data_5996 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Temperature Dependent Spectral Density Analysis Applied to Monitoring Backbone Dynamics of Major Urinary Protein-I Complexed with the Pheromone 2-sec-Butyl-4,5-dihyrothiazole ; _BMRB_accession_number 5996 _BMRB_flat_file_name bmr5996.str _Entry_type original _Submission_date 2003-11-05 _Accession_date 2003-11-05 _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 Krizova Hana . . 2 Zidek Lukas . . 3 Stone Martin J. . 4 Novotny Milos V. . 5 Sklenar Vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 9 T1_relaxation 9 T2_relaxation 9 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 159 "15N chemical shifts" 159 "T1 relaxation values" 979 "T2 relaxation values" 979 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-06-15 update author 'update t2 data' 2004-04-07 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 5995 'Relaxation data of free form' stop_ _Original_release_date 2004-04-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Temperature Dependent Spectral Density Analysis Applied to Monitoring Backbone Dynamics of Major Urinary Protein-I Complexed with the Pheromone 2-sec-butyl-4,5-dihyrothiazole ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14872128 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krizova Hana . . 2 Zidek Lukas . . 3 Stone Martin J. . 4 Novotny Milos V. . 5 Sklenar Vladimir . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 369 _Page_last 384 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_MUP-I _Saveframe_category molecular_system _Mol_system_name 'Major Urinary Protein-I' _Abbreviation_common MUP-I _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MUP-I $MUP-I 2-sec-butyl-4,5-dihydrothiazole $entity_ZBT stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'disulfide bound and free' loop_ _Biological_function 'pheromone binding' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MUP-I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Major Urinary Protein-I' _Abbreviation_common MUP-I _Molecular_mass . _Mol_thiol_state 'disulfide bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; EEASSTGRNFNVEKINGEWH TIILASDKREKIEDNGNFRL FLEQIHVLENSLVLKFHTVR DEECSELSMVADKTEKAGEY SVTYDGFNTFTIPKTDYDNF LMAHLINEKDGETFQLMGLY GREPDLSSDIKERFAQLCEK HGILRENIIDLSNANRCLQA RE ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 GLU 3 ALA 4 SER 5 SER 6 THR 7 GLY 8 ARG 9 ASN 10 PHE 11 ASN 12 VAL 13 GLU 14 LYS 15 ILE 16 ASN 17 GLY 18 GLU 19 TRP 20 HIS 21 THR 22 ILE 23 ILE 24 LEU 25 ALA 26 SER 27 ASP 28 LYS 29 ARG 30 GLU 31 LYS 32 ILE 33 GLU 34 ASP 35 ASN 36 GLY 37 ASN 38 PHE 39 ARG 40 LEU 41 PHE 42 LEU 43 GLU 44 GLN 45 ILE 46 HIS 47 VAL 48 LEU 49 GLU 50 ASN 51 SER 52 LEU 53 VAL 54 LEU 55 LYS 56 PHE 57 HIS 58 THR 59 VAL 60 ARG 61 ASP 62 GLU 63 GLU 64 CYS 65 SER 66 GLU 67 LEU 68 SER 69 MET 70 VAL 71 ALA 72 ASP 73 LYS 74 THR 75 GLU 76 LYS 77 ALA 78 GLY 79 GLU 80 TYR 81 SER 82 VAL 83 THR 84 TYR 85 ASP 86 GLY 87 PHE 88 ASN 89 THR 90 PHE 91 THR 92 ILE 93 PRO 94 LYS 95 THR 96 ASP 97 TYR 98 ASP 99 ASN 100 PHE 101 LEU 102 MET 103 ALA 104 HIS 105 LEU 106 ILE 107 ASN 108 GLU 109 LYS 110 ASP 111 GLY 112 GLU 113 THR 114 PHE 115 GLN 116 LEU 117 MET 118 GLY 119 LEU 120 TYR 121 GLY 122 ARG 123 GLU 124 PRO 125 ASP 126 LEU 127 SER 128 SER 129 ASP 130 ILE 131 LYS 132 GLU 133 ARG 134 PHE 135 ALA 136 GLN 137 LEU 138 CYS 139 GLU 140 LYS 141 HIS 142 GLY 143 ILE 144 LEU 145 ARG 146 GLU 147 ASN 148 ILE 149 ILE 150 ASP 151 LEU 152 SER 153 ASN 154 ALA 155 ASN 156 ARG 157 CYS 158 LEU 159 GLN 160 ALA 161 ARG 162 GLU 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 17447 MUP11 100.00 176 99.38 100.00 6.22e-114 BMRB 4340 rMUP 100.00 162 98.77 99.38 2.36e-113 BMRB 5995 MUP-I 100.00 162 100.00 100.00 7.39e-115 PDB 1DF3 'Solution Structure Of A Recombinant Mouse Major Urinary Protein' 100.00 162 98.77 99.38 2.36e-113 PDB 1I04 'Crystal Structure Of Mouse Major Urinary Protein-I From Mouse Liver' 100.00 180 99.38 100.00 5.87e-114 PDB 1I05 'Crystal Structure Of Mouse Major Urinary Protein (Mup-I) Complexed With Hydroxy-Methyl-Heptanone' 100.00 180 99.38 100.00 5.87e-114 PDB 1I06 'Crystal Structure Of Mouse Major Urinary Protein (Mup-I) Complexed With Sec-Butyl-Thiazoline' 100.00 180 99.38 100.00 5.87e-114 PDB 1JV4 'Crystal Structure Of Recombinant Major Mouse Urinary Protein (Rmup) At 1.75 A Resolution' 100.00 162 98.77 99.38 2.36e-113 PDB 1MUP 'Pheromone Binding To Two Rodent Urinary Proteins Revealed By X-Ray Crystallography' 100.00 166 99.38 100.00 5.44e-114 PDB 1QY0 'Thermodynamics Of Binding Of 2-Methoxy-3-Isopropylpyrazine And 2- Methoxy-3-Isobutylpyrazine To The Major Urinary Protein' 100.00 174 98.77 99.38 5.00e-113 PDB 1QY1 'Thermodynamics Of Binding Of 2-Methoxy-3-Isopropylpyrazine And 2- Methoxy-3-Isobutylpyrazine To The Major Urinary Protein' 100.00 174 98.77 99.38 5.00e-113 PDB 1QY2 'Thermodynamics Of Binding Of 2-Methoxy-3-Isopropylpyrazine And 2- Methoxy-3-Isobutylpyrazine To The Major Urinary Protein' 100.00 174 98.77 99.38 5.00e-113 PDB 1YP6 'Van Der Waals Interactions Dominate Hydrophobic Association In A Protein Binding Site Occluded From Solvent Water' 100.00 174 98.15 99.38 2.26e-112 PDB 1YP7 'Van Der Waals Interactions Dominate Hydrophobic Association In A Protein Binding Site Occluded From Solvent Water' 100.00 174 98.15 99.38 2.26e-112 PDB 1ZND 'Strong Solute-solute Dispersive Interactions In A Protein- Ligand Complex' 100.00 174 98.77 99.38 5.00e-113 PDB 1ZNE 'Strong Solute-Solute Dispersive Interactions In A Protein- Ligand Complex' 100.00 174 98.77 99.38 5.00e-113 PDB 1ZNG 'Strong Solute-Solute Dispersive Interactions In A Protein- Ligand Complex' 100.00 174 98.77 99.38 5.00e-113 PDB 1ZNH 'Strong Solute-Solute Dispersive Interactions In A Protein- Ligand Complex' 100.00 174 98.77 99.38 5.00e-113 PDB 1ZNK 'Strong Solute-Solute Dispersive Interactions In A Protein- Ligand Complex' 100.00 174 98.77 99.38 5.00e-113 PDB 1ZNL 'Strong Solute-Solute Dispersive Interactions In A Protein- Ligand Complex' 100.00 174 98.77 99.38 5.00e-113 PDB 2DM5 'Thermodynamic Penalty Arising From Burial Of A Ligand Polar Group Within A Hydrophobic Pocket Of A Protein Receptor' 100.00 174 98.77 99.38 5.00e-113 PDB 2LB6 'Structure Of 18694da Mup, Typical To The Major Urinary Protein Family: Mup9, Mup11, Mup15, Mup18 & Mup19' 100.00 176 99.38 100.00 6.22e-114 PDB 2OZQ 'Crystal Structure Of Apo-Mup' 100.00 174 98.77 99.38 5.00e-113 DBJ BAB28753 'unnamed protein product [Mus musculus]' 100.00 180 99.38 100.00 5.87e-114 DBJ BAB29093 'unnamed protein product [Mus musculus]' 100.00 181 98.15 100.00 8.83e-113 EMBL CAA26953 'major urinary protein [Mus musculus]' 100.00 180 98.77 99.38 3.12e-113 EMBL CAA27227 'MUP [Mus musculus]' 92.59 151 99.33 100.00 4.32e-105 EMBL CAA27729 'MUP [Mus musculus]' 83.95 136 97.06 98.53 1.96e-91 EMBL CAC34259 'Major Urinary Protein [Mus musculus]' 100.00 180 98.77 99.38 3.97e-113 EMBL CAQ11104 'novel member of the major urinary protein (Mup) gene family [Mus musculus]' 100.00 180 97.53 98.15 4.55e-111 GB AAA39764 'major urinary protein [Mus musculus]' 100.00 178 98.77 98.77 1.01e-112 GB AAA39765 'major urinary protein, partial [Mus musculus]' 92.59 151 99.33 100.00 4.32e-105 GB AAA39767 'major urinary protein I [Mus musculus domesticus]' 100.00 180 100.00 100.00 1.10e-114 GB AAA39768 'major urinary protein II [Mus musculus domesticus]' 100.00 180 98.15 99.38 2.02e-112 GB AAB47130 'uMUP-VIII=18.695 kda major urinary protein [mice, Balb/c, urine, Peptide, 162 aa]' 100.00 162 99.38 100.00 3.16e-114 REF NP_001039015 'major urinary protein 2 isoform 1 precursor [Mus musculus]' 100.00 180 98.77 100.00 1.33e-113 REF NP_001116119 'major urinary protein 10 precursor [Mus musculus]' 100.00 180 98.77 99.38 3.56e-113 REF NP_001128116 'major urinary protein LOC100048885 precursor [Mus musculus]' 100.00 180 97.53 98.15 4.55e-111 REF NP_001128147 'major urinary protein 7 precursor [Mus musculus]' 95.06 235 99.35 99.35 3.25e-106 REF NP_001128148 'major urinary protein 8 precursor [Mus musculus]' 95.06 235 98.05 98.70 4.04e-104 SP B5X0G2 'RecName: Full=Major urinary protein 17; Short=MUP 17; Flags: Precursor [Mus musculus]' 100.00 180 97.53 99.38 1.16e-111 SP P02762 'RecName: Full=Major urinary protein 6; Short=MUP 6; AltName: Full=Alpha-2U-globulin; AltName: Full=Group 1, BS6; AltName: Aller' 100.00 180 99.38 100.00 5.87e-114 SP P04938 'RecName: Full=Major urinary proteins 11 and 8; AltName: Full=MUP11 and MUP8, partial [Mus musculus]' 92.59 151 99.33 100.00 4.32e-105 SP P11588 'RecName: Full=Major urinary protein 1; Short=MUP 1; Flags: Precursor [Mus musculus]' 100.00 180 100.00 100.00 1.10e-114 SP P11589 'RecName: Full=Major urinary protein 2; Short=MUP 2; Flags: Precursor [Mus musculus]' 100.00 180 98.15 99.38 2.02e-112 TPG DAA06299 'TPA_inf: major urinary protein 3 [Mus musculus]' 100.00 180 99.38 99.38 8.98e-114 TPG DAA06300 'TPA_inf: major urinary protein 4 [Mus musculus]' 100.00 180 98.77 100.00 1.33e-113 TPG DAA06301 'TPA_inf: major urinary protein 5 [Mus musculus]' 100.00 180 98.15 98.77 6.23e-112 TPG DAA06302 'TPA_inf: major urinary protein 6 [Mus musculus]' 100.00 180 99.38 100.00 5.87e-114 TPG DAA06303 'TPA_inf: major urinary protein 7 [Mus musculus]' 100.00 180 100.00 100.00 9.88e-115 stop_ save_ ############# # Ligands # ############# save_ZBT _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole _BMRB_code ZBT _PDB_code ZBT _Molecular_mass 143.250 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons S1 S1 S . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H7A H7A H . 0 . ? H8 H8 H . 0 . ? H8A H8A H . 0 . ? H8B H8B H . 0 . ? H9 H9 H . 0 . ? H9A H9A H . 0 . ? H9B H9B H . 0 . ? H12 H12 H . 0 . ? H13 H13 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 S1 C2 ? ? SING S1 C5 ? ? DOUB C2 N3 ? ? SING C2 C6 ? ? SING N3 C4 ? ? SING C4 C5 ? ? SING C4 H4 ? ? SING C5 H5 ? ? SING C6 C7 ? ? SING C6 C9 ? ? SING C6 H6 ? ? SING C7 C8 ? ? SING C7 H7 ? ? SING C7 H7A ? ? SING C8 H8 ? ? SING C8 H8A ? ? SING C8 H8B ? ? SING C9 H9 ? ? SING C9 H9A ? ? SING C9 H9B ? ? SING C4 H12 ? ? SING C5 H13 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $MUP-I 'House mouse' 10090 Eukaryota Metazoa Mus musculus domesticus 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 $MUP-I 'recombinant technology' . . . . . 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 $MUP-I 1.8 mM '[U-95% 15N]' $entity_ZBT 1.8 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_T1_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label $sample_1 save_ save_15N_T2_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label $sample_1 save_ save_{1H}-15N_NOE_3 _Saveframe_category NMR_applied_experiment _Experiment_name '{1H}-15N NOE' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_283K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 283 1 K stop_ save_ save_288K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 288 1 K stop_ save_ save_293K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 293 1 K stop_ save_ save_298K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 298 1 K stop_ save_ save_303K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 303 1 K stop_ save_ save_308K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 308 1 K stop_ save_ save_291K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 291 1 K stop_ save_ save_297K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 297 1 K stop_ save_ save_302K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 302 1 K 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 DSS H 1 'methyl protons' ppm 0.0 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '15N T1' '15N T2' '{1H}-15N NOE' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $283K _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name MUP-I _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 GLU H H 8.538 0.01 1 2 . 2 GLU N N 119.871 0.10 1 3 . 3 ALA H H 8.879 0.01 1 4 . 3 ALA N N 125.550 0.10 1 5 . 4 SER H H 8.128 0.01 1 6 . 4 SER N N 111.891 0.10 1 7 . 5 SER H H 9.302 0.01 1 8 . 5 SER N N 120.847 0.10 1 9 . 6 THR H H 7.146 0.01 1 10 . 6 THR N N 108.519 0.10 1 11 . 7 GLY H H 7.660 0.01 1 12 . 7 GLY N N 110.645 0.10 1 13 . 8 ARG H H 8.632 0.01 1 14 . 8 ARG N N 120.526 0.10 1 15 . 9 ASN H H 8.673 0.01 1 16 . 9 ASN N N 115.302 0.10 1 17 . 10 PHE H H 7.832 0.01 1 18 . 10 PHE N N 121.842 0.10 1 19 . 11 ASN H H 7.710 0.01 1 20 . 11 ASN N N 127.727 0.10 1 21 . 12 VAL H H 8.172 0.01 1 22 . 12 VAL N N 123.609 0.10 1 23 . 13 GLU H H 8.097 0.01 1 24 . 13 GLU N N 118.489 0.10 1 25 . 14 LYS H H 7.351 0.01 1 26 . 14 LYS N N 115.140 0.10 1 27 . 15 ILE H H 7.681 0.01 1 28 . 15 ILE N N 110.300 0.10 1 29 . 16 ASN H H 7.137 0.01 1 30 . 16 ASN N N 119.523 0.10 1 31 . 17 GLY H H 9.401 0.01 1 32 . 17 GLY N N 111.924 0.10 1 33 . 18 GLU H H 8.386 0.01 1 34 . 18 GLU N N 121.661 0.10 1 35 . 19 TRP H H 7.476 0.01 1 36 . 19 TRP N N 122.365 0.10 1 37 . 20 HIS H H 8.932 0.01 1 38 . 20 HIS N N 112.684 0.10 1 39 . 21 THR H H 10.389 0.01 1 40 . 21 THR N N 122.737 0.10 1 41 . 22 ILE H H 8.971 0.01 1 42 . 22 ILE N N 127.793 0.10 1 43 . 23 ILE H H 7.534 0.01 1 44 . 23 ILE N N 115.011 0.10 1 45 . 24 LEU H H 8.272 0.01 1 46 . 24 LEU N N 123.133 0.10 1 47 . 25 ALA H H 9.113 0.01 1 48 . 25 ALA N N 122.592 0.10 1 49 . 26 SER H H 7.370 0.01 1 50 . 26 SER N N 112.728 0.10 1 51 . 27 ASP H H 8.695 0.01 1 52 . 27 ASP N N 123.016 0.10 1 53 . 28 LYS H H 8.263 0.01 1 54 . 28 LYS N N 122.827 0.10 1 55 . 29 ARG H H 8.619 0.01 1 56 . 29 ARG N N 127.156 0.10 1 57 . 30 GLU H H 9.403 0.01 1 58 . 30 GLU N N 115.068 0.10 1 59 . 31 LYS H H 7.483 0.01 1 60 . 31 LYS N N 116.324 0.10 1 61 . 32 ILE H H 7.545 0.01 1 62 . 32 ILE N N 106.532 0.10 1 63 . 33 GLU H H 6.633 0.01 1 64 . 33 GLU N N 121.398 0.10 1 65 . 34 ASP H H 8.440 0.01 1 66 . 34 ASP N N 118.288 0.10 1 67 . 35 ASN H H 8.888 0.01 1 68 . 35 ASN N N 116.847 0.10 1 69 . 36 GLY H H 8.792 0.01 1 70 . 36 GLY N N 109.966 0.10 1 71 . 37 ASN H H 9.336 0.01 1 72 . 37 ASN N N 121.331 0.10 1 73 . 38 PHE H H 8.670 0.01 1 74 . 38 PHE N N 115.519 0.10 1 75 . 39 ARG H H 7.131 0.01 1 76 . 39 ARG N N 123.979 0.10 1 77 . 40 LEU H H 6.782 0.01 1 78 . 40 LEU N N 124.226 0.10 1 79 . 41 PHE H H 8.503 0.01 1 80 . 41 PHE N N 123.051 0.10 1 81 . 42 LEU H H 8.491 0.01 1 82 . 42 LEU N N 129.122 0.10 1 83 . 43 GLU H H 9.025 0.01 1 84 . 43 GLU N N 121.331 0.10 1 85 . 44 GLN H H 7.359 0.01 1 86 . 44 GLN N N 115.165 0.10 1 87 . 45 ILE H H 8.792 0.01 1 88 . 45 ILE N N 120.966 0.10 1 89 . 46 HIS H H 9.413 0.01 1 90 . 46 HIS N N 127.214 0.10 1 91 . 47 VAL H H 8.836 0.01 1 92 . 47 VAL N N 128.058 0.10 1 93 . 48 LEU H H 8.245 0.01 1 94 . 48 LEU N N 130.193 0.10 1 95 . 49 GLU H H 8.469 0.01 1 96 . 49 GLU N N 120.118 0.10 1 97 . 50 ASN H H 8.640 0.01 1 98 . 50 ASN N N 114.900 0.10 1 99 . 51 SER H H 7.503 0.01 1 100 . 51 SER N N 112.365 0.10 1 101 . 52 LEU H H 9.227 0.01 1 102 . 52 LEU N N 119.055 0.10 1 103 . 53 VAL H H 9.246 0.01 1 104 . 53 VAL N N 123.001 0.10 1 105 . 54 LEU H H 9.118 0.01 1 106 . 54 LEU N N 129.357 0.10 1 107 . 55 LYS H H 8.013 0.01 1 108 . 55 LYS N N 122.330 0.10 1 109 . 56 PHE H H 9.253 0.01 1 110 . 56 PHE N N 122.623 0.10 1 111 . 57 HIS H H 9.065 0.01 1 112 . 57 HIS N N 113.986 0.10 1 113 . 58 THR H H 9.072 0.01 1 114 . 58 THR N N 113.296 0.10 1 115 . 59 VAL H H 8.939 0.01 1 116 . 59 VAL N N 122.952 0.10 1 117 . 60 ARG H H 8.427 0.01 1 118 . 60 ARG N N 127.731 0.10 1 119 . 61 ASP H H 9.454 0.01 1 120 . 61 ASP N N 127.479 0.10 1 121 . 62 GLU H H 8.422 0.01 1 122 . 62 GLU N N 110.639 0.10 1 123 . 63 GLU H H 8.017 0.01 1 124 . 63 GLU N N 120.381 0.10 1 125 . 64 CYS H H 8.973 0.01 1 126 . 64 CYS N N 124.454 0.10 1 127 . 65 SER H H 8.848 0.01 1 128 . 65 SER N N 118.342 0.10 1 129 . 66 GLU H H 8.700 0.01 1 130 . 66 GLU N N 123.806 0.10 1 131 . 67 LEU H H 8.607 0.01 1 132 . 67 LEU N N 124.866 0.10 1 133 . 68 SER H H 8.580 0.01 1 134 . 68 SER N N 118.844 0.10 1 135 . 69 MET H H 9.093 0.01 1 136 . 69 MET N N 120.332 0.10 1 137 . 70 VAL H H 8.592 0.01 1 138 . 70 VAL N N 121.766 0.10 1 139 . 71 ALA H H 9.493 0.01 1 140 . 71 ALA N N 130.490 0.10 1 141 . 72 ASP H H 8.931 0.01 1 142 . 72 ASP N N 123.306 0.10 1 143 . 73 LYS H H 8.166 0.01 1 144 . 73 LYS N N 121.068 0.10 1 145 . 74 THR H H 7.836 0.01 1 146 . 74 THR N N 114.949 0.10 1 147 . 75 GLU H H 8.699 0.01 1 148 . 75 GLU N N 116.983 0.10 1 149 . 76 LYS H H 8.050 0.01 1 150 . 76 LYS N N 122.350 0.10 1 151 . 77 ALA H H 8.275 0.01 1 152 . 77 ALA N N 127.559 0.10 1 153 . 78 GLY H H 8.417 0.01 1 154 . 78 GLY N N 108.321 0.10 1 155 . 79 GLU H H 7.279 0.01 1 156 . 79 GLU N N 120.481 0.10 1 157 . 80 TYR H H 8.447 0.01 1 158 . 80 TYR N N 125.783 0.10 1 159 . 81 SER H H 9.623 0.01 1 160 . 81 SER N N 114.459 0.10 1 161 . 82 VAL H H 8.593 0.01 1 162 . 82 VAL N N 117.228 0.10 1 163 . 83 THR H H 9.337 0.01 1 164 . 83 THR N N 129.089 0.10 1 165 . 84 TYR H H 8.727 0.01 1 166 . 84 TYR N N 128.752 0.10 1 167 . 85 ASP H H 8.617 0.01 1 168 . 85 ASP N N 129.989 0.10 1 169 . 86 GLY H H 7.860 0.01 1 170 . 86 GLY N N 103.311 0.10 1 171 . 87 PHE H H 8.781 0.01 1 172 . 87 PHE N N 120.195 0.10 1 173 . 88 ASN H H 7.897 0.01 1 174 . 88 ASN N N 123.436 0.10 1 175 . 89 THR H H 8.741 0.01 1 176 . 89 THR N N 112.689 0.10 1 177 . 90 PHE H H 9.410 0.01 1 178 . 90 PHE N N 117.966 0.10 1 179 . 91 THR H H 8.784 0.01 1 180 . 91 THR N N 108.472 0.10 1 181 . 92 ILE H H 8.293 0.01 1 182 . 92 ILE N N 119.496 0.10 1 183 . 93 PRO N N 111.893 0.10 1 184 . 94 LYS H H 6.983 0.01 1 185 . 95 THR H H 8.821 0.01 1 186 . 95 THR N N 119.165 0.10 1 187 . 96 ASP H H 6.928 0.01 1 188 . 96 ASP N N 124.991 0.10 1 189 . 97 TYR H H 8.769 0.01 1 190 . 97 TYR N N 115.881 0.10 1 191 . 98 ASP H H 9.319 0.01 1 192 . 98 ASP N N 119.910 0.10 1 193 . 99 ASN H H 9.025 0.01 1 194 . 99 ASN N N 116.859 0.10 1 195 . 100 PHE H H 9.793 0.01 1 196 . 100 PHE N N 117.749 0.10 1 197 . 101 LEU H H 9.338 0.01 1 198 . 101 LEU N N 126.418 0.10 1 199 . 102 MET H H 9.159 0.01 1 200 . 102 MET N N 125.394 0.10 1 201 . 103 ALA H H 9.431 0.01 1 202 . 103 ALA N N 122.811 0.10 1 203 . 104 HIS H H 8.626 0.01 1 204 . 104 HIS N N 120.857 0.10 1 205 . 105 LEU H H 9.727 0.01 1 206 . 105 LEU N N 132.297 0.10 1 207 . 106 ILE H H 9.111 0.01 1 208 . 106 ILE N N 125.500 0.10 1 209 . 107 ASN H H 8.329 0.01 1 210 . 107 ASN N N 128.527 0.10 1 211 . 108 GLU H H 8.835 0.01 1 212 . 108 GLU N N 124.089 0.10 1 213 . 109 LYS H H 8.672 0.01 1 214 . 109 LYS N N 126.291 0.10 1 215 . 110 ASP H H 9.490 0.01 1 216 . 110 ASP N N 128.992 0.10 1 217 . 111 GLY H H 8.797 0.01 1 218 . 111 GLY N N 104.767 0.10 1 219 . 112 GLU H H 7.973 0.01 1 220 . 112 GLU N N 120.606 0.10 1 221 . 113 THR H H 8.716 0.01 1 222 . 113 THR N N 117.578 0.10 1 223 . 114 PHE H H 8.368 0.01 1 224 . 114 PHE N N 120.362 0.10 1 225 . 115 GLN H H 10.024 0.01 1 226 . 115 GLN N N 118.461 0.10 1 227 . 116 LEU H H 9.392 0.01 1 228 . 116 LEU N N 126.172 0.10 1 229 . 117 MET H H 9.534 0.01 1 230 . 117 MET N N 125.059 0.10 1 231 . 118 GLY H H 8.903 0.01 1 232 . 118 GLY N N 108.770 0.10 1 233 . 119 LEU H H 8.345 0.01 1 234 . 119 LEU N N 124.278 0.10 1 235 . 120 TYR H H 9.388 0.01 1 236 . 120 TYR N N 126.582 0.10 1 237 . 121 GLY H H 9.560 0.01 1 238 . 121 GLY N N 108.387 0.10 1 239 . 122 ARG H H 8.369 0.01 1 240 . 122 ARG N N 122.565 0.10 1 241 . 123 GLU H H 8.442 0.01 1 242 . 123 GLU N N 118.673 0.10 1 243 . 125 ASP H H 7.188 0.01 1 244 . 125 ASP N N 113.878 0.10 1 245 . 126 LEU H H 8.511 0.01 1 246 . 126 LEU N N 119.454 0.10 1 247 . 127 SER H H 8.195 0.01 1 248 . 127 SER N N 114.483 0.10 1 249 . 128 SER H H 8.980 0.01 1 250 . 128 SER N N 118.054 0.10 1 251 . 129 ASP H H 8.506 0.01 1 252 . 129 ASP N N 120.888 0.10 1 253 . 130 ILE H H 7.406 0.01 1 254 . 130 ILE N N 121.650 0.10 1 255 . 131 LYS H H 7.619 0.01 1 256 . 131 LYS N N 119.254 0.10 1 257 . 132 GLU H H 8.238 0.01 1 258 . 132 GLU N N 121.143 0.10 1 259 . 133 ARG H H 7.842 0.01 1 260 . 133 ARG N N 120.706 0.10 1 261 . 134 PHE H H 8.421 0.01 1 262 . 134 PHE N N 120.340 0.10 1 263 . 135 ALA H H 8.342 0.01 1 264 . 135 ALA N N 124.617 0.10 1 265 . 136 GLN H H 8.088 0.01 1 266 . 136 GLN N N 116.119 0.10 1 267 . 137 LEU H H 7.545 0.01 1 268 . 137 LEU N N 123.140 0.10 1 269 . 138 CYS H H 8.022 0.01 1 270 . 138 CYS N N 118.786 0.10 1 271 . 139 GLU H H 7.987 0.01 1 272 . 139 GLU N N 120.609 0.10 1 273 . 140 LYS H H 7.739 0.01 1 274 . 140 LYS N N 120.700 0.10 1 275 . 141 HIS H H 7.453 0.01 1 276 . 141 HIS N N 115.962 0.10 1 277 . 142 GLY H H 7.775 0.01 1 278 . 142 GLY N N 106.807 0.10 1 279 . 143 ILE H H 7.839 0.01 1 280 . 143 ILE N N 122.924 0.10 1 281 . 144 LEU H H 8.019 0.01 1 282 . 144 LEU N N 125.106 0.10 1 283 . 145 ARG H H 8.667 0.01 1 284 . 145 ARG N N 119.781 0.10 1 285 . 146 GLU H H 8.810 0.01 1 286 . 146 GLU N N 116.749 0.10 1 287 . 147 ASN H H 8.214 0.01 1 288 . 147 ASN N N 120.859 0.10 1 289 . 148 ILE H H 7.110 0.01 1 290 . 148 ILE N N 118.491 0.10 1 291 . 149 ILE H H 9.367 0.01 1 292 . 149 ILE N N 128.783 0.10 1 293 . 150 ASP H H 8.703 0.01 1 294 . 150 ASP N N 127.365 0.10 1 295 . 151 LEU H H 9.019 0.01 1 296 . 151 LEU N N 130.437 0.10 1 297 . 152 SER H H 9.046 0.01 1 298 . 152 SER N N 118.980 0.10 1 299 . 153 ASN H H 8.399 0.01 1 300 . 153 ASN N N 117.700 0.10 1 301 . 154 ALA H H 7.830 0.01 1 302 . 154 ALA N N 122.605 0.10 1 303 . 155 ASN H H 7.986 0.01 1 304 . 155 ASN N N 117.043 0.10 1 305 . 156 ARG H H 7.916 0.01 1 306 . 156 ARG N N 122.170 0.10 1 307 . 157 CYS H H 8.319 0.01 1 308 . 157 CYS N N 118.221 0.10 1 309 . 158 LEU H H 8.103 0.01 1 310 . 158 LEU N N 122.760 0.10 1 311 . 159 GLN H H 8.316 0.01 1 312 . 159 GLN N N 120.951 0.10 1 313 . 160 ALA H H 8.235 0.01 1 314 . 160 ALA N N 125.851 0.10 1 315 . 161 ARG H H 8.229 0.01 1 316 . 161 ARG N N 121.126 0.10 1 317 . 162 GLU H H 7.996 0.01 1 318 . 162 GLU N N 127.051 0.10 1 stop_ save_ save_283_600_bound_t1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $283K _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name MUP-I _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 1137.0 9.67 2 4 SER N 1236.7 10.7 3 5 SER N 1106.1 13.0 4 6 THR N 1038.3 9.27 5 7 GLY N 1134.5 13.6 6 10 PHE N 1090.1 10.8 7 11 ASN N 1138.2 14.6 8 12 VAL N 1230.7 8.10 9 13 GLU N 1167.7 9.63 10 15 ILE N 1155.3 4.87 11 16 ASN N 1154.9 7.95 12 17 GLY N 1119.1 13.5 13 18 GLU N 775.08 14.1 14 22 ILE N 1097.5 11.2 15 23 ILE N 1198.3 13.5 16 26 SER N 1154.5 9.75 17 27 ASP N 1189.4 9.11 18 29 ARG N 1098.1 12.5 19 30 GLU N 1117.3 6.43 20 31 LYS N 1093.6 11.0 21 32 ILE N 1087.2 11.8 22 33 GLU N 1137.9 8.98 23 36 GLY N 1135.5 8.14 24 37 ASN N 1034.4 17.0 25 38 PHE N 1101.5 9.27 26 46 HIS N 1163.5 8.88 27 48 LEU N 1122.7 9.22 28 50 ASN N 1039.4 22.3 29 51 SER N 1071.6 7.00 30 52 LEU N 1152.8 12.9 31 54 LEU N 1137.6 7.89 32 55 LYS N 1190.6 10.4 33 61 ASP N 1088.9 6.18 34 66 GLU N 1125.9 8.93 35 67 LEU N 1087.2 10.4 36 68 SER N 1180.2 8.43 37 70 VAL N 1074.9 13.7 38 71 ALA N 1111.8 14.3 39 72 ASP N 1165.7 7.30 40 74 THR N 1112.0 8.31 41 75 GLU N 1089.1 13.6 42 76 LYS N 1184.5 19.0 43 78 GLY N 1049.3 22.7 44 79 GLU N 1081.7 5.82 45 80 TYR N 1101.0 14.1 46 81 SER N 1119.9 8.03 47 82 VAL N 1077.7 7.57 48 84 TYR N 1192.6 11.8 49 85 ASP N 1129.1 9.20 50 86 GLY N 1143.8 6.62 51 89 THR N 1136.4 14.4 52 90 PHE N 1246.7 8.10 53 91 THR N 1041.8 16.9 54 92 ILE N 1126.0 15.9 55 94 LYS N 1178.9 7.64 56 96 ASP N 1103.2 12.3 57 98 ASP N 1161.0 13.2 58 100 PHE N 1209.4 12.4 59 101 LEU N 1162.7 15.5 60 103 ALA N 1187.8 16.6 61 104 HIS N 1232.5 10.9 62 105 LEU N 1133.6 18.5 63 107 ASN N 1090.8 11.6 64 108 GLU N 1187.7 9.63 65 109 LYS N 1110.1 6.71 66 110 ASP N 1048.6 16.9 67 111 GLY N 1118.3 3.92 68 113 THR N 1148.7 6.11 69 114 PHE N 1129.0 7.26 70 115 GLN N 1127.3 8.57 71 116 LEU N 1216.6 18.4 72 117 MET N 1214.1 10.3 73 118 GLY N 1171.0 18.7 74 119 LEU N 1175.7 12.0 75 121 GLY N 1145.3 28.1 76 123 GLU N 1128.6 7.36 77 125 ASP N 1121.6 8.01 78 126 LEU N 1173.8 7.78 79 127 SER N 1186.5 8.03 80 129 ASP N 1122.2 16.7 81 130 ILE N 1107.8 10.0 82 131 LYS N 1099.7 10.7 83 133 ARG N 1105.5 7.39 84 135 ALA N 1087.8 9.72 85 136 GLN N 1133.0 15.9 86 137 LEU N 1122.6 7.71 87 138 CYS N 1144.1 6.79 88 140 LYS N 1158.2 4.47 89 141 HIS N 1177.9 4.74 90 142 GLY N 1142.2 15.0 91 144 LEU N 1149.3 6.77 92 145 ARG N 1039.6 33.4 93 148 ILE N 1149.3 8.22 94 151 LEU N 1206.2 18.2 95 152 SER N 1034.2 24.5 96 162 GLU N 780.81 2.53 stop_ save_ save_288_600_bound_t1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $288K _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name MUP-I _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 990.62 16.19 2 4 SER N 1052.2 24.91 3 5 SER N 942.42 21.21 4 6 THR N 850.56 13.42 5 7 GLY N 934.16 16.47 6 10 PHE N 932.30 20.92 7 12 VAL N 1049.3 24.10 8 13 GLU N 976.89 8.23 9 15 ILE N 952.45 11.77 10 16 ASN N 953.33 12.42 11 17 GLY N 929.62 19.75 12 18 GLU N 941.97 15.31 13 19 TRP N 1004.4 16.63 14 20 HIS N 1005.9 16.06 15 21 THR N 983.27 27.16 16 22 ILE N 959.97 25.96 17 23 ILE N 954.21 13.44 18 26 SER N 986.47 9.49 19 27 ASP N 899.49 5.73 20 29 ARG N 942.24 17.82 21 30 GLU N 945.79 11.34 22 31 LYS N 898.87 14.48 23 32 ILE N 902.43 11.59 24 33 GLU N 951.69 14.39 25 35 ASN N 970.09 10.49 26 36 GLY N 1009.7 18.78 27 37 ASN N 871.56 35.77 28 38 PHE N 889.80 8.01 29 39 ARG N 935.96 15.75 30 40 LEU N 1019.4 11.24 31 42 LEU N 958.65 27.93 32 45 ILE N 999.69 17.13 33 46 HIS N 960.13 9.45 34 48 LEU N 947.17 15.06 35 50 ASN N 889.86 32.58 36 51 SER N 900.95 8.97 37 52 LEU N 962.72 14.40 38 53 VAL N 953.86 15.97 39 54 LEU N 942.59 17.14 40 55 LYS N 990.98 9.52 41 57 HIS N 954.13 18.66 42 60 ARG N 946.67 7.78 43 61 ASP N 920.41 24.79 44 62 GLU N 944.22 15.76 45 64 CYS N 992.33 24.65 46 66 GLU N 993.34 21.51 47 67 LEU N 925.46 11.14 48 68 SER N 1002.8 13.30 49 69 MET N 1004.2 11.90 50 71 ALA N 937.03 15.97 51 72 ASP N 1001.0 16.09 52 74 THR N 983.53 17.92 53 75 GLU N 930.62 17.50 54 77 ALA N 1004.9 30.61 55 78 GLY N 895.39 36.36 56 79 GLU N 913.95 13.17 57 80 TYR N 944.20 8.68 58 81 SER N 942.19 17.12 59 82 VAL N 916.84 6.04 60 84 TYR N 992.26 17.56 61 85 ASP N 954.63 14.61 62 86 GLY N 957.83 13.23 63 87 PHE N 950.40 12.90 64 88 ASN N 989.46 10.67 65 89 THR N 936.57 9.99 66 90 PHE N 1077.6 17.44 67 91 THR N 896.26 15.09 68 92 ILE N 995.62 13.25 69 94 LYS N 981.91 13.26 70 95 THR N 1006.9 26.05 71 96 ASP N 970.89 5.89 72 97 TYR N 951.60 13.56 73 98 ASP N 915.51 12.39 74 100 PHE N 1035.1 15.42 75 101 LEU N 994.95 22.22 76 102 MET N 971.89 9.51 77 103 ALA N 1056.1 12.30 78 104 HIS N 1075.2 12.79 79 105 LEU N 966.69 10.21 80 107 ASN N 906.26 16.80 81 108 GLU N 931.59 12.33 82 109 LYS N 926.11 14.47 83 110 ASP N 882.58 33.98 84 111 GLY N 950.91 17.13 85 113 THR N 977.57 20.09 86 114 PHE N 983.15 17.59 87 115 GLN N 949.87 6.78 88 116 LEU N 1001.4 14.89 89 117 MET N 983.80 17.30 90 118 GLY N 986.48 14.46 91 121 GLY N 971.17 18.06 92 123 GLU N 1010.2 14.21 93 125 ASP N 946.31 14.95 94 126 LEU N 964.52 40.20 95 127 SER N 991.96 15.03 96 128 SER N 872.75 42.73 97 130 ILE N 941.10 14.16 98 131 LYS N 928.52 15.83 99 134 PHE N 837.09 33.12 100 135 ALA N 915.99 13.37 101 136 GLN N 935.42 11.07 102 137 LEU N 937.14 10.63 103 138 CYS N 980.24 6.77 104 140 LYS N 963.47 13.79 105 141 HIS N 976.20 9.98 106 142 GLY N 973.03 11.59 107 145 ARG N 1021.0 14.89 108 146 GLU N 968.58 13.99 109 148 ILE N 951.16 12.07 110 151 LEU N 1015.2 18.98 111 152 SER N 870.70 19.56 112 153 ASN N 869.14 20.69 113 160 ALA N 687.27 13.27 stop_ save_ save_293_600_bound_t1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $293K _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name MUP-I _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 870.60 17.88 2 5 SER N 810.89 13.18 3 6 THR N 734.57 14.66 4 7 GLY N 801.14 24.00 5 10 PHE N 823.83 14.61 6 11 ASN N 832.88 15.95 7 12 VAL N 939.11 8.893 8 13 GLU N 895.67 7.283 9 15 ILE N 854.49 13.18 10 16 ASN N 835.80 8.877 11 18 GLU N 829.64 16.62 12 19 TRP N 883.13 32.31 13 20 HIS N 892.03 26.57 14 22 ILE N 859.52 12.93 15 23 ILE N 914.01 9.877 16 26 SER N 844.02 16.65 17 27 ASP N 798.73 10.91 18 29 ARG N 803.22 16.90 19 30 GLU N 807.07 13.24 20 31 LYS N 822.41 6.464 21 32 ILE N 746.89 26.95 22 33 GLU N 821.53 15.87 23 36 GLY N 820.05 17.45 24 37 ASN N 806.03 29.51 25 39 ARG N 819.60 16.85 26 40 LEU N 901.33 13.97 27 43 GLU N 790.64 23.95 28 45 ILE N 883.00 12.83 29 46 HIS N 804.92 24.85 30 47 VAL N 862.71 12.25 31 48 LEU N 815.60 20.15 32 50 ASN N 804.66 21.13 33 51 SER N 826.22 6.991 34 52 LEU N 908.17 5.446 35 53 VAL N 904.71 4.915 36 54 LEU N 856.36 9.301 37 55 LYS N 869.32 15.97 38 57 HIS N 875.80 17.55 39 60 ARG N 864.86 3.971 40 61 ASP N 798.99 20.45 41 62 GLU N 843.79 9.529 42 64 CYS N 897.68 7.500 43 66 GLU N 873.02 12.20 44 67 LEU N 802.84 15.92 45 68 SER N 923.05 5.712 46 69 MET N 866.89 8.687 47 71 ALA N 819.39 18.69 48 72 ASP N 875.00 17.28 49 74 THR N 822.13 8.297 50 75 GLU N 866.85 14.17 51 76 LYS N 897.81 13.48 52 77 ALA N 891.72 16.56 53 78 GLY N 818.51 23.66 54 79 GLU N 793.29 10.26 55 80 TYR N 787.44 17.21 56 81 SER N 849.06 9.296 57 82 VAL N 774.43 21.02 58 83 THR N 847.70 11.82 59 84 TYR N 897.26 7.670 60 86 GLY N 853.49 4.411 61 87 PHE N 879.31 9.177 62 88 ASN N 879.96 7.718 63 89 THR N 810.5 18.72 64 90 PHE N 907.89 13.76 65 91 THR N 794.66 10.18 66 92 ILE N 864.98 20.74 67 94 LYS N 860.82 12.98 68 95 THR N 922.94 12.86 69 96 ASP N 811.01 23.07 70 97 TYR N 813.32 15.53 71 98 ASP N 763.48 25.22 72 101 LEU N 843.63 21.10 73 102 MET N 861.70 10.51 74 103 ALA N 926.39 18.33 75 104 HIS N 894.45 6.495 76 105 LEU N 849.83 14.67 77 108 GLU N 866.11 7.481 78 109 LYS N 864.18 8.834 79 110 ASP N 773.91 28.02 80 111 GLY N 824.23 9.037 81 115 GLN N 822.79 17.40 82 116 LEU N 862.13 13.02 83 117 MET N 882.54 12.16 84 118 GLY N 887.38 9.989 85 119 LEU N 862.62 20.03 86 120 TYR N 967.68 11.26 87 121 GLY N 910.73 13.50 88 123 GLU N 939.16 7.010 89 125 ASP N 835.25 8.995 90 128 SER N 792.35 30.08 91 129 ASP N 799.95 8.804 92 130 ILE N 816.72 15.29 93 131 LYS N 802.88 13.53 94 134 PHE N 751.11 23.38 95 135 ALA N 783.21 14.05 96 136 GLN N 832.00 12.32 97 137 LEU N 810.82 16.53 98 138 CYS N 809.17 20.29 99 141 HIS N 843.53 16.78 100 142 GLY N 914.70 9.531 101 143 ILE N 867.83 30.59 102 144 LEU N 877.36 11.00 103 145 ARG N 893.23 8.928 104 148 ILE N 840.70 10.47 105 151 LEU N 905.11 11.06 106 156 ARG N 824.77 39.49 107 160 ALA N 673.61 14.30 108 162 GLU N 859.73 9.385 stop_ save_ save_298_600_bound_t1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $298K _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name MUP-I _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 830.68 29.55 2 4 SER N 866.21 33.83 3 5 SER N 748.18 46.40 4 6 THR N 697.53 43.50 5 7 GLY N 789.72 37.99 6 10 PHE N 802.83 49.41 7 11 ASN N 782.38 45.18 8 12 VAL N 869.96 28.28 9 13 GLU N 817.41 29.05 10 15 ILE N 781.01 27.27 11 16 ASN N 795.45 36.30 12 17 GLY N 771.69 41.09 13 18 GLU N 761.06 51.50 14 19 TRP N 809.80 40.78 15 20 HIS N 847.29 47.61 16 21 THR N 800.47 48.83 17 22 ILE N 789.82 26.56 18 23 ILE N 814.15 31.31 19 26 SER N 790.19 32.63 20 27 ASP N 768.68 29.13 21 29 ARG N 742.10 45.15 22 30 GLU N 758.96 38.57 23 31 LYS N 751.87 24.36 24 32 ILE N 764.35 33.55 25 33 GLU N 787.35 29.95 26 35 ASN N 823.92 51.56 27 36 GLY N 763.84 37.60 28 37 ASN N 753.77 63.99 29 39 ARG N 762.56 30.74 30 40 LEU N 827.80 31.38 31 42 LEU N 824.39 39.16 32 43 GLU N 707.83 39.63 33 45 ILE N 809.29 39.28 34 46 HIS N 780.33 32.38 35 47 VAL N 802.82 37.87 36 48 LEU N 771.06 29.47 37 50 ASN N 774.59 85.20 38 51 SER N 737.20 39.10 39 52 LEU N 802.03 40.33 40 53 VAL N 823.03 41.37 41 54 LEU N 784.38 23.62 42 55 LYS N 816.50 37.56 43 57 HIS N 807.12 30.17 44 58 THR N 751.24 44.58 45 60 ARG N 765.50 36.77 46 61 ASP N 770.53 43.13 47 62 GLU N 804.36 31.97 48 64 CYS N 822.96 41.98 49 65 SER N 808.58 39.17 50 66 GLU N 835.72 47.32 51 67 LEU N 780.60 38.90 52 68 SER N 830.88 45.14 53 69 MET N 785.08 50.34 54 71 ALA N 782.05 29.11 55 72 ASP N 813.98 35.76 56 74 THR N 814.52 21.22 57 75 GLU N 794.31 47.63 58 76 LYS N 795.79 21.85 59 77 ALA N 821.86 50.36 60 78 GLY N 790.43 66.29 61 79 GLU N 733.68 36.68 62 80 TYR N 768.99 36.34 63 81 SER N 785.11 35.17 64 82 VAL N 758.15 26.00 65 83 THR N 780.09 37.80 66 84 TYR N 823.08 45.48 67 85 ASP N 766.91 31.88 68 86 GLY N 790.15 33.28 69 87 PHE N 779.96 39.91 70 88 ASN N 816.70 27.27 71 89 THR N 787.09 35.12 72 90 PHE N 841.76 34.22 73 91 THR N 737.10 37.84 74 92 ILE N 804.79 37.23 75 94 LYS N 812.60 42.29 76 95 THR N 829.76 33.80 77 96 ASP N 800.69 35.95 78 97 TYR N 775.74 31.96 79 99 ASN N 833.26 34.67 80 100 PHE N 817.94 45.53 81 101 LEU N 816.19 36.66 82 103 ALA N 837.05 34.42 83 104 HIS N 871.91 26.37 84 105 LEU N 777.01 34.21 85 107 ASN N 750.83 29.12 86 108 GLU N 772.42 27.31 87 109 LYS N 781.45 30.70 88 110 ASP N 746.97 62.84 89 111 GLY N 777.87 31.80 90 113 THR N 813.33 40.68 91 114 PHE N 820.68 32.63 92 115 GLN N 769.00 34.75 93 116 LEU N 833.26 32.75 94 117 MET N 824.26 28.53 95 118 GLY N 814.73 39.49 96 119 LEU N 812.51 35.41 97 121 GLY N 800.04 32.68 98 123 GLU N 865.68 35.96 99 125 ASP N 777.81 38.37 100 126 LEU N 779.51 34.85 101 127 SER N 834.27 31.79 102 128 SER N 760.84 102.3 103 130 ILE N 768.69 31.40 104 131 LYS N 758.92 23.30 105 133 ARG N 760.39 33.85 106 134 PHE N 726.54 73.95 107 135 ALA N 730.06 45.58 108 136 GLN N 780.44 37.23 109 137 LEU N 774.96 31.66 110 138 CYS N 760.80 31.12 111 141 HIS N 820.81 31.22 112 142 GLY N 808.98 25.66 113 143 ILE N 826.78 31.54 114 144 LEU N 828.26 29.73 115 145 ARG N 838.03 29.86 116 146 GLU N 782.39 28.76 117 148 ILE N 786.73 29.97 118 149 ILE N 800.90 39.04 119 150 ASP N 827.88 28.08 120 151 LEU N 859.39 41.27 121 152 SER N 727.94 45.42 122 153 ASN N 740.89 52.53 123 160 ALA N 707.01 47.15 124 162 GLU N 903.77 32.55 stop_ save_ save_303_600_bound_t1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $303K _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name MUP-I _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 745.35 56.51 2 4 SER N 772.16 63.71 3 5 SER N 698.84 48.97 4 6 THR N 660.36 48.86 5 7 GLY N 672.52 47.90 6 10 PHE N 766.06 64.77 7 11 ASN N 720.98 54.20 8 12 VAL N 731.27 50.34 9 13 GLU N 671.20 44.36 10 15 ILE N 692.68 46.17 11 16 ASN N 665.46 43.96 12 17 GLY N 674.78 40.60 13 18 GLU N 684.12 46.60 14 20 HIS N 725.19 53.49 15 21 THR N 754.24 65.41 16 22 ILE N 695.61 41.41 17 23 ILE N 714.44 49.34 18 27 ASP N 655.39 41.11 19 29 ARG N 696.70 59.09 20 31 LYS N 662.40 44.85 21 32 ILE N 642.50 43.79 22 33 GLU N 695.79 46.29 23 35 ASN N 703.54 49.64 24 36 GLY N 654.51 44.87 25 37 ASN N 753.47 64.73 26 39 ARG N 678.44 43.05 27 40 LEU N 764.61 55.58 28 42 LEU N 721.88 47.12 29 43 GLU N 682.36 42.80 30 45 ILE N 685.65 47.58 31 46 HIS N 679.51 47.90 32 47 VAL N 689.89 48.03 33 48 LEU N 697.92 44.87 34 50 ASN N 799.96 64.77 35 51 SER N 726.02 46.35 36 52 LEU N 705.79 51.15 37 53 VAL N 713.50 46.97 38 54 LEU N 686.84 46.20 39 55 LYS N 745.58 54.81 40 57 HIS N 695.45 41.95 41 58 THR N 720.80 45.65 42 60 ARG N 684.26 44.26 43 61 ASP N 700.29 52.54 44 62 GLU N 698.17 51.37 45 64 CYS N 753.17 56.01 46 65 SER N 705.69 57.42 47 66 GLU N 723.67 55.79 48 67 LEU N 681.97 43.91 49 68 SER N 741.94 52.46 50 69 MET N 711.94 49.30 51 71 ALA N 673.63 42.48 52 72 ASP N 715.57 51.11 53 74 THR N 700.52 42.42 54 75 GLU N 725.04 60.67 55 76 LYS N 703.99 50.51 56 77 ALA N 764.12 64.90 57 78 GLY N 800.55 65.38 58 79 GLU N 692.06 45.51 59 81 SER N 689.79 44.55 60 82 VAL N 676.90 45.88 61 83 THR N 701.61 48.32 62 84 TYR N 734.36 52.33 63 85 ASP N 701.15 51.02 64 86 GLY N 697.04 46.52 65 87 PHE N 689.98 44.42 66 89 THR N 690.97 50.32 67 90 PHE N 738.95 56.72 68 91 THR N 680.88 41.67 69 92 ILE N 733.99 55.22 70 94 LYS N 690.03 47.55 71 95 THR N 719.58 53.61 72 96 ASP N 692.21 42.07 73 97 TYR N 650.50 45.85 74 98 ASP N 670.84 41.90 75 99 ASN N 697.83 44.09 76 100 PHE N 725.02 45.39 77 102 MET N 687.52 42.47 78 103 ALA N 721.13 52.43 79 104 HIS N 737.85 54.03 80 105 LEU N 692.58 48.85 81 107 ASN N 653.82 43.90 82 108 GLU N 686.95 46.08 83 109 LYS N 688.14 47.96 84 110 ASP N 733.29 60.80 85 111 GLY N 707.91 48.67 86 113 THR N 776.46 71.33 87 114 PHE N 692.94 45.45 88 115 GLN N 687.79 43.85 89 116 LEU N 700.01 47.50 90 117 MET N 703.59 46.68 91 121 GLY N 718.03 43.71 92 123 GLU N 773.44 70.89 93 125 ASP N 686.15 44.28 94 126 LEU N 747.64 58.88 95 127 SER N 725.32 48.44 96 128 SER N 795.83 61.10 97 129 ASP N 720.72 49.54 98 131 LYS N 671.91 44.28 99 133 ARG N 662.13 43.69 100 134 PHE N 747.25 53.65 101 135 ALA N 656.98 43.87 102 136 GLN N 664.19 46.91 103 138 CYS N 668.80 40.71 104 141 HIS N 708.65 47.17 105 142 GLY N 714.05 44.20 106 143 ILE N 743.16 55.02 107 144 LEU N 702.93 49.38 108 145 ARG N 712.76 51.75 109 146 GLU N 673.83 46.35 110 148 ILE N 673.35 45.44 111 149 ILE N 713.80 44.34 112 150 ASP N 700.52 49.69 113 151 LEU N 743.89 54.74 114 152 SER N 690.66 46.72 115 153 ASN N 709.81 52.31 116 155 ASN N 699.92 61.21 117 156 ARG N 717.60 51.20 118 160 ALA N 678.94 51.20 119 162 GLU N 837.09 77.65 stop_ save_ save_308_600_bound_t1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $308K _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name MUP-I _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 715.58 3.26 2 4 SER N 703.05 8.50 3 6 THR N 557.24 8.86 4 10 PHE N 667.60 21.1 5 11 ASN N 634.06 6.62 6 12 VAL N 735.70 7.04 7 13 GLU N 728.44 13.6 8 16 ASN N 673.84 13.6 9 17 GLY N 663.22 7.91 10 18 GLU N 648.59 12.3 11 19 TRP N 673.89 9.44 12 21 THR N 640.69 19.4 13 22 ILE N 654.44 6.62 14 23 ILE N 658.77 11.3 15 26 SER N 675.39 11.6 16 27 ASP N 621.58 25.8 17 29 ARG N 633.16 16.3 18 30 GLU N 617.94 12.4 19 31 LYS N 647.56 7.48 20 32 ILE N 588.62 15.2 21 33 GLU N 642.62 10.8 22 35 ASN N 620.10 24.4 23 36 GLY N 622.76 9.61 24 38 PHE N 629.70 11.1 25 39 ARG N 646.72 12.1 26 40 LEU N 702.56 7.90 27 42 LEU N 615.61 24.3 28 43 GLU N 615.91 5.69 29 45 ILE N 673.41 7.77 30 46 HIS N 688.15 9.79 31 47 VAL N 717.55 13.0 32 48 LEU N 665.36 3.57 33 50 ASN N 624.64 40.5 34 51 SER N 617.00 3.95 35 52 LEU N 673.54 7.89 36 53 VAL N 692.72 7.96 37 54 LEU N 666.46 5.77 38 57 HIS N 654.24 11.8 39 60 ARG N 650.73 6.01 40 61 ASP N 666.74 16.0 41 62 GLU N 663.00 3.19 42 64 CYS N 689.03 26.5 43 65 SER N 680.32 5.20 44 66 GLU N 687.98 9.06 45 67 LEU N 646.63 6.19 46 68 SER N 688.48 11.6 47 69 MET N 655.64 4.27 48 71 ALA N 659.93 4.10 49 72 ASP N 723.16 8.92 50 74 THR N 678.25 10.5 51 75 GLU N 676.99 14.4 52 77 ALA N 688.12 21.6 53 78 GLY N 688.71 26.9 54 79 GLU N 625.99 3.34 55 80 TYR N 644.81 7.79 56 81 SER N 649.11 3.02 57 82 VAL N 635.88 8.98 58 84 TYR N 715.46 7.99 59 85 ASP N 619.31 13.7 60 86 GLY N 652.64 6.42 61 87 PHE N 655.73 8.32 62 88 ASN N 685.76 6.93 63 89 THR N 647.86 7.47 64 90 PHE N 729.83 11.1 65 91 THR N 631.26 4.60 66 92 ILE N 645.24 9.26 67 94 LYS N 683.95 6.63 68 95 THR N 711.64 8.99 69 96 ASP N 652.45 14.3 70 97 TYR N 634.05 6.57 71 98 ASP N 635.11 5.53 72 99 ASN N 740.82 27.5 73 100 PHE N 693.45 5.80 74 103 ALA N 713.73 7.41 75 104 HIS N 734.68 5.55 76 105 LEU N 670.75 6.24 77 107 ASN N 635.62 5.77 78 108 GLU N 646.25 5.45 79 109 LYS N 649.57 6.19 80 111 GLY N 639.18 4.82 81 114 PHE N 687.11 4.07 82 115 GLN N 648.16 4.23 83 116 LEU N 673.39 4.91 84 117 MET N 701.62 6.70 85 118 GLY N 695.70 5.15 86 121 GLY N 673.49 3.48 87 123 GLU N 651.31 3.39 88 125 ASP N 664.39 8.75 89 126 LEU N 744.03 11.0 90 127 SER N 678.94 4.07 91 129 ASP N 654.72 9.14 92 130 ILE N 666.37 7.96 93 131 LYS N 637.60 4.47 94 133 ARG N 643.71 8.76 95 136 GLN N 653.30 10.2 96 137 LEU N 661.77 14.5 97 138 CYS N 647.43 25.3 98 140 LYS N 669.47 11.3 99 142 GLY N 724.49 16.7 100 143 ILE N 664.55 10.4 101 144 LEU N 726.21 8.83 102 145 ARG N 702.67 7.10 103 146 GLU N 648.37 14.9 104 148 ILE N 669.45 5.81 105 150 ASP N 706.20 8.85 106 151 LEU N 702.85 7.51 107 152 SER N 587.11 8.45 108 153 ASN N 591.28 19.1 109 155 ASN N 601.52 13.9 110 160 ALA N 652.71 17.8 111 162 GLU N 966.01 7.73 stop_ save_ save_291_500_bound_t1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $291K _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name MUP-I _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 842.01 13.16 2 4 SER N 880.14 28.27 3 5 SER N 807.37 32.16 4 6 THR N 802.51 35.76 5 7 GLY N 906.01 58.99 6 11 ASN N 851.83 64.52 7 13 GLU N 784.44 13.40 8 15 ILE N 789.58 6.809 9 16 ASN N 742.53 10.53 10 17 GLY N 728.14 18.29 11 18 GLU N 736.57 47.10 12 19 TRP N 776.25 42.14 13 20 HIS N 817.62 31.58 14 22 ILE N 805.96 74.75 15 23 ILE N 804.56 33.55 16 26 SER N 765.12 19.98 17 27 ASP N 744.50 12.74 18 29 ARG N 739.02 22.71 19 30 GLU N 758.57 16.52 20 31 LYS N 767.10 21.15 21 32 ILE N 701.47 49.01 22 33 GLU N 777.75 23.18 23 36 GLY N 786.20 47.74 24 37 ASN N 814.25 30.27 25 39 ARG N 780.67 29.71 26 40 LEU N 861.60 26.28 27 45 ILE N 752.25 17.78 28 46 HIS N 762.69 18.31 29 47 VAL N 756.93 20.98 30 48 LEU N 735.89 19.02 31 50 ASN N 851.36 30.47 32 51 SER N 802.14 13.40 33 52 LEU N 789.39 23.69 34 54 LEU N 764.21 20.45 35 58 THR N 744.23 30.35 36 60 ARG N 734.62 21.22 37 61 ASP N 759.23 18.94 38 62 GLU N 747.46 19.38 39 64 CYS N 835.43 23.58 40 66 GLU N 847.32 19.92 41 67 LEU N 764.33 22.10 42 68 SER N 808.48 16.04 43 69 MET N 749.11 27.56 44 71 ALA N 733.69 12.14 45 72 ASP N 818.67 20.24 46 74 THR N 808.98 25.78 47 75 GLU N 817.44 31.26 48 77 ALA N 857.55 23.16 49 78 GLY N 870.26 35.02 50 79 GLU N 784.85 27.01 51 80 TYR N 776.44 45.57 52 81 SER N 774.68 24.92 53 82 VAL N 775.75 30.66 54 84 TYR N 831.78 28.36 55 85 ASP N 786.57 26.12 56 86 GLY N 776.10 21.43 57 87 PHE N 767.39 27.98 58 89 THR N 774.78 12.91 59 90 PHE N 796.89 16.56 60 91 THR N 769.50 19.39 61 94 LYS N 793.80 18.14 62 95 THR N 828.74 31.83 63 96 ASP N 799.25 16.09 64 98 ASP N 816.13 30.03 65 100 PHE N 813.39 19.98 66 103 ALA N 797.49 34.36 67 105 LEU N 802.13 34.50 68 107 ASN N 783.50 25.42 69 108 GLU N 762.10 16.59 70 109 LYS N 786.93 24.19 71 110 ASP N 802.47 23.33 72 111 GLY N 790.38 23.03 73 115 GLN N 762.08 18.99 74 117 MET N 769.14 30.99 75 118 GLY N 840.01 36.14 76 121 GLY N 767.68 28.10 77 123 GLU N 840.38 29.22 78 125 ASP N 808.69 17.58 79 126 LEU N 876.89 27.39 80 127 SER N 857.28 28.89 81 128 SER N 879.95 31.59 82 130 ILE N 839.36 30.16 83 131 LYS N 788.81 30.25 84 133 ARG N 785.82 21.23 85 136 GLN N 748.72 12.19 86 137 LEU N 735.60 15.30 87 138 CYS N 744.62 20.67 88 140 LYS N 737.54 14.47 89 141 HIS N 806.95 10.68 90 142 GLY N 743.16 15.67 91 144 LEU N 753.38 12.71 92 145 ARG N 760.60 11.85 93 146 GLU N 753.75 10.32 94 148 ILE N 748.84 12.45 95 150 ASP N 775.61 21.26 96 151 LEU N 911.25 49.53 97 152 SER N 895.41 76.15 98 153 ASN N 854.57 46.46 99 155 ASN N 843.52 71.99 100 160 ALA N 678.43 19.73 101 162 GLU N 774.18 6.650 stop_ save_ save_297_500_bound_t1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $297K _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name MUP-I _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 753.03 28.87 2 4 SER N 783.99 24.55 3 5 SER N 729.60 20.11 4 6 THR N 707.50 25.96 5 7 GLY N 802.27 31.10 6 10 PHE N 844.43 25.17 7 11 ASN N 768.75 35.18 8 12 VAL N 708.24 14.54 9 13 GLU N 686.38 8.505 10 15 ILE N 633.70 10.33 11 16 ASN N 635.73 9.055 12 17 GLY N 626.88 11.45 13 18 GLU N 625.50 12.94 14 19 TRP N 687.15 23.63 15 20 HIS N 834.79 52.26 16 21 THR N 783.88 52.39 17 22 ILE N 670.50 33.08 18 23 ILE N 686.07 10.47 19 26 SER N 669.02 6.589 20 27 ASP N 636.54 11.89 21 29 ARG N 670.17 15.29 22 30 GLU N 666.87 10.25 23 31 LYS N 660.87 10.45 24 32 ILE N 631.41 20.96 25 33 GLU N 672.80 17.06 26 36 GLY N 707.14 37.21 27 37 ASN N 698.91 31.28 28 42 LEU N 717.45 54.76 29 43 GLU N 629.64 53.38 30 45 ILE N 648.03 15.65 31 46 HIS N 656.21 18.35 32 47 VAL N 656.85 16.98 33 48 LEU N 649.81 8.771 34 50 ASN N 747.43 35.98 35 51 SER N 704.37 14.12 36 52 LEU N 661.52 19.20 37 54 LEU N 634.93 17.49 38 57 HIS N 704.89 22.35 39 58 THR N 707.29 23.11 40 60 ARG N 654.03 14.91 41 62 GLU N 647.68 9.101 42 64 CYS N 711.17 13.2 43 65 SER N 716.88 30.85 44 66 GLU N 730.41 15.38 45 67 LEU N 668.01 23.35 46 68 SER N 702.34 12.93 47 69 MET N 639.94 11.10 48 71 ALA N 638.24 15.61 49 74 THR N 705.68 18.66 50 75 GLU N 747.75 11.86 51 77 ALA N 765.40 20.71 52 78 GLY N 793.66 30.26 53 79 GLU N 709.62 24.55 54 80 TYR N 652.38 18.22 55 81 SER N 680.21 16.43 56 82 VAL N 670.04 12.41 57 84 TYR N 734.21 15.44 58 85 ASP N 682.80 14.20 59 87 PHE N 667.24 16.74 60 89 THR N 657.91 12.52 61 90 PHE N 711.52 14.08 62 91 THR N 678.14 19.31 63 92 ILE N 725.06 21.31 64 94 LYS N 691.91 12.84 65 95 THR N 698.14 18.53 66 97 TYR N 625.62 11.03 67 98 ASP N 616.46 19.13 68 100 PHE N 703.34 19.58 69 103 ALA N 701.00 28.00 70 104 HIS N 692.54 5.442 71 105 LEU N 678.14 20.04 72 107 ASN N 649.68 11.58 73 108 GLU N 670.37 19.80 74 109 LYS N 686.13 16.8 75 110 ASP N 719.83 23.47 76 111 GLY N 703.11 12.21 77 113 THR N 692.80 10.68 78 115 GLN N 660.03 13.31 79 117 MET N 657.84 17.84 80 118 GLY N 701.88 26.41 81 121 GLY N 681.11 18.12 82 123 GLU N 702.34 13.48 83 125 ASP N 677.34 14.37 84 126 LEU N 769.45 19.16 85 127 SER N 720.61 22.73 86 128 SER N 773.37 40.81 87 129 ASP N 650.21 11.79 88 130 ILE N 726.83 17.22 89 131 LYS N 683.99 26.48 90 133 ARG N 671.36 14.84 91 136 GLN N 640.87 14.62 92 137 LEU N 641.75 8.964 93 138 CYS N 665.22 11.79 94 140 LYS N 647.14 9.142 95 141 HIS N 697.53 12.54 96 142 GLY N 663.77 7.617 97 144 LEU N 678.41 15.66 98 145 ARG N 680.65 6.304 99 146 GLU N 652.26 12.49 100 148 ILE N 662.48 8.285 101 150 ASP N 680.44 9.213 102 151 LEU N 739.00 22.55 103 152 SER N 703.89 27.66 104 153 ASN N 724.86 23.42 105 155 ASN N 728.87 67.13 106 160 ALA N 682.55 18.08 107 162 GLU N 803.48 6.180 stop_ save_ save_302_500_bound_t1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $302K _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name MUP-I _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 680.48 7.96 2 4 SER N 694.45 14.8 3 6 THR N 563.04 35.0 4 10 PHE N 764.20 19.9 5 11 ASN N 660.73 15.5 6 12 VAL N 635.77 22.9 7 13 GLU N 601.41 17.8 8 16 ASN N 550.30 37.0 9 17 GLY N 572.61 11.3 10 18 GLU N 630.80 12.4 11 19 TRP N 611.57 21.8 12 21 THR N 728.15 40.0 13 22 ILE N 620.45 21.8 14 23 ILE N 608.92 24.8 15 26 SER N 582.78 17.6 16 27 ASP N 570.76 17.4 17 29 ARG N 603.86 5.59 18 30 GLU N 591.68 9.31 19 31 LYS N 589.16 13.0 20 32 ILE N 551.87 8.44 21 33 GLU N 479.69 107. 22 35 ASN N 627.20 18.7 23 36 GLY N 594.19 15.7 24 39 ARG N 551.80 40.0 25 40 LEU N 562.64 101. 26 42 LEU N 605.23 44.6 27 43 GLU N 572.28 14.5 28 46 HIS N 591.66 15.9 29 47 VAL N 611.63 7.64 30 48 LEU N 587.86 11.3 31 50 ASN N 725.17 36.9 32 51 SER N 628.38 13.1 33 52 LEU N 615.30 10.2 34 54 LEU N 579.91 9.28 35 60 ARG N 593.62 13.7 36 61 ASP N 619.58 10.7 37 62 GLU N 617.78 18.0 38 64 CYS N 667.42 9.27 39 65 SER N 667.34 21.5 40 66 GLU N 650.54 8.94 41 67 LEU N 601.76 12.4 42 68 SER N 642.49 10.7 43 69 MET N 605.78 17.1 44 71 ALA N 579.72 8.28 45 74 THR N 625.14 16.5 46 75 GLU N 655.74 15.4 47 77 ALA N 685.44 18.0 48 79 GLU N 607.62 18.5 49 81 SER N 604.48 9.91 50 82 VAL N 584.27 8.11 51 84 TYR N 613.25 12.2 52 85 ASP N 626.19 15.5 53 86 GLY N 602.77 8.27 54 88 ASN N 608.73 21.4 55 89 THR N 577.26 12.5 56 90 PHE N 645.39 16.5 57 91 THR N 584.63 8.18 58 94 LYS N 568.84 57.8 59 96 ASP N 537.47 63.0 60 97 TYR N 569.26 16.3 61 98 ASP N 584.39 5.48 62 99 ASN N 608.22 11.0 63 100 PHE N 640.18 11.47 64 101 LEU N 599.50 15.08 65 103 ALA N 614.60 18.47 66 104 HIS N 655.19 10.28 67 105 LEU N 605.87 14.50 68 107 ASN N 548.29 8.27 69 108 GLU N 595.61 9.71 70 110 ASP N 638.75 30.82 71 111 GLY N 644.36 7.01 72 113 THR N 635.06 6.63 73 115 GLN N 609.53 8.28 74 116 LEU N 607.05 9.54 75 117 MET N 602.40 8.59 76 121 GLY N 606.99 19.08 77 125 ASP N 610.23 33.22 78 127 SER N 637.45 14.97 79 128 SER N 727.34 26.67 80 129 ASP N 617.98 16.21 81 130 ILE N 626.67 21.42 82 131 LYS N 597.38 12.26 83 133 ARG N 573.41 10.58 84 136 GLN N 555.51 16.62 85 137 LEU N 588.94 15.71 86 138 CYS N 572.33 17.01 87 140 LYS N 567.04 10.15 88 141 HIS N 614.00 19.13 89 142 GLY N 598.99 9.31 90 144 LEU N 607.05 14.83 91 145 ARG N 642.01 8.44 92 146 GLU N 602.61 4.77 93 148 ILE N 557.44 41.01 94 150 ASP N 613.52 8.55 95 151 LEU N 665.63 21.26 96 152 SER N 638.16 14.15 97 153 ASN N 631.58 17.90 98 155 ASN N 603.11 26.27 99 160 ALA N 698.72 12.67 100 162 GLU N 874.36 23.31 stop_ save_ save_283_600_bound_t2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $283K _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name MUP-I _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 3 ALA N 56.03 2.72 . . 2 4 SER N 57.05 3.62 . . 3 5 SER N 47.09 1.45 . . 4 6 THR N 48.21 1.67 . . 5 7 GLY N 51.15 1.70 . . 6 10 PHE N 56.37 1.52 . . 7 11 ASN N 53.45 0.88 . . 8 12 VAL N 54.11 2.92 . . 9 13 GLU N 50.33 2.26 . . 10 15 ILE N 54.61 2.10 . . 11 16 ASN N 47.01 1.96 . . 12 17 GLY N 58.26 3.94 . . 13 18 GLU N 128.45 9.05 . . 14 22 ILE N 51.42 3.08 . . 15 23 ILE N 53.49 2.26 . . 16 26 SER N 52.63 3.00 . . 17 27 ASP N 48.78 1.88 . . 18 29 ARG N 63.74 3.06 . . 19 30 GLU N 55.23 2.17 . . 20 31 LYS N 50.50 3.09 . . 21 32 ILE N 55.64 1.51 . . 22 33 GLU N 53.54 1.64 . . 23 36 GLY N 49.67 1.35 . . 24 37 ASN N 50.43 2.56 . . 25 38 PHE N 50.33 2.21 . . 26 46 HIS N 52.53 3.39 . . 27 48 LEU N 57.00 1.88 . . 28 50 ASN N 55.31 2.06 . . 29 51 SER N 56.93 2.78 . . 30 52 LEU N 55.46 3.03 . . 31 54 LEU N 56.57 3.01 . . 32 55 LYS N 52.41 2.33 . . 33 61 ASP N 55.25 3.97 . . 34 66 GLU N 53.73 2.79 . . 35 67 LEU N 55.69 2.57 . . 36 68 SER N 49.87 2.71 . . 37 70 VAL N 54.34 2.30 . . 38 71 ALA N 57.85 2.56 . . 39 72 ASP N 52.64 1.80 . . 40 74 THR N 60.69 2.53 . . 41 75 GLU N 61.77 3.00 . . 42 76 LYS N 52.75 2.16 . . 43 78 GLY N 60.86 1.46 . . 44 79 GLU N 47.25 2.03 . . 45 80 TYR N 54.92 3.12 . . 46 81 SER N 54.77 2.21 . . 47 82 VAL N 53.87 1.86 . . 48 84 TYR N 54.73 1.93 . . 49 85 ASP N 57.09 2.34 . . 50 86 GLY N 52.09 2.02 . . 51 89 THR N 54.83 2.93 . . 52 90 PHE N 49.44 2.21 . . 53 91 THR N 55.86 2.28 . . 54 92 ILE N 49.14 1.29 . . 55 94 LYS N 52.36 2.56 . . 56 96 ASP N 48.22 1.27 . . 57 98 ASP N 52.57 1.70 . . 58 100 PHE N 50.16 2.12 . . 59 101 LEU N 49.40 4.04 . . 60 103 ALA N 52.75 2.46 . . 61 104 HIS N 60.28 3.09 . . 62 105 LEU N 52.51 3.05 . . 63 107 ASN N 57.31 4.33 . . 64 108 GLU N 53.82 2.14 . . 65 109 LYS N 56.62 2.83 . . 66 110 ASP N 54.75 1.18 . . 67 111 GLY N 56.49 2.43 . . 68 113 THR N 59.63 1.89 . . 69 114 PHE N 61.87 3.90 . . 70 115 GLN N 53.25 1.12 . . 71 116 LEU N 49.91 2.25 . . 72 117 MET N 50.01 2.09 . . 73 118 GLY N 48.02 2.58 . . 74 119 LEU N 48.97 2.07 . . 75 121 GLY N 48.21 3.92 . . 76 123 GLU N 58.07 2.59 . . 77 125 ASP N 48.49 2.12 . . 78 126 LEU N 52.00 2.35 . . 79 127 SER N 56.27 2.36 . . 80 129 ASP N 49.35 1.59 . . 81 130 ILE N 47.80 2.60 . . 82 131 LYS N 47.67 2.22 . . 83 133 ARG N 48.89 1.74 . . 84 135 ALA N 51.47 2.63 . . 85 136 GLN N 55.29 2.46 . . 86 137 LEU N 49.87 2.43 . . 87 138 CYS N 51.87 2.36 . . 88 140 LYS N 53.01 3.35 . . 89 141 HIS N 54.76 0.80 . . 90 142 GLY N 53.66 2.08 . . 91 144 LEU N 61.40 3.62 . . 92 145 ARG N 63.33 2.17 . . 93 148 ILE N 56.96 2.40 . . 94 151 LEU N 50.91 1.75 . . 95 152 SER N 49.16 1.29 . . 96 162 GLU N 178.30 9.15 . . stop_ save_ save_288_600_bound_t2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $288K _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name MUP-I _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 3 ALA N 70.24 3.28 . . 2 4 SER N 72.43 3.00 . . 3 5 SER N 60.93 3.06 . . 4 6 THR N 61.25 2.15 . . 5 7 GLY N 73.00 3.59 . . 6 10 PHE N 72.99 2.01 . . 7 12 VAL N 66.91 2.64 . . 8 13 GLU N 57.84 1.69 . . 9 15 ILE N 70.27 3.15 . . 10 16 ASN N 60.34 2.58 . . 11 17 GLY N 70.39 3.33 . . 12 18 GLU N 147.78 9.00 . . 13 19 TRP N 62.04 3.48 . . 14 20 HIS N 52.04 3.46 . . 15 21 THR N 62.83 2.71 . . 16 22 ILE N 62.41 3.83 . . 17 23 ILE N 68.43 2.74 . . 18 26 SER N 70.11 3.45 . . 19 27 ASP N 67.39 2.36 . . 20 29 ARG N 71.87 1.94 . . 21 30 GLU N 67.63 2.54 . . 22 31 LYS N 62.85 3.05 . . 23 32 ILE N 66.67 2.80 . . 24 33 GLU N 65.93 3.14 . . 25 35 ASN N 65.28 2.39 . . 26 36 GLY N 63.02 2.31 . . 27 37 ASN N 60.19 2.38 . . 28 38 PHE N 65.12 2.24 . . 29 39 ARG N 60.84 2.71 . . 30 40 LEU N 61.41 2.39 . . 31 42 LEU N 58.48 1.49 . . 32 45 ILE N 67.98 3.05 . . 33 46 HIS N 64.17 3.27 . . 34 48 LEU N 71.07 2.35 . . 35 50 ASN N 67.35 2.26 . . 36 51 SER N 70.62 2.03 . . 37 52 LEU N 69.64 2.74 . . 38 53 VAL N 67.18 2.98 . . 39 54 LEU N 70.17 2.40 . . 40 55 LYS N 63.26 2.12 . . 41 57 HIS N 47.43 2.38 . . 42 60 ARG N 73.44 3.93 . . 43 61 ASP N 65.80 2.17 . . 44 62 GLU N 27.69 2.73 . . 45 64 CYS N 67.12 2.55 . . 46 66 GLU N 65.08 2.86 . . 47 67 LEU N 67.61 2.87 . . 48 68 SER N 68.47 2.16 . . 49 69 MET N 62.47 2.26 . . 50 71 ALA N 69.40 2.80 . . 51 72 ASP N 70.73 2.84 . . 52 74 THR N 76.76 3.05 . . 53 75 GLU N 76.38 2.84 . . 54 77 ALA N 67.97 2.59 . . 55 78 GLY N 72.04 2.82 . . 56 79 GLU N 61.16 1.98 . . 57 80 TYR N 64.24 2.10 . . 58 81 SER N 68.23 2.34 . . 59 82 VAL N 66.52 2.31 . . 60 84 TYR N 69.19 1.19 . . 61 85 ASP N 70.11 2.02 . . 62 86 GLY N 65.84 2.03 . . 63 87 PHE N 64.97 3.23 . . 64 88 ASN N 67.58 2.25 . . 65 89 THR N 69.44 2.63 . . 66 90 PHE N 62.02 2.72 . . 67 91 THR N 68.00 2.41 . . 68 92 ILE N 65.06 1.21 . . 69 94 LYS N 59.97 1.53 . . 70 95 THR N 60.63 3.40 . . 71 96 ASP N 60.35 2.42 . . 72 97 TYR N 62.22 2.23 . . 73 98 ASP N 65.77 2.54 . . 74 100 PHE N 61.05 2.38 . . 75 101 LEU N 61.49 2.62 . . 76 102 MET N 65.84 2.85 . . 77 103 ALA N 62.87 2.83 . . 78 104 HIS N 72.14 2.57 . . 79 105 LEU N 64.45 2.58 . . 80 107 ASN N 73.21 4.45 . . 81 108 GLU N 66.90 3.44 . . 82 109 LYS N 69.28 2.60 . . 83 110 ASP N 68.39 2.52 . . 84 111 GLY N 70.43 2.88 . . 85 113 THR N 72.76 2.68 . . 86 114 PHE N 70.08 2.21 . . 87 115 GLN N 68.33 2.97 . . 88 116 LEU N 61.92 2.53 . . 89 117 MET N 65.59 4.05 . . 90 118 GLY N 61.44 2.46 . . 91 121 GLY N 58.90 1.11 . . 92 123 GLU N 64.34 2.70 . . 93 125 ASP N 62.73 2.28 . . 94 126 LEU N 78.21 5.50 . . 95 127 SER N 72.68 1.81 . . 96 128 SER N 63.30 2.92 . . 97 130 ILE N 62.88 2.60 . . 98 131 LYS N 64.31 2.07 . . 99 134 PHE N 58.16 2.34 . . 100 135 ALA N 63.35 1.94 . . 101 136 GLN N 67.59 2.58 . . 102 137 LEU N 64.42 2.42 . . 103 138 CYS N 68.16 2.32 . . 104 140 LYS N 63.92 2.30 . . 105 141 HIS N 67.75 2.48 . . 106 142 GLY N 66.19 2.14 . . 107 145 ARG N 68.42 2.95 . . 108 146 GLU N 68.37 2.83 . . 109 148 ILE N 68.53 2.74 . . 110 151 LEU N 71.37 5.41 . . 111 152 SER N 45.71 3.27 . . 112 153 ASN N 49.46 3.41 . . 113 160 ALA N 81.45 3.60 . . stop_ save_ save_293_600_bound_t2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $293K _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name MUP-I _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 3 ALA N 77.99 2.15 . . 2 5 SER N 50.18 5.23 . . 3 6 THR N 57.64 1.50 . . 4 7 GLY N 76.00 7.38 . . 5 10 PHE N 77.53 4.62 . . 6 11 ASN N 69.75 4.33 . . 7 12 VAL N 75.72 2.76 . . 8 13 GLU N 49.04 12.77 . . 9 15 ILE N 74.44 4.80 . . 10 16 ASN N 64.62 5.30 . . 11 18 GLU N 58.58 3.79 . . 12 19 TRP N 64.61 3.01 . . 13 20 HIS N 68.86 1.18 . . 14 22 ILE N 82.78 6.96 . . 15 23 ILE N 64.02 1.80 . . 16 26 SER N 86.84 5.89 . . 17 27 ASP N 74.21 5.49 . . 18 29 ARG N 77.73 5.28 . . 19 30 GLU N 67.52 4.78 . . 20 31 LYS N 53.71 3.94 . . 21 32 ILE N 72.99 3.29 . . 22 33 GLU N 56.88 3.63 . . 23 36 GLY N 73.63 3.40 . . 24 37 ASN N 62.15 8.00 . . 25 39 ARG N 60.91 3.34 . . 26 40 LEU N 55.07 2.47 . . 27 43 GLU N 53.82 6.92 . . 28 45 ILE N 66.34 8.66 . . 29 46 HIS N 78.36 3.37 . . 30 47 VAL N 80.45 4.63 . . 31 48 LEU N 68.78 15.78 . . 32 50 ASN N 69.93 2.57 . . 33 51 SER N 64.62 2.13 . . 34 52 LEU N 54.32 1.98 . . 35 53 VAL N 78.81 2.03 . . 36 54 LEU N 75.31 2.72 . . 37 55 LYS N 64.73 2.55 . . 38 57 HIS N 51.89 2.50 . . 39 60 ARG N 66.93 4.82 . . 40 61 ASP N 79.24 12.63 . . 41 62 GLU N 33.82 1.40 . . 42 64 CYS N 67.91 6.56 . . 43 66 GLU N 83.90 3.96 . . 44 67 LEU N 65.41 7.34 . . 45 68 SER N 67.43 3.38 . . 46 69 MET N 65.29 1.89 . . 47 71 ALA N 74.97 3.53 . . 48 72 ASP N 68.98 2.65 . . 49 74 THR N 69.78 1.96 . . 50 75 GLU N 61.65 4.30 . . 51 76 LYS N 43.42 5.89 . . 52 77 ALA N 66.13 1.90 . . 53 78 GLY N 69.38 6.64 . . 54 79 GLU N 54.73 2.76 . . 55 80 TYR N 67.29 3.49 . . 56 81 SER N 68.07 2.18 . . 57 82 VAL N 69.12 2.09 . . 58 83 THR N 66.89 10.05 . . 59 84 TYR N 76.97 4.93 . . 60 86 GLY N 75.21 7.96 . . 61 87 PHE N 58.62 6.21 . . 62 88 ASN N 68.88 10.55 . . 63 89 THR N 75.50 3.62 . . 64 90 PHE N 51.36 3.27 . . 65 91 THR N 65.27 4.01 . . 66 92 ILE N 66.62 4.00 . . 67 94 LYS N 66.30 3.38 . . 68 95 THR N 56.21 6.70 . . 69 96 ASP N 55.99 1.63 . . 70 97 TYR N 58.65 2.58 . . 71 98 ASP N 76.98 3.62 . . 72 101 LEU N 32.83 6.83 . . 73 102 MET N 71.55 4.33 . . 74 103 ALA N 63.78 2.57 . . 75 104 HIS N 80.85 15.75 . . 76 105 LEU N 69.16 5.70 . . 77 108 GLU N 58.68 4.27 . . 78 109 LYS N 73.04 4.31 . . 79 110 ASP N 70.91 9.26 . . 80 111 GLY N 71.47 4.05 . . 81 115 GLN N 58.96 2.39 . . 82 116 LEU N 73.67 2.30 . . 83 117 MET N 79.42 1.43 . . 84 118 GLY N 76.49 5.41 . . 85 119 LEU N 66.81 1.40 . . 86 120 TYR N 87.17 2.60 . . 87 121 GLY N 67.20 2.68 . . 88 123 GLU N 68.28 1.89 . . 89 125 ASP N 58.69 0.66 . . 90 128 SER N 61.20 5.41 . . 91 129 ASP N 60.20 6.36 . . 92 130 ILE N 66.92 3.22 . . 93 131 LYS N 60.75 19.43 . . 94 134 PHE N 56.15 2.49 . . 95 135 ALA N 73.76 3.13 . . 96 136 GLN N 53.50 2.36 . . 97 137 LEU N 60.90 3.81 . . 98 138 CYS N 82.49 3.45 . . 99 141 HIS N 84.32 3.87 . . 100 142 GLY N 63.52 2.25 . . 101 143 ILE N 54.91 3.83 . . 102 144 LEU N 70.30 6.28 . . 103 145 ARG N 78.18 2.90 . . 104 148 ILE N 70.82 5.22 . . 105 151 LEU N 67.78 4.57 . . 106 156 ARG N 91.46 2.60 . . 107 160 ALA N 93.52 4.40 . . 108 162 GLU N 240.81 3.53 . . stop_ save_ save_298_600_bound_t2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $298K _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name MUP-I _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 3 ALA N 88.64 6.86 . . 2 4 SER N 87.48 5.35 . . 3 5 SER N 57.50 2.63 . . 4 6 THR N 50.37 2.56 . . 5 7 GLY N 82.83 5.04 . . 6 10 PHE N 80.17 7.02 . . 7 11 ASN N 62.87 3.38 . . 8 12 VAL N 91.17 5.63 . . 9 13 GLU N 52.65 2.28 . . 10 15 ILE N 93.00 6.74 . . 11 16 ASN N 59.41 2.81 . . 12 17 GLY N 85.82 4.64 . . 13 18 GLU N 93.29 4.17 . . 14 19 TRP N 66.23 0.88 . . 15 20 HIS N 67.21 2.04 . . 16 21 THR N 75.32 3.22 . . 17 22 ILE N 84.10 3.47 . . 18 23 ILE N 93.69 5.48 . . 19 26 SER N 77.17 3.08 . . 20 27 ASP N 58.33 2.57 . . 21 29 ARG N 79.73 7.06 . . 22 30 GLU N 59.85 2.50 . . 23 31 LYS N 90.10 5.56 . . 24 32 ILE N 55.56 1.19 . . 25 33 GLU N 71.51 7.16 . . 26 35 ASN N 166.48 42.22 . . 27 36 GLY N 73.45 4.17 . . 28 37 ASN N 59.73 1.84 . . 29 39 ARG N 75.66 4.23 . . 30 40 LEU N 79.20 5.35 . . 31 42 LEU N 84.66 11.88 . . 32 43 GLU N 58.39 2.27 . . 33 45 ILE N 74.90 5.35 . . 34 46 HIS N 93.81 4.30 . . 35 47 VAL N 91.41 6.03 . . 36 48 LEU N 89.03 5.91 . . 37 50 ASN N 80.19 5.34 . . 38 51 SER N 76.44 5.15 . . 39 52 LEU N 83.49 6.56 . . 40 53 VAL N 80.78 5.18 . . 41 54 LEU N 86.01 6.43 . . 42 55 LYS N 72.00 2.11 . . 43 57 HIS N 72.59 7.39 . . 44 58 THR N 69.21 1.62 . . 45 60 ARG N 81.59 6.16 . . 46 61 ASP N 88.71 3.60 . . 47 62 GLU N 38.78 3.15 . . 48 64 CYS N 92.30 6.92 . . 49 65 SER N 91.42 9.11 . . 50 66 GLU N 88.77 6.62 . . 51 67 LEU N 80.08 6.33 . . 52 68 SER N 86.58 5.15 . . 53 69 MET N 86.75 7.56 . . 54 71 ALA N 89.93 6.53 . . 55 72 ASP N 80.87 5.74 . . 56 74 THR N 64.94 2.29 . . 57 75 GLU N 98.71 8.86 . . 58 76 LYS N 62.09 1.51 . . 59 77 ALA N 78.64 4.96 . . 60 78 GLY N 86.55 5.98 . . 61 79 GLU N 54.04 2.53 . . 62 80 TYR N 75.99 5.05 . . 63 81 SER N 91.83 6.43 . . 64 82 VAL N 57.88 2.73 . . 65 83 THR N 90.41 8.72 . . 66 84 TYR N 85.78 5.88 . . 67 85 ASP N 88.56 6.43 . . 68 86 GLY N 80.00 5.18 . . 69 87 PHE N 73.15 4.58 . . 70 88 ASN N 84.34 6.28 . . 71 89 THR N 79.34 4.88 . . 72 90 PHE N 59.53 2.22 . . 73 91 THR N 77.07 6.63 . . 74 92 ILE N 77.68 6.33 . . 75 94 LYS N 71.76 10.37 . . 76 95 THR N 74.52 3.63 . . 77 96 ASP N 60.60 3.06 . . 78 97 TYR N 78.86 8.00 . . 79 99 ASN N 58.36 2.79 . . 80 100 PHE N 74.34 4.71 . . 81 101 LEU N 79.52 3.21 . . 82 103 ALA N 77.36 3.62 . . 83 104 HIS N 90.17 6.40 . . 84 105 LEU N 73.06 3.83 . . 85 107 ASN N 86.05 7.63 . . 86 108 GLU N 83.39 8.24 . . 87 109 LYS N 76.10 5.10 . . 88 110 ASP N 89.04 9.95 . . 89 111 GLY N 75.96 6.50 . . 90 113 THR N 90.72 5.99 . . 91 114 PHE N 84.98 4.92 . . 92 115 GLN N 73.18 3.18 . . 93 116 LEU N 76.28 2.83 . . 94 117 MET N 81.94 6.12 . . 95 118 GLY N 77.40 1.95 . . 96 119 LEU N 93.65 6.13 . . 97 121 GLY N 75.97 4.16 . . 98 123 GLU N 82.96 4.15 . . 99 125 ASP N 80.81 8.34 . . 100 126 LEU N 87.67 6.78 . . 101 127 SER N 91.31 7.24 . . 102 128 SER N 61.16 1.81 . . 103 130 ILE N 57.51 3.42 . . 104 131 LYS N 77.12 6.41 . . 105 133 ARG N 61.44 2.17 . . 106 134 PHE N 56.39 2.08 . . 107 135 ALA N 81.48 6.38 . . 108 136 GLN N 74.19 4.98 . . 109 137 LEU N 78.39 7.20 . . 110 138 CYS N 81.46 3.93 . . 111 141 HIS N 69.58 8.08 . . 112 142 GLY N 75.65 4.99 . . 113 143 ILE N 51.27 4.01 . . 114 144 LEU N 97.31 6.64 . . 115 145 ARG N 86.34 6.27 . . 116 146 GLU N 74.96 6.59 . . 117 148 ILE N 78.61 4.96 . . 118 149 ILE N 88.21 4.91 . . 119 150 ASP N 105.35 11.06 . . 120 151 LEU N 84.17 4.68 . . 121 152 SER N 54.07 2.54 . . 122 153 ASN N 57.09 2.88 . . 123 160 ALA N 123.35 14.43 . . 124 162 GLU N 251.74 22.66 . . stop_ save_ save_303_600_bound_t2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $303K _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name MUP-I _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 3 ALA N 92.13 5.62 . . 2 4 SER N 103.37 5.60 . . 3 5 SER N 81.25 5.71 . . 4 6 THR N 78.14 7.52 . . 5 7 GLY N 104.67 5.27 . . 6 10 PHE N 89.85 6.97 . . 7 11 ASN N 91.27 6.81 . . 8 12 VAL N 90.87 3.31 . . 9 13 GLU N 57.98 0.26 . . 10 15 ILE N 83.07 2.87 . . 11 16 ASN N 60.03 2.83 . . 12 17 GLY N 89.42 5.02 . . 13 18 GLU N 75.91 4.32 . . 14 20 HIS N 86.47 6.25 . . 15 21 THR N 92.45 6.76 . . 16 22 ILE N 92.60 3.80 . . 17 23 ILE N 81.19 3.60 . . 18 27 ASP N 79.01 8.80 . . 19 29 ARG N 88.89 4.36 . . 20 31 LYS N 79.24 4.85 . . 21 32 ILE N 97.00 7.26 . . 22 33 GLU N 49.79 4.57 . . 23 35 ASN N 94.35 3.53 . . 24 36 GLY N 77.90 0.39 . . 25 37 ASN N 92.51 3.70 . . 26 39 ARG N 79.69 6.31 . . 27 40 LEU N 86.24 5.50 . . 28 42 LEU N 108.11 11.37 . . 29 43 GLU N 77.07 3.60 . . 30 45 ILE N 87.39 6.16 . . 31 46 HIS N 90.00 5.68 . . 32 47 VAL N 90.64 4.45 . . 33 48 LEU N 91.02 15.90 . . 34 50 ASN N 98.59 7.39 . . 35 51 SER N 96.47 86.55 . . 36 52 LEU N 91.56 4.93 . . 37 53 VAL N 85.92 6.46 . . 38 54 LEU N 87.55 5.13 . . 39 55 LYS N 82.82 2.53 . . 40 57 HIS N 84.34 4.80 . . 41 58 THR N 81.50 3.60 . . 42 60 ARG N 92.94 12.68 . . 43 61 ASP N 90.63 2.89 . . 44 62 GLU N 48.25 1.33 . . 45 64 CYS N 94.36 3.70 . . 46 65 SER N 97.52 5.44 . . 47 66 GLU N 92.05 4.20 . . 48 67 LEU N 81.24 7.31 . . 49 68 SER N 96.36 4.37 . . 50 69 MET N 89.98 4.41 . . 51 71 ALA N 92.17 5.49 . . 52 72 ASP N 87.45 4.24 . . 53 74 THR N 90.32 6.72 . . 54 75 GLU N 92.05 7.14 . . 55 76 LYS N 88.56 3.09 . . 56 77 ALA N 92.08 4.43 . . 57 78 GLY N 116.03 5.79 . . 58 79 GLU N 78.32 6.45 . . 59 81 SER N 90.93 4.80 . . 60 82 VAL N 78.63 8.51 . . 61 83 THR N 103.06 4.38 . . 62 84 TYR N 93.26 4.74 . . 63 85 ASP N 93.67 6.43 . . 64 86 GLY N 92.63 4.82 . . 65 87 PHE N 88.91 5.46 . . 66 89 THR N 89.44 6.14 . . 67 90 PHE N 60.18 3.07 . . 68 91 THR N 91.53 4.03 . . 69 92 ILE N 90.66 5.06 . . 70 94 LYS N 83.61 3.94 . . 71 95 THR N 80.35 4.12 . . 72 96 ASP N 86.78 6.95 . . 73 97 TYR N 79.66 6.28 . . 74 98 ASP N 74.78 5.52 . . 75 99 ASN N 85.58 6.82 . . 76 100 PHE N 80.97 6.66 . . 77 102 MET N 97.52 4.84 . . 78 103 ALA N 87.16 3.47 . . 79 104 HIS N 99.91 5.29 . . 80 105 LEU N 88.04 5.62 . . 81 107 ASN N 86.11 4.83 . . 82 108 GLU N 84.11 5.61 . . 83 109 LYS N 89.55 7.04 . . 84 110 ASP N 92.72 2.93 . . 85 111 GLY N 91.68 6.22 . . 86 113 THR N 104.78 4.27 . . 87 114 PHE N 89.50 3.30 . . 88 115 GLN N 89.98 6.82 . . 89 116 LEU N 87.39 3.77 . . 90 117 MET N 84.61 3.88 . . 91 121 GLY N 81.24 4.95 . . 92 123 GLU N 89.57 3.33 . . 93 125 ASP N 82.10 8.96 . . 94 126 LEU N 90.57 6.37 . . 95 127 SER N 93.34 5.14 . . 96 128 SER N 87.92 6.52 . . 97 129 ASP N 85.14 6.47 . . 98 131 LYS N 86.47 5.02 . . 99 133 ARG N 61.37 1.63 . . 100 134 PHE N 61.26 0.80 . . 101 135 ALA N 82.79 4.90 . . 102 136 GLN N 82.29 6.80 . . 103 138 CYS N 79.64 7.23 . . 104 141 HIS N 84.37 8.44 . . 105 142 GLY N 77.23 4.25 . . 106 143 ILE N 64.00 1.48 . . 107 144 LEU N 91.99 5.29 . . 108 145 ARG N 87.75 4.79 . . 109 146 GLU N 84.80 4.88 . . 110 148 ILE N 84.18 6.86 . . 111 149 ILE N 98.80 7.36 . . 112 150 ASP N 96.99 3.61 . . 113 151 LEU N 89.22 5.54 . . 114 152 SER N 77.12 4.08 . . 115 153 ASN N 77.57 5.51 . . 116 155 ASN N 67.62 1.20 . . 117 156 ARG N 50.75 2.17 . . 118 160 ALA N 152.07 7.89 . . 119 162 GLU N 266.65 15.65 . . stop_ save_ save_308_600_bound_t2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $308K _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name MUP-I _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 3 ALA N 107.72 7.17 . . 2 4 SER N 112.72 5.20 . . 3 6 THR N 76.47 4.78 . . 4 10 PHE N 99.73 4.32 . . 5 11 ASN N 96.72 8.22 . . 6 12 VAL N 115.35 6.04 . . 7 13 GLU N 80.49 9.66 . . 8 16 ASN N 82.77 5.47 . . 9 17 GLY N 104.07 5.71 . . 10 18 GLU N 76.19 5.22 . . 11 19 TRP N 97.80 6.21 . . 12 21 THR N 106.36 6.71 . . 13 22 ILE N 107.36 5.68 . . 14 23 ILE N 97.80 6.54 . . 15 26 SER N 92.45 5.08 . . 16 27 ASP N 78.87 5.03 . . 17 29 ARG N 103.08 6.65 . . 18 30 GLU N 87.51 6.77 . . 19 31 LYS N 138.40 5.79 . . 20 32 ILE N 115.87 9.47 . . 21 33 GLU N 75.36 5.92 . . 22 35 ASN N 141.27 3.65 . . 23 36 GLY N 91.49 4.88 . . 24 38 PHE N 85.02 6.49 . . 25 39 ARG N 84.44 5.88 . . 26 40 LEU N 94.39 7.73 . . 27 42 LEU N 116.48 2.81 . . 28 43 GLU N 89.64 7.37 . . 29 45 ILE N 93.65 7.54 . . 30 46 HIS N 95.93 4.84 . . 31 47 VAL N 98.00 4.72 . . 32 48 LEU N 98.78 9.59 . . 33 50 ASN N 85.76 6.36 . . 34 51 SER N 90.02 18.26 . . 35 52 LEU N 103.78 3.89 . . 36 53 VAL N 93.73 3.32 . . 37 54 LEU N 97.92 5.93 . . 38 57 HIS N 73.75 2.64 . . 39 60 ARG N 90.45 4.74 . . 40 61 ASP N 67.63 6.23 . . 41 62 GLU N 53.51 5.68 . . 42 64 CYS N 88.79 5.30 . . 43 65 SER N 114.22 4.05 . . 44 66 GLU N 108.53 7.49 . . 45 67 LEU N 87.33 4.91 . . 46 68 SER N 105.68 5.72 . . 47 69 MET N 100.66 5.02 . . 48 71 ALA N 100.46 5.64 . . 49 72 ASP N 101.46 4.27 . . 50 74 THR N 104.25 6.27 . . 51 75 GLU N 90.49 7.15 . . 52 77 ALA N 99.88 6.05 . . 53 78 GLY N 89.31 5.30 . . 54 79 GLU N 83.74 4.84 . . 55 80 TYR N 89.60 2.85 . . 56 81 SER N 110.47 6.04 . . 57 82 VAL N 88.52 8.18 . . 58 84 TYR N 114.73 3.31 . . 59 85 ASP N 102.38 7.66 . . 60 86 GLY N 103.02 4.16 . . 61 87 PHE N 93.80 5.97 . . 62 88 ASN N 90.25 3.45 . . 63 89 THR N 93.22 6.05 . . 64 90 PHE N 84.51 3.66 . . 65 91 THR N 113.73 5.70 . . 66 92 ILE N 96.38 6.74 . . 67 94 LYS N 89.94 3.90 . . 68 95 THR N 96.22 6.06 . . 69 96 ASP N 85.78 6.59 . . 70 97 TYR N 98.90 8.19 . . 71 98 ASP N 90.40 5.09 . . 72 99 ASN N 45.84 6.23 . . 73 100 PHE N 90.38 7.07 . . 74 103 ALA N 103.27 5.21 . . 75 104 HIS N 115.83 7.82 . . 76 105 LEU N 95.50 5.56 . . 77 107 ASN N 96.98 6.91 . . 78 108 GLU N 104.89 2.88 . . 79 109 LYS N 97.78 6.99 . . 80 111 GLY N 103.48 6.22 . . 81 114 PHE N 109.10 5.14 . . 82 115 GLN N 94.51 5.67 . . 83 116 LEU N 105.32 5.30 . . 84 117 MET N 98.31 5.08 . . 85 118 GLY N 99.59 7.14 . . 86 121 GLY N 94.17 2.31 . . 87 123 GLU N 97.46 7.92 . . 88 125 ASP N 86.11 7.03 . . 89 126 LEU N 97.38 4.62 . . 90 127 SER N 113.53 13.92 . . 91 129 ASP N 84.74 5.84 . . 92 130 ILE N 85.85 6.13 . . 93 131 LYS N 101.05 5.90 . . 94 133 ARG N 90.50 5.31 . . 95 136 GLN N 96.33 5.01 . . 96 137 LEU N 86.03 4.71 . . 97 138 CYS N 119.78 7.52 . . 98 140 LYS N 86.38 4.63 . . 99 142 GLY N 75.00 2.68 . . 100 143 ILE N 83.27 6.44 . . 101 144 LEU N 111.11 5.72 . . 102 145 ARG N 109.22 5.47 . . 103 146 GLU N 118.30 7.23 . . 104 148 ILE N 91.33 3.55 . . 105 150 ASP N 125.13 2.94 . . 106 151 LEU N 101.32 5.45 . . 107 152 SER N 82.28 5.07 . . 108 153 ASN N 78.41 13.04 . . 109 155 ASN N 85.43 7.10 . . 110 160 ALA N 173.84 4.25 . . 111 162 GLU N 292.98 4.74 . . stop_ save_ save_291_500_bound_t2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $291K _Spectrometer_frequency_1H 500 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name MUP-I _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 3 ALA N 79.21 2.14 . . 2 4 SER N 79.79 3.16 . . 3 5 SER N 68.96 3.42 . . 4 6 THR N 74.00 3.93 . . 5 7 GLY N 78.56 2.35 . . 6 11 ASN N 78.98 5.46 . . 7 13 GLU N 65.40 3.54 . . 8 15 ILE N 71.08 3.55 . . 9 16 ASN N 65.50 2.74 . . 10 17 GLY N 71.41 3.18 . . 11 18 GLU N 46.13 2.11 . . 12 19 TRP N 62.50 3.51 . . 13 20 HIS N 63.70 3.18 . . 14 22 ILE N 63.88 4.94 . . 15 23 ILE N 76.66 6.71 . . 16 26 SER N 71.82 2.65 . . 17 27 ASP N 73.75 2.43 . . 18 29 ARG N 74.87 4.87 . . 19 30 GLU N 70.29 2.82 . . 20 31 LYS N 67.49 3.92 . . 21 32 ILE N 68.45 4.70 . . 22 33 GLU N 71.39 3.14 . . 23 36 GLY N 72.42 5.25 . . 24 37 ASN N 74.01 3.57 . . 25 39 ARG N 62.98 1.39 . . 26 40 LEU N 66.67 5.03 . . 27 45 ILE N 68.55 3.68 . . 28 46 HIS N 74.91 3.87 . . 29 47 VAL N 71.74 3.05 . . 30 48 LEU N 75.92 4.65 . . 31 50 ASN N 74.49 4.90 . . 32 51 SER N 78.67 3.80 . . 33 52 LEU N 73.97 3.27 . . 34 54 LEU N 75.28 2.45 . . 35 58 THR N 59.95 0.82 . . 36 60 ARG N 78.76 3.81 . . 37 61 ASP N 74.62 3.20 . . 38 62 GLU N 64.71 0.95 . . 39 64 CYS N 77.46 1.71 . . 40 66 GLU N 73.14 3.19 . . 41 67 LEU N 74.47 1.99 . . 42 68 SER N 71.78 2.92 . . 43 69 MET N 69.28 4.84 . . 44 71 ALA N 78.22 3.95 . . 45 72 ASP N 75.78 2.46 . . 46 74 THR N 84.60 4.55 . . 47 75 GLU N 81.40 4.03 . . 48 77 ALA N 79.46 4.04 . . 49 78 GLY N 91.77 5.12 . . 50 79 GLU N 68.79 3.81 . . 51 80 TYR N 70.82 4.68 . . 52 81 SER N 76.57 3.75 . . 53 82 VAL N 77.78 4.35 . . 54 84 TYR N 74.70 3.91 . . 55 85 ASP N 74.57 4.59 . . 56 86 GLY N 70.76 2.83 . . 57 87 PHE N 70.70 3.75 . . 58 89 THR N 71.69 3.18 . . 59 90 PHE N 64.06 2.41 . . 60 91 THR N 75.68 3.55 . . 61 94 LYS N 70.24 3.53 . . 62 95 THR N 64.45 3.18 . . 63 96 ASP N 63.46 2.24 . . 64 98 ASP N 70.12 2.93 . . 65 100 PHE N 66.42 3.25 . . 66 103 ALA N 68.40 3.85 . . 67 105 LEU N 73.89 4.10 . . 68 107 ASN N 72.01 2.08 . . 69 108 GLU N 72.70 2.08 . . 70 109 LYS N 77.76 4.09 . . 71 110 ASP N 79.93 3.16 . . 72 111 GLY N 78.72 4.06 . . 73 115 GLN N 73.41 4.60 . . 74 117 MET N 68.92 1.37 . . 75 118 GLY N 68.74 3.96 . . 76 121 GLY N 67.96 3.32 . . 77 123 GLU N 69.37 2.43 . . 78 125 ASP N 70.93 2.86 . . 79 126 LEU N 75.77 3.19 . . 80 127 SER N 73.17 2.70 . . 81 128 SER N 75.28 2.50 . . 82 130 ILE N 73.23 4.55 . . 83 131 LYS N 70.03 4.00 . . 84 133 ARG N 69.50 3.93 . . 85 136 GLN N 69.77 4.77 . . 86 137 LEU N 68.86 4.46 . . 87 138 CYS N 68.42 4.02 . . 88 140 LYS N 69.83 2.33 . . 89 141 HIS N 73.12 3.07 . . 90 142 GLY N 74.34 3.40 . . 91 144 LEU N 78.41 2.78 . . 92 145 ARG N 74.95 3.50 . . 93 146 GLU N 72.06 3.15 . . 94 148 ILE N 73.49 2.70 . . 95 150 ASP N 79.73 4.48 . . 96 151 LEU N 70.22 6.26 . . 97 152 SER N 55.64 4.32 . . 98 153 ASN N 63.51 2.67 . . 99 155 ASN N 62.43 17.1 . . 100 160 ALA N 120.6 5.70 . . 101 162 GLU N 258.7 12.8 . . stop_ save_ save_297_500_bound_t2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $297K _Spectrometer_frequency_1H 500 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name MUP-I _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 3 ALA N 89.57 3.45 . . 2 4 SER N 87.09 3.50 . . 3 5 SER N 80.66 3.40 . . 4 6 THR N 79.50 4.04 . . 5 7 GLY N 97.24 2.45 . . 6 10 PHE N 99.71 3.78 . . 7 11 ASN N 90.00 3.57 . . 8 12 VAL N 80.41 3.02 . . 9 13 GLU N 66.51 1.56 . . 10 15 ILE N 82.00 3.18 . . 11 16 ASN N 68.87 2.96 . . 12 17 GLY N 81.16 3.70 . . 13 18 GLU N 110.2 3.88 . . 14 19 TRP N 78.26 4.43 . . 15 20 HIS N 70.65 12.4 . . 16 21 THR N 86.88 5.47 . . 17 22 ILE N 76.72 5.03 . . 18 23 ILE N 78.96 2.78 . . 19 26 SER N 83.27 2.73 . . 20 27 ASP N 81.97 4.48 . . 21 29 ARG N 84.03 2.54 . . 22 30 GLU N 80.29 2.73 . . 23 31 LYS N 75.61 2.41 . . 24 32 ILE N 80.25 3.45 . . 25 33 GLU N 81.05 3.93 . . 26 36 GLY N 82.25 4.74 . . 27 37 ASN N 85.79 2.96 . . 28 42 LEU N 73.54 6.72 . . 29 43 GLU N 68.67 3.14 . . 30 45 ILE N 82.90 3.16 . . 31 46 HIS N 83.30 2.19 . . 32 47 VAL N 84.43 2.83 . . 33 48 LEU N 84.39 3.13 . . 34 50 ASN N 82.58 3.64 . . 35 51 SER N 89.80 4.41 . . 36 52 LEU N 84.01 3.25 . . 37 54 LEU N 81.87 1.89 . . 38 57 HIS N 70.09 4.57 . . 39 58 THR N 68.36 1.94 . . 40 60 ARG N 91.11 3.07 . . 41 62 GLU N 41.63 3.05 . . 42 64 CYS N 90.08 3.11 . . 43 65 SER N 86.93 3.35 . . 44 66 GLU N 85.06 3.30 . . 45 67 LEU N 85.26 3.60 . . 46 68 SER N 83.87 2.89 . . 47 69 MET N 78.31 3.74 . . 48 71 ALA N 85.88 3.92 . . 49 74 THR N 87.71 4.05 . . 50 75 GLU N 92.57 5.10 . . 51 77 ALA N 90.50 3.83 . . 52 78 GLY N 99.70 5.56 . . 53 79 GLU N 79.33 3.45 . . 54 80 TYR N 85.85 2.38 . . 55 81 SER N 85.30 3.11 . . 56 82 VAL N 92.66 8.00 . . 57 84 TYR N 81.56 2.40 . . 58 85 ASP N 84.43 4.16 . . 59 87 PHE N 81.89 2.75 . . 60 89 THR N 81.89 4.22 . . 61 90 PHE N 64.81 3.20 . . 62 91 THR N 83.68 3.02 . . 63 92 ILE N 78.25 3.12 . . 64 94 LYS N 78.19 3.18 . . 65 95 THR N 59.27 5.05 . . 66 97 TYR N 75.32 2.40 . . 67 98 ASP N 77.96 3.99 . . 68 100 PHE N 68.92 2.77 . . 69 103 ALA N 80.34 4.36 . . 70 104 HIS N 89.07 3.97 . . 71 105 LEU N 77.81 4.04 . . 72 107 ASN N 83.32 2.94 . . 73 108 GLU N 82.84 2.43 . . 74 109 LYS N 86.17 2.81 . . 75 110 ASP N 88.74 1.85 . . 76 111 GLY N 90.31 3.63 . . 77 113 THR N 89.53 3.26 . . 78 115 GLN N 82.34 3.68 . . 79 117 MET N 78.65 4.47 . . 80 118 GLY N 76.17 2.99 . . 81 121 GLY N 76.70 4.34 . . 82 123 GLU N 80.29 3.20 . . 83 125 ASP N 81.93 4.42 . . 84 126 LEU N 84.30 2.64 . . 85 127 SER N 86.15 3.71 . . 86 128 SER N 82.45 3.61 . . 87 129 ASP N 79.63 3.30 . . 88 130 ILE N 81.01 4.03 . . 89 131 LYS N 77.27 2.89 . . 90 133 ARG N 79.57 2.49 . . 91 136 GLN N 79.59 2.40 . . 92 137 LEU N 79.13 4.36 . . 93 138 CYS N 76.27 2.24 . . 94 140 LYS N 79.76 3.34 . . 95 141 HIS N 83.75 2.61 . . 96 142 GLY N 83.95 3.99 . . 97 144 LEU N 88.12 4.60 . . 98 145 ARG N 81.71 2.54 . . 99 146 GLU N 80.63 3.11 . . 100 148 ILE N 83.49 4.51 . . 101 150 ASP N 87.69 3.70 . . 102 151 LEU N 77.44 3.97 . . 103 152 SER N 67.52 1.92 . . 104 153 ASN N 57.61 3.65 . . 105 155 ASN N 72.18 5.47 . . 106 160 ALA N 148.3 4.67 . . 107 162 GLU N 291.6 10.3 . . stop_ save_ save_302_500_bound_t2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $302K _Spectrometer_frequency_1H 500 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name MUP-I _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 3 ALA N 99.44 5.07 . . 2 4 SER N 103.4 3.13 . . 3 6 THR N 95.90 2.95 . . 4 10 PHE N 119.5 6.01 . . 5 11 ASN N 103.3 4.82 . . 6 12 VAL N 91.12 3.05 . . 7 13 GLU N 83.27 3.75 . . 8 16 ASN N 82.80 2.35 . . 9 17 GLY N 90.64 3.46 . . 10 18 GLU N 102.1 4.29 . . 11 19 TRP N 86.52 4.61 . . 12 21 THR N 89.45 4.12 . . 13 22 ILE N 84.10 4.56 . . 14 23 ILE N 91.56 3.55 . . 15 26 SER N 93.06 2.47 . . 16 27 ASP N 91.00 3.66 . . 17 29 ARG N 101.5 3.36 . . 18 30 GLU N 93.22 2.81 . . 19 31 LYS N 85.92 2.88 . . 20 32 ILE N 92.52 4.13 . . 21 33 GLU N 92.61 4.73 . . 22 35 ASN N 97.80 3.28 . . 23 36 GLY N 94.23 2.34 . . 24 39 ARG N 88.00 4.82 . . 25 40 LEU N 90.27 3.41 . . 26 42 LEU N 85.23 7.79 . . 27 43 GLU N 79.13 8.43 . . 28 46 HIS N 94.78 3.44 . . 29 47 VAL N 100.0 3.36 . . 30 48 LEU N 96.59 3.38 . . 31 50 ASN N 102.9 7.45 . . 32 51 SER N 108.2 9.13 . . 33 52 LEU N 94.56 4.52 . . 34 54 LEU N 94.91 5.39 . . 35 60 ARG N 103.0 4.37 . . 36 61 ASP N 103.0 3.55 . . 37 62 GLU N 57.55 3.75 . . 38 64 CYS N 101.2 3.67 . . 39 65 SER N 98.01 6.16 . . 40 66 GLU N 97.14 3.83 . . 41 67 LEU N 93.26 4.11 . . 42 68 SER N 96.88 4.29 . . 43 69 MET N 87.71 4.88 . . 44 71 ALA N 94.20 3.15 . . 45 74 THR N 102.3 3.97 . . 46 75 GLU N 105.3 3.21 . . 47 77 ALA N 108.2 4.30 . . 48 79 GLU N 87.27 3.99 . . 49 81 SER N 92.14 3.02 . . 50 82 VAL N 90.60 3.04 . . 51 84 TYR N 95.19 3.10 . . 52 85 ASP N 95.69 4.16 . . 53 86 GLY N 91.28 3.69 . . 54 88 ASN N 93.00 2.49 . . 55 89 THR N 93.81 3.55 . . 56 90 PHE N 80.00 4.41 . . 57 91 THR N 95.54 4.28 . . 58 94 LYS N 88.47 2.60 . . 59 96 ASP N 81.42 4.68 . . 60 97 TYR N 81.88 3.67 . . 61 98 ASP N 88.86 3.93 . . 62 99 ASN N 83.84 2.99 . . 63 100 PHE N 82.19 2.83 . . 64 101 LEU N 83.56 4.62 . . 65 103 ALA N 85.85 2.79 . . 66 104 HIS N 96.29 4.74 . . 67 105 LEU N 88.69 4.78 . . 68 107 ASN N 91.52 4.55 . . 69 108 GLU N 93.81 4.04 . . 70 110 ASP N 102.8 4.87 . . 71 111 GLY N 105.5 4.05 . . 72 113 THR N 99.64 4.33 . . 73 115 GLN N 92.48 3.99 . . 74 116 LEU N 91.06 3.88 . . 75 117 MET N 88.82 3.80 . . 76 121 GLY N 87.99 4.42 . . 77 125 ASP N 95.29 5.47 . . 78 127 SER N 99.46 3.76 . . 79 128 SER N 102.9 6.95 . . 80 129 ASP N 88.38 4.26 . . 81 130 ILE N 89.64 4.74 . . 82 131 LYS N 88.12 2.57 . . 83 133 ARG N 85.25 4.26 . . 84 136 GLN N 87.80 3.55 . . 85 137 LEU N 88.62 3.66 . . 86 138 CYS N 85.64 3.68 . . 87 140 LYS N 88.37 3.91 . . 88 141 HIS N 92.97 3.61 . . 89 142 GLY N 97.66 4.55 . . 90 144 LEU N 100.1 4.72 . . 91 145 ARG N 94.78 3.48 . . 92 146 GLU N 92.58 2.90 . . 93 148 ILE N 94.64 3.38 . . 94 150 ASP N 96.56 3.44 . . 95 151 LEU N 86.08 6.82 . . 96 152 SER N 71.91 2.18 . . 97 153 ASN N 85.80 6.05 . . 98 155 ASN N 84.48 0.93 . . 99 160 ALA N 191.2 6.64 . . 100 162 GLU N 336.3 10.8 . . stop_ save_ save_283_600_bound_noe _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $283K _Spectrometer_frequency_1H 600 _Mol_system_component_name MUP-I _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 3 ALA 0.67 0.01 4 SER 0.73 0.01 5 SER 0.80 0.03 6 THR 0.78 0.01 7 GLY 0.71 0.01 10 PHE 0.49 0.01 11 ASN 0.79 0.03 12 VAL 0.79 0.01 13 GLU 0.76 0.01 15 ILE 0.78 0.01 16 ASN 0.83 0.01 17 GLY 0.85 0.01 18 GLU 0.13 0.05 22 ILE 0.82 0.02 23 ILE 0.83 0.01 26 SER 0.81 0.01 27 ASP 0.66 0.01 29 ARG 0.80 0.01 30 GLU 0.78 0.01 31 LYS 0.84 0.01 32 ILE 0.85 0.01 33 GLU 0.82 0.02 36 GLY 0.82 0.02 37 ASN 0.77 0.01 38 PHE 0.84 0.02 46 HIS 0.80 0.02 48 LEU 0.81 0.01 50 ASN 0.67 0.01 51 SER 0.71 0.01 52 LEU 0.78 0.01 54 LEU 0.81 0.01 55 LYS 0.76 0.01 61 ASP 0.69 0.01 66 GLU 0.79 0.01 67 LEU 0.76 0.01 68 SER 0.75 0.01 70 VAL 0.80 0.01 71 ALA 0.79 0.01 72 ASP 0.82 0.01 74 THR 0.70 0.01 75 GLU 0.67 0.01 76 LYS 0.79 0.01 78 GLY 0.64 0.01 79 GLU 0.82 0.01 80 TYR 0.80 0.01 81 SER 0.84 0.01 82 VAL 0.81 0.01 84 TYR 0.81 0.01 85 ASP 0.82 0.01 86 GLY 0.81 0.01 89 THR 0.82 0.01 90 PHE 0.82 0.01 91 THR 0.80 0.01 92 ILE 0.77 0.01 94 LYS 0.83 0.01 96 ASP 0.83 0.01 98 ASP 0.86 0.02 100 PHE 0.81 0.01 101 LEU 0.85 0.01 103 ALA 0.78 0.04 104 HIS 0.73 0.01 105 LEU 0.85 0.01 107 ASN 0.83 0.02 108 GLU 0.81 0.01 109 LYS 0.79 0.01 110 ASP 0.74 0.01 111 GLY 0.70 0.01 113 THR 0.73 0.01 114 PHE 0.74 0.01 115 GLN 0.81 0.01 116 LEU 0.83 0.01 117 MET 0.85 0.02 118 GLY 0.82 0.01 119 LEU 0.82 0.02 121 GLY 0.82 0.02 123 GLU 0.77 0.01 125 ASP 0.80 0.01 126 LEU 0.75 0.01 127 SER 0.79 0.01 129 ASP 0.79 0.01 130 ILE 0.82 0.01 131 LYS 0.83 0.01 133 ARG 0.83 0.01 135 ALA 0.84 0.01 136 GLN 0.81 0.01 137 LEU 0.84 0.01 138 CYS 0.81 0.01 140 LYS 0.81 0.01 141 HIS 0.77 0.01 142 GLY 0.78 0.01 144 LEU 0.66 0.01 145 ARG 0.27 0.01 150 ASP 0.80 0.01 151 LEU 0.79 0.04 152 SER 0.80 0.01 162 GLU -0.31 0.01 stop_ save_ save_288_600_bound_noe _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $288K _Spectrometer_frequency_1H 600 _Mol_system_component_name MUP-I _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 3 ALA 0.69 0.02 4 SER 0.75 0.02 5 SER 0.83 0.02 6 THR 0.78 0.02 7 GLY 0.70 0.02 10 PHE 0.52 0.02 12 VAL 0.81 0.02 13 GLU 0.78 0.02 15 ILE 0.77 0.02 16 ASN 0.82 0.02 17 GLY 0.80 0.02 18 GLU 0.79 0.02 19 TRP 0.82 0.02 20 HIS 0.79 0.02 21 THR 0.86 0.04 22 ILE 0.82 0.02 23 ILE 0.79 0.02 26 SER 0.83 0.02 27 ASP 0.80 0.02 29 ARG 0.82 0.02 30 GLU 0.78 0.02 31 LYS 0.81 0.02 32 ILE 0.83 0.02 33 GLU 0.82 0.02 35 ASN 0.80 0.01 36 GLY 0.84 0.02 37 ASN 0.78 0.01 38 PHE 0.82 0.02 39 ARG 0.82 0.02 40 LEU 0.82 0.02 42 LEU 0.86 0.04 45 ILE 0.77 0.02 46 HIS 0.81 0.02 48 LEU 0.80 0.02 50 ASN 0.68 0.02 51 SER 0.72 0.02 52 LEU 0.79 0.02 53 VAL 0.78 0.01 54 LEU 0.83 0.02 55 LYS 0.75 0.02 57 HIS 0.82 0.02 60 ARG 0.68 0.02 61 ASP 0.70 0.02 62 GLU 0.67 0.01 64 CYS 0.68 0.01 66 GLU 0.70 0.02 67 LEU 0.79 0.01 68 SER 0.75 0.02 69 MET 0.79 0.01 71 ALA 0.78 0.01 72 ASP 0.78 0.02 74 THR 0.70 0.02 75 GLU 0.67 0.02 77 ALA 0.70 0.01 78 GLY 0.66 0.02 79 GLU 0.80 0.02 80 TYR 0.79 0.02 81 SER 0.82 0.02 82 VAL 0.82 0.02 84 TYR 0.82 0.01 85 ASP 0.81 0.02 86 GLY 0.82 0.01 87 PHE 0.82 0.02 88 ASN 0.80 0.01 89 THR 0.82 0.02 90 PHE 0.82 0.02 91 THR 0.80 0.02 92 ILE 0.81 0.02 94 LYS 0.83 0.02 95 THR 0.81 0.02 96 ASP 0.83 0.02 97 TYR 0.79 0.02 98 ASP 0.83 0.01 100 PHE 0.83 0.02 101 LEU 0.90 0.02 102 MET 0.81 0.01 103 ALA 0.82 0.02 104 HIS 0.74 0.02 105 LEU 0.85 0.02 107 ASN 0.84 0.02 108 GLU 0.81 0.02 109 LYS 0.76 0.02 110 ASP 0.75 0.02 111 GLY 0.72 0.02 113 THR 0.76 0.02 114 PHE 0.75 0.01 115 GLN 0.82 0.02 116 LEU 0.79 0.02 117 MET 0.83 0.02 118 GLY 0.78 0.02 121 GLY 0.80 0.02 123 GLU 0.76 0.01 125 ASP 0.79 0.02 126 LEU 0.23 0.02 127 SER 0.79 0.02 128 SER 0.79 0.02 130 ILE 0.81 0.02 131 LYS 0.83 0.01 134 PHE 0.80 0.01 135 ALA 0.82 0.02 136 GLN 0.81 0.02 137 LEU 0.81 0.02 138 CYS 0.82 0.02 140 LYS 0.81 0.01 141 HIS 0.78 0.02 142 GLY 0.76 0.01 145 ARG 0.72 0.02 146 GLU 0.78 0.02 148 ILE 0.79 0.02 151 LEU 0.80 0.02 152 SER 0.81 0.02 153 ASN 0.75 0.02 160 ALA 0.18 0.02 stop_ save_ save_293_600_bound_noe _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $293K _Spectrometer_frequency_1H 600 _Mol_system_component_name MUP-I _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 3 ALA 0.68 0.02 5 SER 0.81 0.02 6 THR 0.80 0.02 7 GLY 0.63 0.02 10 PHE 0.54 0.02 11 ASN 0.80 0.02 12 VAL 0.81 0.02 13 GLU 0.78 0.02 15 ILE 0.78 0.02 16 ASN 0.83 0.02 18 GLU 0.79 0.02 19 TRP 0.83 0.02 20 HIS 0.82 0.02 22 ILE 0.79 0.02 23 ILE 0.82 0.04 26 SER 0.81 0.02 27 ASP 0.77 0.02 29 ARG 0.80 0.02 30 GLU 0.78 0.02 31 LYS 0.81 0.02 32 ILE 0.84 0.02 33 GLU 0.81 0.02 36 GLY 0.82 0.02 37 ASN 0.80 0.02 39 ARG 0.80 0.01 40 LEU 0.83 0.02 43 GLU 0.81 0.01 45 ILE 0.81 0.02 46 HIS 0.80 0.02 47 VAL 0.76 0.02 48 LEU 0.80 0.04 50 ASN 0.67 0.02 51 SER 0.73 0.02 52 LEU 0.80 0.02 53 VAL 0.80 0.02 54 LEU 0.80 0.02 55 LYS 0.74 0.02 57 HIS 0.81 0.01 60 ARG 0.69 0.02 61 ASP 0.72 0.02 62 GLU 0.68 0.02 64 CYS 0.70 0.02 66 GLU 0.70 0.02 67 LEU 0.76 0.01 68 SER 0.76 0.01 69 MET 0.79 0.02 71 ALA 0.79 0.01 72 ASP 0.78 0.02 74 THR 0.73 0.01 75 GLU 0.67 0.01 76 LYS 0.81 0.02 77 ALA 0.70 0.02 78 GLY 0.68 0.02 79 GLU 0.80 0.01 80 TYR 0.81 0.02 81 SER 0.80 0.02 82 VAL 0.82 0.02 83 THR 0.79 0.02 84 TYR 0.80 0.02 86 GLY 0.82 0.01 87 PHE 0.80 0.02 88 ASN 0.82 0.01 89 THR 0.81 0.02 90 PHE 0.81 0.01 91 THR 0.78 0.02 92 ILE 0.79 0.02 94 LYS 0.81 0.02 95 THR 0.81 0.02 96 ASP 0.82 0.02 97 TYR 0.79 0.02 98 ASP 0.83 0.02 101 LEU 0.83 0.02 102 MET 0.84 0.01 103 ALA 0.82 0.02 104 HIS 0.74 0.02 105 LEU 0.85 0.01 108 GLU 0.80 0.02 109 LYS 0.76 0.02 110 ASP 0.77 0.02 111 GLY 0.72 0.02 115 GLN 0.81 0.02 116 LEU 0.78 0.02 117 MET 0.80 0.02 118 GLY 0.81 0.02 119 LEU 0.81 0.02 120 TYR 0.84 0.01 121 GLY 0.82 0.02 123 GLU 0.78 0.02 125 ASP 0.79 0.02 128 SER 0.82 0.02 129 ASP 0.83 0.02 130 ILE 0.79 0.01 131 LYS 0.82 0.02 134 PHE 0.78 0.02 135 ALA 0.80 0.02 136 GLN 0.82 0.02 137 LEU 0.82 0.02 138 CYS 0.82 0.01 141 HIS 0.78 0.01 142 GLY 0.76 0.02 143 ILE 0.81 0.02 144 LEU 0.67 0.02 145 ARG 0.70 0.02 148 ILE 0.78 0.01 151 LEU 0.78 0.02 156 ARG 0.72 0.01 160 ALA 0.09 0.02 162 GLU -0.49 0.02 stop_ save_ save_298_600_bound_noe _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $298K _Spectrometer_frequency_1H 600 _Mol_system_component_name MUP-I _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 3 ALA 0.66 0.01 4 SER 0.74 0.01 5 SER 0.79 0.01 6 THR 0.80 0.01 7 GLY 0.60 0.01 10 PHE 0.56 0.01 11 ASN 0.79 0.01 12 VAL 0.80 0.01 13 GLU 0.78 0.01 15 ILE 0.81 0.01 16 ASN 0.81 0.01 17 GLY 0.82 0.01 18 GLU 0.72 0.01 19 TRP 0.80 0.01 20 HIS 0.78 0.01 21 THR 0.79 0.01 22 ILE 0.82 0.01 23 ILE 0.81 0.01 26 SER 0.80 0.01 27 ASP 0.80 0.01 29 ARG 0.78 0.01 30 GLU 0.79 0.01 31 LYS 0.81 0.01 32 ILE 0.81 0.01 33 GLU 0.80 0.01 35 ASN 0.68 0.01 36 GLY 0.79 0.01 37 ASN 0.80 0.01 39 ARG 0.83 0.01 40 LEU 0.78 0.01 42 LEU 0.75 0.01 43 GLU 0.77 0.01 45 ILE 0.80 0.01 46 HIS 0.80 0.01 47 VAL 0.79 0.01 48 LEU 0.79 0.01 50 ASN 0.69 0.01 51 SER 0.72 0.01 52 LEU 0.78 0.01 53 VAL 0.78 0.01 54 LEU 0.82 0.01 55 LYS 0.72 0.01 57 HIS 0.80 0.01 58 THR 0.83 0.01 60 ARG 0.70 0.01 61 ASP 0.70 0.01 62 GLU 0.70 0.01 64 CYS 0.68 0.01 65 SER 0.72 0.01 66 GLU 0.71 0.01 67 LEU 0.76 0.01 68 SER 0.73 0.01 69 MET 0.79 0.01 71 ALA 0.81 0.01 72 ASP 0.78 0.01 74 THR 0.73 0.01 75 GLU 0.66 0.01 76 LYS 0.77 0.01 77 ALA 0.67 0.01 78 GLY 0.70 0.01 79 GLU 0.78 0.01 80 TYR 0.81 0.01 81 SER 0.80 0.01 82 VAL 0.79 0.01 83 THR 0.77 0.01 84 TYR 0.81 0.01 85 ASP 0.79 0.01 86 GLY 0.81 0.04 87 PHE 0.82 0.01 88 ASN 0.79 0.01 89 THR 0.81 0.01 90 PHE 0.79 0.01 91 THR 0.82 0.01 92 ILE 0.81 0.01 94 LYS 0.81 0.01 95 THR 0.80 0.01 96 ASP 0.82 0.01 97 TYR 0.83 0.01 99 ASN 0.82 0.01 100 PHE 0.82 0.01 101 LEU 0.81 0.04 103 ALA 0.83 0.01 104 HIS 0.72 0.01 105 LEU 0.83 0.01 107 ASN 0.81 0.01 108 GLU 0.82 0.01 109 LYS 0.77 0.01 110 ASP 0.75 0.01 111 GLY 0.71 0.01 113 THR 0.74 0.01 114 PHE 0.79 0.01 115 GLN 0.81 0.01 116 LEU 0.81 0.02 117 MET 0.83 0.01 118 GLY 0.80 0.01 119 LEU 0.82 0.01 121 GLY 0.81 0.01 123 GLU 0.79 0.01 125 ASP 0.78 0.01 126 LEU 0.79 0.01 127 SER 0.77 0.01 128 SER 0.80 0.01 130 ILE 0.78 0.01 131 LYS 0.80 0.01 133 ARG 0.82 0.01 134 PHE 0.78 0.01 135 ALA 0.81 0.01 136 GLN 0.80 0.01 137 LEU 0.79 0.01 138 CYS 0.81 0.02 141 HIS 0.78 0.01 142 GLY 0.79 0.03 143 ILE 0.77 0.01 144 LEU 0.67 0.01 145 ARG 0.72 0.01 146 GLU 0.77 0.01 148 ILE 0.81 0.01 149 ILE 0.79 0.01 150 ASP 0.79 0.01 151 LEU 0.79 0.01 152 SER 0.81 0.01 153 ASN 0.78 0.01 160 ALA 0.08 0.01 162 GLU -0.52 0.01 stop_ save_ save_303_600_bound_noe _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $303K _Spectrometer_frequency_1H 600 _Mol_system_component_name MUP-I _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 3 ALA 0.63 0.01 4 SER 0.71 0.01 5 SER 0.79 0.01 6 THR 0.80 0.01 7 GLY 0.68 0.01 10 PHE 0.57 0.01 11 ASN 0.84 0.01 12 VAL 0.75 0.01 13 GLU 0.79 0.01 15 ILE 0.80 0.01 16 ASN 0.81 0.01 17 GLY 0.82 0.01 18 GLU 0.77 0.01 20 HIS 0.85 0.01 21 THR 0.82 0.01 22 ILE 0.81 0.01 23 ILE 0.79 0.01 27 ASP 0.77 0.01 29 ARG 0.76 0.01 31 LYS 0.81 0.01 32 ILE 0.81 0.01 33 GLU 0.80 0.01 35 ASN 0.68 0.01 36 GLY 0.80 0.01 37 ASN 0.79 0.01 39 ARG 0.83 0.01 40 LEU 0.77 0.01 42 LEU 0.72 0.01 43 GLU 0.73 0.01 45 ILE 0.77 0.01 46 HIS 0.80 0.01 47 VAL 0.78 0.01 48 LEU 0.76 0.01 50 ASN 0.69 0.01 51 SER 0.71 0.01 52 LEU 0.78 0.01 53 VAL 0.79 0.01 54 LEU 0.79 0.01 55 LYS 0.77 0.01 57 HIS 0.77 0.01 58 THR 0.72 0.01 60 ARG 0.67 0.01 61 ASP 0.71 0.01 62 GLU 0.71 0.01 64 CYS 0.67 0.01 65 SER 0.68 0.01 66 GLU 0.73 0.01 67 LEU 0.72 0.01 68 SER 0.72 0.01 69 MET 0.77 0.01 71 ALA 0.80 0.01 72 ASP 0.73 0.01 74 THR 0.72 0.01 75 GLU 0.70 0.01 76 LYS 0.74 0.01 77 ALA 0.68 0.01 78 GLY 0.70 0.01 79 GLU 0.76 0.01 81 SER 0.80 0.01 82 VAL 0.78 0.01 83 THR 0.77 0.01 84 TYR 0.81 0.01 85 ASP 0.78 0.01 86 GLY 0.78 0.01 87 PHE 0.79 0.01 89 THR 0.81 0.01 90 PHE 0.79 0.01 91 THR 0.79 0.01 92 ILE 0.81 0.01 94 LYS 0.80 0.01 95 THR 0.80 0.01 96 ASP 0.77 0.01 97 TYR 0.78 0.01 98 ASP 0.82 0.01 99 ASN 0.80 0.01 100 PHE 0.81 0.01 102 MET 0.81 0.01 103 ALA 0.79 0.01 104 HIS 0.72 0.01 105 LEU 0.82 0.01 107 ASN 0.81 0.01 108 GLU 0.77 0.01 109 LYS 0.80 0.01 110 ASP 0.72 0.01 111 GLY 0.71 0.01 113 THR 0.76 0.01 114 PHE 0.78 0.01 115 GLN 0.80 0.01 116 LEU 0.80 0.01 117 MET 0.79 0.01 121 GLY 0.79 0.01 123 GLU 0.76 0.01 125 ASP 0.76 0.01 126 LEU 0.78 0.01 127 SER 0.78 0.01 128 SER 0.76 0.01 129 ASP 0.79 0.01 131 LYS 0.79 0.01 133 ARG 0.81 0.01 134 PHE 0.76 0.01 135 ALA 0.79 0.01 136 GLN 0.81 0.01 138 CYS 0.78 0.01 141 HIS 0.78 0.01 142 GLY 0.77 0.01 143 ILE 0.77 0.01 144 LEU 0.70 0.01 145 ARG 0.73 0.01 146 GLU 0.77 0.01 148 ILE 0.79 0.01 149 ILE 0.78 0.01 150 ASP 0.79 0.01 151 LEU 0.80 0.01 152 SER 0.79 0.01 153 ASN 0.75 0.01 155 ASN 0.74 0.01 156 ARG 0.64 0.03 160 ALA 0.02 0.01 162 GLU -0.57 0.01 stop_ save_ save_308_600_bound_noe _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $308K _Spectrometer_frequency_1H 600 _Mol_system_component_name MUP-I _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 3 ALA 0.66 0.01 4 SER 0.72 0.01 6 THR 0.82 0.01 10 PHE 0.58 0.01 11 ASN 0.81 0.01 12 VAL 0.79 0.01 13 GLU 0.78 0.02 16 ASN 0.83 0.01 17 GLY 0.82 0.01 18 GLU 0.81 0.02 19 TRP 0.81 0.01 21 THR 0.79 0.02 22 ILE 0.83 0.02 23 ILE 0.81 0.01 26 SER 0.81 0.00 27 ASP 0.81 0.01 29 ARG 0.77 0.01 30 GLU 0.82 0.01 31 LYS 0.80 0.01 32 ILE 0.83 0.01 33 GLU 0.80 0.00 35 ASN 0.71 0.01 36 GLY 0.83 0.01 38 PHE 0.80 0.01 39 ARG 0.81 0.01 40 LEU 0.81 0.01 42 LEU 0.78 0.04 43 GLU 0.84 0.01 45 ILE 0.81 0.01 46 HIS 0.81 0.01 47 VAL 0.78 0.01 48 LEU 0.79 0.01 50 ASN 0.70 0.01 51 SER 0.70 0.01 52 LEU 0.77 0.01 53 VAL 0.80 0.01 54 LEU 0.82 0.01 57 HIS 0.81 0.01 60 ARG 0.71 0.01 61 ASP 0.70 0.01 62 GLU 0.71 0.02 64 CYS 0.68 0.01 65 SER 0.71 0.01 66 GLU 0.75 0.01 67 LEU 0.75 0.01 68 SER 0.74 0.01 69 MET 0.79 0.01 71 ALA 0.78 0.01 72 ASP 0.77 0.01 74 THR 0.70 0.01 75 GLU 0.70 0.01 77 ALA 0.71 0.02 78 GLY 0.70 0.04 79 GLU 0.77 0.01 80 TYR 0.81 0.01 81 SER 0.80 0.01 82 VAL 0.80 0.01 84 TYR 0.81 0.01 85 ASP 0.80 0.01 86 GLY 0.81 0.01 87 PHE 0.81 0.01 88 ASN 0.79 0.01 89 THR 0.82 0.01 90 PHE 0.81 0.01 91 THR 0.78 0.01 92 ILE 0.80 0.01 94 LYS 0.80 0.01 95 THR 0.81 0.01 96 ASP 0.82 0.01 97 TYR 0.83 0.01 98 ASP 0.83 0.01 99 ASN 0.78 0.01 100 PHE 0.82 0.01 103 ALA 0.80 0.01 104 HIS 0.73 0.01 105 LEU 0.81 0.01 107 ASN 0.81 0.01 108 GLU 0.79 0.01 109 LYS 0.80 0.01 111 GLY 0.72 0.01 114 PHE 0.81 0.01 115 GLN 0.79 0.01 116 LEU 0.80 0.01 117 MET 0.80 0.01 118 GLY 0.80 0.03 121 GLY 0.81 0.01 123 GLU 0.78 0.01 125 ASP 0.77 0.01 126 LEU 0.76 0.01 127 SER 0.78 0.01 129 ASP 0.81 0.01 130 ILE 0.80 0.01 131 LYS 0.82 0.01 133 ARG 0.82 0.01 136 GLN 0.83 0.01 137 LEU 0.81 0.01 138 CYS 0.83 0.01 140 LYS 0.82 0.01 142 GLY 0.78 0.01 143 ILE 0.74 0.02 144 LEU 0.72 0.01 145 ARG 0.74 0.01 146 GLU 0.78 0.01 148 ILE 0.80 0.01 150 ASP 0.81 0.01 151 LEU 0.81 0.01 152 SER 0.82 0.01 153 ASN 0.80 0.01 155 ASN 0.76 0.01 160 ALA 0.04 0.01 162 GLU -0.59 0.01 stop_ save_ save_291_500_bound_noe _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $291K _Spectrometer_frequency_1H 500 _Mol_system_component_name MUP-I _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 3 ALA 0.61 0.03 4 SER 0.69 0.03 5 SER 0.74 0.03 6 THR 0.68 0.04 7 GLY 0.62 0.04 11 ASN 0.73 0.04 13 GLU 0.77 0.05 15 ILE 0.75 0.05 16 ASN 0.74 0.03 17 GLY 0.75 0.03 18 GLU 0.73 0.03 19 TRP 0.73 0.05 20 HIS 0.70 0.04 22 ILE 0.74 0.03 23 ILE 0.76 0.04 26 SER 0.76 0.02 27 ASP 0.73 0.04 29 ARG 0.73 0.03 30 GLU 0.74 0.03 31 LYS 0.61 0.04 32 ILE 0.73 0.04 33 GLU 0.78 0.03 36 GLY 0.72 0.04 37 ASN 0.74 0.03 39 ARG 0.82 0.10 40 LEU 0.77 0.03 45 ILE 0.69 0.03 46 HIS 0.72 0.04 47 VAL 0.73 0.04 48 LEU 0.75 0.04 50 ASN 0.64 0.01 51 SER 0.64 0.03 52 LEU 0.78 0.04 54 LEU 0.80 0.06 58 THR 0.79 0.06 60 ARG 0.66 0.00 61 ASP 0.69 0.05 62 GLU 0.62 0.03 64 CYS 0.63 0.03 66 GLU 0.63 0.04 67 LEU 0.75 0.03 68 SER 0.69 0.03 69 MET 0.73 0.05 71 ALA 0.77 0.04 72 ASP 0.72 0.03 74 THR 0.72 0.06 75 GLU 0.62 0.03 77 ALA 0.65 0.04 78 GLY 0.60 0.03 79 GLU 0.71 0.04 80 TYR 0.75 0.03 81 SER 0.76 0.03 82 VAL 0.75 0.04 84 TYR 0.76 0.04 85 ASP 0.73 0.04 86 GLY 0.73 0.03 87 PHE 0.74 0.02 89 THR 0.79 0.03 90 PHE 0.78 0.07 91 THR 0.71 0.03 94 LYS 0.70 0.03 95 THR 0.69 0.04 96 ASP 0.78 0.04 98 ASP 0.78 0.02 100 PHE 0.76 0.04 103 ALA 0.74 0.03 105 LEU 0.86 0.04 107 ASN 0.79 0.05 108 GLU 0.78 0.03 109 LYS 0.72 0.03 110 ASP 0.67 0.04 111 GLY 0.68 0.03 115 GLN 0.76 0.04 117 MET 0.77 0.05 118 GLY 0.76 0.05 121 GLY 0.78 0.03 123 GLU 0.68 0.05 125 ASP 0.71 0.03 126 LEU 0.22 0.04 127 SER 0.74 0.04 128 SER 0.72 0.05 130 ILE 0.74 0.04 131 LYS 0.75 0.05 133 ARG 0.77 0.05 136 GLN 0.78 0.04 137 LEU 0.74 0.03 138 CYS 0.77 0.04 140 LYS 0.78 0.04 141 HIS 0.69 0.04 142 GLY 0.72 0.03 144 LEU 0.67 0.05 145 ARG 0.66 0.05 146 GLU 0.71 0.03 148 ILE 0.73 0.03 150 ASP 0.74 0.04 151 LEU 0.74 0.04 152 SER 0.78 0.03 153 ASN 0.70 0.03 155 ASN 0.53 0.03 160 ALA -0.07 0.04 162 GLU -0.54 0.03 stop_ save_ save_297_500_bound_noe _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $297K _Spectrometer_frequency_1H 500 _Mol_system_component_name MUP-I _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 3 ALA 0.63 0.02 4 SER 0.68 0.01 5 SER 0.76 0.02 6 THR 0.72 0.01 7 GLY 0.62 0.01 10 PHE 0.51 0.00 11 ASN 0.73 0.01 12 VAL 0.74 0.02 13 GLU 0.71 0.01 15 ILE 0.76 0.03 16 ASN 0.78 0.01 17 GLY 0.76 0.02 18 GLU 0.61 0.01 19 TRP 0.74 0.03 20 HIS 0.72 0.02 21 THR 0.75 0.01 22 ILE 0.70 0.00 23 ILE 0.74 0.01 26 SER 0.75 0.00 27 ASP 0.73 0.01 29 ARG 0.75 0.02 30 GLU 0.71 0.02 31 LYS 0.69 0.00 32 ILE 0.79 0.00 33 GLU 0.75 0.01 36 GLY 0.73 0.02 37 ASN 0.72 0.01 42 LEU 0.73 0.07 43 GLU 0.74 0.02 45 ILE 0.75 0.01 46 HIS 0.73 0.02 47 VAL 0.72 0.01 48 LEU 0.72 0.03 50 ASN 0.64 0.01 51 SER 0.67 0.01 52 LEU 0.72 0.02 54 LEU 0.75 0.04 57 HIS 0.77 0.02 58 THR 0.74 0.04 60 ARG 0.65 0.00 62 GLU 0.66 0.03 64 CYS 0.61 0.02 65 SER 0.73 0.02 66 GLU 0.66 0.00 67 LEU 0.72 0.02 68 SER 0.70 0.00 69 MET 0.73 0.03 71 ALA 0.74 0.01 74 THR 0.66 0.04 75 GLU 0.65 0.01 77 ALA 0.66 0.00 78 GLY 0.64 0.02 79 GLU 0.78 0.01 80 TYR 0.72 0.02 81 SER 0.76 0.02 82 VAL 0.72 0.00 84 TYR 0.73 0.00 85 ASP 0.73 0.02 87 PHE 0.77 0.01 89 THR 0.77 0.00 90 PHE 0.73 0.04 91 THR 0.71 0.02 92 ILE 0.73 0.02 94 LYS 0.76 0.02 95 THR 0.74 0.02 97 TYR 0.74 0.03 98 ASP 0.77 0.01 100 PHE 0.76 0.01 103 ALA 0.77 0.01 104 HIS 0.68 0.01 105 LEU 0.78 0.01 107 ASN 0.78 0.01 108 GLU 0.75 0.02 109 LYS 0.72 0.00 110 ASP 0.70 0.03 111 GLY 0.68 0.01 113 THR 0.67 0.00 115 GLN 0.69 0.00 117 MET 0.79 0.03 118 GLY 0.84 0.03 121 GLY 0.79 0.02 123 GLU 0.72 0.01 125 ASP 0.73 0.02 126 LEU 0.75 0.01 127 SER 0.72 0.01 128 SER 0.78 0.01 129 ASP 0.74 0.03 130 ILE 0.76 0.03 131 LYS 0.80 0.00 133 ARG 0.77 0.01 136 GLN 0.76 0.01 137 LEU 0.75 0.02 138 CYS 0.75 0.00 140 LYS 0.78 0.01 141 HIS 0.71 0.00 142 GLY 0.73 0.01 144 LEU 0.67 0.03 145 ARG 0.66 0.01 146 GLU 0.73 0.00 148 ILE 0.73 0.00 150 ASP 0.73 0.01 151 LEU 0.69 0.02 152 SER 0.67 0.02 153 ASN 0.66 0.01 155 ASN 0.55 0.02 160 ALA -0.13 0.01 162 GLU -0.60 0.01 stop_ save_ save_302_500_bound_noe _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $302K _Spectrometer_frequency_1H 500 _Mol_system_component_name MUP-I _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 3 ALA 0.61 0.01 4 SER 0.65 0.01 6 THR 0.78 0.11 10 PHE 0.55 0.02 11 ASN 0.74 0.03 12 VAL 0.70 0.01 13 GLU 0.76 0.01 16 ASN 0.77 0.05 17 GLY 0.76 0.03 18 GLU 0.72 0.01 19 TRP 0.66 0.11 21 THR 0.69 0.18 22 ILE 0.77 0.05 23 ILE 0.73 0.02 26 SER 0.73 0.02 27 ASP 0.75 0.02 29 ARG 0.71 0.01 30 GLU 0.71 0.03 31 LYS 0.59 0.02 32 ILE 0.76 0.06 33 GLU 0.71 0.02 35 ASN 0.67 0.03 36 GLY 0.73 0.03 39 ARG 0.81 0.11 40 LEU 0.70 0.04 42 LEU 0.73 0.10 43 GLU 0.73 0.01 46 HIS 0.75 0.01 47 VAL 0.78 0.01 48 LEU 0.72 0.02 50 ASN 0.70 0.03 51 SER 0.60 0.01 52 LEU 0.77 0.01 54 LEU 0.76 0.02 60 ARG 0.64 0.01 61 ASP 0.67 0.03 62 GLU 0.62 0.01 64 CYS 0.61 0.01 65 SER 0.67 0.02 66 GLU 0.67 0.02 67 LEU 0.68 0.01 68 SER 0.72 0.01 69 MET 0.76 0.01 71 ALA 0.75 0.02 74 THR 0.64 0.05 75 GLU 0.65 0.01 77 ALA 0.67 0.02 79 GLU 0.77 0.07 81 SER 0.73 0.01 82 VAL 0.70 0.01 84 TYR 0.81 0.09 85 ASP 0.76 0.02 86 GLY 0.73 0.03 88 ASN 0.74 0.01 89 THR 0.76 0.01 90 PHE 0.72 0.01 91 THR 0.75 0.04 94 LYS 0.73 0.04 96 ASP 0.77 0.01 97 TYR 0.75 0.03 98 ASP 0.77 0.02 99 ASN 0.70 0.03 100 PHE 0.73 0.03 101 LEU 0.77 0.01 103 ALA 0.75 0.04 104 HIS 0.72 0.01 105 LEU 0.74 0.02 107 ASN 0.76 0.02 108 GLU 0.75 0.03 110 ASP 0.75 0.03 111 GLY 0.67 0.01 113 THR 0.70 0.02 115 GLN 0.77 0.04 116 LEU 0.73 0.03 117 MET 0.75 0.01 121 GLY 0.77 0.01 125 ASP 0.68 0.03 127 SER 0.70 0.02 128 SER 0.72 0.03 129 ASP 0.71 0.02 130 ILE 0.73 0.04 131 LYS 0.82 0.01 133 ARG 0.78 0.03 136 GLN 0.73 0.02 137 LEU 0.77 0.02 138 CYS 0.86 0.01 140 LYS 0.75 0.06 141 HIS 0.73 0.01 142 GLY 0.72 0.02 144 LEU 0.70 0.01 145 ARG 0.66 0.01 146 GLU 0.72 0.01 148 ILE 0.75 0.02 150 ASP 0.72 0.03 151 LEU 0.75 0.01 152 SER 0.75 0.03 153 ASN 0.71 0.02 155 ASN 0.62 0.02 160 ALA -0.18 0.01 162 GLU -0.73 0.01 stop_ save_