data_5549 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Neuropeptide Y5-Receptor II: Solution Structure and Dynamics of [31Ala,32Pro]-NPY ; _BMRB_accession_number 5549 _BMRB_flat_file_name bmr5549.str _Entry_type original _Submission_date 2002-10-07 _Accession_date 2002-10-07 _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 Bader Reto . . 2 Rytz G. . . 3 Lerch M. . . 4 Beck-Sickinger Annette G. . 5 Zerbe Oliver . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 S2_parameters 1 T1_relaxation 2 T2_relaxation 2 heteronucl_NOE 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 222 "15N chemical shifts" 31 "T1 relaxation values" 56 "T2 relaxation values" 55 "order parameters" 28 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'Updating non-standard residue' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Key Motif to Gain Selectivity at the Neuropeptide Y5-receptor: Structure and Dynamics of Micelle-bound [Ala31,Pro32]-NPY ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22064968 _PubMed_ID 12069594 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bader Reto . . 2 Rytz G. . . 3 Lerch M. . . 4 Beck-Sickinger Annette G. . 5 Zerbe Oliver . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 41 _Journal_issue 25 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8031 _Page_last 8042 _Year 2002 _Details . loop_ _Keyword alpha 310-helix stop_ save_ ################################## # Molecular system description # ################################## save_system_Ala31_Pro32-NPY _Saveframe_category molecular_system _Mol_system_name '[Ala31, Pro32]-NEUROPEPTIDE Y' _Abbreviation_common '[Ala31, Pro32]-NPY' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '[Ala31, Pro32]-NPY' $Ala31_Pro32-NPY stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function neurohormone neurotransmitter stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ala31_Pro32-NPY _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '[Ala31, Pro32]-NEUROPEPTIDE Y' _Abbreviation_common '[Ala31, Pro32]-NPY' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 37 _Mol_residue_sequence ; YPSKPDNPGEDAPAEDLARY YSALRHYINLAPRQRYX ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 PRO 3 SER 4 LYS 5 PRO 6 ASP 7 ASN 8 PRO 9 GLY 10 GLU 11 ASP 12 ALA 13 PRO 14 ALA 15 GLU 16 ASP 17 LEU 18 ALA 19 ARG 20 TYR 21 TYR 22 SER 23 ALA 24 LEU 25 ARG 26 HIS 27 TYR 28 ILE 29 ASN 30 LEU 31 ALA 32 PRO 33 ARG 34 GLN 35 ARG 36 TYR 37 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 4862 Ala31_Aib32-NPY 97.22 36 97.14 97.14 3.01e-14 PDB 1FVN "[ala31, Aib32]-Neuropeptide Y" 94.44 37 97.06 97.06 2.09e-13 PDB 1ICY "[ala31,Pro32]-Pnpy Bound To Dpc Micelles" 94.44 37 100.00 100.00 2.33e-14 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'AMINO GROUP' _BMRB_code . _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 11:50:28 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 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 SING N HN1 ? ? SING N HN2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ala31_Pro32-NPY . . . . . . 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 $Ala31_Pro32-NPY 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelles _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ala31_Pro32-NPY 2.5 mM [U-15N] DPC 300 mM . H2O 90 % . D2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.1 loop_ _Task 'data processing' stop_ _Details Bruker save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.53 loop_ _Task 'data analysis' stop_ _Details 'Bartels & Wuthrich' save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'Guntert & Wuthrich' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_E-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name E-COSY _Sample_label $sample_1 save_ save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name E-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.0 0.2 n/a temperature 310 1 K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H2O H 1 protons ppm 4.63 internal direct cylindrical internal . 1.0 H2O N 15 protons ppm . external indirect . . . . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name '[Ala31, Pro32]-NPY' _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 TYR HB3 H 3.20 . . 2 . 1 TYR HB2 H 3.04 . . 3 . 1 TYR HD1 H 7.20 . . 4 . 1 TYR HD2 H 7.20 . . 5 . 1 TYR HE1 H 6.88 . . 6 . 1 TYR HE2 H 6.88 . . 7 . 1 TYR HA H 4.47 . . 8 . 2 PRO HB3 H 2.30 . . 9 . 2 PRO HB2 H 2.00 . . 10 . 2 PRO HG2 H 1.96 . . 11 . 2 PRO HG3 H 1.96 . . 12 . 2 PRO HD2 H 3.31 . . 13 . 2 PRO HD3 H 3.72 . . 14 . 2 PRO HA H 4.46 . . 15 . 3 SER H H 8.32 . . 16 . 3 SER N N 117.1 . . 17 . 3 SER HB3 H 3.87 . . 18 . 3 SER HB2 H 3.87 . . 19 . 3 SER HA H 4.45 . . 20 . 4 LYS H H 8.22 . . 21 . 4 LYS N N 123.9 . . 22 . 4 LYS HB3 H 1.83 . . 23 . 4 LYS HB2 H 1.72 . . 24 . 4 LYS HG2 H 1.45 . . 25 . 4 LYS HG3 H 1.45 . . 26 . 4 LYS HD2 H 1.73 . . 27 . 4 LYS HD3 H 1.73 . . 28 . 4 LYS HE2 H 3.00 . . 29 . 4 LYS HE3 H 3.00 . . 30 . 4 LYS HA H 4.66 . . 31 . 5 PRO HB3 H 2.28 . . 32 . 5 PRO HB2 H 1.92 . . 33 . 5 PRO HG2 H 2.01 . . 34 . 5 PRO HG3 H 2.01 . . 35 . 5 PRO HD2 H 3.60 . . 36 . 5 PRO HD3 H 3.80 . . 37 . 5 PRO HA H 4.41 . . 38 . 6 ASP H H 8.32 . . 39 . 6 ASP N N 120.4 . . 40 . 6 ASP HA H 4.52 . . 41 . 6 ASP HB3 H 2.62 . . 42 . 6 ASP HB2 H 2.59 . . 43 . 7 ASN H H 8.17 . . 44 . 7 ASN N N 119.3 . . 45 . 7 ASN HB3 H 2.80 . . 46 . 7 ASN HB2 H 2.65 . . 47 . 7 ASN HD21 H 6.86 . . 48 . 7 ASN HD22 H 7.60 . . 49 . 7 ASN HA H 4.99 . . 50 . 8 PRO HB3 H 2.28 . . 51 . 8 PRO HB2 H 1.92 . . 52 . 8 PRO HG2 H 2.01 . . 53 . 8 PRO HG3 H 2.01 . . 54 . 8 PRO HD2 H 3.76 . . 55 . 8 PRO HD3 H 3.76 . . 56 . 8 PRO HA H 4.42 . . 57 . 9 GLY H H 8.34 . . 58 . 9 GLY N N 109.3 . . 59 . 9 GLY HA2 H 3.94 . . 60 . 9 GLY HA3 H 3.94 . . 61 . 10 GLU H H 8.03 . . 62 . 10 GLU N N 120.8 . . 63 . 10 GLU HB3 H 2.10 . . 64 . 10 GLU HB2 H 2.07 . . 65 . 10 GLU HG2 H 2.22 . . 66 . 10 GLU HG3 H 2.22 . . 67 . 10 GLU HA H 4.3 . . 68 . 11 ASP H H 8.32 . . 69 . 11 ASP N N 121.7 . . 70 . 11 ASP HA H 4.61 . . 71 . 11 ASP HB3 H 2.66 . . 72 . 11 ASP HB2 H 2.58 . . 73 . 12 ALA H H 8.12 . . 74 . 12 ALA N N 125.6 . . 75 . 12 ALA HA H 4.58 . . 76 . 12 ALA HB H 1.34 . . 77 . 13 PRO HB3 H 2.28 . . 78 . 13 PRO HB2 H 1.92 . . 79 . 13 PRO HG2 H 2.01 . . 80 . 13 PRO HG3 H 2.01 . . 81 . 13 PRO HD2 H 3.65 . . 82 . 13 PRO HD3 H 3.76 . . 83 . 13 PRO HA H 4.42 . . 84 . 14 ALA H H 8.38 . . 85 . 14 ALA N N 123.8 . . 86 . 14 ALA HA H 4.24 . . 87 . 14 ALA HB H 1.41 . . 88 . 15 GLU H H 8.28 . . 89 . 15 GLU N N 120.1 . . 90 . 15 GLU HB3 H 2.08 . . 91 . 15 GLU HB2 H 2.01 . . 92 . 15 GLU HG2 H 2.29 . . 93 . 15 GLU HG3 H 2.29 . . 94 . 15 GLU HA H 4.24 . . 95 . 16 ASP H H 8.18 . . 96 . 16 ASP N N 121.5 . . 97 . 16 ASP HA H 4.44 . . 98 . 16 ASP HB3 H 2.67 . . 99 . 16 ASP HB2 H 2.62 . . 100 . 17 LEU H H 8.39 . . 101 . 17 LEU N N 120.7 . . 102 . 17 LEU HB3 H 1.82 . . 103 . 17 LEU HB2 H 1.82 . . 104 . 17 LEU HD1 H 0.93 . . 105 . 17 LEU HD2 H 0.98 . . 106 . 17 LEU HG H 1.64 . . 107 . 17 LEU HA H 4.16 . . 108 . 18 ALA H H 8.04 . . 109 . 18 ALA N N 121.1 . . 110 . 18 ALA HA H 4.03 . . 111 . 18 ALA HB H 1.52 . . 112 . 19 ARG H H 7.96 . . 113 . 19 ARG N N 119.6 . . 114 . 19 ARG HB3 H 1.84 . . 115 . 19 ARG HB2 H 1.75 . . 116 . 19 ARG HG2 H 1.45 . . 117 . 19 ARG HG3 H 1.52 . . 118 . 19 ARG HD2 H 3.14 . . 119 . 19 ARG HD3 H 3.14 . . 120 . 19 ARG HA H 4.1 . . 121 . 20 TYR H H 7.98 . . 122 . 20 TYR N N 120.3 . . 123 . 20 TYR HB3 H 3.09 . . 124 . 20 TYR HB2 H 3.09 . . 125 . 20 TYR HD1 H 7.02 . . 126 . 20 TYR HD2 H 7.02 . . 127 . 20 TYR HE1 H 6.78 . . 128 . 20 TYR HE2 H 6.78 . . 129 . 20 TYR HA H 4.42 . . 130 . 21 TYR H H 8.34 . . 131 . 21 TYR N N 119.7 . . 132 . 21 TYR HB3 H 3.16 . . 133 . 21 TYR HB2 H 3.16 . . 134 . 21 TYR HD1 H 7.05 . . 135 . 21 TYR HD2 H 7.05 . . 136 . 21 TYR HE1 H 6.77 . . 137 . 21 TYR HE2 H 6.77 . . 138 . 21 TYR HA H 4.3 . . 139 . 22 SER H H 8.29 . . 140 . 22 SER N N 114.3 . . 141 . 22 SER HA H 3.99 . . 142 . 22 SER HB3 H 4.02 . . 143 . 22 SER HB2 H 3.96 . . 144 . 23 ALA H H 7.78 . . 145 . 23 ALA N N 124.5 . . 146 . 23 ALA HA H 4.23 . . 147 . 23 ALA HB H 1.63 . . 148 . 24 LEU H H 8.09 . . 149 . 24 LEU N N 118.8 . . 150 . 24 LEU HB3 H 1.83 . . 151 . 24 LEU HB2 H 1.83 . . 152 . 24 LEU HD1 H 0.94 . . 153 . 24 LEU HD2 H 0.98 . . 154 . 24 LEU HG H 1.63 . . 155 . 24 LEU HA H 4.17 . . 156 . 25 ARG H H 8.16 . . 157 . 25 ARG N N 117.7 . . 158 . 25 ARG HB3 H 1.78 . . 159 . 25 ARG HB2 H 1.69 . . 160 . 25 ARG HG2 H 1.44 . . 161 . 25 ARG HG3 H 1.53 . . 162 . 25 ARG HD2 H 3.05 . . 163 . 25 ARG HD3 H 3.05 . . 164 . 25 ARG HA H 3.83 . . 165 . 26 HIS H H 7.81 . . 166 . 26 HIS N N 117.4 . . 167 . 26 HIS HB3 H 3.20 . . 168 . 26 HIS HB2 H 3.12 . . 169 . 26 HIS HD2 H 6.43 . . 170 . 26 HIS HE1 H 8.12 . . 171 . 26 HIS HA H 4.3 . . 172 . 27 TYR H H 7.96 . . 173 . 27 TYR N N 117.6 . . 174 . 27 TYR HB3 H 3.11 . . 175 . 27 TYR HB2 H 2.99 . . 176 . 27 TYR HD1 H 7.13 . . 177 . 27 TYR HD2 H 7.13 . . 178 . 27 TYR HE1 H 6.83 . . 179 . 27 TYR HE2 H 6.83 . . 180 . 27 TYR HA H 4.2 . . 181 . 28 ILE H H 8.09 . . 182 . 28 ILE N N 117.3 . . 183 . 28 ILE HG2 H 0.95 . . 184 . 28 ILE HG12 H 1.27 . . 185 . 28 ILE HG13 H 1.68 . . 186 . 28 ILE HD1 H 0.85 . . 187 . 28 ILE HA H 3.87 . . 188 . 28 ILE HB H 1.97 . . 189 . 29 ASN H H 7.74 . . 190 . 29 ASN N N 118.2 . . 191 . 29 ASN HB3 H 2.83 . . 192 . 29 ASN HB2 H 2.77 . . 193 . 29 ASN HD21 H 6.82 . . 194 . 29 ASN HD22 H 7.49 . . 195 . 29 ASN HA H 4.58 . . 196 . 30 LEU H H 7.63 . . 197 . 30 LEU N N 120.4 . . 198 . 30 LEU HB3 H 1.71 . . 199 . 30 LEU HB2 H 1.67 . . 200 . 30 LEU HD1 H 0.80 . . 201 . 30 LEU HD2 H 0.83 . . 202 . 30 LEU HG H 1.57 . . 203 . 30 LEU HA H 4.27 . . 204 . 31 ALA H H 7.82 . . 205 . 31 ALA N N 123.6 . . 206 . 31 ALA HA H 4.4 . . 207 . 31 ALA HB H 1.39 . . 208 . 32 PRO HB3 H 2.28 . . 209 . 32 PRO HB2 H 2.01 . . 210 . 32 PRO HG2 H 2.07 . . 211 . 32 PRO HG3 H 2.07 . . 212 . 32 PRO HD2 H 3.60 . . 213 . 32 PRO HD3 H 3.80 . . 214 . 32 PRO HA H 4.45 . . 215 . 33 ARG H H 8.26 . . 216 . 33 ARG N N 119.9 . . 217 . 33 ARG HB3 H 1.88 . . 218 . 33 ARG HB2 H 1.79 . . 219 . 33 ARG HG2 H 1.66 . . 220 . 33 ARG HG3 H 1.66 . . 221 . 33 ARG HD2 H 3.20 . . 222 . 33 ARG HD3 H 3.20 . . 223 . 33 ARG HA H 4.22 . . 224 . 34 GLN H H 8.22 . . 225 . 34 GLN N N 119.5 . . 226 . 34 GLN HB3 H 2.06 . . 227 . 34 GLN HB2 H 1.99 . . 228 . 34 GLN HG2 H 2.32 . . 229 . 34 GLN HG3 H 2.32 . . 230 . 34 GLN HE21 H 6.80 . . 231 . 34 GLN HE22 H 7.44 . . 232 . 34 GLN HA H 4.23 . . 233 . 35 ARG H H 8.08 . . 234 . 35 ARG N N 120.3 . . 235 . 35 ARG HB3 H 1.83 . . 236 . 35 ARG HB2 H 1.83 . . 237 . 35 ARG HG2 H 1.66 . . 238 . 35 ARG HG3 H 1.66 . . 239 . 35 ARG HD2 H 3.10 . . 240 . 35 ARG HD3 H 3.10 . . 241 . 35 ARG HA H 4.18 . . 242 . 36 TYR H H 7.91 . . 243 . 36 TYR N N 120.1 . . 244 . 36 TYR HB3 H 3.09 . . 245 . 36 TYR HB2 H 2.86 . . 246 . 36 TYR HD1 H 7.10 . . 247 . 36 TYR HD2 H 7.10 . . 248 . 36 TYR HE1 H 6.79 . . 249 . 36 TYR HE2 H 6.79 . . 250 . 36 TYR HA H 4.51 . . 251 . 37 NH2 HN1 H 6.99 . . 252 . 37 NH2 HN2 H 7.38 . . 253 . 37 NH2 N N 107.5 . . stop_ save_ save_T1_500 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name '[Ala31, Pro32]-NPY' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 LYS N 1.5 0.18 2 6 ASP N 1.6 0.1 3 7 ASN N 1.52 0.09 4 9 GLY N 1.59 0.08 5 10 GLU N 1.65 0.08 6 11 ASP N 1.62 0.08 7 12 ALA N 1.58 0.08 8 14 ALA N 1.87 0.1 9 16 ASP N 1.99 0.11 10 17 LEU N 1.96 0.14 11 18 ALA N 1.94 0.14 12 19 ARG N 2.1 0.17 13 20 TYR N 2.15 0.14 14 21 TYR N 1.79 0.15 15 22 SER N 1.89 0.14 16 23 ALA N 2 0.19 17 24 LEU N 2.12 0.18 18 25 ARG N 1.9 0.18 19 26 HIS N 1.97 0.34 20 27 TYR N 1.89 0.2 21 28 ILE N 2.04 0.18 22 29 ASN N 1.9 0.19 23 30 LEU N 1.9 0.14 24 31 ALA N 1.97 0.14 25 33 ARG N 2.02 0.12 26 34 GLN N 2.36 0.19 27 35 ARG N 1.94 0.16 28 36 TYR N 2.01 0.12 stop_ save_ save_T1_600 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name '[Ala31, Pro32]-NPY' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 LYS N 1.27 0.07 2 6 ASP N 1.28 0.09 3 7 ASN N 1.28 0.07 4 9 GLY N 1.31 0.08 5 10 GLU N 1.35 0.08 6 11 ASP N 1.28 0.08 7 12 ALA N 1.27 0.08 8 14 ALA N 1.48 0.08 9 16 ASP N 1.58 0.1 10 17 LEU N 1.45 0.08 11 18 ALA N 1.47 0.07 12 19 ARG N 1.57 0.08 13 20 TYR N 1.61 0.05 14 21 TYR N 1.53 0.11 15 22 SER N 1.36 0.1 16 23 ALA N 1.43 0.09 17 24 LEU N 1.52 0.13 18 25 ARG N 1.42 0.11 19 26 HIS N 1.84 0.2 20 27 TYR N 1.51 0.12 21 28 ILE N 1.57 0.1 22 29 ASN N 1.47 0.08 23 30 LEU N 1.41 0.09 24 31 ALA N 1.52 0.08 25 33 ARG N 1.52 0.08 26 34 GLN N 1.74 0.15 27 35 ARG N 1.66 0.11 28 36 TYR N 1.62 0.08 stop_ save_ save_T2_500 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 500 _T2_coherence_type Nx _T2_value_units s-1 _Mol_system_component_name '[Ala31, Pro32]-NPY' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 LYS N 2.04 . . . 2 6 ASP N 1.67 . . . 3 7 ASN N 2.18 . . . 4 9 GLY N 2.15 . . . 5 10 GLU N 2.17 . . . 6 11 ASP N 1.94 . . . 7 12 ALA N 2.68 . . . 8 14 ALA N 4.44 . . . 9 16 ASP N 6.14 . . . 10 17 LEU N 8.4 . . . 11 18 ALA N 9.71 . . . 12 19 ARG N 10 . . . 13 20 TYR N 8.13 . . . 14 21 TYR N 11.24 . . . 15 22 SER N 10.87 . . . 16 23 ALA N 10.31 . . . 17 24 LEU N 11.36 . . . 18 25 ARG N 11.24 . . . 19 26 HIS N 10.99 . . . 20 27 TYR N 10.2 . . . 21 28 ILE N 10.1 . . . 22 29 ASN N 9.62 . . . 23 30 LEU N 8.2 . . . 24 31 ALA N 7.52 . . . 25 33 ARG N 5.68 . . . 26 34 GLN N 5.5 . . . 27 35 ARG N 5.59 . . . 28 36 TYR N 4.41 . . . stop_ save_ save_T2_600 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 500 _T2_coherence_type Nx _T2_value_units s-1 _Mol_system_component_name '[Ala31, Pro32]-NPY' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 LYS N 1.91 . . . 2 6 ASP N 2.68 . . . 3 7 ASN N 2.29 . . . 4 9 GLY N 2.11 . . . 5 10 GLU N 2.41 . . . 6 11 ASP N 2.35 . . . 7 12 ALA N 3.31 . . . 8 14 ALA N 5.12 . . . 9 16 ASP N 8 . . . 10 17 LEU N 9.71 . . . 11 19 ARG N 10.75 . . . 12 20 TYR N 8.93 . . . 13 21 TYR N 11.11 . . . 14 22 SER N 11.91 . . . 15 23 ALA N 11.91 . . . 16 24 LEU N 14.71 . . . 17 25 ARG N 12.35 . . . 18 26 HIS N 12.35 . . . 19 27 TYR N 11.49 . . . 20 28 ILE N 12.05 . . . 21 29 ASN N 11.24 . . . 22 30 LEU N 9.9 . . . 23 31 ALA N 8.33 . . . 24 33 ARG N 6.41 . . . 25 34 GLN N 6.33 . . . 26 35 ARG N 5.59 . . . 27 36 TYR N 4.74 . . . stop_ save_ save_heteronuclear_NOE_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name '[Ala31, Pro32]-NPY' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 LYS -8.38 0.84 6 ASP -2.05 0.21 7 ASN -3.23 0.32 9 GLY -1.37 0.2 10 GLU -0.9 0.2 11 ASP -0.89 0.2 12 ALA -0.56 0.2 14 ALA 0 0.2 16 ASP 0.36 0.1 17 LEU 0.49 0.07 18 ALA 0.58 0.06 19 ARG 0.67 0.07 20 TYR 0.4 0.04 21 TYR 0.7 0.07 22 SER 0.73 0.07 23 ALA 0.66 0.07 24 LEU 0.53 0.05 25 ARG 0.68 0.07 26 HIS 0.72 0.07 27 TYR 0.71 0.07 28 ILE 0.61 0.06 29 ASN 0.59 0.06 30 LEU 0.51 0.05 31 ALA 0.48 0.05 33 ARG 0.33 0.03 34 GLN 0.32 0.03 35 ARG 0.19 0.1 36 TYR 0.1 0.1 stop_ save_ save_S2_parameters_set_1 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Mol_system_component_name '[Ala31, Pro32]-NPY' _Tau_e_value_units ps _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 4 LYS N . 0.05 0.01 401 47 . . . . . . . . . . 6 ASP N . 0.11 0.02 451 60 . . . . . . . . . . 7 ASN N . 0.08 0.01 426 44 . . . . . . . . . . 9 GLY N . 0.05 0.01 643 66 . . . . . . . . . . 10 GLU N . 0.07 0.01 799 88 . . . . . . . . . . 11 ASP N . 0.06 0.02 808 90 . . . . . . . . . . 12 ALA N . 0.13 0.02 882 115 . . . . . . . . . . 14 ALA N . 0.32 0.03 1100 219 . . . . . . . . . . 16 ASP N . 0.52 0.05 1323 251 . . . . . . . . . . 17 LEU N . 0.8 0.02 141 38 . . . . . . . . . . 18 ALA N . 0.87 0.03 147 63 . . . . . . . . . . 19 ARG N . 0.87 0.03 1065 423 . . . . . . . . . . 20 TYR N . 0.69 0.02 1022 101 . . . . . . . . . . 21 TYR N . 0.92 0.02 . . . . . . . . . . . . 22 SER N . 0.96 0.02 . . . . . . . . . . . . 23 ALA N . 0.97 0.02 . . . . . . . . . . . . 24 LEU N . 0.98 0.06 . . . . . . . . . . . . 25 ARG N . 0.97 0.04 . . . . . . . . . . . . 26 HIS N . 1 0.04 . . . . . . . . . . . . 27 TYR N . 0.94 0.03 . . . . . . . . . . . . 28 ILE N . 0.99 0.03 . . . . . . . . . . . . 29 ASN N . 0.93 0.02 . . . . . . . . . . . . 30 LEU N . 0.81 0.02 125 34 . . . . . . . . . . 31 ALA N . 0.63 0.04 1297 200 . . . . . . . . . . 33 ARG N . 0.42 0.03 1437 97 . . . . . . . . . . 34 GLN N . 0.39 0.04 1596 105 . . . . . . . . . . 35 ARG N . 0.35 0.03 1348 174 . . . . . . . . . . 36 TYR N . 0.26 0.03 1354 154 . . . . . . . . . . stop_ _Tau_s_value_units . save_