data_11049 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the N-terminal BARpeptide in DPC micelles ; _BMRB_accession_number 11049 _BMRB_flat_file_name bmr11049.str _Entry_type original _Submission_date 2008-06-09 _Accession_date 2008-06-09 _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 Loew Christian . . 2 Weininger Ulrich . . 3 Balbach Jochen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 198 "15N chemical shifts" 38 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-03 original author . stop_ _Original_release_date 2009-03-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and Dynamics of Helix-0 of the N-BAR Domain in Lipid Micelles and Bilayers' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18658220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Loew Christian . . 2 Weininger Ulrich . . 3 Lee Hwankyu . . 4 Schweimer Kristian . . 5 Neundorf Ines . . 6 Beck-Sickinger Annette G. . 7 Pastor Richard W. . 8 Balbach Jochen . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical Journal' _Journal_volume 95 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4315 _Page_last 4323 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BARpeptide _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BARpeptide (1-33)' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'BARpeptide (1-33)' _Molecular_mass 3714.452 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 34 _Mol_residue_sequence ; MAEMGSKGVTAGKIASNVQK KLTRAQEKVLQKLY ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 MET 5 GLY 6 SER 7 LYS 8 GLY 9 VAL 10 THR 11 ALA 12 GLY 13 LYS 14 ILE 15 ALA 16 SER 17 ASN 18 VAL 19 GLN 20 LYS 21 LYS 22 LEU 23 THR 24 ARG 25 ALA 26 GLN 27 GLU 28 LYS 29 VAL 30 LEU 31 GLN 32 LYS 33 LEU 34 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 11050 "BARpeptide (1-33)" 100.00 34 100.00 100.00 1.60e-13 PDB 2FIC "The Crystal Structure Of The Bar Domain From Human Bin1AMPHIPHYSIN II And Its Implications For Molecular Recognition" 97.06 251 100.00 100.00 1.31e-11 PDB 2RMY "Structure Of The N-Terminal Barpeptide In Sds Micelles" 97.06 34 100.00 100.00 2.31e-12 PDB 2RND "Structure Of The N-Terminal Barpeptide In Dpc Micelles" 97.06 34 100.00 100.00 2.31e-12 DBJ BAE87346 "unnamed protein product [Macaca fascicularis]" 97.06 439 100.00 100.00 4.19e-11 DBJ BAH12028 "unnamed protein product [Homo sapiens]" 97.06 470 100.00 100.00 5.45e-11 DBJ BAJ17746 "bridging integrator 1 [synthetic construct]" 97.06 593 100.00 100.00 1.08e-09 EMBL CAA73807 "amphiphysin [Rattus norvegicus]" 97.06 588 100.00 100.00 1.58e-09 EMBL CAD28496 "hypothetical protein [Homo sapiens]" 97.06 593 100.00 100.00 1.08e-09 EMBL CAG31301 "hypothetical protein RCJMB04_4n21 [Gallus gallus]" 97.06 442 96.97 100.00 1.29e-10 EMBL CAL37828 "hypothetical protein [synthetic construct]" 97.06 593 100.00 100.00 1.08e-09 GB AAB61363 "amphiphysin II [Homo sapiens]" 97.06 482 100.00 100.00 4.11e-11 GB AAB63263 "amphiphysin II [Homo sapiens]" 97.06 593 100.00 100.00 8.96e-10 GB AAC17461 "bridging integrator protein-1 [Homo sapiens]" 97.06 454 100.00 100.00 5.00e-11 GB AAC23440 "bridging integrator protein-1 [Homo sapiens]" 97.06 497 100.00 100.00 4.40e-11 GB AAC23441 "bridging integrator protein-1 [Homo sapiens]" 88.24 494 100.00 100.00 6.06e-09 REF NP_001006524 "bridging integrator 1 [Gallus gallus]" 97.06 442 96.97 100.00 1.22e-10 REF NP_001040006 "myc box-dependent-interacting protein 1 [Bos taurus]" 97.06 433 100.00 100.00 3.72e-11 REF NP_001076803 "myc box-dependent-interacting protein 1 isoform 2 [Mus musculus]" 97.06 477 100.00 100.00 3.53e-11 REF NP_001090909 "myc box-dependent-interacting protein 1 [Sus scrofa]" 97.06 434 100.00 100.00 3.85e-11 REF NP_004296 "myc box-dependent-interacting protein 1 isoform 8 [Homo sapiens]" 97.06 454 100.00 100.00 5.00e-11 SP O00499 "RecName: Full=Myc box-dependent-interacting protein 1; AltName: Full=Amphiphysin II; AltName: Full=Amphiphysin-like protein; Al" 97.06 593 100.00 100.00 1.08e-09 SP O08539 "RecName: Full=Myc box-dependent-interacting protein 1; AltName: Full=Amphiphysin II; AltName: Full=Amphiphysin-like protein; Al" 97.06 588 100.00 100.00 1.58e-09 SP O08839 "RecName: Full=Myc box-dependent-interacting protein 1; AltName: Full=Amphiphysin II; AltName: Full=Amphiphysin-like protein; Al" 97.06 588 100.00 100.00 1.58e-09 TPG DAA32871 "TPA: bridging integrator 1 [Bos taurus]" 97.06 433 100.00 100.00 3.72e-11 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 Human 9606 Eukaryota Metazoa Homo sapiens 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 $entity 'recombinant technology' . Escherichia coli . BL21 petSUMO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details 'in DPC micelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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' 0 . M pH 7.4 . 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 water H 1 protons ppm 4.700 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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 '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-1H NOESY' 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 'BARpeptide (1-33)' _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 2 2 ALA H H 8.685 0.005 1 2 2 2 ALA HA H 4.248 0.005 1 3 2 2 ALA HB H 1.319 0.005 1 4 2 2 ALA N N 126.556 0.020 1 5 3 3 GLU H H 8.498 0.005 1 6 3 3 GLU HA H 4.176 0.005 1 7 3 3 GLU HB2 H 1.881 0.005 2 8 3 3 GLU HB3 H 1.974 0.005 2 9 3 3 GLU HG2 H 2.197 0.005 2 10 3 3 GLU HG3 H 2.198 0.005 2 11 3 3 GLU N N 120.184 0.020 1 12 4 4 MET H H 8.508 0.005 1 13 4 4 MET HA H 4.392 0.005 1 14 4 4 MET HB2 H 1.968 0.005 2 15 4 4 MET HB3 H 1.985 0.005 2 16 4 4 MET HG2 H 2.469 0.005 2 17 4 4 MET HG3 H 2.562 0.005 2 18 4 4 MET N N 121.618 0.020 1 19 5 5 GLY H H 8.426 0.005 1 20 5 5 GLY HA2 H 3.909 0.005 2 21 5 5 GLY HA3 H 3.908 0.005 2 22 5 5 GLY N N 109.499 0.020 1 23 6 6 SER H H 8.267 0.005 1 24 6 6 SER HA H 4.339 0.005 1 25 6 6 SER HB2 H 3.786 0.005 2 26 6 6 SER HB3 H 3.878 0.005 2 27 6 6 SER N N 115.882 0.020 1 28 7 7 LYS H H 8.386 0.005 1 29 7 7 LYS HA H 4.225 0.005 1 30 7 7 LYS HB2 H 1.758 0.005 2 31 7 7 LYS HB3 H 1.774 0.005 2 32 7 7 LYS HD2 H 1.608 0.005 2 33 7 7 LYS HD3 H 1.609 0.005 2 34 7 7 LYS HE2 H 2.899 0.005 2 35 7 7 LYS HE3 H 2.899 0.005 2 36 7 7 LYS HG2 H 1.362 0.005 2 37 7 7 LYS HG3 H 1.463 0.005 2 38 7 7 LYS N N 122.478 0.020 1 39 8 8 GLY H H 8.296 0.005 1 40 8 8 GLY HA2 H 3.912 0.005 2 41 8 8 GLY HA3 H 3.856 0.005 2 42 8 8 GLY N N 108.556 0.020 1 43 9 9 VAL H H 8.036 0.005 1 44 9 9 VAL HA H 3.914 0.005 1 45 9 9 VAL HB H 2.067 0.005 1 46 9 9 VAL HG1 H 0.899 0.005 2 47 9 9 VAL HG2 H 0.881 0.005 2 48 9 9 VAL N N 120.540 0.020 1 49 10 10 THR H H 7.730 0.005 1 50 10 10 THR HA H 4.224 0.005 1 51 10 10 THR HB H 4.279 0.005 1 52 10 10 THR HG2 H 1.140 0.005 1 53 10 10 THR N N 116.338 0.020 1 54 11 11 ALA H H 8.781 0.005 1 55 11 11 ALA HA H 4.005 0.005 1 56 11 11 ALA HB H 1.380 0.005 1 57 11 11 ALA N N 124.559 0.020 1 58 12 12 GLY H H 8.442 0.005 1 59 12 12 GLY HA2 H 3.899 0.005 2 60 12 12 GLY HA3 H 3.765 0.005 2 61 12 12 GLY N N 105.667 0.020 1 62 13 13 LYS H H 7.926 0.005 1 63 13 13 LYS HA H 4.145 0.005 1 64 13 13 LYS HB2 H 1.833 0.005 2 65 13 13 LYS HB3 H 1.834 0.005 2 66 13 13 LYS HD2 H 1.628 0.005 2 67 13 13 LYS HD3 H 1.678 0.005 2 68 13 13 LYS HG2 H 1.369 0.005 2 69 13 13 LYS HG3 H 1.465 0.005 2 70 13 13 LYS N N 121.991 0.020 1 71 14 14 ILE H H 8.055 0.005 1 72 14 14 ILE HA H 3.764 0.005 1 73 14 14 ILE HB H 1.906 0.005 1 74 14 14 ILE HD1 H 0.808 0.005 1 75 14 14 ILE HG12 H 1.074 0.005 2 76 14 14 ILE HG13 H 1.664 0.005 2 77 14 14 ILE HG2 H 0.792 0.005 1 78 14 14 ILE N N 120.540 0.020 1 79 15 15 ALA H H 8.535 0.005 1 80 15 15 ALA HA H 3.920 0.005 1 81 15 15 ALA HB H 1.416 0.005 1 82 15 15 ALA N N 122.578 0.020 1 83 16 16 SER H H 8.154 0.005 1 84 16 16 SER HA H 4.185 0.005 1 85 16 16 SER HB2 H 3.910 0.005 2 86 16 16 SER HB3 H 3.911 0.005 2 87 16 16 SER N N 112.609 0.020 1 88 17 17 ASN H H 7.984 0.005 1 89 17 17 ASN HA H 4.457 0.005 1 90 17 17 ASN HB2 H 2.688 0.005 2 91 17 17 ASN HB3 H 2.879 0.005 2 92 17 17 ASN HD21 H 7.627 0.005 2 93 17 17 ASN HD22 H 7.073 0.005 2 94 17 17 ASN N N 120.008 0.020 1 95 17 17 ASN ND2 N 112.858 0.020 1 96 18 18 VAL H H 8.263 0.005 1 97 18 18 VAL HA H 3.569 0.005 1 98 18 18 VAL HB H 2.139 0.005 1 99 18 18 VAL HG1 H 0.971 0.005 2 100 18 18 VAL HG2 H 0.837 0.005 2 101 18 18 VAL N N 119.552 0.020 1 102 19 19 GLN H H 8.322 0.005 1 103 19 19 GLN HA H 3.822 0.005 1 104 19 19 GLN HB2 H 2.098 0.005 2 105 19 19 GLN HB3 H 2.193 0.005 2 106 19 19 GLN HE21 H 7.386 0.005 2 107 19 19 GLN HE22 H 6.720 0.005 2 108 19 19 GLN HG2 H 2.240 0.005 2 109 19 19 GLN HG3 H 2.335 0.005 2 110 19 19 GLN N N 119.489 0.020 1 111 19 19 GLN NE2 N 110.837 0.020 1 112 20 20 LYS H H 7.783 0.005 1 113 20 20 LYS HA H 4.042 0.005 1 114 20 20 LYS HB2 H 1.867 0.005 2 115 20 20 LYS HB3 H 1.868 0.005 2 116 20 20 LYS HD2 H 1.586 0.005 2 117 20 20 LYS HD3 H 1.587 0.005 2 118 20 20 LYS HG2 H 1.433 0.005 2 119 20 20 LYS HG3 H 1.449 0.005 2 120 20 20 LYS N N 117.865 0.020 1 121 21 21 LYS H H 7.735 0.005 1 122 21 21 LYS HA H 4.128 0.005 1 123 21 21 LYS HB2 H 1.832 0.005 2 124 21 21 LYS HB3 H 1.913 0.005 2 125 21 21 LYS HE2 H 2.893 0.005 2 126 21 21 LYS HE3 H 2.893 0.005 2 127 21 21 LYS HG2 H 1.500 0.005 2 128 21 21 LYS HG3 H 1.501 0.005 2 129 21 21 LYS N N 118.498 0.020 1 130 22 22 LEU H H 7.962 0.005 1 131 22 22 LEU HA H 4.214 0.005 1 132 22 22 LEU HB2 H 1.556 0.005 2 133 22 22 LEU HB3 H 1.812 0.005 2 134 22 22 LEU HD1 H 0.773 0.005 2 135 22 22 LEU HD2 H 0.763 0.005 2 136 22 22 LEU HG H 1.643 0.005 1 137 22 22 LEU N N 118.736 0.020 1 138 23 23 THR H H 8.124 0.005 1 139 23 23 THR HA H 4.109 0.005 1 140 23 23 THR HB H 4.309 0.005 1 141 23 23 THR HG2 H 1.211 0.005 1 142 23 23 THR N N 114.112 0.020 1 143 24 24 ARG H H 7.735 0.005 1 144 24 24 ARG HA H 4.129 0.005 1 145 24 24 ARG HB2 H 1.857 0.005 2 146 24 24 ARG HB3 H 1.868 0.005 2 147 24 24 ARG HD2 H 3.158 0.005 2 148 24 24 ARG HD3 H 3.222 0.005 2 149 24 24 ARG HE H 7.381 0.005 1 150 24 24 ARG HG2 H 1.673 0.005 2 151 24 24 ARG HG3 H 1.684 0.005 2 152 24 24 ARG N N 118.498 0.020 1 153 24 24 ARG NE N 107.799 0.020 1 154 25 25 ALA H H 8.158 0.005 1 155 25 25 ALA HA H 4.016 0.005 1 156 25 25 ALA HB H 1.400 0.005 1 157 25 25 ALA N N 121.452 0.020 1 158 26 26 GLN H H 8.083 0.005 1 159 26 26 GLN HA H 3.853 0.005 1 160 26 26 GLN HB2 H 2.083 0.005 2 161 26 26 GLN HB3 H 2.202 0.005 2 162 26 26 GLN HE21 H 7.059 0.005 2 163 26 26 GLN HE22 H 6.676 0.005 2 164 26 26 GLN HG2 H 2.226 0.005 2 165 26 26 GLN HG3 H 2.295 0.005 2 166 26 26 GLN N N 117.222 0.020 1 167 26 26 GLN NE2 N 108.774 0.020 1 168 27 27 GLU H H 8.091 0.005 1 169 27 27 GLU HA H 3.900 0.005 1 170 27 27 GLU HB2 H 2.011 0.005 2 171 27 27 GLU HB3 H 2.121 0.005 2 172 27 27 GLU HG2 H 2.350 0.005 2 173 27 27 GLU HG3 H 2.351 0.005 2 174 27 27 GLU N N 118.736 0.020 1 175 28 28 LYS H H 7.873 0.005 1 176 28 28 LYS HA H 4.053 0.005 1 177 28 28 LYS HB2 H 1.799 0.005 2 178 28 28 LYS HB3 H 1.874 0.005 2 179 28 28 LYS HD2 H 1.605 0.005 2 180 28 28 LYS HD3 H 1.606 0.005 2 181 28 28 LYS HE2 H 2.892 0.005 2 182 28 28 LYS HE3 H 2.892 0.005 2 183 28 28 LYS HG2 H 1.455 0.005 2 184 28 28 LYS HG3 H 1.456 0.005 2 185 28 28 LYS N N 117.876 0.020 1 186 29 29 VAL H H 7.824 0.005 1 187 29 29 VAL HA H 3.659 0.005 1 188 29 29 VAL HB H 2.114 0.005 1 189 29 29 VAL HG1 H 0.978 0.005 2 190 29 29 VAL HG2 H 0.865 0.005 2 191 29 29 VAL N N 118.301 0.020 1 192 30 30 LEU H H 8.016 0.005 1 193 30 30 LEU HA H 4.021 0.005 1 194 30 30 LEU HB2 H 1.553 0.005 2 195 30 30 LEU HB3 H 1.774 0.005 2 196 30 30 LEU HD1 H 0.857 0.005 2 197 30 30 LEU HD2 H 0.836 0.005 2 198 30 30 LEU N N 119.386 0.020 1 199 31 31 GLN H H 7.797 0.005 1 200 31 31 GLN HA H 4.049 0.005 1 201 31 31 GLN HB2 H 2.067 0.005 2 202 31 31 GLN HB3 H 2.068 0.005 2 203 31 31 GLN HE21 H 7.475 0.005 2 204 31 31 GLN HE22 H 6.761 0.005 2 205 31 31 GLN HG2 H 2.366 0.005 2 206 31 31 GLN HG3 H 2.478 0.005 2 207 31 31 GLN N N 116.048 0.020 1 208 31 31 GLN NE2 N 111.736 0.020 1 209 32 32 LYS H H 7.636 0.005 1 210 32 32 LYS HA H 4.212 0.005 1 211 32 32 LYS HB2 H 1.839 0.005 2 212 32 32 LYS HB3 H 1.840 0.005 2 213 32 32 LYS HD2 H 1.630 0.005 2 214 32 32 LYS HD3 H 1.634 0.005 2 215 32 32 LYS HE2 H 2.897 0.005 2 216 32 32 LYS HE3 H 2.897 0.005 2 217 32 32 LYS HG2 H 1.452 0.005 2 218 32 32 LYS HG3 H 1.453 0.005 2 219 32 32 LYS N N 117.243 0.020 1 220 33 33 LEU H H 7.710 0.005 1 221 33 33 LEU HA H 4.139 0.005 1 222 33 33 LEU HB2 H 1.331 0.005 2 223 33 33 LEU HB3 H 1.625 0.005 2 224 33 33 LEU HD1 H 0.829 0.005 2 225 33 33 LEU HD2 H 0.733 0.005 2 226 33 33 LEU HG H 1.624 0.005 1 227 33 33 LEU N N 118.498 0.020 1 228 34 34 TYR H H 7.270 0.005 1 229 34 34 TYR HA H 4.306 0.005 1 230 34 34 TYR HB2 H 2.782 0.005 2 231 34 34 TYR HB3 H 2.982 0.005 2 232 34 34 TYR HD1 H 7.030 0.005 3 233 34 34 TYR HD2 H 7.030 0.005 3 234 34 34 TYR HE1 H 6.681 0.005 3 235 34 34 TYR HE2 H 6.681 0.005 3 236 34 34 TYR N N 121.089 0.020 1 stop_ save_