data_19581 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment and structure of a peptide derived from the trans-membrane region of HIV-1 gp41 in the presence of hexafluoroisopropanol ; _BMRB_accession_number 19581 _BMRB_flat_file_name bmr19581.str _Entry_type original _Submission_date 2013-10-24 _Accession_date 2013-10-24 _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 Serrano Soraya . . 2 Apellaniz Beatriz . . 3 Huarte Nerea L. . 4 Nieva Jose L. . 5 Jimenez 'M. Angeles' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 179 "13C chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-23 original author . stop_ _Original_release_date 2015-03-23 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Atomic Structure of the HIV-1 gp41 Transmembrane Domain and its Connection to the Inmmunogenic Membrane-proximal External Region' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serrano Soraya . . 2 Apellaniz Beatriz . . 3 Huarte Nerea . . 4 Jimenez 'M. Angeles' . . 5 Nieva Jose L. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'peptide derived from the trans-membrane region of HIV-1 gp41' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'peptide derived from the trans-membrane region of HIV-1 gp41' $TMDp 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_TMDp _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TMDp _Molecular_mass 3006.957 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; KKKLFIMIVGGLVGLRIVFA VLSIKKK ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 LYS 3 LYS 4 LEU 5 PHE 6 ILE 7 MET 8 ILE 9 VAL 10 GLY 11 GLY 12 LEU 13 VAL 14 GLY 15 LEU 16 ARG 17 ILE 18 VAL 19 PHE 20 ALA 21 VAL 22 LEU 23 SER 24 ILE 25 LYS 26 LYS 27 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-23 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 2MG1 "Nmr Assignment And Structure Of A Peptide Derived From The Trans- Membrane Region Of Hiv-1 Gp41 In The Presence Of Hexafluorois" 100.00 27 100.00 100.00 3.27e-06 DBJ BAD66665 "envelope protein [Simian-Human immunodeficiency virus]" 81.48 854 100.00 100.00 6.58e-04 DBJ BAF34648 "envelope polyprotein [HIV-1 vector pNL-DT5R]" 81.48 854 100.00 100.00 6.58e-04 DBJ BAK48604 "envelop protein [Human immunodeficiency virus]" 81.48 872 100.00 100.00 6.61e-04 EMBL CAD10141 "gp160 [Human immunodeficiency virus 1]" 81.48 861 100.00 100.00 6.59e-04 GB AAA44661 "envelope protein precursor [Human immunodeficiency virus 1]" 81.48 851 100.00 100.00 6.57e-04 GB AAA44992 "envelope polyprotein [Human immunodeficiency virus 1]" 81.48 854 100.00 100.00 6.58e-04 GB AAB50262 "envelope polyprotein [Human immunodeficiency virus 1]" 81.48 856 100.00 100.00 6.58e-04 GB AAB59873 "envelope polyprotein [Human immunodeficiency virus 1]" 81.48 856 100.00 100.00 6.58e-04 GB AAB60578 "ENV polyprotein precursor [Human immunodeficiency virus 1]" 81.48 854 100.00 100.00 6.58e-04 PRF 1103299B "env gene" 81.48 856 100.00 100.00 6.58e-04 REF NP_057856 "Envelope surface glycoprotein gp160, precursor [Human immunodeficiency virus 1]" 81.48 856 100.00 100.00 6.58e-04 REF NP_579895 "Envelope transmembrane glycoprotein gp41 [Human immunodeficiency virus 1]" 81.48 345 100.00 100.00 4.43e-04 SP P04578 "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" 81.48 856 100.00 100.00 6.58e-04 SP P04582 "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" 81.48 851 100.00 100.00 6.57e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TMDp HIV 12721 Viruses . Lentivirus 'Human immunodeficiency virus' 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 $TMDp 'chemical synthesis' . . . . . 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 $TMDp 0.5 mM 'natural abundance' H2O 67.5 % 'natural abundance' D2O 7.5 % '[U-100% 2H]' hexafluoroisopropanol 25 % 'natural abundance' HEPES 2 mM 'natural abundance' DSS 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 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 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _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' 2 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'peptide derived from the trans-membrane region of HIV-1 gp41' _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 1 LYS HA H 3.60 0.01 1 2 1 1 LYS HB2 H 1.67 0.01 2 3 1 1 LYS HB3 H 1.94 0.01 2 4 1 1 LYS HG2 H 1.53 0.01 2 5 1 1 LYS HG3 H 1.58 0.01 2 6 1 1 LYS HD2 H 1.76 0.01 2 7 1 1 LYS HD3 H 1.76 0.01 2 8 1 1 LYS HE2 H 3.06 0.01 2 9 1 1 LYS HE3 H 3.06 0.01 2 10 1 1 LYS CA C 57.0 0.10 1 11 1 1 LYS CB C 35.9 0.10 1 12 1 1 LYS CG C 25.1 0.10 1 13 1 1 LYS CD C 29.4 0.10 1 14 1 1 LYS CE C 42.2 0.10 1 15 2 2 LYS HA H 4.21 0.01 1 16 2 2 LYS HB2 H 1.90 0.01 2 17 2 2 LYS HB3 H 1.90 0.01 2 18 2 2 LYS HD2 H 1.77 0.01 2 19 2 2 LYS HD3 H 1.77 0.01 2 20 2 2 LYS HE2 H 3.03 0.01 2 21 2 2 LYS HE3 H 3.03 0.01 2 22 2 2 LYS CA C 58.8 0.10 1 23 2 2 LYS CB C 33.1 0.10 1 24 3 3 LYS H H 8.17 0.01 1 25 3 3 LYS HA H 4.09 0.01 1 26 3 3 LYS HB2 H 1.82 0.01 2 27 3 3 LYS HB3 H 1.82 0.01 2 28 3 3 LYS HG2 H 1.49 0.01 2 29 3 3 LYS HG3 H 1.56 0.01 2 30 3 3 LYS HD2 H 1.76 0.01 2 31 3 3 LYS HD3 H 1.76 0.01 2 32 3 3 LYS HE2 H 3.03 0.01 2 33 3 3 LYS HE3 H 3.03 0.01 2 34 3 3 LYS CA C 59.1 0.10 1 35 3 3 LYS CB C 32.7 0.10 1 36 3 3 LYS CG C 25.3 0.10 1 37 3 3 LYS CE C 42.1 0.10 1 38 4 4 LEU H H 7.21 0.01 1 39 4 4 LEU HA H 4.29 0.01 1 40 4 4 LEU HB2 H 1.65 0.01 2 41 4 4 LEU HB3 H 1.75 0.01 2 42 4 4 LEU HG H 1.66 0.01 1 43 4 4 LEU HD1 H 0.99 0.01 2 44 4 4 LEU HD2 H 0.92 0.01 2 45 4 4 LEU CA C 57.4 0.10 1 46 4 4 LEU CB C 42.3 0.10 1 47 4 4 LEU CG C 27.1 0.10 1 48 4 4 LEU CD1 C 23.0 0.10 1 49 4 4 LEU CD2 C 24.3 0.10 1 50 5 5 PHE H H 7.67 0.01 1 51 5 5 PHE HA H 4.29 0.01 1 52 5 5 PHE HB2 H 3.20 0.01 2 53 5 5 PHE HB3 H 3.26 0.01 2 54 5 5 PHE HD1 H 7.18 0.01 3 55 5 5 PHE HD2 H 7.18 0.01 3 56 5 5 PHE HE1 H 7.28 0.01 3 57 5 5 PHE HE2 H 7.28 0.01 3 58 5 5 PHE HZ H 7.24 0.01 1 59 5 5 PHE CA C 61.3 0.10 1 60 5 5 PHE CB C 38.9 0.10 1 61 6 6 ILE H H 7.79 0.01 1 62 6 6 ILE HA H 3.72 0.01 1 63 6 6 ILE HB H 1.97 0.01 1 64 6 6 ILE HG12 H 1.34 0.01 2 65 6 6 ILE HG13 H 1.74 0.01 2 66 6 6 ILE HG2 H 0.97 0.01 1 67 6 6 ILE HD1 H 0.92 0.01 1 68 6 6 ILE CA C 64.4 0.10 1 69 6 6 ILE CB C 38.0 0.10 1 70 6 6 ILE CG1 C 28.5 0.10 1 71 6 6 ILE CG2 C 16.7 0.10 1 72 6 6 ILE CD1 C 12.1 0.10 1 73 7 7 MET H H 7.80 0.01 1 74 7 7 MET HA H 4.17 0.01 1 75 7 7 MET HB2 H 2.23 0.01 2 76 7 7 MET HB3 H 2.37 0.01 2 77 7 7 MET HG2 H 2.59 0.01 2 78 7 7 MET HG3 H 2.78 0.01 2 79 7 7 MET HE H 2.09 0.01 1 80 7 7 MET CA C 58.7 0.10 1 81 7 7 MET CB C 32.5 0.10 1 82 7 7 MET CG C 31.9 0.10 1 83 7 7 MET CE C 15.8 0.10 1 84 8 8 ILE H H 8.19 0.01 1 85 8 8 ILE HA H 3.83 0.01 1 86 8 8 ILE HB H 1.98 0.01 1 87 8 8 ILE HG12 H 1.15 0.01 2 88 8 8 ILE HG13 H 1.80 0.01 2 89 8 8 ILE HG2 H 0.91 0.01 1 90 8 8 ILE HD1 H 0.88 0.01 1 91 8 8 ILE CA C 65.1 0.10 1 92 8 8 ILE CB C 38.4 0.10 1 93 8 8 ILE CG1 C 28.5 0.10 1 94 8 8 ILE CG2 C 15.9 0.10 1 95 8 8 ILE CD1 C 12.1 0.10 1 96 9 9 VAL H H 8.35 0.01 1 97 9 9 VAL HA H 3.64 0.01 1 98 9 9 VAL HB H 1.89 0.01 1 99 9 9 VAL HG1 H 0.85 0.01 2 100 9 9 VAL HG2 H 0.77 0.01 2 101 9 9 VAL CA C 67.0 0.10 1 102 9 9 VAL CB C 31.5 0.10 1 103 9 9 VAL CG1 C 20.4 0.10 1 104 9 9 VAL CG2 C 21.8 0.10 1 105 10 10 GLY H H 8.37 0.01 1 106 10 10 GLY HA2 H 3.83 0.01 2 107 10 10 GLY HA3 H 3.90 0.01 2 108 10 10 GLY CA C 46.9 0.10 1 109 11 11 GLY H H 7.80 0.01 1 110 11 11 GLY HA2 H 3.94 0.01 2 111 11 11 GLY HA3 H 4.01 0.01 2 112 11 11 GLY CA C 46.3 0.10 1 113 12 12 LEU H H 8.07 0.01 1 114 12 12 LEU HA H 4.26 0.01 1 115 12 12 LEU HB2 H 1.59 0.01 2 116 12 12 LEU HB3 H 2.04 0.01 2 117 12 12 LEU HG H 1.87 0.01 1 118 12 12 LEU HD1 H 0.88 0.01 2 119 12 12 LEU HD2 H 0.91 0.01 2 120 12 12 LEU CA C 57.8 0.10 1 121 12 12 LEU CB C 42.1 0.10 1 122 12 12 LEU CG C 26.7 0.10 1 123 12 12 LEU CD1 C 22.0 0.10 1 124 12 12 LEU CD2 C 24.2 0.10 1 125 13 13 VAL H H 8.45 0.01 1 126 13 13 VAL HA H 3.70 0.01 1 127 13 13 VAL HB H 2.19 0.01 1 128 13 13 VAL HG1 H 0.99 0.01 2 129 13 13 VAL HG2 H 1.07 0.01 2 130 13 13 VAL CA C 66.7 0.10 1 131 13 13 VAL CB C 31.9 0.10 1 132 13 13 VAL CG1 C 20.4 0.10 1 133 13 13 VAL CG2 C 21.8 0.10 1 134 14 14 GLY H H 7.90 0.01 1 135 14 14 GLY HA2 H 3.88 0.01 2 136 14 14 GLY HA3 H 3.88 0.01 2 137 14 14 GLY CA C 47.0 0.10 1 138 15 15 LEU H H 7.80 0.01 1 139 15 15 LEU HA H 4.12 0.01 1 140 15 15 LEU HB2 H 1.63 0.01 2 141 15 15 LEU HB3 H 1.83 0.01 2 142 15 15 LEU HG H 1.73 0.01 1 143 15 15 LEU HD1 H 0.88 0.01 2 144 15 15 LEU HD2 H 0.92 0.01 2 145 15 15 LEU CA C 57.7 0.10 1 146 15 15 LEU CB C 42.0 0.10 1 147 15 15 LEU CG C 26.7 0.10 1 148 15 15 LEU CD1 C 22.7 0.10 1 149 15 15 LEU CD2 C 23.7 0.10 1 150 16 16 ARG H H 7.75 0.01 1 151 16 16 ARG HA H 4.11 0.01 1 152 16 16 ARG HB2 H 2.09 0.01 2 153 16 16 ARG HB3 H 2.14 0.01 2 154 16 16 ARG HG2 H 1.81 0.01 2 155 16 16 ARG HG3 H 1.93 0.01 2 156 16 16 ARG HD2 H 3.21 0.01 2 157 16 16 ARG HD3 H 3.26 0.01 2 158 16 16 ARG HE H 7.10 0.01 1 159 16 16 ARG CA C 59.2 0.10 1 160 16 16 ARG CB C 29.4 0.10 1 161 16 16 ARG CG C 27.3 0.10 1 162 16 16 ARG CD C 43.2 0.10 1 163 17 17 ILE H H 7.91 0.01 1 164 17 17 ILE HA H 3.87 0.01 1 165 17 17 ILE HB H 2.14 0.01 1 166 17 17 ILE HG12 H 1.18 0.01 2 167 17 17 ILE HG13 H 1.80 0.01 2 168 17 17 ILE HG2 H 0.97 0.01 1 169 17 17 ILE HD1 H 0.89 0.01 1 170 17 17 ILE CA C 65.0 0.10 1 171 17 17 ILE CB C 37.9 0.10 1 172 17 17 ILE CG1 C 28.5 0.10 1 173 17 17 ILE CG2 C 16.3 0.10 1 174 18 18 VAL H H 8.03 0.01 1 175 18 18 VAL HA H 3.56 0.01 1 176 18 18 VAL HB H 2.19 0.01 1 177 18 18 VAL HG1 H 0.90 0.01 2 178 18 18 VAL HG2 H 1.07 0.01 2 179 18 18 VAL CA C 67.5 0.10 1 180 18 18 VAL CB C 31.6 0.10 1 181 18 18 VAL CG1 C 20.2 0.10 1 182 18 18 VAL CG2 C 22.0 0.10 1 183 19 19 PHE H H 8.37 0.01 1 184 19 19 PHE HA H 4.34 0.01 1 185 19 19 PHE HB2 H 3.24 0.01 2 186 19 19 PHE HB3 H 3.24 0.01 2 187 19 19 PHE HD1 H 7.25 0.01 3 188 19 19 PHE HD2 H 7.25 0.01 3 189 19 19 PHE HE1 H 7.27 0.01 3 190 19 19 PHE HE2 H 7.27 0.01 3 191 19 19 PHE CA C 61.0 0.10 1 192 19 19 PHE CB C 38.4 0.10 1 193 20 20 ALA H H 8.19 0.01 1 194 20 20 ALA HA H 4.15 0.01 1 195 20 20 ALA HB H 1.69 0.01 1 196 20 20 ALA CA C 55.9 0.10 1 197 20 20 ALA CB C 17.4 0.10 1 198 21 21 VAL H H 8.69 0.01 1 199 21 21 VAL HA H 3.63 0.01 1 200 21 21 VAL HB H 2.29 0.01 1 201 21 21 VAL HG1 H 0.96 0.01 2 202 21 21 VAL HG2 H 1.12 0.01 2 203 21 21 VAL CA C 67.3 0.10 1 204 21 21 VAL CB C 31.7 0.10 1 205 21 21 VAL CG1 C 20.5 0.10 1 206 21 21 VAL CG2 C 21.8 0.10 1 207 22 22 LEU H H 8.91 0.01 1 208 22 22 LEU HA H 4.05 0.01 1 209 22 22 LEU HB2 H 1.46 0.01 2 210 22 22 LEU HB3 H 1.94 0.01 2 211 22 22 LEU HG H 1.94 0.01 1 212 22 22 LEU HD1 H 0.86 0.01 2 213 22 22 LEU HD2 H 0.85 0.01 2 214 22 22 LEU CA C 58.4 0.10 1 215 22 22 LEU CB C 41.7 0.10 1 216 22 22 LEU CG C 26.6 0.10 1 217 22 22 LEU CD1 C 21.8 0.10 1 218 22 22 LEU CD2 C 24.5 0.10 1 219 23 23 SER H H 8.07 0.01 1 220 23 23 SER HA H 4.13 0.01 1 221 23 23 SER HB2 H 3.86 0.01 2 222 23 23 SER HB3 H 4.16 0.01 2 223 23 23 SER CA C 62.5 0.10 1 224 23 23 SER CB C 62.7 0.10 1 225 24 24 ILE H H 8.10 0.01 1 226 24 24 ILE HA H 3.83 0.01 1 227 24 24 ILE HB H 2.09 0.01 1 228 24 24 ILE HG12 H 1.16 0.01 2 229 24 24 ILE HG13 H 1.85 0.01 2 230 24 24 ILE HG2 H 0.97 0.01 1 231 24 24 ILE HD1 H 0.90 0.01 1 232 24 24 ILE CA C 64.9 0.10 1 233 24 24 ILE CB C 38.3 0.10 1 234 24 24 ILE CG1 C 28.8 0.10 1 235 25 25 LYS H H 8.54 0.01 1 236 25 25 LYS HA H 4.12 0.01 1 237 25 25 LYS HB2 H 1.96 0.01 2 238 25 25 LYS HB3 H 2.05 0.01 2 239 25 25 LYS HG2 H 1.58 0.01 2 240 25 25 LYS HG3 H 1.63 0.01 2 241 25 25 LYS HD2 H 1.71 0.01 2 242 25 25 LYS HD3 H 1.71 0.01 2 243 25 25 LYS HE2 H 2.96 0.01 2 244 25 25 LYS HE3 H 2.96 0.01 2 245 25 25 LYS CA C 58.6 0.10 1 246 25 25 LYS CB C 32.0 0.10 1 247 25 25 LYS CG C 24.8 0.10 1 248 25 25 LYS CD C 28.8 0.10 1 249 25 25 LYS CE C 42.0 0.10 1 250 26 26 LYS H H 8.35 0.01 1 251 26 26 LYS HA H 4.20 0.01 1 252 26 26 LYS HB2 H 1.99 0.01 2 253 26 26 LYS HB3 H 1.99 0.01 2 254 26 26 LYS HG2 H 1.58 0.01 2 255 26 26 LYS HG3 H 1.58 0.01 2 256 26 26 LYS HD2 H 1.75 0.01 2 257 26 26 LYS HD3 H 1.75 0.01 2 258 26 26 LYS CA C 57.8 0.10 1 259 26 26 LYS CB C 32.4 0.10 1 260 26 26 LYS CG C 24.8 0.10 1 261 27 27 LYS H H 7.85 0.01 1 262 27 27 LYS HA H 4.21 0.01 1 263 27 27 LYS HB2 H 2.01 0.01 2 264 27 27 LYS HB3 H 2.01 0.01 2 265 27 27 LYS HG2 H 1.58 0.01 2 266 27 27 LYS HG3 H 1.65 0.01 2 267 27 27 LYS HD2 H 1.76 0.01 2 268 27 27 LYS HD3 H 1.76 0.01 2 269 27 27 LYS HE2 H 3.06 0.01 2 270 27 27 LYS HE3 H 3.06 0.01 2 271 27 27 LYS CA C 57.3 0.10 1 272 27 27 LYS CB C 32.7 0.10 1 273 27 27 LYS CD C 29.0 0.10 1 stop_ save_