data_19582 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of hexafluoroisopropanol ; _BMRB_accession_number 19582 _BMRB_flat_file_name bmr19582.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" 203 "13C chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-23 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19583 'peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of dodecylphosphocholine micelles' 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 membrane proximal external region of HIV-1 gp41' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CpreTM $CpreTM 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_CpreTM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CpreTM _Molecular_mass 3489.345 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; KKKNWFDITNWLWYIKLFIM IVGGLVKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 LYS 2 2 LYS 3 3 LYS 4 4 ASN 5 5 TRP 6 6 PHE 7 7 ASP 8 8 ILE 9 9 THR 10 10 ASN 11 11 TRP 12 12 LEU 13 13 TRP 14 14 TYR 15 15 ILE 16 16 LYS 17 17 LEU 18 18 PHE 19 19 ILE 20 20 MET 21 21 ILE 22 22 VAL 23 23 GLY 24 24 GLY 25 25 LEU 26 26 VAL 27 27 LYS 28 28 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 BMRB 19583 CpreTM 100.00 28 100.00 100.00 5.75e-09 PDB 2MG2 "Nmr Assignment And Structure Of A Peptide Derived From The Membrane Proximal External Region Of Hiv-1 Gp41 In The Presence Of H" 100.00 28 100.00 100.00 5.75e-09 PDB 2MG3 "Nmr Assignment And Structure Of A Peptide Derived From The Membrane Proximal External Region Of Hiv-1 Gp41 In The Presence Of D" 100.00 28 100.00 100.00 5.75e-09 GB AAC58893 "envelope glycoprotein [Human immunodeficiency virus 1]" 82.14 859 100.00 100.00 3.25e-06 GB AAD12142 "envelope glycoprotein [Simian-Human immunodeficiency virus]" 82.14 856 100.00 100.00 4.46e-06 GB AAS72624 "envelope glycoprotein, partial [Human immunodeficiency virus 1]" 50.00 130 100.00 100.00 2.89e+00 GB AAV28703 "env [Simian-Human immunodeficiency virus]" 82.14 856 100.00 100.00 4.59e-06 GB AAV39368 "envelope glycoprotein [Human immunodeficiency virus 1]" 71.43 143 100.00 100.00 1.77e-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 $CpreTM 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 $CpreTM '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 $CpreTM 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_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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 CpreTM _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 4.01 0.010 1 2 1 1 LYS HB2 H 1.95 0.010 2 3 1 1 LYS HB3 H 1.95 0.010 2 4 1 1 LYS HG2 H 1.53 0.010 2 5 1 1 LYS HG3 H 1.53 0.010 2 6 1 1 LYS HD2 H 1.76 0.010 2 7 1 1 LYS HD3 H 1.76 0.010 2 8 1 1 LYS HE2 H 3.06 0.010 2 9 1 1 LYS HE3 H 3.06 0.010 2 10 1 1 LYS CA C 56.0 0.100 1 11 1 1 LYS CB C 33.9 0.100 1 12 1 1 LYS CG C 24.1 0.100 1 13 1 1 LYS CE C 42.1 0.100 1 14 2 2 LYS HA H 4.43 0.010 1 15 2 2 LYS HB2 H 1.84 0.010 2 16 2 2 LYS HB3 H 1.92 0.010 2 17 2 2 LYS HG2 H 1.54 0.010 2 18 2 2 LYS HG3 H 1.54 0.010 2 19 2 2 LYS HD2 H 1.77 0.010 2 20 2 2 LYS HD3 H 1.77 0.010 2 21 2 2 LYS HE2 H 3.06 0.010 2 22 2 2 LYS HE3 H 3.06 0.010 2 23 2 2 LYS CA C 56.6 0.100 1 24 2 2 LYS CB C 33.5 0.100 1 25 2 2 LYS CG C 24.9 0.100 1 26 2 2 LYS CD C 29.0 0.100 1 27 3 3 LYS H H 8.38 0.010 1 28 3 3 LYS HA H 4.38 0.010 1 29 3 3 LYS HB2 H 1.78 0.010 2 30 3 3 LYS HB3 H 1.78 0.010 2 31 3 3 LYS HG2 H 1.45 0.010 2 32 3 3 LYS HG3 H 1.50 0.010 2 33 3 3 LYS HD2 H 1.68 0.010 2 34 3 3 LYS HD3 H 1.68 0.010 2 35 3 3 LYS HE2 H 2.99 0.010 2 36 3 3 LYS HE3 H 2.99 0.010 2 37 3 3 LYS CA C 56.7 0.100 1 38 3 3 LYS CB C 33.3 0.100 1 39 3 3 LYS CG C 24.8 0.100 1 40 3 3 LYS CD C 29.1 0.100 1 41 3 3 LYS CE C 42.1 0.100 1 42 4 4 ASN H H 8.57 0.010 1 43 4 4 ASN HB2 H 2.69 0.010 2 44 4 4 ASN HB3 H 2.76 0.010 2 45 4 4 ASN HD21 H 7.53 0.010 2 46 4 4 ASN HD22 H 6.79 0.010 2 47 4 4 ASN CB C 39.5 0.100 1 48 5 5 TRP H H 8.00 0.010 1 49 5 5 TRP HA H 4.46 0.010 1 50 5 5 TRP HB2 H 3.25 0.010 2 51 5 5 TRP HB3 H 3.35 0.010 2 52 5 5 TRP HD1 H 7.17 0.010 1 53 5 5 TRP HE1 H 9.59 0.010 1 54 5 5 TRP HE3 H 7.49 0.010 1 55 5 5 TRP HZ2 H 7.49 0.010 1 56 5 5 TRP HZ3 H 7.17 0.010 1 57 5 5 TRP HH2 H 7.27 0.010 1 58 5 5 TRP CA C 59.2 0.100 1 59 5 5 TRP CB C 29.2 0.100 1 60 6 6 PHE H H 7.40 0.010 1 61 6 6 PHE HA H 4.28 0.010 1 62 6 6 PHE HB2 H 2.80 0.010 2 63 6 6 PHE HB3 H 2.85 0.010 2 64 6 6 PHE HD1 H 7.06 0.010 3 65 6 6 PHE HD2 H 7.06 0.010 3 66 6 6 PHE HE1 H 7.31 0.010 3 67 6 6 PHE HE2 H 7.31 0.010 3 68 6 6 PHE HZ H 7.25 0.010 1 69 6 6 PHE CA C 59.0 0.100 1 70 6 6 PHE CB C 38.5 0.100 1 71 7 7 ASP H H 7.86 0.010 1 72 7 7 ASP HA H 4.59 0.010 1 73 7 7 ASP HB2 H 2.80 0.010 2 74 7 7 ASP HB3 H 2.80 0.010 2 75 7 7 ASP CA C 55.7 0.100 1 76 7 7 ASP CB C 41.4 0.100 1 77 8 8 ILE H H 7.84 0.010 1 78 8 8 ILE HA H 4.05 0.010 1 79 8 8 ILE HB H 1.97 0.010 1 80 8 8 ILE HG12 H 1.34 0.010 2 81 8 8 ILE HG13 H 1.62 0.010 2 82 8 8 ILE HG2 H 1.03 0.010 1 83 8 8 ILE HD1 H 0.94 0.010 1 84 8 8 ILE CA C 65.4 0.100 1 85 8 8 ILE CB C 38.6 0.100 1 86 8 8 ILE CG1 C 28.5 0.100 1 87 8 8 ILE CG2 C 16.8 0.100 1 88 8 8 ILE CD1 C 12.5 0.100 1 89 9 9 THR H H 8.08 0.010 1 90 9 9 THR HA H 4.05 0.010 1 91 9 9 THR HB H 4.22 0.010 1 92 9 9 THR HG2 H 1.22 0.010 1 93 9 9 THR CA C 64.0 0.100 1 94 9 9 THR CB C 69.1 0.100 1 95 9 9 THR CG2 C 21.2 0.100 1 96 10 10 ASN H H 7.93 0.010 1 97 10 10 ASN HA H 4.65 0.010 1 98 10 10 ASN HB2 H 2.71 0.010 2 99 10 10 ASN HB3 H 2.78 0.010 2 100 10 10 ASN HD21 H 7.17 0.010 2 101 10 10 ASN HD22 H 6.32 0.010 2 102 10 10 ASN CB C 38.7 0.100 1 103 11 11 TRP H H 7.91 0.010 1 104 11 11 TRP HA H 4.75 0.010 1 105 11 11 TRP HB2 H 3.35 0.010 2 106 11 11 TRP HB3 H 3.58 0.010 2 107 11 11 TRP HD1 H 7.23 0.010 1 108 11 11 TRP HE1 H 9.28 0.010 1 109 11 11 TRP HE3 H 7.59 0.010 1 110 11 11 TRP HZ2 H 7.39 0.010 1 111 11 11 TRP HZ3 H 7.05 0.010 1 112 11 11 TRP HH2 H 7.20 0.010 1 113 11 11 TRP CB C 29.5 0.100 1 114 12 12 LEU H H 8.00 0.010 1 115 12 12 LEU HA H 4.05 0.010 1 116 12 12 LEU HB2 H 1.52 0.010 2 117 12 12 LEU HB3 H 1.82 0.010 2 118 12 12 LEU HG H 1.83 0.010 1 119 12 12 LEU HD1 H 0.89 0.010 2 120 12 12 LEU HD2 H 0.95 0.010 2 121 12 12 LEU CA C 57.9 0.100 1 122 12 12 LEU CB C 41.8 0.100 1 123 12 12 LEU CG C 26.8 0.100 1 124 12 12 LEU CD1 C 23.1 0.100 1 125 12 12 LEU CD2 C 24.3 0.100 1 126 13 13 TRP H H 7.85 0.010 1 127 13 13 TRP HA H 4.25 0.010 1 128 13 13 TRP HB2 H 3.33 0.010 2 129 13 13 TRP HB3 H 3.41 0.010 2 130 13 13 TRP HD1 H 7.04 0.010 1 131 13 13 TRP HE1 H 9.27 0.010 1 132 13 13 TRP HE3 H 7.35 0.010 1 133 13 13 TRP HZ2 H 7.43 0.010 1 134 13 13 TRP HZ3 H 7.09 0.010 1 135 13 13 TRP HH2 H 7.25 0.010 1 136 13 13 TRP CA C 60.3 0.100 1 137 13 13 TRP CB C 28.7 0.100 1 138 14 14 TYR H H 7.40 0.010 1 139 14 14 TYR HA H 4.05 0.010 1 140 14 14 TYR HB2 H 2.79 0.010 2 141 14 14 TYR HB3 H 3.03 0.010 2 142 14 14 TYR HD1 H 7.12 0.010 3 143 14 14 TYR HD2 H 7.12 0.010 3 144 14 14 TYR HE1 H 6.84 0.010 3 145 14 14 TYR HE2 H 6.84 0.010 3 146 14 14 TYR CA C 61.3 0.100 1 147 15 15 ILE H H 7.93 0.010 1 148 15 15 ILE HA H 3.80 0.010 1 149 15 15 ILE HB H 1.86 0.010 1 150 15 15 ILE HG12 H 1.15 0.010 2 151 15 15 ILE HG13 H 1.51 0.010 2 152 15 15 ILE HG2 H 0.92 0.010 1 153 15 15 ILE HD1 H 0.79 0.010 1 154 15 15 ILE CA C 64.3 0.100 1 155 15 15 ILE CB C 37.7 0.100 1 156 15 15 ILE CG1 C 28.2 0.100 1 157 15 15 ILE CG2 C 16.7 0.100 1 158 15 15 ILE CD1 C 11.6 0.100 1 159 16 16 LYS H H 7.88 0.010 1 160 16 16 LYS HA H 3.92 0.010 1 161 16 16 LYS HB2 H 1.87 0.010 2 162 16 16 LYS HB3 H 1.87 0.010 2 163 16 16 LYS HG2 H 1.39 0.010 2 164 16 16 LYS HG3 H 1.56 0.010 2 165 16 16 LYS HD2 H 1.65 0.010 2 166 16 16 LYS HD3 H 1.65 0.010 2 167 16 16 LYS HE2 H 2.92 0.010 2 168 16 16 LYS HE3 H 2.92 0.010 2 169 16 16 LYS CA C 60.1 0.100 1 170 16 16 LYS CB C 32.0 0.100 1 171 16 16 LYS CG C 25.2 0.100 1 172 16 16 LYS CD C 29.4 0.100 1 173 16 16 LYS CE C 42.3 0.100 1 174 17 17 LEU H H 7.58 0.010 1 175 17 17 LEU HA H 4.08 0.010 1 176 17 17 LEU HB2 H 1.53 0.010 2 177 17 17 LEU HB3 H 1.74 0.010 2 178 17 17 LEU HG H 1.62 0.010 1 179 17 17 LEU HD1 H 0.90 0.010 2 180 17 17 LEU HD2 H 0.91 0.010 2 181 17 17 LEU CA C 58.2 0.100 1 182 17 17 LEU CB C 41.7 0.100 1 183 17 17 LEU CG C 26.9 0.100 1 184 17 17 LEU CD1 C 22.3 0.100 1 185 17 17 LEU CD2 C 23.9 0.100 1 186 18 18 PHE H H 8.14 0.010 1 187 18 18 PHE HA H 4.14 0.010 1 188 18 18 PHE HB2 H 3.10 0.010 2 189 18 18 PHE HB3 H 3.30 0.010 2 190 18 18 PHE HD1 H 7.16 0.010 3 191 18 18 PHE HD2 H 7.16 0.010 3 192 18 18 PHE HE1 H 7.25 0.010 3 193 18 18 PHE HE2 H 7.25 0.010 3 194 18 18 PHE HZ H 7.21 0.010 1 195 18 18 PHE CA C 61.9 0.100 1 196 18 18 PHE CB C 38.9 0.100 1 197 19 19 ILE H H 8.47 0.010 1 198 19 19 ILE HA H 3.59 0.010 1 199 19 19 ILE HB H 2.00 0.010 1 200 19 19 ILE HG12 H 1.31 0.010 2 201 19 19 ILE HG13 H 1.92 0.010 2 202 19 19 ILE HG2 H 0.94 0.010 1 203 19 19 ILE HD1 H 0.89 0.010 1 204 19 19 ILE CA C 65.1 0.100 1 205 19 19 ILE CB C 37.9 0.100 1 206 19 19 ILE CG1 C 28.8 0.100 1 207 19 19 ILE CG2 C 16.6 0.100 1 208 19 19 ILE CD1 C 12.2 0.100 1 209 20 20 MET H H 8.11 0.010 1 210 20 20 MET HA H 4.13 0.010 1 211 20 20 MET HB2 H 2.21 0.010 2 212 20 20 MET HB3 H 2.41 0.010 2 213 20 20 MET HG2 H 2.56 0.010 2 214 20 20 MET HG3 H 2.80 0.010 2 215 20 20 MET HE H 2.07 0.010 1 216 20 20 MET CA C 59.1 0.100 1 217 20 20 MET CB C 32.6 0.100 1 218 20 20 MET CG C 32.0 0.100 1 219 20 20 MET CE C 15.8 0.100 1 220 21 21 ILE H H 8.55 0.010 1 221 21 21 ILE HA H 3.81 0.010 1 222 21 21 ILE HB H 1.99 0.010 1 223 21 21 ILE HG12 H 1.14 0.010 2 224 21 21 ILE HG13 H 1.81 0.010 2 225 21 21 ILE HG2 H 0.88 0.010 1 226 21 21 ILE HD1 H 0.86 0.010 1 227 21 21 ILE CA C 65.1 0.100 1 228 21 21 ILE CB C 38.3 0.100 1 229 21 21 ILE CG1 C 28.5 0.100 1 230 21 21 ILE CG2 C 15.9 0.100 1 231 21 21 ILE CD1 C 11.9 0.100 1 232 22 22 VAL H H 8.64 0.010 1 233 22 22 VAL HA H 3.60 0.010 1 234 22 22 VAL HB H 1.74 0.010 1 235 22 22 VAL HG1 H 0.66 0.010 2 236 22 22 VAL HG2 H 0.79 0.010 2 237 22 22 VAL CA C 66.9 0.100 1 238 22 22 VAL CB C 31.2 0.100 1 239 22 22 VAL CG1 C 21.8 0.100 1 240 22 22 VAL CG2 C 20.5 0.100 1 241 23 23 GLY H H 8.32 0.010 1 242 23 23 GLY HA2 H 3.80 0.010 2 243 23 23 GLY HA3 H 3.90 0.010 2 244 23 23 GLY CA C 46.9 0.100 1 245 24 24 GLY H H 7.62 0.010 1 246 24 24 GLY HA2 H 3.94 0.010 2 247 24 24 GLY HA3 H 3.94 0.010 2 248 24 24 GLY CA C 46.6 0.100 1 249 25 25 LEU H H 8.05 0.010 1 250 25 25 LEU HA H 4.23 0.010 1 251 25 25 LEU HB2 H 1.61 0.010 2 252 25 25 LEU HB3 H 2.03 0.010 2 253 25 25 LEU HG H 1.84 0.010 1 254 25 25 LEU HD1 H 0.89 0.010 2 255 25 25 LEU HD2 H 0.93 0.010 2 256 25 25 LEU CB C 42.1 0.100 1 257 25 25 LEU CG C 26.7 0.100 1 258 25 25 LEU CD1 C 23.1 0.100 1 259 25 25 LEU CD2 C 24.2 0.100 1 260 26 26 VAL H H 8.31 0.010 1 261 26 26 VAL HA H 3.83 0.010 1 262 26 26 VAL HB H 2.23 0.010 1 263 26 26 VAL HG1 H 0.99 0.010 2 264 26 26 VAL HG2 H 1.07 0.010 2 265 26 26 VAL CA C 65.3 0.100 1 266 26 26 VAL CB C 32.0 0.100 1 267 26 26 VAL CG1 C 20.5 0.100 1 268 26 26 VAL CG2 C 21.1 0.100 1 269 27 27 LYS H H 7.85 0.010 1 270 27 27 LYS HA H 4.22 0.010 1 271 27 27 LYS HB2 H 1.98 0.010 2 272 27 27 LYS HB3 H 1.98 0.010 2 273 27 27 LYS HG2 H 1.55 0.010 2 274 27 27 LYS HG3 H 1.55 0.010 2 275 27 27 LYS HD2 H 1.76 0.010 2 276 27 27 LYS HD3 H 1.76 0.010 2 277 27 27 LYS HE2 H 3.04 0.010 2 278 27 27 LYS HE3 H 3.04 0.010 2 279 27 27 LYS CA C 57.7 0.100 1 280 27 27 LYS CB C 32.5 0.100 1 281 28 28 LYS H H 7.88 0.010 1 282 28 28 LYS HA H 4.23 0.010 1 283 28 28 LYS HB2 H 1.99 0.010 2 284 28 28 LYS HB3 H 1.99 0.010 2 285 28 28 LYS HG2 H 1.60 0.010 2 286 28 28 LYS HG3 H 1.60 0.010 2 287 28 28 LYS HE2 H 3.06 0.010 2 288 28 28 LYS HE3 H 3.06 0.010 2 289 28 28 LYS CA C 57.1 0.100 1 290 28 28 LYS CB C 32.7 0.100 1 stop_ save_