data_19429 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A bacteriophage transcription regulator inhibits bacterial transcription initiation by -factor displacement ; _BMRB_accession_number 19429 _BMRB_flat_file_name bmr19429.str _Entry_type original _Submission_date 2013-08-15 _Accession_date 2013-08-15 _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 Liu Bing . . 2 Shadrin Andrey . . 3 Sheppard Carol . . 4 Xu Yingqi . . 5 Severinov Konstantin . . 6 Matthews Steve . . 7 Wigneshweraraj Sivaramesh . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 386 "13C chemical shifts" 289 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-02 update BMRB 'update entry citation' 2014-02-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19428 'A bacteriophage transcription regulator' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A bacteriophage transcription regulator inhibits bacterial transcription initiation by -factor displacement.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24482445 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Bing . . 2 Shadrin Andrey . . 3 Sheppard Carol . . 4 Mekler Vladimir . . 5 Xu Yingqi . . 6 Severinov Konstantin . . 7 Matthews Steve . . 8 Wigneshweraraj Sivaramesh . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 42 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4294 _Page_last 4305 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'bacteriophage transcription regulator complex with p7 peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 8189.045 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 67 _Mol_residue_sequence ; NEFTQISGYVNAFGSQRGSV LTVKVENDEGWTLVEEDFDR ADYGSDPEFVAEVSSYLKRN GGIKDLT ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 GLU 3 PHE 4 THR 5 GLN 6 ILE 7 SER 8 GLY 9 TYR 10 VAL 11 ASN 12 ALA 13 PHE 14 GLY 15 SER 16 GLN 17 ARG 18 GLY 19 SER 20 VAL 21 LEU 22 THR 23 VAL 24 LYS 25 VAL 26 GLU 27 ASN 28 ASP 29 GLU 30 GLY 31 TRP 32 THR 33 LEU 34 VAL 35 GLU 36 GLU 37 ASP 38 PHE 39 ASP 40 ARG 41 ALA 42 ASP 43 TYR 44 GLY 45 SER 46 ASP 47 PRO 48 GLU 49 PHE 50 VAL 51 ALA 52 GLU 53 VAL 54 SER 55 SER 56 TYR 57 LEU 58 LYS 59 ARG 60 ASN 61 GLY 62 GLY 63 ILE 64 LYS 65 ASP 66 LEU 67 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-09 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 19428 entity 100.00 71 100.00 100.00 6.09e-40 PDB 2MC5 "A Bacteriophage Transcription Regulator Inhibits Bacterial Transcription Initiation By -factor Displacement" 100.00 73 100.00 100.00 6.08e-40 PDB 2MC6 "A Bacteriophage Transcription Regulator Inhibits Bacterial Transcription Initiation By Sigma-factor Displacement" 100.00 73 100.00 100.00 6.08e-40 GB AAM74072 "RNA polymerase inhibitor p7 [Xanthomonas phage Xp10]" 100.00 73 100.00 100.00 6.08e-40 GB AAP58713 "45L [Xanthomonas phage Xp10]" 100.00 73 100.00 100.00 6.08e-40 REF NP_858993 "7K protein; inhibitor of transcription initiation and antiterminator [Xanthomonas phage Xp10]" 100.00 73 100.00 100.00 6.08e-40 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1236.468 _Mol_thiol_state 'not present' _Details . _Residue_count 8 _Mol_residue_sequence DLLNLFNQ loop_ _Residue_seq_code _Residue_label 1 ASP 2 LEU 3 LEU 4 ASN 5 LEU 6 PHE 7 ASN 8 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 'E. coli' 562 Bacteria . . . $entity_2 . . . . . . 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 'recombinant technology' . . . . pet46 $entity_2 '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 'sodium chloride' 5 mM 'natural abundance' 'potassium phosphate' 5 mM 'natural abundance' $entity_1 5 mM 'natural abundance' $entity_2 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 5 mM 'natural abundance' 'potassium phosphate' 5 mM 'natural abundance' $entity_1 5 mM 'natural abundance' $entity_2 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 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' 10 . mM pH 8.7 . pH pressure 1 . atm temperature 283 . 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 4.8 internal direct . . . 1.0 stop_ save_ save_chemical_shift_reference_2 _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 4.8 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_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '3D HNCACB' 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 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 ASN H H 7.479 . . 2 1 1 ASN HA H 4.413 . . 3 1 1 ASN HB2 H 2.432 . . 4 1 1 ASN HB3 H 2.432 . . 5 1 1 ASN HD21 H 7.45 . . 6 1 1 ASN HD22 H 7.45 . . 7 1 1 ASN C C 174.587 . . 8 1 1 ASN CA C 52.858 . . 9 1 1 ASN CB C 38.632 . . 10 1 1 ASN N N 113.128 . . 11 1 1 ASN ND2 N 113.335 . . 12 2 2 GLU H H 8.232 . . 13 2 2 GLU HA H 4.133 . . 14 2 2 GLU HB2 H 1.681 . . 15 2 2 GLU HB3 H 1.831 . . 16 2 2 GLU HG2 H 2.018 . . 17 2 2 GLU HG3 H 2.018 . . 18 2 2 GLU C C 175.846 . . 19 2 2 GLU CA C 55.900 . . 20 2 2 GLU CB C 30.399 . . 21 2 2 GLU CG C 36.283 . . 22 2 2 GLU N N 121.946 . . 23 3 3 PHE H H 8.684 . . 24 3 3 PHE HA H 4.473 . . 25 3 3 PHE HB2 H 2.747 . . 26 3 3 PHE HB3 H 4.473 . . 27 3 3 PHE HD1 H 6.796 . . 28 3 3 PHE HD2 H 6.796 . . 29 3 3 PHE HE1 H 6.991 . . 30 3 3 PHE HE2 H 6.991 . . 31 3 3 PHE HZ H 6.547 . . 32 3 3 PHE C C 176.091 . . 33 3 3 PHE CA C 58.001 . . 34 3 3 PHE CB C 40.910 . . 35 3 3 PHE CD1 C 131.394 . . 36 3 3 PHE CD2 C 131.394 . . 37 3 3 PHE CE1 C 130.847 . . 38 3 3 PHE CE2 C 130.847 . . 39 3 3 PHE CZ C 130.301 . . 40 3 3 PHE N N 121.83 . . 41 4 4 THR H H 9.003 . . 42 4 4 THR HA H 4.525 . . 43 4 4 THR HB H 3.807 . . 44 4 4 THR HG2 H 1.138 . . 45 4 4 THR C C 173.064 . . 46 4 4 THR CA C 60.998 . . 47 4 4 THR CB C 71.506 . . 48 4 4 THR CG2 C 21.230 . . 49 4 4 THR N N 116.472 . . 50 5 5 GLN H H 8.979 . . 51 5 5 GLN HA H 3.546 . . 52 5 5 GLN HB2 H 1.718 . . 53 5 5 GLN HB3 H 1.718 . . 54 5 5 GLN HG2 H 1.472 . . 55 5 5 GLN HG3 H 1.925 . . 56 5 5 GLN C C 175.376 . . 57 5 5 GLN CA C 57.298 . . 58 5 5 GLN CB C 28.771 . . 59 5 5 GLN CG C 32.850 . . 60 5 5 GLN N N 127.991 . . 61 6 6 ILE H H 8.121 . . 62 6 6 ILE HA H 3.497 . . 63 6 6 ILE HB H 0.866 . . 64 6 6 ILE HG12 H 0.312 . . 65 6 6 ILE HG13 H 1.000 . . 66 6 6 ILE HG2 H 0.145 . . 67 6 6 ILE HD1 H -0.060 . . 68 6 6 ILE C C 175.226 . . 69 6 6 ILE CA C 61.695 . . 70 6 6 ILE CB C 37.130 . . 71 6 6 ILE CG1 C 27.964 . . 72 6 6 ILE CG2 C 16.406 . . 73 6 6 ILE CD1 C 12.584 . . 74 6 6 ILE N N 129.683 . . 75 7 7 SER H H 8.453 . . 76 7 7 SER HA H 3.881 . . 77 7 7 SER HB2 H 3.532 . . 78 7 7 SER HB3 H 3.682 . . 79 7 7 SER C C 174.662 . . 80 7 7 SER CA C 60.176 . . 81 7 7 SER CB C 63.054 . . 82 7 7 SER N N 122.732 . . 83 8 8 GLY H H 8.476 . . 84 8 8 GLY HA2 H 3.317 . . 85 8 8 GLY HA3 H 4.028 . . 86 8 8 GLY C C 174.286 . . 87 8 8 GLY CA C 44.635 . . 88 8 8 GLY N N 112.130 . . 89 9 9 TYR H H 8.208 . . 90 9 9 TYR HA H 4.916 . . 91 9 9 TYR HB2 H 2.518 . . 92 9 9 TYR HB3 H 2.681 . . 93 9 9 TYR HD1 H 6.449 . . 94 9 9 TYR HD2 H 6.455 . . 95 9 9 TYR HE1 H 6.254 . . 96 9 9 TYR HE2 H 6.260 . . 97 9 9 TYR C C 175.320 . . 98 9 9 TYR CA C 57.463 . . 99 9 9 TYR CB C 42.625 . . 100 9 9 TYR CD1 C 132.979 . . 101 9 9 TYR CD2 C 132.979 . . 102 9 9 TYR CE1 C 117.717 . . 103 9 9 TYR CE2 C 117.717 . . 104 9 9 TYR N N 119.078 . . 105 10 10 VAL H H 8.546 . . 106 10 10 VAL HA H 3.856 . . 107 10 10 VAL HB H 1.777 . . 108 10 10 VAL HG1 H 0.668 . . 109 10 10 VAL HG2 H 0.668 . . 110 10 10 VAL C C 176.655 . . 111 10 10 VAL CA C 62.890 . . 112 10 10 VAL CB C 32.794 . . 113 10 10 VAL CG1 C 20.764 . . 114 10 10 VAL CG2 C 20.582 . . 115 10 10 VAL N N 115.648 . . 116 11 11 ASN H H 7.89 . . 117 11 11 ASN HA H 4.769 . . 118 11 11 ASN HB2 H 2.396 . . 119 11 11 ASN HB3 H 3.547 . . 120 11 11 ASN C C 172.594 . . 121 11 11 ASN CA C 52.334 . . 122 11 11 ASN CB C 38.386 . . 123 11 11 ASN N N 116.0 . . 124 12 12 ALA H H 6.211 . . 125 12 12 ALA HA H 5.378 . . 126 12 12 ALA HB H 0.577 . . 127 12 12 ALA C C 174.718 . . 128 12 12 ALA CA C 49.135 . . 129 12 12 ALA CB C 23.174 . . 130 12 12 ALA N N 118.357 . . 131 13 13 PHE H H 8.840 . . 132 13 13 PHE HA H 4.952 . . 133 13 13 PHE HB2 H 2.259 . . 134 13 13 PHE HB3 H 2.719 . . 135 13 13 PHE HD1 H 6.569 . . 136 13 13 PHE HD2 H 6.544 . . 137 13 13 PHE HE1 H 6.975 . . 138 13 13 PHE HE2 H 6.975 . . 139 13 13 PHE C C 174.061 . . 140 13 13 PHE CA C 56.282 . . 141 13 13 PHE CB C 44.017 . . 142 13 13 PHE CD1 C 131.385 . . 143 13 13 PHE CD2 C 131.385 . . 144 13 13 PHE CE1 C 131.385 . . 145 13 13 PHE CE2 C 131.385 . . 146 13 13 PHE N N 119.783 . . 147 14 14 GLY H H 9.554 . . 148 14 14 GLY HA2 H 3.136 . . 149 14 14 GLY HA3 H 6.033 . . 150 14 14 GLY C C 171.561 . . 151 14 14 GLY CA C 44.388 . . 152 14 14 GLY N N 106.941 . . 153 15 15 SER H H 8.554 . . 154 15 15 SER HA H 4.271 . . 155 15 15 SER HB2 H 1.933 . . 156 15 15 SER HB3 H 2.298 . . 157 15 15 SER C C 172.594 . . 158 15 15 SER CA C 56.476 . . 159 15 15 SER CB C 63.876 . . 160 15 15 SER N N 115.691 . . 161 16 16 GLN H H 9.054 . . 162 16 16 GLN HA H 5.214 . . 163 16 16 GLN HB2 H 1.652 . . 164 16 16 GLN HB3 H 1.652 . . 165 16 16 GLN HG2 H 1.925 . . 166 16 16 GLN HG3 H 2.072 . . 167 16 16 GLN C C 174.606 . . 168 16 16 GLN CA C 54.091 . . 169 16 16 GLN CB C 30 . . 170 16 16 GLN CG C 33.060 . . 171 16 16 GLN N N 130.200 . . 172 17 17 ARG H H 8.631 . . 173 17 17 ARG HA H 4.264 . . 174 17 17 ARG HB2 H 1.492 . . 175 17 17 ARG HB3 H 1.492 . . 176 17 17 ARG HG2 H 1.303 . . 177 17 17 ARG HG3 H 1.303 . . 178 17 17 ARG HD2 H 2.927 . . 179 17 17 ARG HD3 H 2.927 . . 180 17 17 ARG C C 176.072 . . 181 17 17 ARG CA C 55.571 . . 182 17 17 ARG CB C 31.314 . . 183 17 17 ARG CG C 26.963 . . 184 17 17 ARG CD C 43.162 . . 185 17 17 ARG N N 128.075 . . 186 20 20 VAL HA H 4.298 . . 187 20 20 VAL HB H 2.061 . . 188 20 20 VAL HG1 H 0.679 . . 189 20 20 VAL HG2 H 0.530 . . 190 20 20 VAL C C 175.264 . . 191 20 20 VAL CA C 62.394 . . 192 20 20 VAL CB C 32.211 . . 193 20 20 VAL CG1 C 21.701 . . 194 20 20 VAL CG2 C 21.685 . . 195 21 21 LEU H H 9.392 . . 196 21 21 LEU HA H 4.806 . . 197 21 21 LEU HB2 H 1.267 . . 198 21 21 LEU HB3 H 2.278 . . 199 21 21 LEU HG H 1.256 . . 200 21 21 LEU HD1 H 0.593 . . 201 21 21 LEU HD2 H 0.593 . . 202 21 21 LEU C C 175.282 . . 203 21 21 LEU CA C 52.529 . . 204 21 21 LEU CB C 45.387 . . 205 21 21 LEU CG C 26.653 . . 206 21 21 LEU CD1 C 23.072 . . 207 21 21 LEU CD2 C 26.727 . . 208 21 21 LEU N N 131.672 . . 209 22 22 THR H H 9.316 . . 210 22 22 THR HA H 5.075 . . 211 22 22 THR HB H 3.663 . . 212 22 22 THR HG2 H 1.187 . . 213 22 22 THR C C 174.173 . . 214 22 22 THR CA C 62.478 . . 215 22 22 THR CB C 69.715 . . 216 22 22 THR CG2 C 21.958 . . 217 22 22 THR N N 128.008 . . 218 23 23 VAL H H 9.420 . . 219 23 23 VAL HA H 5.215 . . 220 23 23 VAL HB H 1.812 . . 221 23 23 VAL HG1 H 0.662 . . 222 23 23 VAL HG2 H 0.532 . . 223 23 23 VAL C C 173.591 . . 224 23 23 VAL CA C 59.683 . . 225 23 23 VAL CB C 33.863 . . 226 23 23 VAL CG1 C 21.958 . . 227 23 23 VAL CG2 C 20.775 . . 228 23 23 VAL N N 124.543 . . 229 24 24 LYS H H 9.055 . . 230 24 24 LYS HA H 5.323 . . 231 24 24 LYS HB2 H 1.330 . . 232 24 24 LYS HB3 H 1.468 . . 233 24 24 LYS HG2 H 0.781 . . 234 24 24 LYS HG3 H 0.859 . . 235 24 24 LYS C C 174.380 . . 236 24 24 LYS CA C 53.845 . . 237 24 24 LYS CB C 36.888 . . 238 24 24 LYS CG C 24.870 . . 239 24 24 LYS CD C 29.238 . . 240 24 24 LYS CE C 40.523 . . 241 24 24 LYS N N 121.097 . . 242 25 25 VAL H H 7.928 . . 243 25 25 VAL HA H 4.757 . . 244 25 25 VAL HB H 1.653 . . 245 25 25 VAL HG1 H 0.646 . . 246 25 25 VAL HG2 H 0.401 . . 247 25 25 VAL C C 175.489 . . 248 25 25 VAL CA C 60.834 . . 249 25 25 VAL CB C 34.110 . . 250 25 25 VAL CG1 C 21.230 . . 251 25 25 VAL CG2 C 21.230 . . 252 25 25 VAL N N 121.353 . . 253 26 26 GLU H H 8.452 . . 254 26 26 GLU HA H 5.137 . . 255 26 26 GLU HB2 H 1.810 . . 256 26 26 GLU HB3 H 1.810 . . 257 26 26 GLU HG2 H 1.597 . . 258 26 26 GLU HG3 H 1.729 . . 259 26 26 GLU C C 176.410 . . 260 26 26 GLU CA C 54.091 . . 261 26 26 GLU CB C 34.028 . . 262 26 26 GLU CG C 36.063 . . 263 26 26 GLU N N 125.028 . . 264 27 27 ASN H H 8.340 . . 265 27 27 ASN HA H 4.813 . . 266 27 27 ASN HB2 H 2.625 . . 267 27 27 ASN HB3 H 3.439 . . 268 27 27 ASN C C 176.937 . . 269 27 27 ASN CA C 50.473 . . 270 27 27 ASN CB C 38.386 . . 271 27 27 ASN N N 117.752 . . 272 28 28 ASP H H 8.394 . . 273 28 28 ASP HA H 4.178 . . 274 28 28 ASP HB2 H 2.504 . . 275 28 28 ASP HB3 H 2.504 . . 276 28 28 ASP C C 176.579 . . 277 28 28 ASP CA C 55.982 . . 278 28 28 ASP CB C 39.866 . . 279 28 28 ASP N N 118.006 . . 280 29 29 GLU H H 7.431 . . 281 29 29 GLU HA H 4.093 . . 282 29 29 GLU HB2 H 1.531 . . 283 29 29 GLU HB3 H 1.924 . . 284 29 29 GLU HG2 H 1.932 . . 285 29 29 GLU HG3 H 1.932 . . 286 29 29 GLU C C 176.279 . . 287 29 29 GLU CA C 55.818 . . 288 29 29 GLU CB C 30.052 . . 289 29 29 GLU CG C 36.518 . . 290 29 29 GLU N N 117.057 . . 291 30 30 GLY H H 7.818 . . 292 30 30 GLY HA2 H 3.496 . . 293 30 30 GLY HA3 H 3.855 . . 294 30 30 GLY C C 173.327 . . 295 30 30 GLY CA C 45.905 . . 296 30 30 GLY N N 107.446 . . 297 31 31 TRP H H 7.788 . . 298 31 31 TRP HA H 4.477 . . 299 31 31 TRP HB2 H 2.803 . . 300 31 31 TRP HB3 H 2.990 . . 301 31 31 TRP HD1 H 6.813 . . 302 31 31 TRP HE3 H 7.398 . . 303 31 31 TRP HZ3 H 6.894 . . 304 31 31 TRP C C 175.978 . . 305 31 31 TRP CA C 55.407 . . 306 31 31 TRP CB C 29.623 . . 307 31 31 TRP CD1 C 127.02 . . 308 31 31 TRP CE3 C 121.006 . . 309 31 31 TRP CZ3 C 121.990 . . 310 31 31 TRP N N 121.760 . . 311 32 32 THR H H 8.365 . . 312 32 32 THR HA H 3.707 . . 313 32 32 THR HB H 3.635 . . 314 32 32 THR HG2 H 0.764 . . 315 32 32 THR C C 173.797 . . 316 32 32 THR CA C 64.687 . . 317 32 32 THR CB C 69.4925 . . 318 32 32 THR CG2 C 22.432 . . 319 32 32 THR N N 120.652 . . 320 33 33 LEU H H 9.319 . . 321 33 33 LEU HA H 4.178 . . 322 33 33 LEU HB2 H 1.417 . . 323 33 33 LEU HB3 H 1.417 . . 324 33 33 LEU HG H 1.456 . . 325 33 33 LEU HD1 H 0.738 . . 326 33 33 LEU HD2 H 0.676 . . 327 33 33 LEU C C 177.049 . . 328 33 33 LEU CA C 56.229 . . 329 33 33 LEU CB C 42.811 . . 330 33 33 LEU CG C 26.545 . . 331 33 33 LEU CD1 C 24.717 . . 332 33 33 LEU CD2 C 22.432 . . 333 33 33 LEU N N 129.342 . . 334 34 34 VAL H H 7.089 . . 335 34 34 VAL HA H 4.318 . . 336 34 34 VAL HB H 2.092 . . 337 34 34 VAL HG1 H 0.676 . . 338 34 34 VAL HG2 H 0.676 . . 339 34 34 VAL C C 172.406 . . 340 34 34 VAL CA C 59.836 . . 341 34 34 VAL CB C 35.500 . . 342 34 34 VAL CG1 C 21.518 . . 343 34 34 VAL CG2 C 19.782 . . 344 34 34 VAL N N 111.835 . . 345 35 35 GLU H H 7.798 . . 346 35 35 GLU HA H 5.253 . . 347 35 35 GLU HB2 H 1.606 . . 348 35 35 GLU HB3 H 1.644 . . 349 35 35 GLU HG2 H 1.787 . . 350 35 35 GLU HG3 H 1.784 . . 351 35 35 GLU C C 174.136 . . 352 35 35 GLU CA C 55.240 . . 353 35 35 GLU CB C 33.216 . . 354 35 35 GLU CG C 36.049 . . 355 35 35 GLU N N 121.823 . . 356 36 36 GLU H H 8.689 . . 357 36 36 GLU HA H 4.294 . . 358 36 36 GLU HB2 H 0.885 . . 359 36 36 GLU HB3 H 1.686 . . 360 36 36 GLU HG2 H 1.240 . . 361 36 36 GLU HG3 H 1.240 . . 362 36 36 GLU C C 172.406 . . 363 36 36 GLU CA C 54.914 . . 364 36 36 GLU CB C 33.342 . . 365 36 36 GLU CG C 36.275 . . 366 36 36 GLU N N 125.497 . . 367 37 37 ASP H H 8.462 . . 368 37 37 ASP HA H 5.131 . . 369 37 37 ASP HB2 H 2.055 . . 370 37 37 ASP HB3 H 2.242 . . 371 37 37 ASP C C 175.602 . . 372 37 37 ASP CA C 53.022 . . 373 37 37 ASP CB C 42.643 . . 374 37 37 ASP N N 123.653 . . 375 38 38 PHE H H 8.993 . . 376 38 38 PHE HA H 4.364 . . 377 38 38 PHE HB2 H 2.530 . . 378 38 38 PHE HB3 H 2.776 . . 379 38 38 PHE HD1 H 6.875 . . 380 38 38 PHE HD2 H 6.875 . . 381 38 38 PHE HE1 H 6.439 . . 382 38 38 PHE HE2 H 6.439 . . 383 38 38 PHE HZ H 6.098 . . 384 38 38 PHE C C 173.327 . . 385 38 38 PHE CA C 56.969 . . 386 38 38 PHE CB C 42.250 . . 387 38 38 PHE CD1 C 131.941 . . 388 38 38 PHE CD2 C 131.941 . . 389 38 38 PHE CE1 C 130.301 . . 390 38 38 PHE CE2 C 130.301 . . 391 38 38 PHE CZ C 129.754 . . 392 38 38 PHE N N 120.897 . . 393 39 39 ASP H H 9.469 . . 394 39 39 ASP HA H 4.991 . . 395 39 39 ASP HB2 H 2.251 . . 396 39 39 ASP HB3 H 3.027 . . 397 39 39 ASP CA C 52.118 . . 398 39 39 ASP CB C 41.564 . . 399 39 39 ASP N N 125.543 . . 400 40 40 ARG H H 9.312 . . 401 40 40 ARG HA H 4.133 . . 402 40 40 ARG C C 177.613 . . 403 40 40 ARG CA C 57.298 . . 404 40 40 ARG CB C 28.518 . . 405 40 40 ARG N N 128.148 . . 406 41 41 ALA H H 8.665 . . 407 41 41 ALA HA H 4.037 . . 408 41 41 ALA HB H 1.122 . . 409 41 41 ALA C C 178.196 . . 410 41 41 ALA CA C 53.762 . . 411 41 41 ALA CB C 17.993 . . 412 41 41 ALA N N 121.948 . . 413 42 42 ASP H H 7.815 . . 414 42 42 ASP HA H 4.290 . . 415 42 42 ASP HB2 H 2.307 . . 416 42 42 ASP HB3 H 2.560 . . 417 42 42 ASP C C 174.512 . . 418 42 42 ASP CA C 54.749 . . 419 42 42 ASP CB C 40.030 . . 420 42 42 ASP N N 116.451 . . 421 43 43 TYR H H 7.522 . . 422 43 43 TYR HA H 4.487 . . 423 43 43 TYR HB2 H 2.616 . . 424 43 43 TYR HB3 H 3.010 . . 425 43 43 TYR HD1 H 7.251 . . 426 43 43 TYR HD2 H 7.251 . . 427 43 43 TYR HE1 H 6.764 . . 428 43 43 TYR HE2 H 6.764 . . 429 43 43 TYR C C 175.508 . . 430 43 43 TYR CA C 57.463 . . 431 43 43 TYR CB C 41.922 . . 432 43 43 TYR CD1 C 134.128 . . 433 43 43 TYR CD2 C 134.128 . . 434 43 43 TYR CE1 C 118.219 . . 435 43 43 TYR CE2 C 118.219 . . 436 43 43 TYR N N 117.665 . . 437 44 44 GLY H H 8.967 . . 438 44 44 GLY HA2 H 3.682 . . 439 44 44 GLY HA3 H 4.000 . . 440 44 44 GLY C C 173.985 . . 441 44 44 GLY CA C 45.540 . . 442 44 44 GLY N N 106.710 . . 443 45 45 SER H H 7.336 . . 444 45 45 SER HA H 4.427 . . 445 45 45 SER HB2 H 3.783 . . 446 45 45 SER HB3 H 3.972 . . 447 45 45 SER C C 173.139 . . 448 45 45 SER CA C 57.433 . . 449 45 45 SER CB C 65.130 . . 450 45 45 SER N N 110.233 . . 451 46 46 ASP H H 9.235 . . 452 46 46 ASP HA H 4.294 . . 453 46 46 ASP HB2 H 2.453 . . 454 46 46 ASP HB3 H 2.653 . . 455 46 46 ASP C C 175.226 . . 456 46 46 ASP CA C 57.8 . . 457 46 46 ASP CB C 37.15 . . 458 46 46 ASP N N 121.065 . . 459 47 47 PRO HA H 3.991 . . 460 47 47 PRO HB2 H 1.580 . . 461 47 47 PRO HB3 H 2.092 . . 462 47 47 PRO HG2 H 1.728 . . 463 47 47 PRO HG3 H 1.944 . . 464 47 47 PRO HD2 H 3.596 . . 465 47 47 PRO HD3 H 3.596 . . 466 47 47 PRO C C 179.625 . . 467 47 47 PRO CA C 65.603 . . 468 47 47 PRO CB C 30.574 . . 469 47 47 PRO CG C 27.733 . . 470 47 47 PRO CD C 49.939 . . 471 48 48 GLU H H 7.225 . . 472 48 48 GLU HA H 3.869 . . 473 48 48 GLU HB2 H 1.980 . . 474 48 48 GLU HB3 H 2.195 . . 475 48 48 GLU HG2 H 2.170 . . 476 48 48 GLU HG3 H 2.170 . . 477 48 48 GLU C C 177.839 . . 478 48 48 GLU CA C 59.272 . . 479 48 48 GLU CB C 30.821 . . 480 48 48 GLU CG C 37.511 . . 481 48 48 GLU N N 117.174 . . 482 49 49 PHE H H 7.378 . . 483 49 49 PHE HA H 3.054 . . 484 49 49 PHE HB2 H 2.563 . . 485 49 49 PHE HB3 H 2.564 . . 486 49 49 PHE HD1 H 6.723 . . 487 49 49 PHE HD2 H 6.723 . . 488 49 49 PHE HE1 H 7.251 . . 489 49 49 PHE HE2 H 7.251 . . 490 49 49 PHE C C 175.207 . . 491 49 49 PHE CA C 60.926 . . 492 49 49 PHE CB C 39.340 . . 493 49 49 PHE CD1 C 131.932 . . 494 49 49 PHE CD2 C 131.932 . . 495 49 49 PHE CE1 C 134.128 . . 496 49 49 PHE CE2 C 134.128 . . 497 49 49 PHE N N 120.987 . . 498 50 50 VAL H H 8.196 . . 499 50 50 VAL HA H 2.825 . . 500 50 50 VAL HB H 1.532 . . 501 50 50 VAL HG1 H 0.194 . . 502 50 50 VAL HG2 H 0.371 . . 503 50 50 VAL C C 178.873 . . 504 50 50 VAL CA C 65.850 . . 505 50 50 VAL CB C 31.561 . . 506 50 50 VAL CG1 C 23.596 . . 507 50 50 VAL CG2 C 20.229 . . 508 50 50 VAL N N 118.065 . . 509 51 51 ALA H H 8.174 . . 510 51 51 ALA HA H 3.841 . . 511 51 51 ALA HB H 1.251 . . 512 51 51 ALA C C 180.076 . . 513 51 51 ALA CA C 54.831 . . 514 51 51 ALA CB C 17.635 . . 515 51 51 ALA N N 123.161 . . 516 52 52 GLU H H 7.470 . . 517 52 52 GLU HA H 3.934 . . 518 52 52 GLU HB2 H 1.634 . . 519 52 52 GLU HB3 H 1.746 . . 520 52 52 GLU HG2 H 2.505 . . 521 52 52 GLU HG3 H 2.505 . . 522 52 52 GLU C C 179.155 . . 523 52 52 GLU CA C 59.189 . . 524 52 52 GLU CB C 28.436 . . 525 52 52 GLU CG C 34.952 . . 526 52 52 GLU N N 120.129 . . 527 53 53 VAL H H 7.512 . . 528 53 53 VAL HA H 2.350 . . 529 53 53 VAL HB H 1.336 . . 530 53 53 VAL HG1 H 0.075 . . 531 53 53 VAL HG2 H -0.750 . . 532 53 53 VAL C C 177.820 . . 533 53 53 VAL CA C 66.115 . . 534 53 53 VAL CB C 30.821 . . 535 53 53 VAL CG1 C 21.427 . . 536 53 53 VAL CG2 C 20.696 . . 537 53 53 VAL N N 120.587 . . 538 54 54 SER H H 8.549 . . 539 54 54 SER HA H 3.68 . . 540 54 54 SER HB2 H 3.53 . . 541 54 54 SER HB3 H 3.53 . . 542 54 54 SER C C 176.843 . . 543 54 54 SER CA C 62.094 . . 544 54 54 SER CB C 62.478 . . 545 54 54 SER N N 114.485 . . 546 55 55 SER H H 8.079 . . 547 55 55 SER HA H 4.019 . . 548 55 55 SER HB2 H 3.841 . . 549 55 55 SER HB3 H 3.823 . . 550 55 55 SER C C 176.279 . . 551 55 55 SER CA C 61.180 . . 552 55 55 SER CB C 62.276 . . 553 55 55 SER N N 119.035 . . 554 56 56 TYR H H 7.794 . . 555 56 56 TYR HA H 3.742 . . 556 56 56 TYR HB2 H 3.011 . . 557 56 56 TYR HB3 H 3.030 . . 558 56 56 TYR HD1 H 6.114 . . 559 56 56 TYR HD2 H 6.406 . . 560 56 56 TYR HE1 H 6.082 . . 561 56 56 TYR HE2 H 6.731 . . 562 56 56 TYR C C 178.384 . . 563 56 56 TYR CA C 61.840 . . 564 56 56 TYR CB C 37.928 . . 565 56 56 TYR CD1 C 129.754 . . 566 56 56 TYR CD2 C 129.754 . . 567 56 56 TYR N N 123.512 . . 568 57 57 LEU H H 8.389 . . 569 57 57 LEU HA H 3.345 . . 570 57 57 LEU HB2 H 0.449 . . 571 57 57 LEU HB3 H 1.709 . . 572 57 57 LEU HG H 1.490 . . 573 57 57 LEU HD1 H 0.165 . . 574 57 57 LEU HD2 H -0.455 . . 575 57 57 LEU C C 178.816 . . 576 57 57 LEU CA C 57.792 . . 577 57 57 LEU CB C 41.675 . . 578 57 57 LEU CG C 26.420 . . 579 57 57 LEU CD1 C 23.505 . . 580 57 57 LEU CD2 C 24.205 . . 581 57 57 LEU N N 119.571 . . 582 58 58 LYS H H 7.918 . . 583 58 58 LYS HA H 3.962 . . 584 58 58 LYS HB2 H 1.814 . . 585 58 58 LYS HB3 H 1.814 . . 586 58 58 LYS HG2 H 1.222 . . 587 58 58 LYS HG3 H 1.350 . . 588 58 58 LYS C C 179.380 . . 589 58 58 LYS CA C 58.987 . . 590 58 58 LYS CB C 32.054 . . 591 58 58 LYS CG C 24.443 . . 592 58 58 LYS CD C 29.012 . . 593 58 58 LYS CE C 41.806 . . 594 58 58 LYS N N 119.807 . . 595 59 59 ARG H H 7.609 . . 596 59 59 ARG HA H 4.035 . . 597 59 59 ARG HB2 H 1.581 . . 598 59 59 ARG HB3 H 1.581 . . 599 59 59 ARG HG2 H 1.364 . . 600 59 59 ARG HG3 H 1.364 . . 601 59 59 ARG HD2 H 2.946 . . 602 59 59 ARG HD3 H 2.946 . . 603 59 59 ARG C C 176.448 . . 604 59 59 ARG CA C 57.250 . . 605 59 59 ARG CB C 31.058 . . 606 59 59 ARG CG C 27.184 . . 607 59 59 ARG CD C 42.994 . . 608 59 59 ARG N N 116.243 . . 609 60 60 ASN H H 7.042 . . 610 60 60 ASN HA H 4.593 . . 611 60 60 ASN HB2 H 1.614 . . 612 60 60 ASN HB3 H 2.547 . . 613 60 60 ASN C C 173.572 . . 614 60 60 ASN CA C 53.269 . . 615 60 60 ASN CB C 39.208 . . 616 60 60 ASN N N 115.424 . . 617 61 61 GLY H H 7.223 . . 618 61 61 GLY HA2 H 3.458 . . 619 61 61 GLY HA3 H 3.860 . . 620 61 61 GLY C C 175.621 . . 621 61 61 GLY CA C 45.868 . . 622 61 61 GLY N N 103.144 . . 623 62 62 GLY H H 8.852 . . 624 62 62 GLY HA2 H 2.784 . . 625 62 62 GLY HA3 H 3.962 . . 626 62 62 GLY C C 172.688 . . 627 62 62 GLY CA C 45.287 . . 628 62 62 GLY N N 109.290 . . 629 63 63 ILE H H 9.762 . . 630 63 63 ILE HA H 4.112 . . 631 63 63 ILE HB H 1.391 . . 632 63 63 ILE HG12 H 0.866 . . 633 63 63 ILE HG13 H 0.866 . . 634 63 63 ILE HG2 H 0.686 . . 635 63 63 ILE HD1 H 0.622 . . 636 63 63 ILE C C 175.057 . . 637 63 63 ILE CA C 60.094 . . 638 63 63 ILE CB C 40.068 . . 639 63 63 ILE CG1 C 26.872 . . 640 63 63 ILE CG2 C 17.043 . . 641 63 63 ILE CD1 C 12.584 . . 642 63 63 ILE N N 131.206 . . 643 64 64 LYS H H 8.426 . . 644 64 64 LYS HA H 4.069 . . 645 64 64 LYS HB2 H 1.319 . . 646 64 64 LYS HB3 H 1.319 . . 647 64 64 LYS HG2 H 1.158 . . 648 64 64 LYS HG3 H 1.158 . . 649 64 64 LYS C C 175.752 . . 650 64 64 LYS CA C 55.625 . . 651 64 64 LYS CB C 32.684 . . 652 64 64 LYS CG C 25.052 . . 653 64 64 LYS CD C 28.510 . . 654 64 64 LYS CE C 41.524 . . 655 64 64 LYS N N 127.381 . . 656 65 65 ASP H H 7.809 . . 657 65 65 ASP HA H 4.122 . . 658 65 65 ASP HB2 H 1.884 . . 659 65 65 ASP HB3 H 2.268 . . 660 65 65 ASP C C 176.072 . . 661 65 65 ASP CA C 52.611 . . 662 65 65 ASP CB C 40.688 . . 663 65 65 ASP N N 121.111 . . 664 66 66 LEU H H 8.423 . . 665 66 66 LEU HA H 4.112 . . 666 66 66 LEU HB2 H 1.418 . . 667 66 66 LEU HB3 H 1.418 . . 668 66 66 LEU HG H 1.409 . . 669 66 66 LEU HD1 H 0.676 . . 670 66 66 LEU HD2 H 0.568 . . 671 66 66 LEU C C 177.782 . . 672 66 66 LEU CA C 54.996 . . 673 66 66 LEU CB C 41.001 . . 674 66 66 LEU CG C 26.690 . . 675 66 66 LEU CD1 C 24.534 . . 676 66 66 LEU CD2 C 22.341 . . 677 66 66 LEU N N 126.03 . . 678 67 67 THR H H 8.146 . . 679 67 67 THR HA H 3.902 . . 680 67 67 THR HB H 3.937 . . 681 67 67 THR HG2 H 0.996 . . 682 67 67 THR C C 174.831 . . 683 67 67 THR CA C 63.301 . . 684 67 67 THR CB C 69.221 . . 685 67 67 THR CG2 C 21.230 . . 686 67 67 THR N N 113.448 . . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '3D HNCACB' 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 entity_2 _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 ASP HA H 4.485 . . 2 2 2 LEU H H 9.057 . . 3 2 2 LEU HA H 3.893 . . 4 2 2 LEU HB2 H 1.505 . . 5 2 2 LEU HB3 H 1.505 . . 6 2 2 LEU HG H 1.505 . . 7 2 2 LEU HD1 H 0.516 . . 8 2 2 LEU HD2 H 0.138 . . 9 3 3 LEU H H 7.942 . . 10 3 3 LEU HA H 4.092 . . 11 3 3 LEU HB2 H 1.872 . . 12 3 3 LEU HB3 H 1.387 . . 13 3 3 LEU HG H 1.510 . . 14 3 3 LEU HD1 H 0.709 . . 15 3 3 LEU HD2 H 0.600 . . 16 3 3 LEU CA C 57.887 . . 17 3 3 LEU CB C 40.400 . . 18 3 3 LEU CG C 27.880 . . 19 3 3 LEU CD1 C 25.400 . . 20 3 3 LEU CD2 C 24.500 . . 21 3 3 LEU N N 117.944 . . 22 4 4 ASN H H 7.896 . . 23 4 4 ASN HA H 3.902 . . 24 4 4 ASN HB2 H 2.105 . . 25 4 4 ASN HB3 H 1.708 . . 26 5 5 LEU H H 7.188 . . 27 5 5 LEU HA H 3.770 . . 28 5 5 LEU HB2 H 1.517 . . 29 5 5 LEU HB3 H 0.812 . . 30 5 5 LEU HG H 1.630 . . 31 5 5 LEU HD1 H 0.611 . . 32 5 5 LEU HD2 H 0.551 . . 33 5 5 LEU CA C 56.560 . . 34 5 5 LEU CB C 41.000 . . 35 5 5 LEU CG C 26.400 . . 36 5 5 LEU CD1 C 26.000 . . 37 5 5 LEU CD2 C 22.060 . . 38 5 5 LEU N N 116.848 . . 39 6 6 PHE H H 7.176 . . 40 6 6 PHE HA H 3.907 . . 41 6 6 PHE HB2 H 3.259 . . 42 6 6 PHE HB3 H 2.739 . . 43 6 6 PHE HD1 H 7.315 . . 44 6 6 PHE HD2 H 7.315 . . 45 6 6 PHE HE1 H 6.915 . . 46 6 6 PHE HE2 H 6.915 . . 47 6 6 PHE HZ H 6.348 . . 48 7 7 ASN H H 7.437 . . 49 7 7 ASN HA H 4.521 . . 50 7 7 ASN HB2 H 2.734 . . 51 7 7 ASN HB3 H 2.568 . . 52 8 8 GLN H H 7.795 . . 53 8 8 GLN HA H 4.386 . . 54 8 8 GLN HB2 H 2.568 . . 55 8 8 GLN HB3 H 2.568 . . stop_ save_