data_15795 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the c-terminal domain of a multiprotein bridging factor 1 (MBF1) of Trichoderma reesei ; _BMRB_accession_number 15795 _BMRB_flat_file_name bmr15795.str _Entry_type original _Submission_date 2008-06-04 _Accession_date 2008-06-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR structure of the c-terminal domain of a multiprotein bridging factor 1 (MBF1) of Trichoderma reesei' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Kopke Salinas' Roberto . . 2 Camilo Cesar M. . 3 Tomaselli Simona . . 4 Valencia Estela Y. . 5 Farah Chuck S. . 6 El-Dorry Hamza . . 7 Felipe Chambergo S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 H_exchange_protection_factors 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 504 "13C chemical shifts" 424 "15N chemical shifts" 107 "T1 relaxation values" 71 "T2 relaxation values" 71 "H exchange protection factors" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-04 update BMRB 'complete entry citation' 2008-10-22 update BMRB 'chemical shift tag insertion' 2008-07-24 original author 'Original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the C-terminal domain of multiprotein bridging factor 1 (MBF1) of Trichoderma reesei' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19137618 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Salinas Roberto K. . 2 Camilo Cesar M. . 3 Tomaselli Simona . . 4 Valencia Estela Y. . 5 Farah Chuck S. . 6 El-Dorry Hamza . . 7 Chambergo Felipe S. . stop_ _Journal_abbreviation Proteins _Journal_volume 75 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 518 _Page_last 523 _Year 2009 _Details . loop_ _Keyword 'backbone dynamics' MBF1 'Protein structure' 'transcription co-activators' 'Trichoderma reesei' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MBF1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MBF1 $MBF1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MBF1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MBF1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Transcription co-activator' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; GAMDPEFAGGTEGQRLTKVD RSDDIIKPKTVGKEVGKAIE QGRQKFEPTMTQAELGKEIG ETAATVASYERGTATPDQNI LSKMERVLNVKLRGANIGAP RLGPKKK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ASP 5 PRO 6 GLU 7 PHE 8 ALA 9 GLY 10 GLY 11 THR 12 GLU 13 GLY 14 GLN 15 ARG 16 LEU 17 THR 18 LYS 19 VAL 20 ASP 21 ARG 22 SER 23 ASP 24 ASP 25 ILE 26 ILE 27 LYS 28 PRO 29 LYS 30 THR 31 VAL 32 GLY 33 LYS 34 GLU 35 VAL 36 GLY 37 LYS 38 ALA 39 ILE 40 GLU 41 GLN 42 GLY 43 ARG 44 GLN 45 LYS 46 PHE 47 GLU 48 PRO 49 THR 50 MET 51 THR 52 GLN 53 ALA 54 GLU 55 LEU 56 GLY 57 LYS 58 GLU 59 ILE 60 GLY 61 GLU 62 THR 63 ALA 64 ALA 65 THR 66 VAL 67 ALA 68 SER 69 TYR 70 GLU 71 ARG 72 GLY 73 THR 74 ALA 75 THR 76 PRO 77 ASP 78 GLN 79 ASN 80 ILE 81 LEU 82 SER 83 LYS 84 MET 85 GLU 86 ARG 87 VAL 88 LEU 89 ASN 90 VAL 91 LYS 92 LEU 93 ARG 94 GLY 95 ALA 96 ASN 97 ILE 98 GLY 99 ALA 100 PRO 101 ARG 102 LEU 103 GLY 104 PRO 105 LYS 106 LYS 107 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 2JVL "Nmr Structure Of The C-Terminal Domain Of Mbf1 Of Trichoderm" 100.00 107 100.00 100.00 8.60e-69 GB EGR47693 "multiprotein bridging factor-like protein [Trichoderma reesei QM6a]" 93.46 155 99.00 100.00 2.63e-62 GB ETS01125 "multi protein bridging factor 1 [Trichoderma reesei RUT C-30]" 93.46 155 99.00 100.00 2.63e-62 REF XP_006966326 "multiprotein bridging factor-like protein [Trichoderma reesei QM6a]" 93.46 155 99.00 100.00 2.63e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MBF1 . 562 Bacteria . Escherichia coli 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 $MBF1 'recombinant technology' . Escherichia coli . pPROEX-HTa stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM protein, 10 mM sodium phosphate pH 6.0, 50 mM sodium chloride' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MBF1 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM . 'sodium chloride' 50 mM . H2O 95 % 'natural abundance' D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Vendor _Address _Electronic_address CCPN . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 1.0 na indirect . . . 0.251449530 water H 1 protons ppm 4.745 internal direct . . . 1.0 water N 15 protons ppm 1.0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MBF1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 4.213 0.050 1 2 2 2 ALA HB H 1.352 0.050 1 3 2 2 ALA C C 177.824 0.050 1 4 2 2 ALA CA C 53.102 0.050 1 5 2 2 ALA CB C 19.252 0.050 1 6 3 3 MET H H 8.442 0.003 1 7 3 3 MET HA H 4.472 0.006 1 8 3 3 MET HB2 H 2.084 0.005 2 9 3 3 MET HB3 H 1.963 0.004 2 10 3 3 MET HG2 H 2.569 0.002 2 11 3 3 MET HG3 H 2.487 0.002 2 12 3 3 MET C C 175.721 0.050 1 13 3 3 MET CA C 55.038 0.019 1 14 3 3 MET CB C 32.524 0.111 1 15 3 3 MET CG C 32.106 0.128 1 16 3 3 MET N N 118.096 0.034 1 17 4 4 ASP H H 8.127 0.006 1 18 4 4 ASP HA H 4.826 0.004 1 19 4 4 ASP HB2 H 2.733 0.006 2 20 4 4 ASP HB3 H 2.545 0.004 2 21 4 4 ASP CA C 52.717 0.050 1 22 4 4 ASP CB C 40.895 0.069 1 23 4 4 ASP N N 123.061 0.032 1 24 5 5 PRO HA H 4.354 0.004 1 25 5 5 PRO HB2 H 2.246 0.005 2 26 5 5 PRO HB3 H 1.850 0.007 2 27 5 5 PRO HD2 H 3.835 0.004 2 28 5 5 PRO HD3 H 3.740 0.004 2 29 5 5 PRO HG2 H 1.991 0.002 1 30 5 5 PRO CA C 63.602 0.050 1 31 5 5 PRO CB C 32.027 0.061 1 32 5 5 PRO CD C 50.714 0.059 1 33 5 5 PRO CG C 27.350 0.004 1 34 6 6 GLU H H 8.508 0.005 1 35 6 6 GLU HA H 4.120 0.009 1 36 6 6 GLU HB2 H 1.848 0.003 1 37 6 6 GLU HG2 H 2.140 0.006 2 38 6 6 GLU HG3 H 2.023 0.003 2 39 6 6 GLU C C 176.480 0.050 1 40 6 6 GLU CA C 56.990 0.008 1 41 6 6 GLU CB C 29.978 0.063 1 42 6 6 GLU CG C 36.290 0.051 1 43 6 6 GLU N N 119.812 0.040 1 44 7 7 PHE H H 8.051 0.008 1 45 7 7 PHE HA H 4.583 0.004 1 46 7 7 PHE HB2 H 3.137 0.006 2 47 7 7 PHE HB3 H 3.015 0.002 2 48 7 7 PHE C C 175.678 0.050 1 49 7 7 PHE CA C 57.677 0.041 1 50 7 7 PHE CB C 39.603 0.053 1 51 7 7 PHE N N 120.360 0.035 1 52 8 8 ALA H H 8.191 0.007 1 53 8 8 ALA HA H 4.285 0.007 1 54 8 8 ALA HB H 1.323 0.005 1 55 8 8 ALA C C 177.857 0.006 1 56 8 8 ALA CA C 52.618 0.018 1 57 8 8 ALA CB C 19.207 0.066 1 58 8 8 ALA N N 126.186 0.059 1 59 9 9 GLY H H 7.863 0.009 1 60 9 9 GLY HA2 H 3.901 0.002 1 61 9 9 GLY C C 174.674 0.009 1 62 9 9 GLY CA C 45.436 0.052 1 63 9 9 GLY N N 107.556 0.028 1 64 10 10 GLY H H 8.235 0.007 1 65 10 10 GLY HA2 H 4.041 0.003 1 66 10 10 GLY CA C 45.324 0.029 1 67 10 10 GLY N N 108.814 0.038 1 68 11 11 THR H H 8.144 0.008 1 69 11 11 THR HA H 4.325 0.007 1 70 11 11 THR HB H 4.327 0.004 1 71 11 11 THR HG2 H 1.170 0.004 1 72 11 11 THR C C 175.198 0.050 1 73 11 11 THR CA C 62.096 0.025 1 74 11 11 THR CB C 69.777 0.016 1 75 11 11 THR CG2 C 21.530 0.195 1 76 11 11 THR N N 113.128 0.053 1 77 12 12 GLU H H 8.603 0.007 1 78 12 12 GLU HA H 4.216 0.003 1 79 12 12 GLU HB2 H 1.964 0.009 1 80 12 12 GLU HG2 H 2.253 0.005 1 81 12 12 GLU C C 177.318 0.050 1 82 12 12 GLU CA C 57.420 0.014 1 83 12 12 GLU CB C 29.809 0.023 1 84 12 12 GLU CG C 36.284 0.020 1 85 12 12 GLU N N 123.091 0.056 1 86 13 13 GLY H H 8.367 0.007 1 87 13 13 GLY HA2 H 3.902 0.002 1 88 13 13 GLY C C 174.379 0.050 1 89 13 13 GLY CA C 45.472 0.097 1 90 13 13 GLY N N 109.412 0.052 1 91 14 14 GLN H H 8.106 0.002 1 92 14 14 GLN HA H 4.288 0.006 1 93 14 14 GLN HB2 H 2.073 0.005 2 94 14 14 GLN HB3 H 1.964 0.003 2 95 14 14 GLN HG2 H 2.326 0.006 1 96 14 14 GLN C C 176.094 0.050 1 97 14 14 GLN CA C 56.034 0.017 1 98 14 14 GLN CB C 29.442 0.047 1 99 14 14 GLN CG C 33.836 0.011 1 100 14 14 GLN N N 119.730 0.022 1 101 15 15 ARG H H 8.289 0.002 1 102 15 15 ARG HA H 4.305 0.008 1 103 15 15 ARG HB2 H 1.750 0.010 2 104 15 15 ARG HB3 H 1.815 0.012 2 105 15 15 ARG HD2 H 3.168 0.009 1 106 15 15 ARG HG2 H 1.609 0.005 1 107 15 15 ARG CA C 56.261 0.058 1 108 15 15 ARG CB C 30.697 0.050 1 109 15 15 ARG CD C 43.311 0.055 1 110 15 15 ARG CG C 27.064 0.070 1 111 15 15 ARG N N 121.993 0.031 1 112 16 16 LEU H H 8.272 0.005 1 113 16 16 LEU HA H 4.394 0.010 1 114 16 16 LEU HB2 H 1.625 0.020 2 115 16 16 LEU HB3 H 1.593 0.015 2 116 16 16 LEU HD1 H 0.900 0.008 2 117 16 16 LEU HD2 H 0.852 0.017 2 118 16 16 LEU CA C 55.220 0.015 1 119 16 16 LEU CB C 42.421 0.063 1 120 16 16 LEU CD1 C 24.993 0.052 2 121 16 16 LEU CD2 C 23.365 0.033 2 122 16 16 LEU CG C 27.058 0.057 1 123 16 16 LEU N N 123.126 0.056 1 124 17 17 THR H H 8.084 0.002 1 125 17 17 THR HA H 4.296 0.009 1 126 17 17 THR HB H 4.155 0.014 1 127 17 17 THR HG2 H 1.168 0.002 1 128 17 17 THR C C 174.152 0.050 1 129 17 17 THR CA C 61.842 0.119 1 130 17 17 THR CB C 69.916 0.033 1 131 17 17 THR CG2 C 21.891 0.050 1 132 17 17 THR N N 115.236 0.045 1 133 18 18 LYS H H 8.293 0.008 1 134 18 18 LYS HA H 4.345 0.007 1 135 18 18 LYS HB2 H 1.731 0.013 2 136 18 18 LYS HB3 H 1.832 0.008 2 137 18 18 LYS HD2 H 1.669 0.008 1 138 18 18 LYS HE2 H 2.979 0.008 1 139 18 18 LYS HG2 H 1.391 0.012 1 140 18 18 LYS CA C 56.309 0.050 1 141 18 18 LYS CB C 33.247 0.049 1 142 18 18 LYS CD C 29.157 0.036 1 143 18 18 LYS CE C 42.147 0.024 1 144 18 18 LYS CG C 24.731 0.037 1 145 18 18 LYS N N 124.224 0.041 1 146 19 19 VAL H H 8.165 0.004 1 147 19 19 VAL HA H 4.097 0.003 1 148 19 19 VAL HB H 2.036 0.008 1 149 19 19 VAL HG1 H 0.897 0.005 1 150 19 19 VAL C C 175.680 0.011 1 151 19 19 VAL CA C 62.135 0.003 1 152 19 19 VAL CB C 32.874 0.060 1 153 19 19 VAL CG1 C 20.998 0.072 2 154 19 19 VAL CG2 C 20.699 0.084 2 155 19 19 VAL N N 121.795 0.029 1 156 20 20 ASP H H 8.414 0.007 1 157 20 20 ASP HA H 4.590 0.007 1 158 20 20 ASP HB2 H 2.677 0.007 2 159 20 20 ASP HB3 H 2.579 0.006 2 160 20 20 ASP C C 176.012 0.050 1 161 20 20 ASP CA C 54.242 0.042 1 162 20 20 ASP CB C 41.267 0.079 1 163 20 20 ASP N N 124.574 0.043 1 164 21 21 ARG H H 8.332 0.003 1 165 21 21 ARG HA H 4.389 0.006 1 166 21 21 ARG HB2 H 1.913 0.002 2 167 21 21 ARG HB3 H 1.743 0.004 2 168 21 21 ARG HD2 H 3.181 0.006 1 169 21 21 ARG HG2 H 1.601 0.006 1 170 21 21 ARG C C 176.454 0.005 1 171 21 21 ARG CA C 55.931 0.041 1 172 21 21 ARG CB C 30.748 0.041 1 173 21 21 ARG CD C 43.220 0.108 1 174 21 21 ARG CG C 27.008 0.014 1 175 21 21 ARG N N 121.985 0.035 1 176 22 22 SER H H 8.462 0.002 1 177 22 22 SER HA H 4.378 0.006 1 178 22 22 SER HB2 H 3.868 0.009 1 179 22 22 SER C C 174.544 0.050 1 180 22 22 SER CA C 58.942 0.050 1 181 22 22 SER CB C 63.674 0.050 1 182 22 22 SER N N 117.436 0.032 1 183 23 23 ASP H H 8.379 0.002 1 184 23 23 ASP HA H 4.595 0.004 1 185 23 23 ASP HB2 H 2.675 0.005 2 186 23 23 ASP HB3 H 2.586 0.010 2 187 23 23 ASP CA C 54.512 0.050 1 188 23 23 ASP CB C 41.168 0.077 1 189 23 23 ASP N N 121.819 0.039 1 190 24 24 ASP H H 8.143 0.003 1 191 24 24 ASP HA H 4.546 0.006 1 192 24 24 ASP HB2 H 2.662 0.007 2 193 24 24 ASP HB3 H 2.568 0.009 2 194 24 24 ASP CA C 54.654 0.029 1 195 24 24 ASP CB C 41.113 0.068 1 196 24 24 ASP N N 120.173 0.037 1 197 25 25 ILE H H 7.910 0.003 1 198 25 25 ILE HA H 4.100 0.006 1 199 25 25 ILE HB H 1.856 0.009 1 200 25 25 ILE HD1 H 0.841 0.005 1 201 25 25 ILE HG12 H 1.447 0.004 2 202 25 25 ILE HG13 H 1.176 0.003 2 203 25 25 ILE HG2 H 0.858 0.006 1 204 25 25 ILE C C 176.257 0.050 1 205 25 25 ILE CA C 61.376 0.009 1 206 25 25 ILE CB C 38.548 0.056 1 207 25 25 ILE CD1 C 12.788 0.062 1 208 25 25 ILE CG1 C 27.351 0.049 1 209 25 25 ILE CG2 C 17.522 0.035 1 210 25 25 ILE N N 120.088 0.043 1 211 26 26 ILE H H 8.117 0.004 1 212 26 26 ILE HA H 4.099 0.004 1 213 26 26 ILE HB H 1.845 0.007 1 214 26 26 ILE HD1 H 0.832 0.002 1 215 26 26 ILE HG12 H 1.455 0.009 2 216 26 26 ILE HG13 H 1.184 0.050 2 217 26 26 ILE HG2 H 0.854 0.004 1 218 26 26 ILE C C 175.941 0.050 1 219 26 26 ILE CA C 61.088 0.014 1 220 26 26 ILE CB C 38.246 0.069 1 221 26 26 ILE CD1 C 12.711 0.063 1 222 26 26 ILE CG1 C 27.379 0.055 1 223 26 26 ILE CG2 C 17.530 0.043 1 224 26 26 ILE N N 124.530 0.071 1 225 27 27 LYS H H 8.279 0.006 1 226 27 27 LYS HA H 4.585 0.007 1 227 27 27 LYS HB2 H 1.799 0.007 2 228 27 27 LYS HB3 H 1.691 0.016 2 229 27 27 LYS HD2 H 1.673 0.006 1 230 27 27 LYS HE2 H 2.985 0.008 1 231 27 27 LYS HG2 H 1.447 0.012 2 232 27 27 LYS HG3 H 1.421 0.005 2 233 27 27 LYS CA C 54.084 0.050 1 234 27 27 LYS CB C 32.426 0.077 1 235 27 27 LYS CD C 29.196 0.064 1 236 27 27 LYS CE C 42.157 0.026 1 237 27 27 LYS CG C 24.686 0.017 1 238 27 27 LYS N N 127.064 0.060 1 239 28 28 PRO HA H 4.401 0.008 1 240 28 28 PRO HB2 H 2.273 0.018 2 241 28 28 PRO HB3 H 1.879 0.010 2 242 28 28 PRO HD2 H 3.817 0.007 2 243 28 28 PRO HD3 H 3.613 0.009 2 244 28 28 PRO HG2 H 1.999 0.004 1 245 28 28 PRO C C 176.816 0.050 1 246 28 28 PRO CA C 62.985 0.050 1 247 28 28 PRO CB C 32.218 0.072 1 248 28 28 PRO CD C 50.659 0.069 1 249 28 28 PRO CG C 27.343 0.068 1 250 29 29 LYS H H 8.483 0.005 1 251 29 29 LYS HA H 4.355 0.003 1 252 29 29 LYS HB2 H 1.758 0.002 2 253 29 29 LYS HB3 H 1.838 0.050 2 254 29 29 LYS HE2 H 3.017 0.050 1 255 29 29 LYS C C 176.386 0.050 1 256 29 29 LYS CA C 56.420 0.011 1 257 29 29 LYS CB C 33.105 0.096 1 258 29 29 LYS CD C 29.087 0.050 1 259 29 29 LYS CE C 42.193 0.050 1 260 29 29 LYS CG C 24.800 0.050 1 261 29 29 LYS N N 121.772 0.049 1 262 30 30 THR H H 7.793 0.005 1 263 30 30 THR HA H 4.792 0.008 1 264 30 30 THR HB H 4.383 0.005 1 265 30 30 THR HG2 H 1.031 0.002 1 266 30 30 THR C C 175.618 0.050 1 267 30 30 THR CA C 59.786 0.026 1 268 30 30 THR CB C 71.508 0.025 1 269 30 30 THR CG2 C 22.191 0.136 1 270 30 30 THR N N 110.000 0.081 1 271 31 31 VAL H H 8.347 0.005 1 272 31 31 VAL HA H 3.796 0.004 1 273 31 31 VAL HB H 1.722 0.003 1 274 31 31 VAL C C 176.848 0.013 1 275 31 31 VAL CA C 64.491 0.010 1 276 31 31 VAL CB C 32.692 0.111 1 277 31 31 VAL CG1 C 21.593 0.030 2 278 31 31 VAL CG2 C 21.907 0.041 2 279 31 31 VAL N N 118.850 0.053 1 280 32 32 GLY H H 8.137 0.007 1 281 32 32 GLY C C 174.222 0.017 1 282 32 32 GLY CA C 45.040 0.034 1 283 32 32 GLY N N 107.419 0.053 1 284 33 33 LYS H H 8.536 0.005 1 285 33 33 LYS HA H 3.922 0.004 1 286 33 33 LYS HB2 H 1.832 0.004 1 287 33 33 LYS HD2 H 1.680 0.003 1 288 33 33 LYS HE2 H 2.997 0.050 1 289 33 33 LYS HG2 H 1.441 0.008 2 290 33 33 LYS HG3 H 1.529 0.050 2 291 33 33 LYS C C 178.401 0.050 1 292 33 33 LYS CA C 58.731 0.059 1 293 33 33 LYS CB C 32.852 0.061 1 294 33 33 LYS CD C 29.118 0.016 1 295 33 33 LYS CG C 25.110 0.117 1 296 33 33 LYS N N 119.064 0.030 1 297 34 34 GLU H H 8.607 0.005 1 298 34 34 GLU HA H 4.052 0.007 1 299 34 34 GLU HB2 H 2.064 0.011 2 300 34 34 GLU HB3 H 2.028 0.011 2 301 34 34 GLU HG2 H 2.276 0.004 1 302 34 34 GLU C C 179.600 0.050 1 303 34 34 GLU CA C 60.031 0.013 1 304 34 34 GLU CB C 28.646 0.056 1 305 34 34 GLU CG C 36.684 0.017 1 306 34 34 GLU N N 121.289 0.045 1 307 35 35 VAL H H 8.462 0.005 1 308 35 35 VAL HA H 3.522 0.005 1 309 35 35 VAL HB H 1.953 0.006 1 310 35 35 VAL C C 177.655 0.050 1 311 35 35 VAL CA C 66.461 0.016 1 312 35 35 VAL CB C 31.641 0.081 1 313 35 35 VAL CG1 C 22.119 0.031 2 314 35 35 VAL CG2 C 24.036 0.061 2 315 35 35 VAL N N 122.206 0.037 1 316 36 36 GLY H H 7.920 0.005 1 317 36 36 GLY HA2 H 3.969 0.009 2 318 36 36 GLY HA3 H 3.873 0.007 2 319 36 36 GLY C C 176.128 0.050 1 320 36 36 GLY CA C 49.637 0.005 1 321 36 36 GLY N N 105.717 0.045 1 322 37 37 LYS H H 8.194 0.006 1 323 37 37 LYS HA H 4.219 0.004 1 324 37 37 LYS HB2 H 1.920 0.012 2 325 37 37 LYS HB3 H 1.867 0.008 2 326 37 37 LYS HD2 H 1.714 0.011 1 327 37 37 LYS HG2 H 1.530 0.005 2 328 37 37 LYS HG3 H 1.524 0.007 2 329 37 37 LYS C C 178.395 0.050 1 330 37 37 LYS CA C 57.937 0.001 1 331 37 37 LYS CB C 31.903 0.049 1 332 37 37 LYS CD C 28.698 0.005 1 333 37 37 LYS CG C 24.665 0.038 1 334 37 37 LYS N N 119.697 0.050 1 335 38 38 ALA H H 7.556 0.005 1 336 38 38 ALA HA H 4.174 0.004 1 337 38 38 ALA HB H 1.398 0.004 1 338 38 38 ALA C C 180.685 0.050 1 339 38 38 ALA CA C 54.807 0.029 1 340 38 38 ALA CB C 18.318 0.063 1 341 38 38 ALA N N 121.961 0.035 1 342 39 39 ILE H H 7.952 0.005 1 343 39 39 ILE HA H 3.466 0.007 1 344 39 39 ILE HB H 2.001 0.007 1 345 39 39 ILE HD1 H 0.877 0.005 1 346 39 39 ILE HG12 H 2.021 0.007 2 347 39 39 ILE HG13 H 0.811 0.002 2 348 39 39 ILE HG2 H 0.971 0.003 1 349 39 39 ILE C C 176.917 0.050 1 350 39 39 ILE CA C 65.782 0.017 1 351 39 39 ILE CB C 38.744 0.065 1 352 39 39 ILE CD1 C 16.934 0.037 1 353 39 39 ILE CG1 C 29.966 0.065 1 354 39 39 ILE CG2 C 17.768 0.083 1 355 39 39 ILE N N 120.989 0.032 1 356 40 40 GLU H H 7.641 0.006 1 357 40 40 GLU HA H 3.806 0.006 1 358 40 40 GLU HG2 H 2.000 0.002 2 359 40 40 GLU HG3 H 2.247 0.007 2 360 40 40 GLU C C 179.285 0.050 1 361 40 40 GLU CA C 60.226 0.016 1 362 40 40 GLU CB C 30.397 0.069 1 363 40 40 GLU CG C 36.065 0.112 1 364 40 40 GLU N N 120.355 0.025 1 365 41 41 GLN H H 8.805 0.005 1 366 41 41 GLN HA H 4.005 0.005 1 367 41 41 GLN HB2 H 2.021 0.004 2 368 41 41 GLN HB3 H 2.184 0.004 2 369 41 41 GLN HE21 H 6.842 0.002 1 370 41 41 GLN HE22 H 7.569 0.050 1 371 41 41 GLN C C 179.732 0.050 1 372 41 41 GLN CA C 58.562 0.047 1 373 41 41 GLN CB C 28.305 0.068 1 374 41 41 GLN CG C 34.800 0.041 1 375 41 41 GLN N N 116.200 0.039 1 376 41 41 GLN NE2 N 112.201 0.019 1 377 42 42 GLY H H 8.340 0.004 1 378 42 42 GLY C C 176.527 0.050 1 379 42 42 GLY CA C 47.422 0.041 1 380 42 42 GLY N N 109.892 0.044 1 381 43 43 ARG H H 8.230 0.006 1 382 43 43 ARG HA H 4.155 0.004 1 383 43 43 ARG HE H 11.234 0.004 1 384 43 43 ARG HG2 H 1.221 0.002 2 385 43 43 ARG HG3 H 2.050 0.002 2 386 43 43 ARG C C 178.979 0.050 1 387 43 43 ARG CA C 61.223 0.009 1 388 43 43 ARG CB C 29.949 0.053 1 389 43 43 ARG CD C 42.220 0.050 1 390 43 43 ARG CG C 31.848 0.038 1 391 43 43 ARG N N 120.880 0.051 1 392 43 43 ARG NE N 87.647 0.050 1 393 44 44 GLN H H 7.627 0.006 1 394 44 44 GLN HA H 4.451 0.005 1 395 44 44 GLN HE21 H 6.785 0.001 1 396 44 44 GLN HE22 H 7.218 0.002 1 397 44 44 GLN HG2 H 2.651 0.004 2 398 44 44 GLN HG3 H 2.546 0.005 2 399 44 44 GLN C C 176.333 0.050 1 400 44 44 GLN CA C 56.450 0.022 1 401 44 44 GLN CB C 28.271 0.035 1 402 44 44 GLN CG C 34.058 0.036 1 403 44 44 GLN N N 114.549 0.044 1 404 44 44 GLN NE2 N 110.684 0.021 1 405 45 45 LYS H H 7.411 0.004 1 406 45 45 LYS HA H 4.156 0.003 1 407 45 45 LYS HB2 H 1.724 0.003 1 408 45 45 LYS HD2 H 1.651 0.050 1 409 45 45 LYS C C 176.950 0.050 1 410 45 45 LYS CA C 56.976 0.034 1 411 45 45 LYS CB C 32.093 0.037 1 412 45 45 LYS CD C 28.838 0.050 1 413 45 45 LYS CE C 42.115 0.050 1 414 45 45 LYS CG C 24.801 0.022 1 415 45 45 LYS N N 117.557 0.033 1 416 46 46 PHE H H 7.066 0.006 1 417 46 46 PHE HA H 4.251 0.004 1 418 46 46 PHE HD1 H 7.485 0.006 3 419 46 46 PHE HD2 H 7.485 0.006 3 420 46 46 PHE C C 173.375 0.017 1 421 46 46 PHE CA C 58.407 0.025 1 422 46 46 PHE CB C 40.817 0.079 1 423 46 46 PHE N N 119.227 0.033 1 424 47 47 GLU H H 8.200 0.007 1 425 47 47 GLU HA H 4.612 0.006 1 426 47 47 GLU HG2 H 2.129 0.003 2 427 47 47 GLU HG3 H 2.089 0.006 2 428 47 47 GLU C C 174.507 0.050 1 429 47 47 GLU CA C 52.421 0.050 1 430 47 47 GLU CB C 32.231 0.038 1 431 47 47 GLU CG C 36.012 0.028 1 432 47 47 GLU N N 120.384 0.032 1 433 48 48 PRO HA H 4.829 0.004 1 434 48 48 PRO HB2 H 2.431 0.006 2 435 48 48 PRO HB3 H 2.069 0.008 2 436 48 48 PRO HD2 H 3.599 0.002 2 437 48 48 PRO HD3 H 3.498 0.005 2 438 48 48 PRO HG2 H 1.917 0.002 2 439 48 48 PRO HG3 H 1.864 0.009 2 440 48 48 PRO CA C 63.306 0.036 1 441 48 48 PRO CB C 34.702 0.051 1 442 48 48 PRO CD C 50.062 0.040 1 443 48 48 PRO CG C 25.138 0.044 1 444 49 49 THR H H 8.155 0.006 1 445 49 49 THR HA H 3.983 0.005 1 446 49 49 THR HB H 3.875 0.003 1 447 49 49 THR HG2 H 1.134 0.004 1 448 49 49 THR C C 174.598 0.026 1 449 49 49 THR CA C 64.293 0.109 1 450 49 49 THR CB C 70.239 0.093 1 451 49 49 THR CG2 C 22.498 0.048 1 452 49 49 THR N N 115.527 0.042 1 453 50 50 MET H H 7.789 0.009 1 454 50 50 MET HA H 4.351 0.003 1 455 50 50 MET HB2 H 1.701 0.004 2 456 50 50 MET HB3 H 1.896 0.009 2 457 50 50 MET HE H 1.128 0.002 1 458 50 50 MET HG2 H 2.512 0.006 2 459 50 50 MET HG3 H 2.285 0.004 2 460 50 50 MET C C 176.196 0.024 1 461 50 50 MET CA C 55.752 0.007 1 462 50 50 MET CB C 35.747 0.041 1 463 50 50 MET CE C 15.902 0.026 1 464 50 50 MET CG C 31.309 0.051 1 465 50 50 MET N N 128.638 0.061 1 466 51 51 THR H H 8.855 0.007 1 467 51 51 THR HA H 4.342 0.005 1 468 51 51 THR HB H 4.751 0.006 1 469 51 51 THR HG2 H 1.294 0.003 1 470 51 51 THR C C 176.217 0.050 1 471 51 51 THR CA C 61.699 0.001 1 472 51 51 THR CB C 70.927 0.024 1 473 51 51 THR CG2 C 21.719 0.032 1 474 51 51 THR N N 119.282 0.059 1 475 52 52 GLN H H 9.172 0.005 1 476 52 52 GLN HA H 3.708 0.007 1 477 52 52 GLN HB2 H 2.210 0.008 2 478 52 52 GLN HB3 H 1.660 0.014 2 479 52 52 GLN HE21 H 6.777 0.004 1 480 52 52 GLN HE22 H 7.855 0.002 1 481 52 52 GLN HG2 H 2.208 0.008 2 482 52 52 GLN HG3 H 2.555 0.004 2 483 52 52 GLN C C 178.586 0.050 1 484 52 52 GLN CA C 60.577 0.099 1 485 52 52 GLN CB C 28.106 0.150 1 486 52 52 GLN CG C 34.096 0.085 1 487 52 52 GLN N N 119.585 0.040 1 488 52 52 GLN NE2 N 111.689 0.020 1 489 53 53 ALA H H 8.546 0.002 1 490 53 53 ALA HA H 3.895 0.006 1 491 53 53 ALA HB H 1.416 0.008 1 492 53 53 ALA C C 180.627 0.050 1 493 53 53 ALA CA C 55.161 0.003 1 494 53 53 ALA CB C 18.142 0.026 1 495 53 53 ALA N N 119.067 0.029 1 496 54 54 GLU H H 8.043 0.009 1 497 54 54 GLU HA H 3.863 0.007 1 498 54 54 GLU HB2 H 1.841 0.009 2 499 54 54 GLU HB3 H 2.230 0.008 2 500 54 54 GLU HG2 H 2.243 0.005 1 501 54 54 GLU C C 178.842 0.050 1 502 54 54 GLU CA C 59.176 0.050 1 503 54 54 GLU CB C 29.901 0.140 1 504 54 54 GLU CG C 37.021 0.028 1 505 54 54 GLU N N 121.354 0.047 1 506 55 55 LEU H H 8.132 0.006 1 507 55 55 LEU HA H 4.085 0.003 1 508 55 55 LEU HG H 1.341 0.008 1 509 55 55 LEU C C 178.398 0.050 1 510 55 55 LEU CA C 58.352 0.083 1 511 55 55 LEU CB C 40.028 0.055 1 512 55 55 LEU CD1 C 22.953 0.044 2 513 55 55 LEU CD2 C 27.253 0.127 2 514 55 55 LEU CG C 27.351 0.214 1 515 55 55 LEU N N 120.983 0.033 1 516 56 56 GLY H H 8.293 0.004 1 517 56 56 GLY HA2 H 3.143 0.006 2 518 56 56 GLY HA3 H 3.390 0.007 2 519 56 56 GLY C C 175.605 0.050 1 520 56 56 GLY CA C 48.165 0.070 1 521 56 56 GLY N N 105.376 0.051 1 522 57 57 LYS H H 8.165 0.007 1 523 57 57 LYS HA H 4.025 0.002 1 524 57 57 LYS HB2 H 1.974 0.008 2 525 57 57 LYS HB3 H 1.901 0.009 2 526 57 57 LYS HD2 H 1.658 0.007 1 527 57 57 LYS HE2 H 2.925 0.006 1 528 57 57 LYS HG2 H 1.501 0.004 2 529 57 57 LYS HG3 H 1.393 0.004 2 530 57 57 LYS C C 179.917 0.050 1 531 57 57 LYS CA C 59.524 0.003 1 532 57 57 LYS CB C 32.009 0.027 1 533 57 57 LYS CD C 29.273 0.064 1 534 57 57 LYS CE C 42.115 0.031 1 535 57 57 LYS CG C 24.710 0.015 1 536 57 57 LYS N N 122.855 0.031 1 537 58 58 GLU H H 7.859 0.010 1 538 58 58 GLU HA H 4.075 0.005 1 539 58 58 GLU HB2 H 2.088 0.007 2 540 58 58 GLU HB3 H 2.172 0.008 2 541 58 58 GLU C C 178.548 0.050 1 542 58 58 GLU CA C 58.731 0.059 1 543 58 58 GLU CB C 30.132 0.058 1 544 58 58 GLU CG C 35.448 0.050 1 545 58 58 GLU N N 117.274 0.046 1 546 59 59 ILE H H 7.666 0.007 1 547 59 59 ILE HA H 4.580 0.006 1 548 59 59 ILE HB H 2.084 0.006 1 549 59 59 ILE HD1 H 0.474 0.003 1 550 59 59 ILE HG12 H 1.761 0.007 2 551 59 59 ILE HG13 H 1.033 0.005 2 552 59 59 ILE HG2 H 0.675 0.004 1 553 59 59 ILE C C 175.100 0.050 1 554 59 59 ILE CA C 60.679 0.018 1 555 59 59 ILE CB C 39.322 0.048 1 556 59 59 ILE CD1 C 15.592 0.059 1 557 59 59 ILE CG1 C 24.638 0.032 1 558 59 59 ILE CG2 C 17.568 0.043 1 559 59 59 ILE N N 108.211 0.041 1 560 60 60 GLY H H 7.920 0.003 1 561 60 60 GLY C C 174.552 0.017 1 562 60 60 GLY CA C 46.783 0.018 1 563 60 60 GLY N N 112.946 0.077 1 564 61 61 GLU H H 8.505 0.006 1 565 61 61 GLU HA H 4.869 0.006 1 566 61 61 GLU HB2 H 2.197 0.009 2 567 61 61 GLU HB3 H 1.073 0.012 2 568 61 61 GLU HG2 H 2.027 0.009 2 569 61 61 GLU HG3 H 1.867 0.003 2 570 61 61 GLU C C 175.560 0.050 1 571 61 61 GLU CA C 53.185 0.008 1 572 61 61 GLU CB C 33.138 0.107 1 573 61 61 GLU CG C 34.761 0.047 1 574 61 61 GLU N N 116.837 0.048 1 575 62 62 THR H H 9.028 0.007 1 576 62 62 THR HA H 4.279 0.003 1 577 62 62 THR HB H 4.740 0.005 1 578 62 62 THR HG2 H 1.326 0.003 1 579 62 62 THR C C 175.711 0.050 1 580 62 62 THR CA C 61.028 0.014 1 581 62 62 THR CB C 71.418 0.009 1 582 62 62 THR CG2 C 22.396 0.000 1 583 62 62 THR N N 110.777 0.034 1 584 63 63 ALA H H 8.928 0.005 1 585 63 63 ALA HA H 3.729 0.008 1 586 63 63 ALA HB H 1.357 0.007 1 587 63 63 ALA C C 179.312 0.050 1 588 63 63 ALA CA C 55.220 0.015 1 589 63 63 ALA CB C 17.621 0.027 1 590 63 63 ALA N N 122.598 0.054 1 591 64 64 ALA H H 8.069 0.005 1 592 64 64 ALA HA H 4.101 0.013 1 593 64 64 ALA HB H 1.403 0.004 1 594 64 64 ALA C C 181.153 0.050 1 595 64 64 ALA CA C 54.844 0.056 1 596 64 64 ALA CB C 17.894 0.059 1 597 64 64 ALA N N 119.083 0.042 1 598 65 65 THR H H 8.139 0.003 1 599 65 65 THR HA H 3.922 0.004 1 600 65 65 THR HB H 4.449 0.006 1 601 65 65 THR HG2 H 1.160 0.005 1 602 65 65 THR C C 177.062 0.050 1 603 65 65 THR CA C 66.528 0.136 1 604 65 65 THR CB C 67.549 0.170 1 605 65 65 THR CG2 C 21.861 0.087 1 606 65 65 THR N N 120.161 0.055 1 607 66 66 VAL H H 7.812 0.008 1 608 66 66 VAL HA H 3.143 0.005 1 609 66 66 VAL HB H 2.113 0.008 1 610 66 66 VAL C C 177.385 0.050 1 611 66 66 VAL CA C 68.308 0.040 1 612 66 66 VAL CB C 31.397 0.050 1 613 66 66 VAL CG1 C 21.882 0.119 2 614 66 66 VAL CG2 C 23.129 0.099 2 615 66 66 VAL N N 122.182 0.069 1 616 67 67 ALA H H 8.763 0.004 1 617 67 67 ALA HA H 3.965 0.005 1 618 67 67 ALA HB H 1.462 0.004 1 619 67 67 ALA C C 179.984 0.050 1 620 67 67 ALA CA C 55.696 0.029 1 621 67 67 ALA CB C 17.968 0.050 1 622 67 67 ALA N N 120.866 0.031 1 623 68 68 SER H H 7.924 0.004 1 624 68 68 SER HA H 4.127 0.003 1 625 68 68 SER HB2 H 3.999 0.001 1 626 68 68 SER C C 176.910 0.050 1 627 68 68 SER CA C 61.248 0.050 1 628 68 68 SER CB C 63.063 0.005 1 629 68 68 SER N N 113.796 0.041 1 630 69 69 TYR H H 8.113 0.006 1 631 69 69 TYR HA H 3.851 0.006 1 632 69 69 TYR HD1 H 7.069 0.050 3 633 69 69 TYR HD2 H 7.067 0.006 3 634 69 69 TYR HE1 H 6.543 0.050 3 635 69 69 TYR HE2 H 6.543 0.050 3 636 69 69 TYR C C 178.576 0.050 1 637 69 69 TYR CA C 62.844 0.028 1 638 69 69 TYR CB C 38.041 0.157 1 639 69 69 TYR N N 123.906 0.046 1 640 70 70 GLU H H 8.273 0.003 1 641 70 70 GLU HA H 4.142 0.003 1 642 70 70 GLU HB2 H 1.959 0.005 2 643 70 70 GLU HB3 H 1.893 0.011 2 644 70 70 GLU HG2 H 2.596 0.006 2 645 70 70 GLU HG3 H 2.261 0.004 2 646 70 70 GLU C C 178.683 0.013 1 647 70 70 GLU CA C 59.923 0.013 1 648 70 70 GLU CB C 29.383 0.055 1 649 70 70 GLU CG C 37.416 0.023 1 650 70 70 GLU N N 117.528 0.057 1 651 71 71 ARG H H 8.092 0.004 1 652 71 71 ARG HA H 4.224 0.002 1 653 71 71 ARG HB2 H 1.934 0.002 2 654 71 71 ARG HB3 H 1.841 0.050 2 655 71 71 ARG HD2 H 3.178 0.021 1 656 71 71 ARG HG2 H 1.851 0.004 2 657 71 71 ARG HG3 H 1.761 0.008 2 658 71 71 ARG C C 177.503 0.001 1 659 71 71 ARG CA C 56.908 0.021 1 660 71 71 ARG CB C 31.278 0.050 1 661 71 71 ARG CD C 43.612 0.012 1 662 71 71 ARG CG C 27.892 0.051 1 663 71 71 ARG N N 115.293 0.017 1 664 72 72 GLY H H 7.736 0.006 1 665 72 72 GLY HA2 H 3.780 0.005 2 666 72 72 GLY HA3 H 3.662 0.002 2 667 72 72 GLY C C 174.617 0.010 1 668 72 72 GLY CA C 45.177 0.021 1 669 72 72 GLY N N 106.685 0.047 1 670 73 73 THR H H 7.786 0.003 1 671 73 73 THR HA H 4.148 0.004 1 672 73 73 THR HB H 4.349 0.005 1 673 73 73 THR HG2 H 1.062 0.004 1 674 73 73 THR C C 174.416 0.039 1 675 73 73 THR CA C 61.962 0.040 1 676 73 73 THR CB C 69.063 0.038 1 677 73 73 THR CG2 C 22.131 0.026 1 678 73 73 THR N N 109.049 0.038 1 679 74 74 ALA H H 6.492 0.004 1 680 74 74 ALA HA H 4.000 0.006 1 681 74 74 ALA HB H 0.528 0.003 1 682 74 74 ALA C C 176.585 0.050 1 683 74 74 ALA CA C 51.867 0.009 1 684 74 74 ALA CB C 19.238 0.072 1 685 74 74 ALA N N 123.535 0.031 1 686 75 75 THR H H 8.500 0.003 1 687 75 75 THR HA H 4.540 0.005 1 688 75 75 THR HB H 4.010 0.005 1 689 75 75 THR HG2 H 1.236 0.004 1 690 75 75 THR C C 173.058 0.050 1 691 75 75 THR CA C 60.151 0.050 1 692 75 75 THR CB C 69.530 0.050 1 693 75 75 THR CG2 C 21.614 0.050 1 694 75 75 THR N N 119.097 0.048 1 695 76 76 PRO HA H 3.879 0.003 1 696 76 76 PRO HB2 H 1.873 0.004 1 697 76 76 PRO HD2 H 3.439 0.004 2 698 76 76 PRO HD3 H 3.561 0.004 2 699 76 76 PRO HG2 H 1.631 0.003 2 700 76 76 PRO HG3 H 2.027 0.003 2 701 76 76 PRO C C 175.574 0.050 1 702 76 76 PRO CA C 63.573 0.050 1 703 76 76 PRO CB C 31.838 0.042 1 704 76 76 PRO CD C 50.431 0.063 1 705 76 76 PRO CG C 27.480 0.047 1 706 77 77 ASP H H 7.691 0.007 1 707 77 77 ASP HA H 4.842 0.005 1 708 77 77 ASP HB2 H 2.994 0.005 2 709 77 77 ASP HB3 H 2.597 0.011 2 710 77 77 ASP C C 176.918 0.050 1 711 77 77 ASP CA C 52.929 0.017 1 712 77 77 ASP CB C 43.262 0.026 1 713 77 77 ASP N N 124.466 0.042 1 714 78 78 GLN H H 9.242 0.007 1 715 78 78 GLN HA H 3.872 0.004 1 716 78 78 GLN HB2 H 2.016 0.009 2 717 78 78 GLN HB3 H 2.187 0.011 2 718 78 78 GLN HE21 H 7.030 0.004 1 719 78 78 GLN HE22 H 7.615 0.001 1 720 78 78 GLN HG2 H 2.478 0.004 1 721 78 78 GLN C C 178.043 0.050 1 722 78 78 GLN CA C 58.812 0.122 1 723 78 78 GLN CB C 28.230 0.057 1 724 78 78 GLN CG C 33.451 0.035 1 725 78 78 GLN N N 124.640 0.065 1 726 78 78 GLN NE2 N 113.904 0.003 1 727 79 79 ASN H H 8.599 0.006 1 728 79 79 ASN HA H 4.498 0.004 1 729 79 79 ASN HB2 H 2.976 0.005 2 730 79 79 ASN HB3 H 2.854 0.005 2 731 79 79 ASN HD21 H 7.049 0.050 1 732 79 79 ASN HD22 H 8.020 0.050 1 733 79 79 ASN C C 177.811 0.016 1 734 79 79 ASN CA C 56.356 0.013 1 735 79 79 ASN CB C 38.267 0.080 1 736 79 79 ASN N N 118.359 0.047 1 737 79 79 ASN ND2 N 115.140 0.020 1 738 80 80 ILE H H 7.761 0.005 1 739 80 80 ILE HA H 3.406 0.004 1 740 80 80 ILE HB H 2.013 0.010 1 741 80 80 ILE HD1 H 0.831 0.004 1 742 80 80 ILE HG12 H 0.832 0.004 2 743 80 80 ILE HG13 H 1.664 0.005 2 744 80 80 ILE HG2 H 0.313 0.002 1 745 80 80 ILE C C 178.350 0.050 1 746 80 80 ILE CA C 66.502 0.050 1 747 80 80 ILE CB C 37.146 0.148 1 748 80 80 ILE CD1 C 12.638 0.035 1 749 80 80 ILE CG1 C 30.252 0.118 1 750 80 80 ILE CG2 C 17.021 0.040 1 751 80 80 ILE N N 121.683 0.039 1 752 81 81 LEU H H 8.114 0.005 1 753 81 81 LEU HA H 3.895 0.010 1 754 81 81 LEU HB2 H 1.148 0.014 2 755 81 81 LEU HB3 H 1.830 0.011 2 756 81 81 LEU HD1 H 0.914 0.006 2 757 81 81 LEU HD2 H 0.987 0.008 2 758 81 81 LEU HG H 1.858 0.000 1 759 81 81 LEU C C 178.889 0.036 1 760 81 81 LEU CA C 58.480 0.004 1 761 81 81 LEU CB C 42.011 0.083 1 762 81 81 LEU CD1 C 25.938 0.049 2 763 81 81 LEU CD2 C 24.052 0.054 2 764 81 81 LEU CG C 27.505 0.021 1 765 81 81 LEU N N 117.858 0.048 1 766 82 82 SER H H 8.140 0.005 1 767 82 82 SER HA H 4.259 0.008 1 768 82 82 SER CA C 61.918 0.107 1 769 82 82 SER CB C 63.065 0.050 1 770 82 82 SER N N 113.866 0.035 1 771 83 83 LYS H H 7.811 0.005 1 772 83 83 LYS HA H 4.044 0.007 1 773 83 83 LYS HB2 H 1.974 0.007 2 774 83 83 LYS HB3 H 1.661 0.003 2 775 83 83 LYS HD2 H 1.820 0.017 2 776 83 83 LYS HD3 H 1.713 0.025 2 777 83 83 LYS HE2 H 2.839 0.015 2 778 83 83 LYS HE3 H 2.780 0.009 2 779 83 83 LYS HG2 H 1.886 0.009 2 780 83 83 LYS HG3 H 1.441 0.000 2 781 83 83 LYS C C 179.432 0.050 1 782 83 83 LYS CA C 60.688 0.044 1 783 83 83 LYS CB C 32.635 0.056 1 784 83 83 LYS CD C 30.108 0.052 1 785 83 83 LYS CE C 42.291 0.055 1 786 83 83 LYS CG C 26.015 0.030 1 787 83 83 LYS N N 121.913 0.042 1 788 84 84 MET H H 8.287 0.003 1 789 84 84 MET HA H 3.686 0.007 1 790 84 84 MET HB2 H 2.174 0.010 2 791 84 84 MET HB3 H 1.690 0.008 2 792 84 84 MET HE H 1.404 0.001 1 793 84 84 MET C C 177.759 0.039 1 794 84 84 MET CA C 60.805 0.020 1 795 84 84 MET CB C 33.231 0.022 1 796 84 84 MET CE C 17.512 0.053 1 797 84 84 MET CG C 35.377 0.031 1 798 84 84 MET N N 117.857 0.061 1 799 85 85 GLU H H 8.502 0.003 1 800 85 85 GLU HA H 4.110 0.005 1 801 85 85 GLU HG2 H 2.804 0.009 2 802 85 85 GLU HG3 H 2.747 0.008 2 803 85 85 GLU C C 179.803 0.036 1 804 85 85 GLU CA C 60.039 0.073 1 805 85 85 GLU CB C 30.805 0.044 1 806 85 85 GLU CG C 36.977 0.040 1 807 85 85 GLU N N 118.651 0.033 1 808 86 86 ARG H H 7.314 0.006 1 809 86 86 ARG HA H 4.029 0.005 1 810 86 86 ARG HB2 H 2.006 0.008 2 811 86 86 ARG HB3 H 1.945 0.014 2 812 86 86 ARG HD2 H 3.214 0.006 1 813 86 86 ARG HG2 H 1.801 0.006 2 814 86 86 ARG HG3 H 1.616 0.004 2 815 86 86 ARG C C 178.214 0.035 1 816 86 86 ARG CA C 58.861 0.021 1 817 86 86 ARG CB C 30.080 0.071 1 818 86 86 ARG CD C 43.387 0.100 1 819 86 86 ARG CG C 27.604 0.078 1 820 86 86 ARG N N 116.217 0.044 1 821 87 87 VAL H H 7.592 0.005 1 822 87 87 VAL HA H 3.780 0.004 1 823 87 87 VAL HB H 1.773 0.005 1 824 87 87 VAL C C 177.155 0.050 1 825 87 87 VAL CA C 65.417 0.078 1 826 87 87 VAL CB C 32.914 0.020 1 827 87 87 VAL CG1 C 23.308 0.050 2 828 87 87 VAL CG2 C 21.438 0.063 2 829 87 87 VAL N N 118.141 0.061 1 830 88 88 LEU H H 8.335 0.005 1 831 88 88 LEU HA H 4.366 0.005 1 832 88 88 LEU HB2 H 1.877 0.009 2 833 88 88 LEU HB3 H 1.358 0.004 2 834 88 88 LEU C C 176.606 0.014 1 835 88 88 LEU CA C 55.161 0.098 1 836 88 88 LEU CB C 43.835 0.027 1 837 88 88 LEU CD1 C 26.867 0.056 2 838 88 88 LEU CD2 C 23.058 0.056 2 839 88 88 LEU N N 113.828 0.037 1 840 89 89 ASN H H 8.128 0.002 1 841 89 89 ASN HA H 4.459 0.003 1 842 89 89 ASN HB2 H 2.676 0.005 2 843 89 89 ASN HB3 H 3.253 0.005 2 844 89 89 ASN HD21 H 6.862 0.002 1 845 89 89 ASN HD22 H 7.566 0.001 1 846 89 89 ASN C C 175.015 0.000 1 847 89 89 ASN CA C 54.514 0.050 1 848 89 89 ASN CB C 37.004 0.022 1 849 89 89 ASN N N 115.645 0.074 1 850 89 89 ASN ND2 N 111.713 0.008 1 851 90 90 VAL H H 7.349 0.005 1 852 90 90 VAL HA H 4.738 0.008 1 853 90 90 VAL HB H 1.743 0.009 1 854 90 90 VAL C C 173.605 0.004 1 855 90 90 VAL CA C 58.943 0.037 1 856 90 90 VAL CB C 36.203 0.081 1 857 90 90 VAL CG1 C 19.369 0.061 2 858 90 90 VAL CG2 C 21.507 0.034 2 859 90 90 VAL N N 112.462 0.043 1 860 91 91 LYS H H 8.494 0.005 1 861 91 91 LYS HA H 4.255 0.021 1 862 91 91 LYS HB2 H 1.808 0.012 2 863 91 91 LYS HB3 H 1.739 0.008 2 864 91 91 LYS HD2 H 1.665 0.005 1 865 91 91 LYS HE2 H 2.975 0.002 1 866 91 91 LYS HG2 H 1.417 0.011 2 867 91 91 LYS HG3 H 1.313 0.002 2 868 91 91 LYS C C 176.926 0.050 1 869 91 91 LYS CA C 56.507 0.013 1 870 91 91 LYS CB C 33.173 0.052 1 871 91 91 LYS CD C 29.109 0.023 1 872 91 91 LYS CE C 42.127 0.017 1 873 91 91 LYS CG C 24.718 0.043 1 874 91 91 LYS N N 121.123 0.048 1 875 92 92 LEU H H 10.159 0.004 1 876 92 92 LEU HA H 4.636 0.005 1 877 92 92 LEU HB2 H 1.515 0.008 2 878 92 92 LEU HB3 H 1.794 0.008 2 879 92 92 LEU HG H 1.604 0.007 1 880 92 92 LEU C C 174.204 0.050 1 881 92 92 LEU CA C 54.191 0.023 1 882 92 92 LEU CB C 43.940 0.050 1 883 92 92 LEU CD1 C 27.027 0.067 2 884 92 92 LEU CD2 C 24.258 0.068 2 885 92 92 LEU N N 124.326 0.039 1 886 93 93 ARG H H 7.295 0.004 1 887 93 93 ARG HA H 4.449 0.004 1 888 93 93 ARG HB2 H 1.852 0.005 2 889 93 93 ARG HB3 H 1.736 0.003 2 890 93 93 ARG HD2 H 3.231 0.005 2 891 93 93 ARG HD3 H 3.101 0.001 2 892 93 93 ARG HG2 H 1.717 0.002 2 893 93 93 ARG HG3 H 1.429 0.003 2 894 93 93 ARG C C 175.851 0.050 1 895 93 93 ARG CA C 54.771 0.056 1 896 93 93 ARG CB C 33.443 0.043 1 897 93 93 ARG CD C 43.499 0.011 1 898 93 93 ARG CG C 27.433 0.081 1 899 93 93 ARG N N 116.115 0.049 1 900 94 94 GLY H H 8.544 0.003 1 901 94 94 GLY HA2 H 4.099 0.004 2 902 94 94 GLY HA3 H 3.737 0.007 2 903 94 94 GLY C C 173.472 0.050 1 904 94 94 GLY CA C 44.962 0.031 1 905 94 94 GLY N N 109.139 0.040 1 906 95 95 ALA H H 8.247 0.006 1 907 95 95 ALA HA H 4.225 0.005 1 908 95 95 ALA HB H 1.331 0.005 1 909 95 95 ALA C C 177.719 0.050 1 910 95 95 ALA CA C 52.834 0.106 1 911 95 95 ALA CB C 19.564 0.154 1 912 95 95 ALA N N 122.274 0.030 1 913 96 96 ASN H H 8.592 0.006 1 914 96 96 ASN HA H 4.653 0.004 1 915 96 96 ASN HB2 H 2.786 0.002 2 916 96 96 ASN HB3 H 2.633 0.003 2 917 96 96 ASN HD21 H 6.884 0.002 1 918 96 96 ASN HD22 H 7.556 0.002 1 919 96 96 ASN C C 174.110 0.050 1 920 96 96 ASN CA C 52.747 0.064 1 921 96 96 ASN CB C 38.449 0.037 1 922 96 96 ASN N N 116.823 0.037 1 923 96 96 ASN ND2 N 113.116 0.037 1 924 97 97 ILE H H 7.727 0.007 1 925 97 97 ILE HA H 3.578 0.003 1 926 97 97 ILE HB H 1.696 0.006 1 927 97 97 ILE HD1 H 0.660 0.006 1 928 97 97 ILE HG2 H 0.753 0.004 1 929 97 97 ILE C C 177.969 0.050 1 930 97 97 ILE CA C 62.147 0.006 1 931 97 97 ILE CB C 37.286 0.074 1 932 97 97 ILE CD1 C 12.637 0.063 1 933 97 97 ILE CG1 C 27.814 0.046 1 934 97 97 ILE CG2 C 17.565 0.040 1 935 97 97 ILE N N 119.584 0.037 1 936 98 98 GLY H H 9.185 0.008 1 937 98 98 GLY HA2 H 3.503 0.005 2 938 98 98 GLY HA3 H 4.336 0.006 2 939 98 98 GLY C C 173.435 0.050 1 940 98 98 GLY CA C 44.777 0.034 1 941 98 98 GLY N N 114.857 0.042 1 942 99 99 ALA H H 7.922 0.007 1 943 99 99 ALA HA H 4.576 0.004 1 944 99 99 ALA HB H 1.398 0.003 1 945 99 99 ALA C C 174.391 0.050 1 946 99 99 ALA CA C 50.675 0.050 1 947 99 99 ALA CB C 18.147 0.052 1 948 99 99 ALA N N 124.662 0.046 1 949 100 100 PRO HA H 4.565 0.003 1 950 100 100 PRO HB2 H 2.281 0.003 2 951 100 100 PRO HB3 H 1.768 0.004 2 952 100 100 PRO HD2 H 3.586 0.001 2 953 100 100 PRO HD3 H 3.821 0.002 2 954 100 100 PRO HG2 H 2.014 0.002 1 955 100 100 PRO C C 176.857 0.050 1 956 100 100 PRO CA C 62.842 0.050 1 957 100 100 PRO CB C 31.934 0.037 1 958 100 100 PRO CD C 50.246 0.082 1 959 100 100 PRO CG C 27.773 0.032 1 960 101 101 ARG H H 7.508 0.009 1 961 101 101 ARG HA H 4.067 0.009 1 962 101 101 ARG HB2 H 1.431 0.003 2 963 101 101 ARG HB3 H 1.788 0.004 2 964 101 101 ARG HD2 H 3.052 0.003 2 965 101 101 ARG HD3 H 3.149 0.002 2 966 101 101 ARG HG2 H 1.485 0.004 2 967 101 101 ARG HG3 H 1.446 0.004 2 968 101 101 ARG CA C 57.100 0.055 1 969 101 101 ARG CB C 30.869 0.061 1 970 101 101 ARG CD C 43.529 0.026 1 971 101 101 ARG CG C 27.777 0.041 1 972 101 101 ARG N N 122.262 0.035 1 973 102 102 LEU H H 8.446 0.003 1 974 102 102 LEU HA H 4.442 0.006 1 975 102 102 LEU HB2 H 1.646 0.009 2 976 102 102 LEU HB3 H 1.552 0.010 2 977 102 102 LEU HG H 1.544 0.002 1 978 102 102 LEU C C 177.251 0.050 1 979 102 102 LEU CA C 54.479 0.002 1 980 102 102 LEU CB C 42.796 0.031 1 981 102 102 LEU CD1 C 23.210 0.032 2 982 102 102 LEU CD2 C 25.095 0.038 2 983 102 102 LEU CG C 26.992 0.031 1 984 102 102 LEU N N 122.206 0.039 1 985 103 103 GLY H H 8.198 0.006 1 986 103 103 GLY HA2 H 4.118 0.005 2 987 103 103 GLY HA3 H 3.974 0.004 2 988 103 103 GLY C C 171.476 0.050 1 989 103 103 GLY CA C 44.466 0.022 1 990 103 103 GLY N N 109.932 0.046 1 991 104 104 PRO HA H 4.396 0.011 1 992 104 104 PRO HB2 H 1.886 0.004 2 993 104 104 PRO HB3 H 2.247 0.003 2 994 104 104 PRO HD2 H 3.589 0.004 1 995 104 104 PRO HG2 H 1.989 0.007 1 996 104 104 PRO CA C 63.012 0.065 1 997 104 104 PRO CB C 32.136 0.140 1 998 104 104 PRO CD C 49.834 0.040 1 999 104 104 PRO CG C 27.344 0.073 1 1000 105 105 LYS H H 8.384 0.003 1 1001 105 105 LYS HA H 4.268 0.004 1 1002 105 105 LYS HB2 H 1.739 0.050 2 1003 105 105 LYS HB3 H 1.786 0.050 2 1004 105 105 LYS HE2 H 2.993 0.050 1 1005 105 105 LYS HG2 H 1.430 0.004 1 1006 105 105 LYS C C 176.489 0.000 1 1007 105 105 LYS CA C 56.365 0.002 1 1008 105 105 LYS CB C 33.051 0.112 1 1009 105 105 LYS CG C 24.800 0.050 1 1010 105 105 LYS N N 121.828 0.045 1 1011 106 106 LYS H H 8.333 0.010 1 1012 106 106 LYS HA H 4.276 0.007 1 1013 106 106 LYS HB2 H 1.733 0.003 2 1014 106 106 LYS HB3 H 1.816 0.004 2 1015 106 106 LYS HE2 H 2.979 0.050 1 1016 106 106 LYS HG2 H 1.427 0.050 1 1017 106 106 LYS C C 175.487 0.050 1 1018 106 106 LYS CA C 56.420 0.067 1 1019 106 106 LYS CB C 33.175 0.042 1 1020 106 106 LYS CG C 24.800 0.050 1 1021 106 106 LYS N N 123.973 0.030 1 1022 107 107 LYS H H 7.958 0.008 1 1023 107 107 LYS HA H 4.108 0.002 1 1024 107 107 LYS HB2 H 1.772 0.002 2 1025 107 107 LYS HB3 H 1.683 0.001 2 1026 107 107 LYS HD2 H 1.651 0.001 1 1027 107 107 LYS HE2 H 2.975 0.002 1 1028 107 107 LYS HG2 H 1.376 0.005 1 1029 107 107 LYS C C 181.183 0.050 1 1030 107 107 LYS CA C 57.918 0.050 1 1031 107 107 LYS CB C 33.666 0.089 1 1032 107 107 LYS CD C 29.295 0.090 1 1033 107 107 LYS CE C 42.154 0.038 1 1034 107 107 LYS CG C 24.748 0.012 1 1035 107 107 LYS N N 128.292 0.028 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name MBF1 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 MET N 467.508 80.8686 2 6 GLU N 668.003 15.618 3 7 PHE N 626.174 31.3675 4 8 ALA N 626.566 28.2662 5 9 GLY N 618.812 45.1855 6 10 GLY N 642.674 32.6293 7 11 THR N 677.048 51.3401 8 12 GLU N 588.928 24.9722 9 13 GLY N 558.347 67.6501 10 14 GLN N 613.874 62.5556 11 15 ARG N 585.823 15.7867 12 16 LEU N 568.505 21.3311 13 19 VAL N 609.013 37.4606 14 20 ASP N 563.38 23.17 15 21 ARG N 636.537 59.1562 16 25 ILE N 632.511 18.0032 17 27 LYS N 561.482 9.45787 18 30 THR N 513.084 24.746 19 31 VAL N 492.854 46.8806 20 32 GLY N 464.684 19.6497 21 34 GLU N 491.159 53.0722 22 36 GLY N 562.114 19.9062 23 37 LYS N 540.249 29.4787 24 38 ALA N 566.572 17.3342 25 39 ILE N 544.07 18.9448 26 40 GLU N 601.323 20.249 27 41 GLN N 558.036 12.7676 28 42 GLY N 573.394 16.1103 29 43 ARG N 543.183 18.588 30 44 GLN N 551.572 17.3412 31 45 LYS N 575.374 16.2217 32 46 PHE N 604.23 12.4132 33 47 GLU N 574.383 46.5181 34 49 THR N 582.411 17.2993 35 50 MET N 503.525 15.2122 36 51 THR N 498.256 14.1508 37 52 GLN N 435.54 11.7611 38 54 GLU N 466.2 14.562 39 55 LEU N 471.921 21.8255 40 56 GLY N 475.059 10.8327 41 57 LYS N 534.759 30.0266 42 58 GLU N 473.709 9.42481 43 59 ILE N 502.008 10.5845 44 60 GLY N 527.148 12.5048 45 61 GLU N 570.776 15.9635 46 62 THR N 607.903 19.9555 47 63 ALA N 421.408 34.2738 48 64 ALA N 439.56 18.9349 49 67 ALA N 453.104 18.8879 50 68 SER N 499.002 10.7071 51 72 GLY N 499.5 7.98402 52 73 THR N 504.541 16.0374 53 74 ALA N 523.286 5.47657 54 75 THR N 490.677 19.5019 55 77 ASP N 603.5 24.038 56 79 ASN N 493.827 12.4371 57 80 ILE N 613.874 21.4799 58 81 LEU N 566.251 20.521 59 82 SER N 560.538 18.2238 60 85 GLU N 518.941 23.1598 61 87 VAL N 577.701 17.6881 62 88 LEU N 561.167 20.4691 63 89 ASN N 502.765 19.9691 64 90 VAL N 500 13 65 91 LYS N 495.786 19.1727 66 92 LEU N 490.196 15.8593 67 97 ILE N 518.672 16.9483 68 98 GLY N 411.353 27.0739 69 99 ALA N 515.464 17.5364 70 101 ARG N 583.431 40.5066 71 103 GLY N 698.812 111.341 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type Nx,y _T2_value_units ms _Mol_system_component_name MBF1 _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 MET N 160.514 44.8562 . . 2 6 GLU N 266.241 71.8765 . . 3 7 PHE N 223.664 50.5757 . . 4 8 ALA N 193.573 38.4824 . . 5 9 GLY N 180.31 43.2731 . . 6 10 GLY N 214.225 66.3141 . . 7 11 THR N 216.169 73.0845 . . 8 12 GLU N 205.55 47.8701 . . 9 13 GLY N 148.765 37.7778 . . 10 14 GLN N 175.101 34.7381 . . 11 15 ARG N 135.318 25.4339 . . 12 16 LEU N 201.735 40.0865 . . 13 19 VAL N 208.812 26.8155 . . 14 20 ASP N 172.147 22.6407 . . 15 21 ARG N 179.986 35.0836 . . 16 25 ILE N 248.818 36.8367 . . 17 27 LYS N 187.441 31.4452 . . 18 30 THR N 103.157 9.98152 . . 19 31 VAL N 97.012 9.59015 . . 20 32 GLY N 91.6003 9.45621 . . 21 34 GLU N 95.6846 9.43937 . . 22 36 GLY N 91.9118 10.0951 . . 23 37 LYS N 98.6291 10.5643 . . 24 38 ALA N 98.8338 10.0612 . . 25 39 ILE N 96.1538 10.2903 . . 26 40 GLU N 93.6944 8.4626 . . 27 41 GLN N 97.8378 11.793 . . 28 42 GLY N 95.1203 9.34646 . . 29 43 ARG N 92.7128 9.98816 . . 30 44 GLN N 99.6711 9.73564 . . 31 45 LYS N 110.681 12.0052 . . 32 46 PHE N 114.811 12.641 . . 33 47 GLU N 163.132 32.5998 . . 34 49 THR N 121.007 18.8744 . . 35 50 MET N 115.915 12.8048 . . 36 51 THR N 106.202 12.3166 . . 37 52 GLN N 113.43 11.7599 . . 38 54 GLU N 120.019 13.742 . . 39 55 LEU N 119.332 11.8193 . . 40 56 GLY N 109.818 11.1072 . . 41 57 LYS N 121.418 22.1578 . . 42 58 GLU N 121.966 12.3617 . . 43 59 ILE N 121.566 12.6649 . . 44 60 GLY N 105.652 11.062 . . 45 61 GLU N 106.655 11.4209 . . 46 62 THR N 110.816 11.2608 . . 47 63 ALA N 98.7654 10.7301 . . 48 64 ALA N 94.7867 8.88569 . . 49 67 ALA N 117.178 13.2639 . . 50 68 SER N 106.906 14.789 . . 51 72 GLY N 107.308 9.81072 . . 52 73 THR N 86.2441 7.75044 . . 53 74 ALA N 103.584 10.9442 . . 54 75 THR N 94.8497 9.3923 . . 55 77 ASP N 118.694 13.229 . . 56 79 ASN N 91.6926 8.29824 . . 57 80 ILE N 98.7167 9.46238 . . 58 81 LEU N 88.5034 8.64747 . . 59 82 SER N 104.613 10.2545 . . 60 85 GLU N 92.6355 8.59849 . . 61 87 VAL N 101.833 10.7951 . . 62 88 LEU N 104.943 12.4557 . . 63 89 ASN N 114.705 12.6573 . . 64 90 VAL N 122.534 14.2488 . . 65 91 LYS N 123.609 12.5901 . . 66 92 LEU N 142.369 15.0598 . . 67 97 ILE N 114.273 12.7187 . . 68 98 GLY N 118.892 12.6369 . . 69 99 ALA N 111.944 11.8047 . . 70 101 ARG N 127.665 15.2553 . . 71 103 GLY N 154.464 37.6258 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name MBF1 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1.0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 MET -2.34036 -0.0304729 4 ASP -2.03308 -0.00495322 6 GLU -1.34049 -0.00272635 7 PHE -1.15386 -0.00269727 8 ALA -1.42541 -0.00608696 9 GLY -1.45472 -0.00908466 10 GLY -1.2382 -0.00888131 11 THR -0.94437 -0.00960931 12 GLU -0.841771 -0.00459483 13 GLY -0.775287 -0.00809543 14 GLN -0.696443 -0.00493927 15 ARG -0.65022 -0.00668122 16 LEU -0.64707 -0.00409236 18 LYS -0.14951 -0.00219573 19 VAL -0.802206 -0.00316726 20 ASP -0.745951 -0.00434656 21 ARG -0.198625 -0.00145339 25 ILE -0.402864 -0.00172751 26 ILE -0.346229 -0.00214763 27 LYS -0.529708 -0.00408898 30 THR 0.463709 0.00340056 31 VAL 0.659683 0.00318672 32 GLY 0.681083 0.00305989 34 GLU 0.638387 0.00490168 36 GLY 0.774182 0.00287193 37 LYS 0.698937 0.00242984 38 ALA 0.765697 0.00235667 39 ILE 0.796014 0.00295465 40 GLU 0.794882 0.00279531 41 GLN 0.780009 0.0026153 42 GLY 0.705305 0.0028556 43 ARG 0.722191 0.00264486 43 ARG 0.592499 0.00595521 44 GLN 0.719663 0.00249591 45 LYS 0.700693 0.00226848 46 PHE 0.69487 0.002179 47 GLU 0.609006 0.00207906 49 THR 0.657591 0.00179527 50 MET 0.738737 0.00279937 51 THR 0.78325 0.00288828 52 GLN 0.775739 0.00344258 54 GLU 0.768151 0.00241639 55 LEU 0.777842 0.00252126 56 GLY 0.790341 0.00287927 57 LYS 0.681599 0.00193499 58 GLU 0.724064 0.00214738 59 ILE 0.760013 0.00319757 60 GLY 0.789266 0.00266852 61 GLU 0.752486 0.00280859 62 THR 0.676913 0.00268289 63 ALA 0.776292 0.00670985 64 ALA 0.757504 0.00500809 66 VAL 0.753324 0.00218679 67 ALA 0.752877 0.00204167 68 SER 0.769209 0.00206719 69 TYR 0.828959 0.00270514 70 GLU 0.7407 0.00268646 72 GLY 0.743691 0.00266417 73 THR 0.729575 0.0029071 74 ALA 0.735636 0.00277732 75 THR 0.723576 0.0025974 77 ASP 0.700911 0.00306961 79 ASN 0.700718 0.00299425 80 ILE 0.724587 0.00282643 81 LEU 0.754843 0.00272734 82 SER 0.737863 0.00219624 83 LYS 0.71819 0.00218826 84 MET 0.818469 0.00319738 85 GLU 0.801802 0.00296551 87 VAL 0.702736 0.00268467 88 LEU 0.756307 0.00320531 89 ASN 0.703773 0.00246393 90 VAL 0.732476 0.00245562 91 LYS 0.736763 0.00289141 92 LEU 0.714581 0.00438497 96 ASN 0.506347 0.0124903 97 ILE 0.510193 0.00247864 98 GLY 0.573387 0.00477204 99 ALA 0.520525 0.00230076 101 ARG 0.478128 0.00419746 103 GLY -0.390846 -0.00786181 107 LYS -1.7848 -0.00260604 stop_ save_ save_H_exch_protection_factor_list_1 _Saveframe_category H_exchange_protection_factors _Details . loop_ _Software_label $NMRView stop_ _Sample_label $sample_conditions_1 _Sample_conditions_label $sample_conditions_1 _Standard_values_source_citation_label $entry_citation _Mol_system_component_name MBF1 _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _H_exchange_protection_factor_value _H_exchange_protection_factor_value_error 37 LYS H 3.895 . 38 ALA H 4.329 . 39 ILE H 4.274 . 40 GLU H 4.142 . 41 GLN H 4.436 . 42 GLY H 4.803 . 43 ARG H 4.907 . 44 GLN H 4.783 . 46 PHE H 4.198 . 50 MET H 3.927 . 54 GLU H 3.756 . 55 LEU H 4.299 . 56 GLY H 4.889 . 57 LYS H 5.049 . 58 GLU H 4.468 . 59 ILE H 4.329 . 61 GLU H 4.398 . 66 VAL H 3.973 . 67 ALA H 4.613 . 68 SER H 4.071 . 69 TYR H 4.702 . 70 GLU H 4.368 . 71 ARG H 4.367 . 72 GLY H 4.064 . 81 LEU H 3.204 . 82 SER H 3.892 . 83 LYS H 4.582 . 84 MET H 4.804 . 85 GLU H 4.375 . 86 ARG H 4.229 . 87 VAL H 4.273 . 88 LEU H 4.171 . 90 VAL H 3.779 . 92 LEU H 3.270 . stop_ save_