22 TRP HZ2 H 7.353 0.000 1 260 678 22 TRP HZ3 H 6.908 0.000 1 261 678 22 TRP HH2 H 7.008 0.000 1 262 678 22 TRP C C 176.898 0.000 1 263 678 22 TRP CA C 58.582 0.000 1 264 678 22 TRP CB C 29.597 0.000 1 265 678 22 TRP N N 119.189 0.000 1 266 678 22 TRP NE1 N 129.259 0.000 1 267 679 23 LEU H H 7.753 0.000 1 268 679 23 LEU HA H 4.023 0.000 1 269 679 23 LEU HB2 H 1.591 0.000 2 270 679 23 LEU HB3 H 1.375 0.000 2 271 679 23 LEU HG H 1.630 0.000 1 272 679 23 LEU HD1 H 0.856 0.000 2 273 679 23 LEU HD2 H 0.762 0.000 2 274 679 23 LEU C C 177.463 0.000 1 275 679 23 LEU CA C 56.776 0.000 1 276 679 23 LEU CB C 41.775 0.000 1 277 679 23 LEU CG C 26.985 0.000 1 278 679 23 LEU CD1 C 25.254 0.000 1 279 679 23 LEU CD2 C 23.678 0.000 1 280 679 23 LEU N N 117.805 0.000 1 281 680 24 TRP H H 7.542 0.000 1 282 680 24 TRP HA H 4.332 0.000 1 283 680 24 TRP HB2 H 3.247 0.000 2 284 680 24 TRP HB3 H 3.147 0.000 2 285 680 24 TRP HD1 H 7.081 0.000 1 286 680 24 TRP HE1 H 10.178 0.000 1 287 680 24 TRP HE3 H 7.281 0.000 1 288 680 24 TRP HZ2 H 7.445 0.000 1 289 680 24 TRP HZ3 H 7.020 0.000 1 290 680 24 TRP HH2 H 7.165 0.000 1 291 680 24 TRP C C 176.369 0.000 1 292 680 24 TRP CA C 58.967 0.000 1 293 680 24 TRP CB C 29.189 0.000 1 294 680 24 TRP N N 117.351 0.000 1 295 680 24 TRP NE1 N 129.714 0.000 1 296 681 25 TYR H H 7.453 0.000 1 297 681 25 TYR HA H 4.135 0.000 1 298 681 25 TYR HB2 H 2.984 0.000 2 299 681 25 TYR HB3 H 2.871 0.000 2 300 681 25 TYR HD1 H 7.105 0.000 1 301 681 25 TYR HD2 H 7.105 0.000 1 302 681 25 TYR HE1 H 6.818 0.000 1 303 681 25 TYR HE2 H 6.818 0.000 1 304 681 25 TYR C C 175.623 0.000 1 305 681 25 TYR CA C 59.749 0.000 1 306 681 25 TYR CB C 39.096 0.000 1 307 681 25 TYR N N 116.232 0.000 1 308 682 26 ILE H H 7.477 0.000 1 309 682 26 ILE HA H 4.185 0.000 1 310 682 26 ILE HB H 2.001 0.000 1 311 682 26 ILE HG12 H 1.470 0.000 2 312 682 26 ILE HG13 H 1.231 0.000 2 313 682 26 ILE HG2 H 0.906 0.000 1 314 682 26 ILE HD1 H 0.871 0.000 1 315 682 26 ILE C C 174.299 0.000 1 316 682 26 ILE CA C 61.161 0.000 1 317 682 26 ILE CB C 38.786 0.000 1 318 682 26 ILE CG1 C 27.301 0.000 1 319 682 26 ILE CG2 C 18.217 0.000 1 320 682 26 ILE CD1 C 13.806 0.000 1 321 682 26 ILE N N 115.034 0.000 1 322 683 27 LYS H H 7.379 0.000 1 323 683 27 LYS HA H 4.092 0.000 1 324 683 27 LYS HB2 H 1.754 0.000 2 325 683 27 LYS HB3 H 1.678 0.000 2 326 683 27 LYS HG2 H 1.373 0.000 1 327 683 27 LYS HG3 H 1.373 0.000 1 328 683 27 LYS HD2 H 1.622 0.000 1 329 683 27 LYS HD3 H 1.622 0.000 1 330 683 27 LYS HE2 H 2.893 0.000 1 331 683 27 LYS HE3 H 2.893 0.000 1 332 683 27 LYS C C 180.708 0.000 1 333 683 27 LYS CA C 57.824 0.000 1 334 683 27 LYS CB C 33.843 0.000 1 335 683 27 LYS CG C 24.757 0.000 1 336 683 27 LYS CD C 29.300 0.000 1 337 683 27 LYS CE C 42.120 0.000 1 338 683 27 LYS N N 127.019 0.000 1 stop_ save_