data_15830 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; chemical shift assignments and heteronuclear NOE of the N-terminal domain of the human Y1-receptor ; _BMRB_accession_number 15830 _BMRB_flat_file_name bmr15830.str _Entry_type original _Submission_date 2008-06-27 _Accession_date 2008-06-27 _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 Zerbe Oliver . . 2 Walser Reto . . 3 Zou Chao . . 4 Kumaran Sowmini . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 211 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-13 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15831 'Y receptors N-Y2' 15832 'Y receptors N-Y5' stop_ _Original_release_date 2009-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Properties of the N-terminal domains from Y receptors probed by NMR spectroscopy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19125388 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zou Chao . . 2 Kumaran Sowmini . . 3 Walser Reto . . 4 Zerbe Oliver . . stop_ _Journal_abbreviation 'J. Pept. Sci.' _Journal_volume 15 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 184 _Page_last 191 _Year 2009 _Details . loop_ _Keyword GPCR 'membrane protein' SPR 'structural biology' 'Y receptor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name N-Y1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label N-Y1 $N-Y1 stop_ _System_molecular_weight 4533 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_N-Y1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N-Y1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'neurohormone receptor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 40 _Mol_residue_sequence ; MNSTLFSQVENHSVHSNFSE KNAQLLAFENDDCHLPLAMI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 SER 4 THR 5 LEU 6 PHE 7 SER 8 GLN 9 VAL 10 GLU 11 ASN 12 HIS 13 SER 14 VAL 15 HIS 16 SER 17 ASN 18 PHE 19 SER 20 GLU 21 LYS 22 ASN 23 ALA 24 GLN 25 LEU 26 LEU 27 ALA 28 PHE 29 GLU 30 ASN 31 ASP 32 ASP 33 CYS 34 HIS 35 LEU 36 PRO 37 LEU 38 ALA 39 MET 40 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 DBJ BAD92474 "neuropeptide Y receptor Y1 variant [Homo sapiens]" 100.00 262 100.00 100.00 2.30e-18 DBJ BAG35472 "unnamed protein product [Homo sapiens]" 100.00 384 100.00 100.00 8.57e-18 GB AAA59920 "neuropeptide y receptor [Homo sapiens]" 100.00 384 100.00 100.00 8.75e-18 GB AAA59947 "neuropeptide Y receptor Y1 [Homo sapiens]" 100.00 384 100.00 100.00 8.57e-18 GB AAA73215 "unnamed protein product [Homo sapiens]" 100.00 384 100.00 100.00 8.57e-18 GB AAG40771 "neuropeptide Y receptor Y1 [Macaca mulatta]" 100.00 383 100.00 100.00 7.96e-18 GB AAH36657 "Neuropeptide Y receptor Y1 [Homo sapiens]" 100.00 384 100.00 100.00 8.57e-18 REF NP_000900 "neuropeptide Y receptor type 1 [Homo sapiens]" 100.00 384 100.00 100.00 8.57e-18 REF NP_001028038 "neuropeptide Y receptor type 1 [Macaca mulatta]" 100.00 383 100.00 100.00 7.96e-18 REF XP_002815306 "PREDICTED: neuropeptide Y receptor type 1 [Pongo abelii]" 100.00 383 100.00 100.00 8.04e-18 REF XP_003257965 "PREDICTED: neuropeptide Y receptor type 1 [Nomascus leucogenys]" 100.00 383 100.00 100.00 7.88e-18 REF XP_003822577 "PREDICTED: neuropeptide Y receptor type 1 isoform X1 [Pan paniscus]" 100.00 383 100.00 100.00 8.04e-18 SP P25929 "RecName: Full=Neuropeptide Y receptor type 1; Short=NPY1-R" 100.00 384 100.00 100.00 8.57e-18 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $N-Y1 Human 9606 Eukaryota Metazoa Homo sapiens NPY1R_HUMAN 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 _Details $N-Y1 'recombinant technology' . Escherichia coli DL21(DE3) C41(41) pUBK19 ; The peptide was produced as a C-terminal fusion to ubiquitin. For details see: Kohno, T.; Kusunoki, H.; Sato, K.; Wakamatsu, K. Journal of Biomolecular NMR 1998, 12, 109-121. For more information on the C41(DE3) cell strain see: Miroux, B.; Walker, J. E. J. Mol. Biol. 1996, 260, 289-298. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; buffer: 20 mM sodium phosphate, pH 6.4, 300 mM DPC temperature: 298 K ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N-Y1 0.5 mM [U-15N] 'sodium phosphate' 20 mM 'natural abundance' DPC 300 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; buffer: 20 mM sodium phosphate, pH 6.4, 300 mM DPC temperature: 300 K ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N-Y1 0.5 mM [U-15N] 'sodium phosphate' 20 mM 'natural abundance' DPC 300 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 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-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_NOE_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N NOE' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; buffer: 20 mM sodium phosphate, pH 6.4, 300 mM DPC temperature: 298 K ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details ; buffer: 20 mM sodium phosphate, pH 6.4, 300 mM DPC temperature: 300 K ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Chemical shifts were calibrated to the water line at 4.63 ppm and nitrogen shifts were referenced indirectly to liquid NH3.' 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 4.63 internal direct . . . 1.0 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 internal indirect . . . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '3D 1H-15N TOCSY' 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 N-Y1 _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 3 3 SER H H 8.520 0.020 1 2 3 3 SER HA H 4.422 0.020 1 3 3 3 SER N N 116.257 0.400 1 4 4 4 THR H H 8.319 0.020 1 5 4 4 THR HA H 4.284 0.020 1 6 4 4 THR HB H 4.007 0.020 1 7 4 4 THR HG2 H 1.170 0.020 1 8 4 4 THR N N 116.437 0.400 1 9 5 5 LEU H H 8.230 0.020 1 10 5 5 LEU HA H 4.030 0.020 1 11 5 5 LEU HB2 H 1.249 0.020 2 12 5 5 LEU HB3 H 1.419 0.020 2 13 5 5 LEU HD1 H 0.792 0.020 2 14 5 5 LEU HD2 H 0.720 0.020 2 15 5 5 LEU HG H 1.169 0.020 1 16 5 5 LEU N N 122.695 0.400 1 17 6 6 PHE H H 7.968 0.020 1 18 6 6 PHE HA H 4.464 0.020 1 19 6 6 PHE HB2 H 2.962 0.020 2 20 6 6 PHE HB3 H 3.185 0.020 2 21 6 6 PHE HD1 H 7.187 0.020 1 22 6 6 PHE HD2 H 7.187 0.020 1 23 6 6 PHE N N 115.797 0.400 1 24 7 7 SER H H 8.024 0.020 1 25 7 7 SER HA H 4.308 0.020 1 26 7 7 SER HB2 H 3.860 0.020 2 27 7 7 SER HB3 H 3.860 0.020 2 28 7 7 SER N N 114.836 0.400 1 29 8 8 GLN H H 8.247 0.020 1 30 8 8 GLN HA H 4.279 0.020 1 31 8 8 GLN HB2 H 1.994 0.020 2 32 8 8 GLN HB3 H 2.110 0.020 2 33 8 8 GLN HE21 H 7.439 0.020 2 34 8 8 GLN HE22 H 7.439 0.020 2 35 8 8 GLN HG2 H 2.333 0.020 2 36 8 8 GLN HG3 H 2.333 0.020 2 37 8 8 GLN N N 120.601 0.400 1 38 9 9 VAL H H 7.901 0.020 1 39 9 9 VAL HA H 3.944 0.020 1 40 9 9 VAL HB H 2.049 0.020 1 41 9 9 VAL HG1 H 0.856 0.020 2 42 9 9 VAL HG2 H 0.892 0.020 2 43 9 9 VAL N N 118.798 0.400 1 44 10 10 GLU H H 8.262 0.020 1 45 10 10 GLU HA H 4.086 0.020 1 46 10 10 GLU HB2 H 1.848 0.020 2 47 10 10 GLU HB3 H 1.881 0.020 2 48 10 10 GLU HG2 H 2.330 0.020 2 49 10 10 GLU HG3 H 2.330 0.020 2 50 10 10 GLU N N 122.348 0.400 1 51 11 11 ASN H H 8.293 0.020 1 52 11 11 ASN HA H 4.513 0.020 1 53 11 11 ASN HB2 H 2.688 0.020 2 54 11 11 ASN HB3 H 2.707 0.020 2 55 11 11 ASN HD21 H 7.583 0.020 2 56 11 11 ASN HD22 H 7.583 0.020 2 57 11 11 ASN N N 118.228 0.400 1 58 12 12 HIS H H 8.323 0.020 1 59 12 12 HIS HA H 4.571 0.020 1 60 12 12 HIS HB2 H 3.048 0.020 2 61 12 12 HIS HB3 H 3.191 0.020 2 62 12 12 HIS HD2 H 7.089 0.020 1 63 12 12 HIS N N 119.808 0.400 1 64 13 13 SER H H 8.176 0.020 1 65 13 13 SER HA H 4.398 0.020 1 66 13 13 SER HB2 H 3.764 0.020 2 67 13 13 SER HB3 H 3.853 0.020 2 68 13 13 SER N N 115.764 0.400 1 69 14 14 VAL H H 8.154 0.020 1 70 14 14 VAL HA H 4.003 0.020 1 71 14 14 VAL HB H 2.006 0.020 1 72 14 14 VAL HG1 H 0.806 0.020 2 73 14 14 VAL HG2 H 0.806 0.020 2 74 14 14 VAL N N 120.675 0.400 1 75 15 15 HIS H H 8.299 0.020 1 76 15 15 HIS HA H 4.606 0.020 1 77 15 15 HIS HB2 H 3.033 0.020 2 78 15 15 HIS HB3 H 3.144 0.020 2 79 15 15 HIS HD2 H 7.049 0.020 1 80 15 15 HIS N N 120.624 0.400 1 81 16 16 SER H H 8.215 0.020 1 82 16 16 SER HA H 4.616 0.020 1 83 16 16 SER HB2 H 3.773 0.020 2 84 16 16 SER HB3 H 3.801 0.020 2 85 16 16 SER N N 116.218 0.400 1 86 17 17 ASN H H 8.174 0.020 1 87 17 17 ASN HA H 4.186 0.020 1 88 17 17 ASN HB2 H 2.633 0.020 2 89 17 17 ASN HB3 H 2.633 0.020 2 90 17 17 ASN HD21 H 7.499 0.020 2 91 17 17 ASN HD22 H 7.499 0.020 2 92 17 17 ASN N N 119.232 0.400 1 93 18 18 PHE H H 8.216 0.020 1 94 18 18 PHE HA H 4.496 0.020 1 95 18 18 PHE HB2 H 2.988 0.020 2 96 18 18 PHE HB3 H 3.103 0.020 2 97 18 18 PHE HD1 H 7.172 0.020 1 98 18 18 PHE HD2 H 7.172 0.020 1 99 18 18 PHE HE1 H 7.250 0.020 1 100 18 18 PHE HE2 H 7.250 0.020 1 101 19 19 SER H H 8.167 0.020 1 102 19 19 SER HA H 4.292 0.020 1 103 19 19 SER HB2 H 3.768 0.020 2 104 19 19 SER HB3 H 3.836 0.020 2 105 19 19 SER N N 115.898 0.400 1 106 20 20 GLU H H 8.380 0.020 1 107 20 20 GLU HA H 4.136 0.020 1 108 20 20 GLU HB2 H 1.927 0.020 2 109 20 20 GLU HB3 H 2.006 0.020 2 110 20 20 GLU HG2 H 2.199 0.020 2 111 20 20 GLU HG3 H 2.232 0.020 2 112 20 20 GLU N N 122.301 0.400 1 113 21 21 LYS H H 8.149 0.020 1 114 21 21 LYS HA H 4.170 0.020 1 115 21 21 LYS HB2 H 1.365 0.020 2 116 21 21 LYS HB3 H 1.708 0.020 2 117 21 21 LYS HD2 H 2.020 0.020 2 118 21 21 LYS HD3 H 1.940 0.020 2 119 21 21 LYS HE2 H 2.740 0.020 2 120 21 21 LYS HE3 H 2.740 0.020 2 121 21 21 LYS HG2 H 1.369 0.020 2 122 21 21 LYS HG3 H 1.369 0.020 2 123 21 21 LYS N N 120.026 0.400 1 124 22 22 ASN H H 8.126 0.020 1 125 22 22 ASN HA H 4.571 0.020 1 126 22 22 ASN HB2 H 2.647 0.020 2 127 22 22 ASN HB3 H 2.710 0.020 2 128 22 22 ASN HD21 H 7.493 0.020 2 129 22 22 ASN HD22 H 7.493 0.020 2 130 22 22 ASN N N 118.113 0.400 1 131 23 23 ALA H H 8.133 0.020 1 132 23 23 ALA HA H 4.109 0.020 1 133 23 23 ALA HB H 1.357 0.020 1 134 23 23 ALA N N 123.089 0.400 1 135 24 24 GLN H H 8.126 0.020 1 136 24 24 GLN HA H 4.146 0.020 1 137 24 24 GLN HB2 H 1.991 0.020 2 138 24 24 GLN HB3 H 2.043 0.020 2 139 24 24 GLN HE21 H 7.485 0.020 2 140 24 24 GLN HE22 H 7.485 0.020 2 141 24 24 GLN HG2 H 2.332 0.020 2 142 24 24 GLN HG3 H 2.295 0.020 2 143 24 24 GLN N N 117.352 0.400 1 144 25 25 LEU H H 8.010 0.020 1 145 25 25 LEU HA H 4.159 0.020 1 146 25 25 LEU HB2 H 1.640 0.020 2 147 25 25 LEU HB3 H 1.640 0.020 2 148 25 25 LEU HD1 H 0.879 0.020 2 149 25 25 LEU HD2 H 0.812 0.020 2 150 25 25 LEU HG H 1.536 0.020 1 151 25 25 LEU N N 120.958 0.400 1 152 26 26 LEU H H 7.831 0.020 1 153 26 26 LEU HA H 4.171 0.020 1 154 26 26 LEU HB2 H 1.566 0.020 2 155 26 26 LEU HB3 H 1.566 0.020 2 156 26 26 LEU HD1 H 0.832 0.020 2 157 26 26 LEU HD2 H 0.794 0.020 2 158 26 26 LEU HG H 1.461 0.020 1 159 26 26 LEU N N 118.604 0.400 1 160 27 27 ALA H H 7.739 0.020 1 161 27 27 ALA HA H 4.191 0.020 1 162 27 27 ALA HB H 1.232 0.020 1 163 27 27 ALA N N 122.052 0.400 1 164 28 28 PHE H H 7.968 0.020 1 165 28 28 PHE HA H 4.546 0.020 1 166 28 28 PHE HB2 H 2.955 0.020 2 167 28 28 PHE HB3 H 3.138 0.020 2 168 28 28 PHE HD1 H 7.202 0.020 1 169 28 28 PHE HD2 H 7.202 0.020 1 170 28 28 PHE HE1 H 7.040 0.020 1 171 28 28 PHE HE2 H 7.040 0.020 1 172 28 28 PHE N N 117.831 0.400 1 173 29 29 GLU H H 8.331 0.020 1 174 29 29 GLU HA H 4.195 0.020 1 175 29 29 GLU HB2 H 1.869 0.020 2 176 29 29 GLU HB3 H 1.869 0.020 2 177 29 29 GLU HG2 H 2.179 0.020 2 178 29 29 GLU HG3 H 2.179 0.020 2 179 29 29 GLU N N 120.345 0.400 1 180 30 30 ASN H H 8.297 0.020 1 181 30 30 ASN HA H 4.623 0.020 1 182 30 30 ASN HB2 H 2.774 0.020 2 183 30 30 ASN HB3 H 2.774 0.020 2 184 30 30 ASN HD21 H 7.580 0.020 2 185 30 30 ASN HD22 H 7.580 0.020 2 186 30 30 ASN N N 118.612 0.400 1 187 31 31 ASP H H 8.187 0.020 1 188 31 31 ASP HA H 4.504 0.020 1 189 31 31 ASP HB2 H 2.576 0.020 2 190 31 31 ASP HB3 H 2.631 0.020 2 191 31 31 ASP N N 120.029 0.400 1 192 32 32 ASP H H 8.073 0.020 1 193 32 32 ASP HA H 4.294 0.020 1 194 32 32 ASP HB2 H 2.775 0.020 2 195 32 32 ASP HB3 H 2.775 0.020 2 196 32 32 ASP N N 118.066 0.400 1 197 33 33 CYS H H 8.292 0.020 1 198 33 33 CYS HA H 4.750 0.020 1 199 33 33 CYS HB2 H 2.587 0.020 2 200 33 33 CYS HB3 H 2.646 0.020 2 201 33 33 CYS N N 120.077 0.400 1 202 34 34 HIS H H 8.362 0.020 1 203 34 34 HIS HA H 4.655 0.020 1 204 34 34 HIS HB2 H 3.070 0.020 2 205 34 34 HIS HB3 H 3.199 0.020 2 206 34 34 HIS HD2 H 7.129 0.020 1 207 34 34 HIS N N 119.737 0.400 1 208 35 35 LEU H H 8.324 0.020 1 209 35 35 LEU HA H 4.515 0.020 1 210 35 35 LEU HB2 H 1.617 0.020 2 211 35 35 LEU HB3 H 1.617 0.020 2 212 35 35 LEU HD1 H 0.862 0.020 2 213 35 35 LEU HG H 1.439 0.020 1 214 35 35 LEU N N 122.683 0.400 1 215 36 36 PRO HA H 4.441 0.020 1 216 36 36 PRO HB2 H 1.909 0.020 2 217 36 36 PRO HB3 H 1.960 0.020 2 218 36 36 PRO HD2 H 3.830 0.020 2 219 36 36 PRO HD3 H 3.780 0.020 2 220 36 36 PRO HG2 H 2.220 0.020 2 221 36 36 PRO HG3 H 2.190 0.020 2 222 37 37 LEU H H 8.050 0.020 1 223 37 37 LEU HA H 4.179 0.020 1 224 37 37 LEU HB2 H 1.510 0.020 2 225 37 37 LEU HB3 H 1.586 0.020 2 226 37 37 LEU HD1 H 0.871 0.020 2 227 37 37 LEU HD2 H 0.815 0.020 2 228 37 37 LEU N N 120.634 0.400 1 229 38 38 ALA H H 8.176 0.020 1 230 38 38 ALA HA H 4.272 0.020 1 231 38 38 ALA HB H 1.320 0.020 1 232 38 38 ALA N N 122.211 0.400 1 233 39 39 MET H H 8.223 0.020 1 234 39 39 MET HA H 4.378 0.020 1 235 39 39 MET HB2 H 1.956 0.020 2 236 39 39 MET HB3 H 2.062 0.020 2 237 39 39 MET HE H 1.960 0.020 1 238 39 39 MET HG2 H 2.660 0.020 2 239 39 39 MET HG3 H 2.550 0.020 2 240 39 39 MET N N 118.148 0.400 1 241 40 40 ILE H H 7.381 0.020 1 242 40 40 ILE HA H 4.009 0.020 1 243 40 40 ILE HB H 1.790 0.020 1 244 40 40 ILE HD1 H 0.820 0.020 1 245 40 40 ILE HG12 H 1.087 0.020 2 246 40 40 ILE HG13 H 1.366 0.020 2 247 40 40 ILE N N 122.856 0.400 1 stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _Mol_system_component_name N-Y1 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 SER 0.227506691 . 4 THR 0.571054926 . 5 LEU 0.73454507 . 6 PHE 0.820515575 . 7 SER 0.799117647 . 8 GLN 0.619541376 . 9 VAL 0.687104026 . 10 GLU 0.541636938 . 11 ASN 0.445659305 . 12 HIS 0.483792545 . 14 VAL 0.537872683 . 15 HIS 0.631061038 . 16 SER 0.600177778 . 17 ASN 0.558871405 . 19 SER 0.644936709 . 20 GLU 0.61622575 . 21 LYS 0.639385651 . 22 ASN 0.573212818 . 23 ALA 0.713279857 . 24 GLN 0.696 . 25 LEU 0.619567394 . 26 LEU 0.726630895 . 27 ALA 0.628500824 . 28 PHE 0.527811683 . 29 GLU 0.45356711 . 30 ASN 0.446609612 . 31 ASP 0.484790875 . 32 ASP 0.506186441 . 33 CYS 0.565800773 . 34 HIS 0.431574608 . 35 LEU 0.500686161 . 37 LEU 0.246941896 . 38 ALA 0.209991533 . 39 MET -0.01399635 . 40 ILE -0.613214286 . stop_ save_