data_34130 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment and structure of a peptide derived from the fusion peptide of HIV-1 gp41 in the presence of dodecylphosphocholine micelles ; _BMRB_accession_number 34130 _BMRB_flat_file_name bmr34130.str _Entry_type original _Submission_date 2017-05-04 _Accession_date 2017-05-04 _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 Jimenez M. A. . 2 Serrano S. . . 3 Nieva J. L. . 4 Huarte N. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 218 "13C chemical shifts" 45 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-28 original BMRB . stop_ _Original_release_date 2017-05-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure-Related Roles for the Conservation of the HIV-1 Fusion Peptide Sequence Revealed by Nuclear Magnetic Resonance ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28930470 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serrano S. . . 2 Huarte N. . . 3 Rujas E. . . 4 Andreu D. . . 5 Nieva J. L. . 6 Jimenez M. A. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 56 _Journal_issue 41 _Journal_ISSN 1520-4995 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5503 _Page_last 5511 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GP41,GP41 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 3822.411 _Mol_thiol_state . _Details ; Residues 1-15 are derived from gp41 fusion peptide and correspond to residues 514-528 of gp41. Residues 19-35 are derived from gp41 MPER region and correspond to residues 655-671 of gp41. Residues 16-18 are the linker sequence. ; ############################## # Polymer residue sequence # ############################## _Residue_count 35 _Mol_residue_sequence ; GIGALFLGFLGAAGSKKXKN EQELLELDKWASLWN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 GLY 4 ALA 5 LEU 6 PHE 7 LEU 8 GLY 9 PHE 10 LEU 11 GLY 12 ALA 13 ALA 14 GLY 15 SER 16 LYS 17 LYS 18 ACA 19 LYS 20 ASN 21 GLU 22 GLN 23 GLU 24 LEU 25 LEU 26 GLU 27 LEU 28 ASP 29 LYS 30 TRP 31 ALA 32 SER 33 LEU 34 TRP 35 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_ACA _Saveframe_category polymer_residue _Mol_type 'PEPTIDE LINKING' _Name_common '6-AMINOHEXANOIC ACID' _BMRB_code ACA _PDB_code ACA _Standard_residue_derivative . _Molecular_mass 131.173 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? HO2 HO2 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 O1 ? ? SING C1 O2 ? ? SING C1 C2 ? ? SING O2 HO2 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 N6 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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 $entity_1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details ; 0.6 mM wtFP-tag, 20 mM [U-98% 2H] DPC, 2.0 mM HEPES, 90 % H2O, 10 % [U-99% 2H] D2O, 0.1 mM DSS. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 10 % '[U-99% 2H]' DPC 20 mM '[U-98% 2H]' DSS 0.1 mM 'natural abundance' H2O 90 % 'natural abundance' HEPES 2.0 mM 'natural abundance' $entity_1 0.6 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with a cryoprobe' 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 6.8 . pH* pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 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_chemical_shifts_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 $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 GLY HA2 H 4.097 0.003 2 2 1 1 GLY HA3 H 4.097 0.003 2 3 2 2 ILE H H 9.532 0.002 1 4 2 2 ILE HA H 3.912 0.003 1 5 2 2 ILE HB H 1.899 0.002 1 6 2 2 ILE HG12 H 1.305 0.003 2 7 2 2 ILE HG13 H 1.584 0.003 2 8 2 2 ILE HG2 H 0.948 0.003 1 9 2 2 ILE HD1 H 0.916 0.003 1 10 2 2 ILE CA C 64.161 0.000 1 11 2 2 ILE CB C 38.354 0.000 1 12 2 2 ILE CG2 C 18.309 0.000 1 13 2 2 ILE CD1 C 13.979 0.000 1 14 3 3 GLY H H 9.263 0.002 1 15 3 3 GLY HA2 H 3.686 0.004 2 16 3 3 GLY HA3 H 3.860 0.008 2 17 4 4 ALA H H 8.279 0.001 1 18 4 4 ALA HA H 4.091 0.002 1 19 4 4 ALA HB H 1.499 0.002 1 20 4 4 ALA CB C 18.627 0.000 1 21 5 5 LEU H H 7.876 0.003 1 22 5 5 LEU HA H 4.112 0.005 1 23 5 5 LEU HB2 H 1.613 0.005 2 24 5 5 LEU HB3 H 1.870 0.004 2 25 5 5 LEU HG H 1.696 0.002 1 26 5 5 LEU HD1 H 0.905 0.005 2 27 5 5 LEU HD2 H 0.905 0.005 2 28 5 5 LEU CA C 58.027 0.000 1 29 5 5 LEU CB C 42.355 0.014 1 30 6 6 PHE H H 8.384 0.003 1 31 6 6 PHE HA H 4.308 0.005 1 32 6 6 PHE HB2 H 3.223 0.004 2 33 6 6 PHE HB3 H 3.223 0.004 2 34 6 6 PHE HD1 H 7.175 0.002 1 35 6 6 PHE HD2 H 7.175 0.002 1 36 6 6 PHE HE1 H 7.139 0.001 1 37 6 6 PHE HE2 H 7.139 0.001 1 38 6 6 PHE HZ H 7.081 0.002 1 39 6 6 PHE CA C 61.294 0.000 1 40 6 6 PHE CB C 39.501 0.000 1 41 7 7 LEU H H 8.478 0.003 1 42 7 7 LEU HA H 3.953 0.004 1 43 7 7 LEU HB2 H 1.555 0.002 2 44 7 7 LEU HB3 H 1.873 0.007 2 45 7 7 LEU HG H 1.903 0.007 1 46 7 7 LEU HD1 H 0.893 0.001 2 47 7 7 LEU HD2 H 0.929 0.007 2 48 7 7 LEU CA C 58.318 0.000 1 49 7 7 LEU CB C 42.468 0.011 1 50 8 8 GLY H H 8.209 0.002 1 51 8 8 GLY HA2 H 3.939 0.001 2 52 8 8 GLY HA3 H 3.939 0.001 2 53 9 9 PHE H H 7.985 0.003 1 54 9 9 PHE HA H 4.409 0.003 1 55 9 9 PHE HB2 H 3.211 0.006 2 56 9 9 PHE HB3 H 3.211 0.006 2 57 9 9 PHE HD1 H 7.177 0.001 1 58 9 9 PHE HD2 H 7.177 0.001 1 59 9 9 PHE HE1 H 7.139 0.000 1 60 9 9 PHE HE2 H 7.139 0.000 1 61 9 9 PHE CB C 39.530 0.000 1 62 10 10 LEU H H 7.985 0.002 1 63 10 10 LEU HA H 3.880 0.005 1 64 10 10 LEU HB2 H 1.474 0.006 2 65 10 10 LEU HB3 H 1.694 0.004 2 66 10 10 LEU HG H 1.660 0.005 1 67 10 10 LEU HD1 H 0.753 0.005 2 68 10 10 LEU HD2 H 0.777 0.005 2 69 10 10 LEU CB C 42.284 0.010 1 70 10 10 LEU CD1 C 25.856 0.000 1 71 10 10 LEU CD2 C 23.724 0.000 1 72 11 11 GLY H H 8.065 0.000 1 73 11 11 GLY HA2 H 3.865 0.001 2 74 11 11 GLY HA3 H 3.902 0.001 2 75 12 12 ALA H H 7.872 0.001 1 76 12 12 ALA HA H 4.265 0.002 1 77 12 12 ALA HB H 1.418 0.002 1 78 12 12 ALA CA C 53.665 0.000 1 79 12 12 ALA CB C 19.263 0.000 1 80 13 13 ALA H H 8.122 0.002 1 81 13 13 ALA HA H 4.132 0.002 1 82 13 13 ALA HB H 1.298 0.001 1 83 13 13 ALA CA C 53.873 0.000 1 84 13 13 ALA CB C 19.012 0.000 1 85 14 14 GLY H H 8.248 0.003 1 86 14 14 GLY HA2 H 3.867 0.000 2 87 14 14 GLY HA3 H 3.905 0.003 2 88 15 15 SER H H 7.983 0.001 1 89 15 15 SER HA H 4.358 0.003 1 90 15 15 SER HB2 H 3.860 0.002 2 91 15 15 SER HB3 H 3.910 0.005 2 92 16 16 LYS H H 8.221 0.005 1 93 16 16 LYS HA H 4.285 0.003 1 94 16 16 LYS HB2 H 1.788 0.002 2 95 16 16 LYS HB3 H 1.877 0.003 2 96 16 16 LYS HG2 H 1.462 0.000 2 97 16 16 LYS HG3 H 1.462 0.000 2 98 16 16 LYS HD2 H 1.666 0.004 2 99 16 16 LYS HD3 H 1.666 0.004 2 100 16 16 LYS HE2 H 2.958 0.000 2 101 16 16 LYS HE3 H 2.958 0.000 2 102 16 16 LYS CA C 56.906 0.000 1 103 17 17 LYS H H 8.063 0.002 1 104 17 17 LYS HA H 4.213 0.005 1 105 17 17 LYS HB2 H 1.716 0.007 2 106 17 17 LYS HB3 H 1.787 0.002 2 107 17 17 LYS HG2 H 1.415 0.005 2 108 17 17 LYS HG3 H 1.415 0.005 2 109 17 17 LYS HD2 H 1.668 0.000 2 110 17 17 LYS HD3 H 1.668 0.000 2 111 17 17 LYS CA C 56.837 0.000 1 112 18 18 ACA H21 H 2.266 0.004 2 113 18 18 ACA H22 H 2.314 0.002 2 114 18 18 ACA H31 H 1.580 0.001 2 115 18 18 ACA H32 H 1.580 0.001 2 116 18 18 ACA H41 H 1.283 0.005 2 117 18 18 ACA H42 H 1.283 0.005 2 118 18 18 ACA H51 H 1.482 0.005 2 119 18 18 ACA H52 H 1.482 0.005 2 120 18 18 ACA H61 H 3.127 0.002 2 121 18 18 ACA H62 H 3.179 0.003 2 122 18 18 ACA C2 C 38.237 0.007 1 123 18 18 ACA C3 C 27.853 0.000 1 124 18 18 ACA C4 C 28.699 0.000 1 125 18 18 ACA C5 C 31.157 0.000 1 126 18 18 ACA C6 C 42.216 0.016 1 127 18 18 ACA HN61 H 7.863 0.003 1 128 19 19 LYS H H 8.371 0.002 1 129 19 19 LYS HA H 4.232 0.001 1 130 19 19 LYS HB2 H 1.735 0.000 2 131 19 19 LYS HB3 H 1.777 0.002 2 132 19 19 LYS HG2 H 1.418 0.001 2 133 19 19 LYS HG3 H 1.418 0.001 2 134 19 19 LYS HD2 H 1.691 0.000 2 135 19 19 LYS HD3 H 1.691 0.000 2 136 19 19 LYS HE2 H 2.958 0.000 2 137 19 19 LYS HE3 H 2.958 0.000 2 138 19 19 LYS CA C 57.193 0.000 1 139 20 20 ASN H H 8.327 0.002 1 140 20 20 ASN HA H 4.684 0.004 1 141 20 20 ASN HB2 H 2.889 0.004 2 142 20 20 ASN HB3 H 2.889 0.004 2 143 20 20 ASN HD21 H 6.922 0.001 2 144 20 20 ASN HD22 H 7.632 0.000 2 145 20 20 ASN CB C 39.198 0.000 1 146 21 21 GLU H H 8.659 0.001 1 147 21 21 GLU HA H 4.130 0.003 1 148 21 21 GLU HB2 H 2.018 0.006 2 149 21 21 GLU HB3 H 2.080 0.004 2 150 21 21 GLU HG2 H 2.292 0.002 2 151 21 21 GLU HG3 H 2.292 0.002 2 152 21 21 GLU CA C 58.603 0.000 1 153 22 22 GLN H H 8.318 0.002 1 154 22 22 GLN HA H 4.143 0.002 1 155 22 22 GLN HB2 H 2.098 0.006 2 156 22 22 GLN HB3 H 2.098 0.006 2 157 22 22 GLN HG2 H 2.383 0.004 2 158 22 22 GLN HG3 H 2.383 0.004 2 159 22 22 GLN HE21 H 6.854 0.002 2 160 22 22 GLN HE22 H 7.630 0.002 2 161 22 22 GLN CB C 28.922 0.000 1 162 23 23 GLU H H 8.305 0.004 1 163 23 23 GLU HA H 4.183 0.002 1 164 23 23 GLU HB2 H 2.009 0.003 2 165 23 23 GLU HB3 H 2.063 0.006 2 166 23 23 GLU HG2 H 2.288 0.004 2 167 23 23 GLU HG3 H 2.395 0.008 2 168 24 24 LEU H H 8.080 0.003 1 169 24 24 LEU HA H 4.203 0.002 1 170 24 24 LEU HB2 H 1.603 0.003 2 171 24 24 LEU HB3 H 1.794 0.007 2 172 24 24 LEU HG H 1.711 0.007 1 173 24 24 LEU HD1 H 0.868 0.003 2 174 24 24 LEU HD2 H 0.912 0.004 2 175 24 24 LEU CB C 42.319 0.000 1 176 24 24 LEU CG C 27.393 0.000 1 177 25 25 LEU H H 7.891 0.004 1 178 25 25 LEU HA H 4.322 0.005 1 179 25 25 LEU HB2 H 1.607 0.003 2 180 25 25 LEU HB3 H 1.766 0.003 2 181 25 25 LEU HG H 1.703 0.003 1 182 25 25 LEU HD1 H 0.865 0.003 2 183 25 25 LEU HD2 H 0.895 0.001 2 184 25 25 LEU CB C 42.564 0.006 1 185 26 26 GLU H H 7.983 0.003 1 186 26 26 GLU HA H 4.303 0.003 1 187 26 26 GLU HB2 H 2.051 0.001 2 188 26 26 GLU HB3 H 2.085 0.003 2 189 26 26 GLU HG2 H 2.295 0.002 2 190 26 26 GLU HG3 H 2.356 0.003 2 191 27 27 LEU H H 8.221 0.004 1 192 27 27 LEU HA H 4.096 0.003 1 193 27 27 LEU HB2 H 1.670 0.005 2 194 27 27 LEU HB3 H 1.787 0.001 2 195 27 27 LEU HG H 1.784 0.005 1 196 27 27 LEU HD1 H 0.859 0.006 2 197 27 27 LEU HD2 H 0.928 0.003 2 198 27 27 LEU CA C 58.027 0.000 1 199 27 27 LEU CB C 42.257 0.000 1 200 27 27 LEU CG C 27.420 0.000 1 201 28 28 ASP H H 8.503 0.002 1 202 28 28 ASP HA H 4.389 0.001 1 203 28 28 ASP HB2 H 2.716 0.002 2 204 28 28 ASP HB3 H 2.716 0.002 2 205 28 28 ASP CB C 40.438 0.000 1 206 29 29 LYS H H 7.827 0.001 1 207 29 29 LYS HA H 4.096 0.003 1 208 29 29 LYS HB2 H 1.688 0.005 2 209 29 29 LYS HB3 H 1.797 0.006 2 210 29 29 LYS HG2 H 1.167 0.006 2 211 29 29 LYS HG3 H 1.315 0.007 2 212 29 29 LYS HD2 H 1.548 0.005 2 213 29 29 LYS HD3 H 1.548 0.005 2 214 29 29 LYS HE2 H 2.806 0.005 2 215 29 29 LYS HE3 H 2.806 0.005 2 216 29 29 LYS CA C 58.603 0.000 1 217 29 29 LYS CE C 42.240 0.000 1 218 30 30 TRP H H 7.805 0.004 1 219 30 30 TRP HA H 4.480 0.003 1 220 30 30 TRP HB2 H 3.243 0.006 2 221 30 30 TRP HB3 H 3.427 0.004 2 222 30 30 TRP HD1 H 7.326 0.003 1 223 30 30 TRP HE1 H 10.603 0.002 1 224 30 30 TRP HE3 H 7.518 0.002 1 225 30 30 TRP HZ2 H 7.442 0.002 1 226 30 30 TRP HZ3 H 6.947 0.002 1 227 30 30 TRP HH2 H 7.071 0.001 1 228 31 31 ALA H H 8.214 0.003 1 229 31 31 ALA HA H 3.867 0.002 1 230 31 31 ALA HB H 1.460 0.002 1 231 31 31 ALA CA C 55.220 0.000 1 232 31 31 ALA CB C 18.641 0.000 1 233 32 32 SER H H 7.938 0.002 1 234 32 32 SER HA H 4.267 0.003 1 235 32 32 SER HB2 H 3.958 0.002 2 236 32 32 SER HB3 H 3.958 0.002 2 237 32 32 SER CB C 63.276 0.000 1 238 33 33 LEU H H 7.743 0.002 1 239 33 33 LEU HA H 4.146 0.002 1 240 33 33 LEU HB2 H 1.795 0.003 2 241 33 33 LEU HB3 H 1.893 0.002 2 242 33 33 LEU HG H 1.549 0.004 1 243 33 33 LEU HD1 H 0.881 0.006 2 244 33 33 LEU HD2 H 0.943 0.004 2 245 33 33 LEU CA C 57.386 0.000 1 246 33 33 LEU CB C 42.532 0.000 1 247 34 34 TRP H H 7.719 0.002 1 248 34 34 TRP HA H 4.532 0.001 1 249 34 34 TRP HB2 H 3.226 0.003 2 250 34 34 TRP HB3 H 3.320 0.001 2 251 34 34 TRP HD1 H 7.178 0.001 1 252 34 34 TRP HE1 H 10.375 0.002 1 253 34 34 TRP HE3 H 7.506 0.005 1 254 34 34 TRP HZ2 H 7.444 0.003 1 255 34 34 TRP HZ3 H 6.985 0.003 1 256 34 34 TRP HH2 H 7.070 0.002 1 257 35 35 ASN H H 7.981 0.001 1 258 35 35 ASN HA H 4.533 0.002 1 259 35 35 ASN HB2 H 2.711 0.005 2 260 35 35 ASN HB3 H 2.787 0.003 2 261 35 35 ASN HD21 H 6.969 0.003 2 262 35 35 ASN HD22 H 7.553 0.003 2 263 35 35 ASN CB C 39.638 0.000 1 stop_ save_