data_25025 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformational Plasticity Surrounding the Active Site of NADH Oxidase from Thermus thermophilus ; _BMRB_accession_number 25025 _BMRB_flat_file_name bmr25025.str _Entry_type original _Submission_date 2014-06-17 _Accession_date 2014-06-17 _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 Mittermaier Anthony . . 2 Miletti Teresa . . 3 Levros Louis-Charles . Jr. 4 'Di Trani' Justin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 3 T1_relaxation 4 T2_relaxation 4 S2_parameters 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 165 "13C chemical shifts" 464 "15N chemical shifts" 165 "T1 relaxation values" 426 "T2 relaxation values" 426 "order parameters" 216 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-11 original BMRB . stop_ _Original_release_date 2014-06-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational plasticity surrounding the active site of NADH oxidase from Thermus thermophilus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25970557 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miletti Teresa . . 2 'Di Trani' Justin . . 3 Levros Louis-Charles C. Jr 4 Mittermaier Anthony . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 24 _Journal_issue 7 _Journal_ISSN 1469-896X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1114 _Page_last 1128 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NOX _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NOX, 1' $NOX 'NOX, 2' $NOX stop_ _System_molecular_weight 52000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function unknown stop_ _Database_query_date . _Details homodimer save_ ######################## # Monomeric polymers # ######################## save_NOX _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NOX _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 205 _Mol_residue_sequence ; MEATLPVLDAKTAALKRRSI RRYRKDPVPEGLLREILEAA LRAPSAWNLQPWRIVVVRDP ATKRALREAAFGQAHVEEAP VVLVLYADLEDALAHLDEVI HPGVQGERREAQKQAIQRAF AAMGQEARKAWASGQSYILL GYLLLLLEAYGLGSVPMLGF DPERVRAILGLPSRAAIPAL VALGYPAEEGYPSHRLPLER VVLWR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ALA 4 THR 5 LEU 6 PRO 7 VAL 8 LEU 9 ASP 10 ALA 11 LYS 12 THR 13 ALA 14 ALA 15 LEU 16 LYS 17 ARG 18 ARG 19 SER 20 ILE 21 ARG 22 ARG 23 TYR 24 ARG 25 LYS 26 ASP 27 PRO 28 VAL 29 PRO 30 GLU 31 GLY 32 LEU 33 LEU 34 ARG 35 GLU 36 ILE 37 LEU 38 GLU 39 ALA 40 ALA 41 LEU 42 ARG 43 ALA 44 PRO 45 SER 46 ALA 47 TRP 48 ASN 49 LEU 50 GLN 51 PRO 52 TRP 53 ARG 54 ILE 55 VAL 56 VAL 57 VAL 58 ARG 59 ASP 60 PRO 61 ALA 62 THR 63 LYS 64 ARG 65 ALA 66 LEU 67 ARG 68 GLU 69 ALA 70 ALA 71 PHE 72 GLY 73 GLN 74 ALA 75 HIS 76 VAL 77 GLU 78 GLU 79 ALA 80 PRO 81 VAL 82 VAL 83 LEU 84 VAL 85 LEU 86 TYR 87 ALA 88 ASP 89 LEU 90 GLU 91 ASP 92 ALA 93 LEU 94 ALA 95 HIS 96 LEU 97 ASP 98 GLU 99 VAL 100 ILE 101 HIS 102 PRO 103 GLY 104 VAL 105 GLN 106 GLY 107 GLU 108 ARG 109 ARG 110 GLU 111 ALA 112 GLN 113 LYS 114 GLN 115 ALA 116 ILE 117 GLN 118 ARG 119 ALA 120 PHE 121 ALA 122 ALA 123 MET 124 GLY 125 GLN 126 GLU 127 ALA 128 ARG 129 LYS 130 ALA 131 TRP 132 ALA 133 SER 134 GLY 135 GLN 136 SER 137 TYR 138 ILE 139 LEU 140 LEU 141 GLY 142 TYR 143 LEU 144 LEU 145 LEU 146 LEU 147 LEU 148 GLU 149 ALA 150 TYR 151 GLY 152 LEU 153 GLY 154 SER 155 VAL 156 PRO 157 MET 158 LEU 159 GLY 160 PHE 161 ASP 162 PRO 163 GLU 164 ARG 165 VAL 166 ARG 167 ALA 168 ILE 169 LEU 170 GLY 171 LEU 172 PRO 173 SER 174 ARG 175 ALA 176 ALA 177 ILE 178 PRO 179 ALA 180 LEU 181 VAL 182 ALA 183 LEU 184 GLY 185 TYR 186 PRO 187 ALA 188 GLU 189 GLU 190 GLY 191 TYR 192 PRO 193 SER 194 HIS 195 ARG 196 LEU 197 PRO 198 LEU 199 GLU 200 ARG 201 VAL 202 VAL 203 LEU 204 TRP 205 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NOX Bacteria 274 Bacteria . Thermus thermophilus 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 $NOX 'recombinant technology' 'E. coli' Escherichia coli DH5alpha pTNADOX stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_no_urea _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NOX 1 mM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N13C_no_urea _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NOX 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N_urea _Saveframe_category sample _Sample_type solution _Details '1.2 M urea' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NOX 1 mM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N13C_no_urea save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N13C_no_urea save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N13C_no_urea save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $15N13C_no_urea save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $15N13C_no_urea save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N13C_no_urea save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N13C_no_urea save_ save_{1H}NOE_8 _Saveframe_category NMR_applied_experiment _Experiment_name {1H}NOE _Sample_label $15N_no_urea save_ save_R1rho_9 _Saveframe_category NMR_applied_experiment _Experiment_name R1rho _Sample_label $15N_no_urea save_ save_R1_10 _Saveframe_category NMR_applied_experiment _Experiment_name R1 _Sample_label $15N_no_urea save_ save_{1H}NOE_11 _Saveframe_category NMR_applied_experiment _Experiment_name {1H}NOE _Sample_label $15N_no_urea save_ save_R1rho_12 _Saveframe_category NMR_applied_experiment _Experiment_name R1rho _Sample_label $15N_no_urea save_ save_R1_13 _Saveframe_category NMR_applied_experiment _Experiment_name R1 _Sample_label $15N_no_urea save_ save_R1rho_14 _Saveframe_category NMR_applied_experiment _Experiment_name R1rho _Sample_label $15N_urea save_ save_R1_15 _Saveframe_category NMR_applied_experiment _Experiment_name R1 _Sample_label $15N_urea save_ save_{1H}NOE_16 _Saveframe_category NMR_applied_experiment _Experiment_name {1H}NOE _Sample_label $15N_urea save_ save_R1rho_17 _Saveframe_category NMR_applied_experiment _Experiment_name R1rho _Sample_label $15N_urea save_ save_R1_18 _Saveframe_category NMR_applied_experiment _Experiment_name R1 _Sample_label $15N_urea 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 7.2 . pH pressure 1 . atm temperature 323 . 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 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.2514 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0000 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.1013 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 $NMRPipe stop_ loop_ _Experiment_label '3D HNCACB' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HCACO' '3D CBCA(CO)NH' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $15N13C_no_urea stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NOX, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 ALA H H 8.50 . . 2 3 3 ALA CA C 56.70 . . 3 3 3 ALA CB C 19.50 . . 4 3 3 ALA N N 125.05 . . 5 4 4 THR H H 8.23 . . 6 4 4 THR C C 174.09 . . 7 4 4 THR CA C 61.90 . . 8 4 4 THR CB C 70.20 . . 9 4 4 THR N N 114.25 . . 10 5 5 LEU H H 8.37 . . 11 5 5 LEU C C 174.91 . . 12 5 5 LEU CA C 53.30 . . 13 5 5 LEU CB C 42.50 . . 14 5 5 LEU N N 126.30 . . 15 7 7 VAL H H 7.87 . . 16 7 7 VAL CA C 61.70 . . 17 7 7 VAL CB C 33.30 . . 18 7 7 VAL N N 121.70 . . 19 8 8 LEU H H 8.35 . . 20 8 8 LEU C C 176.98 . . 21 8 8 LEU CA C 55.60 . . 22 8 8 LEU CB C 44.30 . . 23 8 8 LEU N N 124.11 . . 24 9 9 ASP H H 8.13 . . 25 9 9 ASP C C 175.70 . . 26 9 9 ASP CA C 54.30 . . 27 9 9 ASP CB C 41.60 . . 28 9 9 ASP N N 117.43 . . 29 10 10 ALA H H 8.10 . . 30 10 10 ALA C C 177.06 . . 31 10 10 ALA CA C 55.80 . . 32 10 10 ALA CB C 19.50 . . 33 10 10 ALA N N 119.77 . . 34 11 11 LYS H H 7.56 . . 35 11 11 LYS C C 177.21 . . 36 11 11 LYS CA C 60.50 . . 37 11 11 LYS CB C 32.20 . . 38 11 11 LYS N N 116.14 . . 39 12 12 THR H H 9.15 . . 40 12 12 THR C C 176.37 . . 41 12 12 THR CA C 67.50 . . 42 12 12 THR N N 119.00 . . 43 13 13 ALA H H 8.05 . . 44 13 13 ALA C C 177.42 . . 45 13 13 ALA CA C 55.60 . . 46 13 13 ALA CB C 18.20 . . 47 13 13 ALA N N 120.13 . . 48 14 14 ALA H H 7.72 . . 49 14 14 ALA C C 180.31 . . 50 14 14 ALA CA C 55.50 . . 51 14 14 ALA CB C 18.40 . . 52 14 14 ALA N N 118.66 . . 53 15 15 LEU H H 8.48 . . 54 15 15 LEU C C 178.74 . . 55 15 15 LEU CA C 58.00 . . 56 15 15 LEU CB C 42.50 . . 57 15 15 LEU N N 115.56 . . 58 16 16 LYS H H 8.53 . . 59 16 16 LYS C C 177.61 . . 60 16 16 LYS CA C 57.90 . . 61 16 16 LYS CB C 34.00 . . 62 16 16 LYS N N 118.05 . . 63 17 17 ARG H H 7.38 . . 64 17 17 ARG C C 176.47 . . 65 17 17 ARG CA C 59.50 . . 66 17 17 ARG CB C 28.60 . . 67 17 17 ARG N N 119.09 . . 68 18 18 ARG H H 8.38 . . 69 18 18 ARG C C 175.99 . . 70 18 18 ARG CA C 55.40 . . 71 18 18 ARG CB C 32.30 . . 72 18 18 ARG N N 126.84 . . 73 19 19 SER H H 12.04 . . 74 19 19 SER C C 172.92 . . 75 19 19 SER CA C 64.70 . . 76 19 19 SER CB C 62.40 . . 77 19 19 SER N N 124.27 . . 78 20 20 ILE H H 8.23 . . 79 20 20 ILE C C 175.66 . . 80 20 20 ILE CA C 57.60 . . 81 20 20 ILE CB C 39.20 . . 82 20 20 ILE N N 124.43 . . 83 21 21 ARG H H 9.44 . . 84 21 21 ARG C C 173.41 . . 85 21 21 ARG CA C 55.30 . . 86 21 21 ARG CB C 31.50 . . 87 21 21 ARG N N 125.26 . . 88 22 22 ARG H H 6.63 . . 89 22 22 ARG C C 174.46 . . 90 22 22 ARG CA C 56.10 . . 91 22 22 ARG CB C 33.10 . . 92 22 22 ARG N N 117.55 . . 93 23 23 TYR H H 9.06 . . 94 23 23 TYR C C 176.73 . . 95 23 23 TYR CA C 54.90 . . 96 23 23 TYR CB C 32.90 . . 97 23 23 TYR N N 122.49 . . 98 24 24 ARG H H 8.82 . . 99 24 24 ARG C C 177.77 . . 100 24 24 ARG CA C 56.40 . . 101 24 24 ARG CB C 32.20 . . 102 24 24 ARG N N 120.17 . . 103 26 26 ASP CA C 50.70 . . 104 26 26 ASP CB C 39.00 . . 105 28 28 VAL H H 8.21 . . 106 28 28 VAL CA C 59.70 . . 107 28 28 VAL CB C 33.30 . . 108 28 28 VAL N N 121.21 . . 109 32 32 LEU H H 7.06 . . 110 32 32 LEU C C 177.75 . . 111 32 32 LEU CA C 57.40 . . 112 32 32 LEU CB C 42.80 . . 113 32 32 LEU N N 123.14 . . 114 33 33 LEU H H 7.83 . . 115 33 33 LEU C C 178.41 . . 116 33 33 LEU CA C 58.10 . . 117 33 33 LEU CB C 42.50 . . 118 33 33 LEU N N 117.52 . . 119 34 34 ARG H H 8.90 . . 120 34 34 ARG C C 177.00 . . 121 34 34 ARG CA C 61.40 . . 122 34 34 ARG CB C 30.40 . . 123 34 34 ARG N N 116.96 . . 124 35 35 GLU H H 7.61 . . 125 35 35 GLU C C 178.74 . . 126 35 35 GLU CA C 60.00 . . 127 35 35 GLU CB C 30.20 . . 128 35 35 GLU N N 119.61 . . 129 36 36 ILE H H 8.00 . . 130 36 36 ILE C C 177.77 . . 131 36 36 ILE CA C 66.00 . . 132 36 36 ILE CB C 38.70 . . 133 36 36 ILE N N 119.41 . . 134 37 37 LEU H H 8.66 . . 135 37 37 LEU C C 177.79 . . 136 37 37 LEU CA C 58.20 . . 137 37 37 LEU CB C 41.60 . . 138 37 37 LEU N N 117.72 . . 139 38 38 GLU H H 8.69 . . 140 38 38 GLU C C 178.44 . . 141 38 38 GLU CA C 60.70 . . 142 38 38 GLU CB C 30.20 . . 143 38 38 GLU N N 117.72 . . 144 39 39 ALA H H 7.52 . . 145 39 39 ALA C C 178.58 . . 146 39 39 ALA CA C 54.90 . . 147 39 39 ALA CB C 18.30 . . 148 39 39 ALA N N 119.06 . . 149 40 40 ALA H H 8.64 . . 150 40 40 ALA C C 177.61 . . 151 40 40 ALA CA C 55.30 . . 152 40 40 ALA CB C 17.90 . . 153 40 40 ALA N N 121.12 . . 154 41 41 LEU H H 8.26 . . 155 41 41 LEU C C 177.30 . . 156 41 41 LEU CA C 56.40 . . 157 41 41 LEU CB C 41.10 . . 158 41 41 LEU N N 114.25 . . 159 42 42 ARG H H 7.47 . . 160 42 42 ARG C C 176.81 . . 161 42 42 ARG CA C 55.00 . . 162 42 42 ARG CB C 28.00 . . 163 42 42 ARG N N 113.46 . . 164 43 43 ALA H H 8.28 . . 165 43 43 ALA C C 175.15 . . 166 43 43 ALA CA C 51.80 . . 167 43 43 ALA CB C 15.80 . . 168 43 43 ALA N N 129.86 . . 169 45 45 SER H H 7.21 . . 170 45 45 SER C C 174.24 . . 171 45 45 SER CA C 56.40 . . 172 45 45 SER CB C 66.60 . . 173 45 45 SER N N 105.49 . . 174 46 46 ALA H H 8.45 . . 175 46 46 ALA CA C 53.80 . . 176 46 46 ALA CB C 19.30 . . 177 46 46 ALA N N 125.98 . . 178 47 47 TRP HE1 H 9.74 . . 179 47 47 TRP NE1 N 127.05 . . 180 48 48 ASN H H 8.94 . . 181 48 48 ASN C C 176.85 . . 182 48 48 ASN CA C 54.10 . . 183 48 48 ASN CB C 40.50 . . 184 48 48 ASN N N 116.13 . . 185 49 49 LEU H H 7.74 . . 186 49 49 LEU C C 175.85 . . 187 49 49 LEU CA C 58.00 . . 188 49 49 LEU CB C 43.90 . . 189 49 49 LEU N N 117.00 . . 190 50 50 GLN H H 8.24 . . 191 50 50 GLN C C 171.50 . . 192 50 50 GLN CA C 54.60 . . 193 50 50 GLN CB C 30.60 . . 194 50 50 GLN N N 105.66 . . 195 52 52 TRP H H 6.47 . . 196 52 52 TRP C C 175.30 . . 197 52 52 TRP CA C 53.00 . . 198 52 52 TRP CB C 29.70 . . 199 52 52 TRP N N 117.77 . . 200 53 53 ARG H H 9.02 . . 201 53 53 ARG C C 174.20 . . 202 53 53 ARG CA C 53.70 . . 203 53 53 ARG CB C 32.40 . . 204 53 53 ARG N N 122.00 . . 205 54 54 ILE H H 8.65 . . 206 54 54 ILE C C 175.34 . . 207 54 54 ILE CA C 59.40 . . 208 54 54 ILE CB C 43.30 . . 209 54 54 ILE N N 118.92 . . 210 55 55 VAL H H 9.22 . . 211 55 55 VAL C C 175.43 . . 212 55 55 VAL CA C 60.70 . . 213 55 55 VAL CB C 33.70 . . 214 55 55 VAL N N 125.69 . . 215 56 56 VAL H H 9.14 . . 216 56 56 VAL C C 174.12 . . 217 56 56 VAL CA C 61.90 . . 218 56 56 VAL CB C 31.70 . . 219 56 56 VAL N N 129.21 . . 220 57 57 VAL H H 9.29 . . 221 57 57 VAL C C 175.08 . . 222 57 57 VAL CA C 62.50 . . 223 57 57 VAL CB C 31.80 . . 224 57 57 VAL N N 128.50 . . 225 58 58 ARG H H 9.51 . . 226 58 58 ARG C C 176.52 . . 227 58 58 ARG CA C 56.00 . . 228 58 58 ARG CB C 33.20 . . 229 58 58 ARG N N 125.27 . . 230 59 59 ASP H H 8.48 . . 231 59 59 ASP CA C 53.10 . . 232 59 59 ASP CB C 43.40 . . 233 59 59 ASP N N 123.74 . . 234 62 62 THR H H 8.28 . . 235 62 62 THR C C 176.67 . . 236 62 62 THR CA C 66.50 . . 237 62 62 THR N N 118.32 . . 238 63 63 LYS H H 8.46 . . 239 63 63 LYS C C 178.05 . . 240 63 63 LYS CA C 62.10 . . 241 63 63 LYS CB C 31.80 . . 242 63 63 LYS N N 121.54 . . 243 64 64 ARG H H 8.17 . . 244 64 64 ARG C C 176.56 . . 245 64 64 ARG CA C 60.40 . . 246 64 64 ARG CB C 30.00 . . 247 64 64 ARG N N 119.22 . . 248 65 65 ALA H H 7.69 . . 249 65 65 ALA C C 181.14 . . 250 65 65 ALA CA C 55.30 . . 251 65 65 ALA CB C 18.20 . . 252 65 65 ALA N N 122.61 . . 253 66 66 LEU H H 8.70 . . 254 66 66 LEU C C 177.56 . . 255 66 66 LEU CA C 57.40 . . 256 66 66 LEU CB C 41.80 . . 257 66 66 LEU N N 118.94 . . 258 67 67 ARG H H 8.43 . . 259 67 67 ARG C C 178.50 . . 260 67 67 ARG CA C 60.10 . . 261 67 67 ARG CB C 29.20 . . 262 67 67 ARG N N 121.95 . . 263 68 68 GLU H H 7.54 . . 264 68 68 GLU C C 179.45 . . 265 68 68 GLU CA C 59.40 . . 266 68 68 GLU CB C 29.40 . . 267 68 68 GLU N N 119.06 . . 268 69 69 ALA H H 7.81 . . 269 69 69 ALA C C 176.19 . . 270 69 69 ALA CA C 54.20 . . 271 69 69 ALA CB C 18.80 . . 272 69 69 ALA N N 121.38 . . 273 70 70 ALA H H 7.98 . . 274 70 70 ALA C C 176.71 . . 275 70 70 ALA CA C 51.10 . . 276 70 70 ALA CB C 18.20 . . 277 70 70 ALA N N 121.56 . . 278 71 71 PHE H H 7.56 . . 279 71 71 PHE C C 176.10 . . 280 71 71 PHE CA C 58.60 . . 281 71 71 PHE CB C 35.90 . . 282 71 71 PHE N N 112.62 . . 283 72 72 GLY H H 8.72 . . 284 72 72 GLY C C 175.82 . . 285 72 72 GLY CA C 46.20 . . 286 72 72 GLY N N 104.48 . . 287 73 73 GLN H H 7.31 . . 288 73 73 GLN C C 177.27 . . 289 73 73 GLN CA C 58.00 . . 290 73 73 GLN CB C 29.90 . . 291 73 73 GLN N N 120.03 . . 292 74 74 ALA H H 8.84 . . 293 74 74 ALA C C 179.27 . . 294 74 74 ALA CA C 56.10 . . 295 74 74 ALA CB C 19.00 . . 296 74 74 ALA N N 129.11 . . 297 75 75 HIS H H 7.80 . . 298 75 75 HIS C C 175.66 . . 299 75 75 HIS CA C 57.70 . . 300 75 75 HIS CB C 29.80 . . 301 75 75 HIS N N 112.66 . . 302 76 76 VAL H H 6.98 . . 303 76 76 VAL C C 173.15 . . 304 76 76 VAL CA C 65.80 . . 305 76 76 VAL CB C 32.40 . . 306 76 76 VAL N N 117.11 . . 307 77 77 GLU H H 6.86 . . 308 77 77 GLU C C 176.98 . . 309 77 77 GLU CA C 57.80 . . 310 77 77 GLU CB C 32.50 . . 311 77 77 GLU N N 112.50 . . 312 78 78 GLU H H 7.93 . . 313 78 78 GLU C C 177.30 . . 314 78 78 GLU CA C 58.10 . . 315 78 78 GLU CB C 31.90 . . 316 78 78 GLU N N 116.13 . . 317 79 79 ALA H H 7.59 . . 318 79 79 ALA C C 175.92 . . 319 79 79 ALA CA C 50.80 . . 320 79 79 ALA CB C 18.10 . . 321 79 79 ALA N N 121.54 . . 322 81 81 VAL H H 7.20 . . 323 81 81 VAL C C 172.98 . . 324 81 81 VAL CA C 60.10 . . 325 81 81 VAL CB C 36.30 . . 326 81 81 VAL N N 115.79 . . 327 82 82 VAL H H 8.67 . . 328 82 82 VAL C C 174.71 . . 329 82 82 VAL CA C 60.60 . . 330 82 82 VAL CB C 35.50 . . 331 82 82 VAL N N 124.41 . . 332 83 83 LEU CA C 52.60 . . 333 83 83 LEU CB C 43.30 . . 334 84 84 VAL H H 9.49 . . 335 84 84 VAL C C 173.59 . . 336 84 84 VAL CA C 62.40 . . 337 84 84 VAL CB C 32.40 . . 338 84 84 VAL N N 124.75 . . 339 85 85 LEU H H 8.43 . . 340 85 85 LEU CA C 54.10 . . 341 85 85 LEU CB C 43.60 . . 342 85 85 LEU N N 131.02 . . 343 86 86 TYR H H 9.50 . . 344 86 86 TYR C C 171.43 . . 345 86 86 TYR CA C 54.90 . . 346 86 86 TYR CB C 41.90 . . 347 86 86 TYR N N 121.51 . . 348 87 87 ALA H H 9.17 . . 349 87 87 ALA C C 176.32 . . 350 87 87 ALA CA C 50.70 . . 351 87 87 ALA CB C 22.20 . . 352 87 87 ALA N N 121.68 . . 353 88 88 ASP H H 8.74 . . 354 88 88 ASP C C 174.69 . . 355 88 88 ASP CA C 51.90 . . 356 88 88 ASP CB C 42.40 . . 357 88 88 ASP N N 124.01 . . 358 89 89 LEU H H 9.31 . . 359 89 89 LEU C C 177.07 . . 360 89 89 LEU CA C 56.80 . . 361 89 89 LEU CB C 42.80 . . 362 89 89 LEU N N 123.71 . . 363 90 90 GLU H H 7.92 . . 364 90 90 GLU C C 179.95 . . 365 90 90 GLU CA C 59.10 . . 366 90 90 GLU CB C 28.40 . . 367 90 90 GLU N N 115.52 . . 368 91 91 ASP H H 8.34 . . 369 91 91 ASP C C 178.10 . . 370 91 91 ASP CA C 57.70 . . 371 91 91 ASP CB C 43.40 . . 372 91 91 ASP N N 121.04 . . 373 92 92 ALA H H 7.51 . . 374 92 92 ALA C C 180.24 . . 375 92 92 ALA CA C 55.10 . . 376 92 92 ALA CB C 18.70 . . 377 92 92 ALA N N 121.32 . . 378 93 93 LEU H H 8.40 . . 379 93 93 LEU C C 178.66 . . 380 93 93 LEU CA C 57.00 . . 381 93 93 LEU CB C 41.70 . . 382 93 93 LEU N N 114.91 . . 383 94 94 ALA H H 7.73 . . 384 94 94 ALA C C 177.50 . . 385 94 94 ALA CA C 53.10 . . 386 94 94 ALA CB C 18.70 . . 387 94 94 ALA N N 120.07 . . 388 95 95 HIS H H 7.53 . . 389 95 95 HIS C C 176.25 . . 390 95 95 HIS CA C 55.50 . . 391 95 95 HIS CB C 28.80 . . 392 95 95 HIS N N 117.53 . . 393 96 96 LEU H H 7.77 . . 394 96 96 LEU CA C 58.10 . . 395 96 96 LEU CB C 42.90 . . 396 96 96 LEU N N 120.90 . . 397 98 98 GLU H H 7.91 . . 398 98 98 GLU C C 178.11 . . 399 98 98 GLU CA C 58.10 . . 400 98 98 GLU CB C 31.50 . . 401 98 98 GLU N N 114.13 . . 402 99 99 VAL H H 7.60 . . 403 99 99 VAL C C 176.30 . . 404 99 99 VAL CA C 62.00 . . 405 99 99 VAL CB C 31.90 . . 406 99 99 VAL N N 109.78 . . 407 100 100 ILE H H 7.20 . . 408 100 100 ILE C C 175.88 . . 409 100 100 ILE CA C 61.40 . . 410 100 100 ILE CB C 38.00 . . 411 100 100 ILE N N 123.83 . . 412 103 103 GLY H H 10.97 . . 413 103 103 GLY CA C 45.50 . . 414 103 103 GLY N N 110.38 . . 415 104 104 VAL H H 8.37 . . 416 104 104 VAL C C 174.86 . . 417 104 104 VAL CA C 62.70 . . 418 104 104 VAL CB C 31.10 . . 419 104 104 VAL N N 124.03 . . 420 105 105 GLN H H 8.74 . . 421 105 105 GLN C C 176.43 . . 422 105 105 GLN CA C 54.50 . . 423 105 105 GLN CB C 33.30 . . 424 105 105 GLN N N 126.26 . . 425 109 109 ARG H H 7.20 . . 426 109 109 ARG C C 177.23 . . 427 109 109 ARG CA C 59.40 . . 428 109 109 ARG CB C 30.40 . . 429 109 109 ARG N N 121.11 . . 430 110 110 GLU H H 7.78 . . 431 110 110 GLU C C 178.74 . . 432 110 110 GLU CA C 59.30 . . 433 110 110 GLU CB C 29.30 . . 434 110 110 GLU N N 118.57 . . 435 111 111 ALA H H 8.45 . . 436 111 111 ALA C C 180.89 . . 437 111 111 ALA CA C 55.20 . . 438 111 111 ALA CB C 18.40 . . 439 111 111 ALA N N 121.19 . . 440 112 112 GLN H H 7.97 . . 441 112 112 GLN C C 177.97 . . 442 112 112 GLN CA C 59.50 . . 443 112 112 GLN CB C 28.40 . . 444 112 112 GLN N N 119.52 . . 445 113 113 LYS H H 8.03 . . 446 113 113 LYS C C 178.20 . . 447 113 113 LYS CA C 61.10 . . 448 113 113 LYS CB C 32.50 . . 449 113 113 LYS N N 118.11 . . 450 114 114 GLN H H 8.15 . . 451 114 114 GLN C C 178.15 . . 452 114 114 GLN CA C 58.90 . . 453 114 114 GLN CB C 28.60 . . 454 114 114 GLN N N 116.70 . . 455 115 115 ALA H H 7.97 . . 456 115 115 ALA C C 179.99 . . 457 115 115 ALA CA C 55.30 . . 458 115 115 ALA CB C 18.20 . . 459 115 115 ALA N N 122.38 . . 460 116 116 ILE H H 7.72 . . 461 116 116 ILE CA C 65.20 . . 462 116 116 ILE CB C 37.90 . . 463 116 116 ILE N N 119.43 . . 464 117 117 GLN H H 8.04 . . 465 117 117 GLN C C 180.02 . . 466 117 117 GLN CA C 59.80 . . 467 117 117 GLN CB C 28.30 . . 468 117 117 GLN N N 116.28 . . 469 118 118 ARG H H 8.37 . . 470 118 118 ARG C C 178.38 . . 471 118 118 ARG CA C 59.50 . . 472 118 118 ARG CB C 30.50 . . 473 118 118 ARG N N 118.33 . . 474 119 119 ALA H H 7.52 . . 475 119 119 ALA C C 179.40 . . 476 119 119 ALA CA C 54.70 . . 477 119 119 ALA CB C 17.90 . . 478 119 119 ALA N N 121.58 . . 479 120 120 PHE H H 7.22 . . 480 120 120 PHE C C 177.64 . . 481 120 120 PHE CA C 59.90 . . 482 120 120 PHE CB C 40.20 . . 483 120 120 PHE N N 112.29 . . 484 121 121 ALA H H 7.90 . . 485 121 121 ALA C C 178.12 . . 486 121 121 ALA CA C 55.60 . . 487 121 121 ALA CB C 18.80 . . 488 121 121 ALA N N 124.95 . . 489 123 123 MET H H 7.65 . . 490 123 123 MET CA C 56.40 . . 491 123 123 MET CB C 35.90 . . 492 123 123 MET N N 119.95 . . 493 128 128 ARG H H 8.95 . . 494 128 128 ARG C C 178.39 . . 495 128 128 ARG CA C 60.90 . . 496 128 128 ARG CB C 31.50 . . 497 128 128 ARG N N 120.81 . . 498 129 129 LYS H H 8.33 . . 499 129 129 LYS C C 180.02 . . 500 129 129 LYS CA C 60.70 . . 501 129 129 LYS CB C 33.20 . . 502 129 129 LYS N N 119.32 . . 503 130 130 ALA H H 8.43 . . 504 130 130 ALA C C 180.58 . . 505 130 130 ALA CA C 55.50 . . 506 130 130 ALA CB C 18.80 . . 507 130 130 ALA N N 123.26 . . 508 131 131 TRP H H 9.16 . . 509 131 131 TRP HE1 H 10.18 . . 510 131 131 TRP C C 180.21 . . 511 131 131 TRP CA C 62.90 . . 512 131 131 TRP CB C 30.70 . . 513 131 131 TRP N N 122.59 . . 514 131 131 TRP NE1 N 129.47 . . 515 132 132 ALA H H 9.34 . . 516 132 132 ALA C C 180.28 . . 517 132 132 ALA CA C 55.80 . . 518 132 132 ALA CB C 20.00 . . 519 132 132 ALA N N 121.61 . . 520 133 133 SER H H 8.83 . . 521 133 133 SER CA C 63.00 . . 522 133 133 SER N N 116.78 . . 523 134 134 GLY H H 8.33 . . 524 134 134 GLY C C 174.76 . . 525 134 134 GLY CA C 49.00 . . 526 134 134 GLY N N 107.70 . . 527 135 135 GLN H H 7.21 . . 528 135 135 GLN C C 178.56 . . 529 135 135 GLN CA C 57.60 . . 530 135 135 GLN CB C 28.40 . . 531 135 135 GLN N N 113.79 . . 532 136 136 SER H H 7.75 . . 533 136 136 SER C C 174.86 . . 534 136 136 SER CA C 62.80 . . 535 136 136 SER N N 112.65 . . 536 137 137 TYR H H 8.13 . . 537 137 137 TYR C C 177.33 . . 538 137 137 TYR CA C 61.90 . . 539 137 137 TYR CB C 38.40 . . 540 137 137 TYR N N 121.92 . . 541 138 138 ILE H H 7.80 . . 542 138 138 ILE C C 178.78 . . 543 138 138 ILE CA C 66.00 . . 544 138 138 ILE CB C 37.90 . . 545 138 138 ILE N N 121.38 . . 546 139 139 LEU H H 6.16 . . 547 139 139 LEU C C 178.65 . . 548 139 139 LEU CA C 58.50 . . 549 139 139 LEU CB C 39.70 . . 550 139 139 LEU N N 118.83 . . 551 140 140 LEU H H 8.27 . . 552 140 140 LEU C C 177.61 . . 553 140 140 LEU CA C 58.60 . . 554 140 140 LEU CB C 41.30 . . 555 140 140 LEU N N 118.32 . . 556 141 141 GLY H H 8.68 . . 557 141 141 GLY C C 174.09 . . 558 141 141 GLY CA C 49.30 . . 559 141 141 GLY N N 106.39 . . 560 142 142 TYR H H 8.13 . . 561 142 142 TYR C C 177.94 . . 562 142 142 TYR CA C 62.90 . . 563 142 142 TYR CB C 40.30 . . 564 142 142 TYR N N 121.61 . . 565 143 143 LEU H H 9.15 . . 566 143 143 LEU C C 177.91 . . 567 143 143 LEU CA C 58.40 . . 568 143 143 LEU CB C 43.20 . . 569 143 143 LEU N N 116.10 . . 570 144 144 LEU H H 9.05 . . 571 144 144 LEU C C 180.08 . . 572 144 144 LEU CA C 58.20 . . 573 144 144 LEU CB C 41.50 . . 574 144 144 LEU N N 116.11 . . 575 145 145 LEU H H 7.72 . . 576 145 145 LEU C C 178.98 . . 577 145 145 LEU CA C 59.20 . . 578 145 145 LEU CB C 42.00 . . 579 145 145 LEU N N 122.01 . . 580 146 146 LEU H H 8.63 . . 581 146 146 LEU C C 178.69 . . 582 146 146 LEU CA C 59.00 . . 583 146 146 LEU CB C 42.80 . . 584 146 146 LEU N N 119.31 . . 585 147 147 LEU H H 8.90 . . 586 147 147 LEU C C 178.35 . . 587 147 147 LEU CA C 59.20 . . 588 147 147 LEU CB C 41.70 . . 589 147 147 LEU N N 117.35 . . 590 148 148 GLU H H 7.17 . . 591 148 148 GLU C C 179.69 . . 592 148 148 GLU CA C 59.40 . . 593 148 148 GLU CB C 28.90 . . 594 148 148 GLU N N 117.51 . . 595 149 149 ALA H H 8.58 . . 596 149 149 ALA C C 178.17 . . 597 149 149 ALA CA C 54.90 . . 598 149 149 ALA CB C 18.70 . . 599 149 149 ALA N N 122.01 . . 600 150 150 TYR H H 8.13 . . 601 150 150 TYR C C 175.73 . . 602 150 150 TYR CA C 59.20 . . 603 150 150 TYR CB C 40.30 . . 604 150 150 TYR N N 116.70 . . 605 151 151 GLY H H 8.30 . . 606 151 151 GLY C C 174.32 . . 607 151 151 GLY CA C 46.50 . . 608 151 151 GLY N N 108.44 . . 609 152 152 LEU H H 8.22 . . 610 152 152 LEU C C 177.92 . . 611 152 152 LEU CA C 53.70 . . 612 152 152 LEU CB C 43.80 . . 613 152 152 LEU N N 119.37 . . 614 153 153 GLY H H 9.18 . . 615 153 153 GLY C C 109.13 . . 616 153 153 GLY CA C 44.70 . . 617 153 153 GLY N N 109.13 . . 618 154 154 SER H H 10.35 . . 619 154 154 SER C C 175.11 . . 620 154 154 SER CA C 58.30 . . 621 154 154 SER CB C 69.70 . . 622 154 154 SER N N 116.36 . . 623 155 155 VAL H H 8.61 . . 624 155 155 VAL C C 172.56 . . 625 155 155 VAL CA C 57.70 . . 626 155 155 VAL CB C 34.80 . . 627 155 155 VAL N N 114.11 . . 628 158 158 LEU H H 7.84 . . 629 158 158 LEU CA C 53.00 . . 630 158 158 LEU CB C 41.10 . . 631 158 158 LEU N N 118.30 . . 632 159 159 GLY H H 8.62 . . 633 159 159 GLY N N 109.56 . . 634 160 160 PHE H H 7.72 . . 635 160 160 PHE C C 172.97 . . 636 160 160 PHE CA C 56.20 . . 637 160 160 PHE CB C 40.50 . . 638 160 160 PHE N N 116.70 . . 639 161 161 ASP H H 8.45 . . 640 161 161 ASP CA C 50.80 . . 641 161 161 ASP CB C 42.30 . . 642 161 161 ASP N N 121.19 . . 643 166 166 ARG H H 8.47 . . 644 166 166 ARG C C 178.29 . . 645 166 166 ARG CA C 60.90 . . 646 166 166 ARG CB C 30.20 . . 647 166 166 ARG N N 117.36 . . 648 167 167 ALA H H 7.73 . . 649 167 167 ALA C C 180.51 . . 650 167 167 ALA CA C 54.90 . . 651 167 167 ALA CB C 18.80 . . 652 167 167 ALA N N 120.07 . . 653 168 168 ILE H H 8.39 . . 654 168 168 ILE C C 177.50 . . 655 168 168 ILE CA C 64.80 . . 656 168 168 ILE CB C 39.40 . . 657 168 168 ILE N N 119.13 . . 658 169 169 LEU H H 7.42 . . 659 169 169 LEU C C 176.28 . . 660 169 169 LEU CA C 54.30 . . 661 169 169 LEU CB C 43.00 . . 662 169 169 LEU N N 113.91 . . 663 170 170 GLY H H 7.98 . . 664 170 170 GLY C C 110.83 . . 665 170 170 GLY CA C 47.20 . . 666 170 170 GLY N N 110.83 . . 667 171 171 LEU H H 7.87 . . 668 171 171 LEU C C 173.56 . . 669 171 171 LEU CA C 52.60 . . 670 171 171 LEU CB C 40.20 . . 671 171 171 LEU N N 117.29 . . 672 175 175 ALA H H 7.31 . . 673 175 175 ALA C C 177.66 . . 674 175 175 ALA CA C 52.50 . . 675 175 175 ALA CB C 19.80 . . 676 175 175 ALA N N 122.69 . . 677 176 176 ALA H H 8.49 . . 678 176 176 ALA C C 177.06 . . 679 176 176 ALA CA C 50.90 . . 680 176 176 ALA CB C 21.90 . . 681 176 176 ALA N N 125.05 . . 682 179 179 ALA H H 7.66 . . 683 179 179 ALA C C 174.88 . . 684 179 179 ALA CA C 53.70 . . 685 179 179 ALA CB C 22.20 . . 686 179 179 ALA N N 111.47 . . 687 180 180 LEU H H 8.08 . . 688 180 180 LEU C C 176.84 . . 689 180 180 LEU CA C 55.60 . . 690 180 180 LEU CB C 44.40 . . 691 180 180 LEU N N 117.88 . . 692 181 181 VAL H H 9.62 . . 693 181 181 VAL C C 174.77 . . 694 181 181 VAL CA C 61.50 . . 695 181 181 VAL CB C 35.10 . . 696 181 181 VAL N N 121.34 . . 697 182 182 ALA H H 7.78 . . 698 182 182 ALA C C 174.66 . . 699 182 182 ALA CA C 51.10 . . 700 182 182 ALA CB C 19.90 . . 701 182 182 ALA N N 132.10 . . 702 183 183 LEU H H 8.35 . . 703 183 183 LEU C C 173.39 . . 704 183 183 LEU CA C 54.80 . . 705 183 183 LEU CB C 45.30 . . 706 183 183 LEU N N 117.26 . . 707 184 184 GLY H H 8.07 . . 708 184 184 GLY C C 171.92 . . 709 184 184 GLY CA C 44.50 . . 710 184 184 GLY N N 132.20 . . 711 185 185 TYR H H 9.97 . . 712 185 185 TYR C C 175.06 . . 713 185 185 TYR CA C 58.50 . . 714 185 185 TYR CB C 36.70 . . 715 185 185 TYR N N 123.42 . . 716 187 187 ALA H H 8.61 . . 717 187 187 ALA C C 175.13 . . 718 187 187 ALA CA C 50.70 . . 719 187 187 ALA CB C 19.60 . . 720 187 187 ALA N N 122.72 . . 721 188 188 GLU H H 7.42 . . 722 188 188 GLU C C 174.23 . . 723 188 188 GLU CA C 54.40 . . 724 188 188 GLU CB C 31.90 . . 725 188 188 GLU N N 113.24 . . 726 190 190 GLY H H 7.83 . . 727 190 190 GLY C C 172.09 . . 728 190 190 GLY CA C 44.50 . . 729 190 190 GLY N N 105.42 . . 730 191 191 TYR H H 8.73 . . 731 191 191 TYR C C 173.35 . . 732 191 191 TYR CA C 55.30 . . 733 191 191 TYR CB C 39.30 . . 734 191 191 TYR N N 120.60 . . 735 193 193 SER H H 8.99 . . 736 193 193 SER C C 174.43 . . 737 193 193 SER CA C 58.80 . . 738 193 193 SER CB C 64.50 . . 739 193 193 SER N N 119.03 . . 740 194 194 HIS H H 9.45 . . 741 194 194 HIS C C 175.06 . . 742 194 194 HIS CA C 55.70 . . 743 194 194 HIS CB C 33.80 . . 744 194 194 HIS N N 124.23 . . 745 195 195 ARG C C 175.41 . . 746 195 195 ARG CA C 52.70 . . 747 195 195 ARG CB C 34.60 . . 748 196 196 LEU H H 9.19 . . 749 196 196 LEU C C 173.76 . . 750 196 196 LEU CA C 53.30 . . 751 196 196 LEU CB C 42.30 . . 752 196 196 LEU N N 123.24 . . 753 198 198 LEU H H 8.74 . . 754 198 198 LEU C C 178.87 . . 755 198 198 LEU CA C 59.90 . . 756 198 198 LEU CB C 42.50 . . 757 198 198 LEU N N 124.01 . . 758 199 199 GLU H H 9.22 . . 759 199 199 GLU C C 177.16 . . 760 199 199 GLU CA C 59.10 . . 761 199 199 GLU CB C 29.10 . . 762 199 199 GLU N N 113.83 . . 763 200 200 ARG H H 7.98 . . 764 200 200 ARG C C 176.46 . . 765 200 200 ARG CA C 56.10 . . 766 200 200 ARG CB C 30.10 . . 767 200 200 ARG N N 118.23 . . 768 201 201 VAL H H 7.35 . . 769 201 201 VAL C C 173.97 . . 770 201 201 VAL CA C 62.50 . . 771 201 201 VAL CB C 34.70 . . 772 201 201 VAL N N 112.11 . . 773 202 202 VAL H H 8.17 . . 774 202 202 VAL C C 174.34 . . 775 202 202 VAL CA C 61.40 . . 776 202 202 VAL CB C 33.70 . . 777 202 202 VAL N N 120.59 . . 778 203 203 LEU H H 8.83 . . 779 203 203 LEU C C 175.13 . . 780 203 203 LEU CA C 53.40 . . 781 203 203 LEU CB C 45.40 . . 782 203 203 LEU N N 128.51 . . 783 204 204 TRP H H 8.94 . . 784 204 204 TRP HE1 H 10.04 . . 785 204 204 TRP C C 175.55 . . 786 204 204 TRP CA C 57.60 . . 787 204 204 TRP CB C 29.40 . . 788 204 204 TRP N N 125.07 . . 789 204 204 TRP NE1 N 130.22 . . 790 205 205 ARG H H 9.23 . . 791 205 205 ARG C C 180.34 . . 792 205 205 ARG CA C 56.80 . . 793 205 205 ARG CB C 32.80 . . 794 205 205 ARG N N 133.30 . . stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $15N_no_urea stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'NOX, 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 9 ASP N 1.0648696 0.040285992 2 11 LYS N 1.0580524 0.053893525 3 12 THR N 1.3055245 0.11723149 4 13 ALA N 1.1093414 0.040895054 5 14 ALA N 1.0807717 0.056889539 6 15 LEU N 1.1074821 0.058450642 7 16 LYS N 1.0962342 0.056081358 8 17 ARG N 1.0913903 0.08485608 9 19 SER N 0.94589135 0.24768151 10 20 ILE N 1.0967202 0.085204049 11 21 ARG N 1.2418848 0.056391238 12 22 ARG N 0.95981634 0.080131695 13 23 TYR N 1.1617294 0.076223229 14 24 ARG N 1.1413731 0.098818523 15 26 ASP N 0.98478276 0.12140813 16 28 VAL N 1.0444725 0.039407683 17 32 LEU N 1.0488796 0.064857624 18 34 ARG N 0.999163 0.051998572 19 40 ALA N 1.0664956 0.067814829 20 42 ARG N 0.99784847 0.050503321 21 43 ALA N 1.0460438 0.095659533 22 45 SER N 1.0328579 0.15485794 23 48 ASN N 1.120999 0.16059532 24 50 GLN N 1.1728667 0.11480862 25 52 TRP N 1.0268017 0.073554752 26 54 ILE N 1.1743643 0.05708737 27 55 VAL N 1.0111484 0.054937516 28 56 VAL N 1.1038591 0.059458174 29 57 VAL N 1.0143959 0.065293098 30 58 ARG N 1.0692384 0.10808288 31 62 THR N 1.1172939 0.079292733 32 63 LYS N 1.0656595 0.065909957 33 64 ARG N 1.0544855 0.065271383 34 65 ALA N 1.0648306 0.0309406 35 66 LEU N 1.1175886 0.057032978 36 67 ARG N 1.0856484 0.047653641 37 70 ALA N 1.0700377 0.039100173 38 71 PHE N 0.97145417 0.095782506 39 72 GLY N 1.1735923 0.19747638 40 73 GLN N 1.0542328 0.11083315 41 74 ALA N 0.88948499 0.23286777 42 75 HIS N 1.0834155 0.1271492 43 76 VAL N 1.1961286 0.071330972 44 78 GLU N 1.0596746 0.050292436 45 79 ALA N 1.1161623 0.069344748 46 81 VAL N 1.0542576 0.032786192 47 82 VAL N 0.97270849 0.036767388 48 85 LEU N 1.1099129 0.089773598 49 86 TYR N 1.0852176 0.056276844 50 87 ALA N 0.89707404 0.055313073 51 89 LEU N 1.0966922 0.082807412 52 90 GLU N 1.0100572 0.091552368 53 91 ASP N 1.1519563 0.048582526 54 93 LEU N 1.0089055 0.061651726 55 95 HIS N 1.0135067 0.071569827 56 96 LEU N 1.1813711 0.11934845 57 98 GLU N 1.0711111 0.10383829 58 99 VAL N 1.1242862 0.083309195 59 100 ILE N 1.0757163 0.080065338 60 105 GLN N 1.3696773 0.52581523 61 109 ARG N 1.3032977 0.062324708 62 110 GLU N 1.0469367 0.059551417 63 113 LYS N 1.0906787 0.053564102 64 115 ALA N 1.1094608 0.039361051 65 117 GLN N 1.1341544 0.048800056 66 118 ARG N 1.1573203 0.055493775 67 120 PHE N 1.1006041 0.060536447 68 121 ALA N 0.9705888 0.056286277 69 128 ARG N 1.2093862 0.099960951 70 129 LYS N 1.1995702 0.069839276 71 130 ALA N 1.1141944 0.060174807 72 131 TRP N 1.1708066 0.080065636 73 132 ALA N 1.1123879 0.081972943 74 133 SER N 1.1813555 0.076535865 75 134 GLY N 1.1336823 0.065821417 76 135 GLN N 1.1485002 0.077311961 77 136 SER N 1.0880176 0.070932182 78 139 LEU N 1.0915566 0.096542739 79 141 GLY N 1.1119825 0.053063907 80 143 LEU N 1.1251004 0.044804422 81 144 LEU N 1.1224922 0.1069621 82 145 LEU N 1.0101042 0.069091226 83 146 LEU N 1.0967993 0.12871578 84 147 LEU N 1.1717004 0.083056491 85 148 GLU N 1.1652299 0.037809891 86 149 ALA N 1.0449648 0.05746879 87 151 GLY N 1.0147395 0.065689909 88 152 LEU N 1.0104993 0.060101043 89 153 GLY N 1.0003348 0.043426003 90 154 SER N 1.0672224 0.070431202 91 155 VAL N 1.0982129 0.090721027 92 166 ARG N 1.1188582 0.038239068 93 168 ILE N 1.3133541 0.052755901 94 169 LEU N 1.1057444 0.042243745 95 170 GLY N 1.0742022 0.05170777 96 175 ALA N 1.0326243 0.065740276 97 180 LEU N 1.0715303 0.042870826 98 181 VAL N 1.1266611 0.058596743 99 182 ALA N 1.1578091 0.089364813 100 183 LEU N 1.1267301 0.049594881 101 184 GLY N 1.0354604 0.069222771 102 185 TYR N 0.95112307 0.12975604 103 187 ALA N 0.98207398 0.096231341 104 188 GLU N 0.93314636 0.067521028 105 190 GLY N 0.95263995 0.082888203 106 191 TYR N 1.1217214 0.060370897 107 193 SER N 1.3343684 0.23492929 108 196 LEU N 1.0829779 0.22324719 109 199 GLU N 1.0203408 0.056944164 110 200 ARG N 1.0356429 0.040103267 111 201 VAL N 0.99089946 0.068387621 112 202 VAL N 1.1592785 0.039966926 113 203 LEU N 1.1779399 0.052450959 114 204 TRP N 1.046253 0.05203966 115 205 ARG N 1.0668407 0.077008363 stop_ save_ save_heteronuclear_T1_list_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $15N_no_urea stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'NOX, 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 9 ASP N 1.31247 0.04757 2 13 ALA N 1.23136 0.03412 3 14 ALA N 1.1525 0.03431 4 15 LEU N 1.18369 0.04685 5 16 LYS N 1.38761 0.04873 6 17 ARG N 1.34464 0.05031 7 20 ILE N 1.59503 0.05134 8 23 TYR N 1.23451 0.02948 9 24 ARG N 1.31823 0.07338 10 26 ASP N 1.18543 0.07665 11 28 VAL N 1.56589 0.06757 12 32 LEU N 1.11748 0.05466 13 34 ARG N 1.24563 0.03776 14 40 ALA N 1.58571 0.08428 15 42 ARG N 1.20266 0.03477 16 43 ALA N 1.20979 0.03034 17 45 SER N 1.34298 0.09952 18 48 ASN N 1.38886 0.03027 19 50 GLN N 1.33642 0.1319 20 52 TRP N 1.18923 0.05665 21 54 ILE N 1.21517 0.03912 22 55 VAL N 1.06849 0.0426 23 56 VAL N 1.15311 0.0272 24 57 VAL N 1.33668 0.09804 25 62 THR N 1.29898 0.02421 26 63 LYS N 1.56156 0.07704 27 64 ARG N 1.20413 0.03229 28 65 ALA N 1.28083 0.03754 29 66 LEU N 1.27916 0.03238 30 67 ARG N 1.44498 0.03235 31 70 ALA N 1.33007 0.02642 32 76 VAL N 1.59788 0.18378 33 79 ALA N 1.3467 0.05078 34 81 VAL N 1.26044 0.08551 35 82 VAL N 1.27649 0.05 36 85 LEU N 1.19469 0.04313 37 86 TYR N 1.31355 0.05491 38 87 ALA N 1.29202 0.04129 39 89 LEU N 1.24317 0.05407 40 90 GLU N 1.28641 0.04116 41 91 ASP N 1.38997 0.06367 42 93 LEU N 1.13407 0.02675 43 95 HIS N 1.3321 0.05639 44 96 LEU N 1.9238 0.1206 45 98 GLU N 1.45609 0.03105 46 99 VAL N 1.31394 0.04871 47 100 ILE N 1.22977 0.05029 48 110 GLU N 1.55463 0.04951 49 113 LYS N 1.05445 0.04978 50 115 ALA N 1.20272 0.04005 51 117 GLN N 1.25418 0.03519 52 118 ARG N 1.36149 0.02541 53 120 PHE N 1.26267 0.0379 54 121 ALA N 1.27452 0.03763 55 128 ARG N 1.39848 0.04792 56 129 LYS N 1.27197 0.02458 57 130 ALA N 1.36096 0.04983 58 131 TRP N 1.2024 0.03425 59 132 ALA N 1.63055 0.08247 60 133 SER N 1.38264 0.05896 61 134 GLY N 1.17848 0.03131 62 135 GLN N 1.33419 0.07811 63 136 SER N 1.28553 0.0461 64 141 GLY N 1.11487 0.03143 65 143 LEU N 1.27939 0.0275 66 144 LEU N 1.23605 0.03152 67 145 LEU N 1.3382 0.03175 68 146 LEU N 1.28928 0.0433 69 147 LEU N 1.23441 0.02128 70 148 GLU N 1.35144 0.05993 71 149 ALA N 1.36282 0.06215 72 151 GLY N 1.18956 0.04292 73 152 LEU N 1.22622 0.10549 74 153 GLY N 1.10306 0.05132 75 154 SER N 1.48218 0.06631 76 155 VAL N 1.29415 0.02761 77 166 ARG N 1.22969 0.03682 78 168 ILE N 0.32456 0.7335 79 169 LEU N 1.20849 0.03335 80 170 GLY N 1.14718 0.03045 81 175 ALA N 1.23592 0.03407 82 180 LEU N 1.36901 0.04486 83 181 VAL N 1.21702 0.04284 84 182 ALA N 1.20178 0.02968 85 183 LEU N 1.4324 0.08698 86 184 GLY N 1.24875 0.11091 87 185 TYR N 1.36458 0.05784 88 187 ALA N 1.35031 0.03967 89 188 GLU N 1.15906 0.02216 90 190 GLY N 1.31318 0.09833 91 191 TYR N 1.46087 0.07785 92 199 GLU N 1.3906 0.08916 93 200 ARG N 1.36608 0.03399 94 201 VAL N 1.19518 0.06237 95 202 VAL N 1.29114 0.03636 96 203 LEU N 1.1512 0.06671 97 204 TRP N 1.15699 0.03151 98 205 ARG N 1.18636 0.04639 stop_ save_ save_heteronuclear_T1_list_3 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $15N_no_urea stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'NOX, 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 9 ASP N 0.5948337 0.030909172 2 11 LYS N 0.58383896 0.042726391 3 12 THR N 0.63231177 0.046309845 4 13 ALA N 0.63781844 0.035301954 5 14 ALA N 0.5832391 0.027951429 6 15 LEU N 0.58455989 0.043313683 7 16 LYS N 0.60587969 0.039242574 8 17 ARG N 0.59105583 0.0311951 9 19 SER N 0.76366864 0.10250604 10 20 ILE N 0.70574049 0.069820894 11 21 ARG N 0.65049392 0.092448228 12 22 ARG N 0.58736277 0.055062098 13 23 TYR N 0.60789567 0.04773817 14 24 ARG N 0.63937971 0.056235282 15 26 ASP N 0.57743478 0.032678358 16 28 VAL N 0.54336305 0.037104597 17 32 LEU N 0.61575859 0.056044085 18 34 ARG N 0.58915747 0.041794467 19 40 ALA N 0.56820609 0.025228399 20 42 ARG N 0.64205291 0.049392901 21 43 ALA N 0.67969585 0.045907041 22 45 SER N 0.68115702 0.06780152 23 48 ASN N 0.75623911 0.067431619 24 50 GLN N 0.688083 0.064126592 25 52 TRP N 0.61496678 0.047034594 26 54 ILE N 0.54327424 0.025937137 27 55 VAL N 0.57262873 0.032376145 28 56 VAL N 0.56953546 0.032954661 29 57 VAL N 0.57124066 0.037066174 30 58 ARG N 0.67945973 0.066079109 31 62 THR N 0.67180755 0.048933073 32 63 LYS N 0.69224466 0.054999356 33 64 ARG N 0.61709933 0.032453651 34 65 ALA N 0.59875658 0.032793276 35 66 LEU N 0.60149018 0.029836411 36 67 ARG N 0.60377762 0.040084412 37 70 ALA N 0.57138797 0.03223706 38 71 PHE N 0.6680234 0.055697343 39 72 GLY N 0.77662936 0.088249423 40 73 GLN N 0.734561 0.072110585 41 74 ALA N 0.77752598 0.091795512 42 75 HIS N 0.8122156 0.088929506 43 76 VAL N 0.67540889 0.046094596 44 78 GLU N 0.63164521 0.039632551 45 79 ALA N 0.66811859 0.058000834 46 81 VAL N 0.60222243 0.034841198 47 82 VAL N 0.59645791 0.032964898 48 85 LEU N 0.56949227 0.035674339 49 86 TYR N 0.59480472 0.031276624 50 87 ALA N 0.58615028 0.04473843 51 89 LEU N 0.6534548 0.060776037 52 90 GLU N 0.66331847 0.050207813 53 91 ASP N 0.63518098 0.052177239 54 93 LEU N 0.60206806 0.040024117 55 95 HIS N 0.64190464 0.055392405 56 96 LEU N 0.78093357 0.08584377 57 98 GLU N 0.77096212 0.076621422 58 99 VAL N 0.68604376 0.051935295 59 100 ILE N 0.71040354 0.056414615 60 105 GLN N 0.83603211 0.12918553 61 109 ARG N 0.79989054 0.097556732 62 110 GLU N 0.71639646 0.064582057 63 113 LYS N 0.6320478 0.049174049 64 115 ALA N 0.61826801 0.026640436 65 117 GLN N 0.58675069 0.028685767 66 118 ARG N 0.60932531 0.029982052 67 120 PHE N 0.58405398 0.039492955 68 121 ALA N 0.64312678 0.043935833 69 128 ARG N 0.7006705 0.069753337 70 129 LYS N 0.70041425 0.057833684 71 130 ALA N 0.70414052 0.048698802 72 131 TRP N 0.65771557 0.047944279 73 132 ALA N 0.70196478 0.050084121 74 133 SER N 0.68287686 0.059297283 75 134 GLY N 0.65364733 0.046354063 76 135 GLN N 0.65528778 0.042410296 77 136 SER N 0.6370307 0.043973444 78 139 LEU N 0.6102443 0.041503956 79 141 GLY N 0.60942615 0.036712798 80 143 LEU N 0.57067003 0.034913328 81 144 LEU N 0.60975847 0.041162223 82 145 LEU N 0.58628526 0.041085481 83 146 LEU N 0.6082024 0.032522891 84 147 LEU N 0.60065126 0.037632417 85 148 GLU N 0.65297784 0.04481054 86 149 ALA N 0.63844544 0.040735531 87 151 GLY N 0.60125729 0.03354291 88 152 LEU N 0.58910149 0.032216328 89 153 GLY N 0.62168335 0.040866481 90 154 SER N 0.6869312 0.062157033 91 155 VAL N 0.63937659 0.052558051 92 166 ARG N 0.60081348 0.04055944 93 168 ILE N 0.58959956 0.024071601 94 169 LEU N 0.58612073 0.027266247 95 170 GLY N 0.56845061 0.030412726 96 175 ALA N 0.73044298 0.066692674 97 180 LEU N 0.58295935 0.037440893 98 181 VAL N 0.52315346 0.025141716 99 182 ALA N 0.58531363 0.040683508 100 183 LEU N 0.62078398 0.037581084 101 184 GLY N 0.61280579 0.045163701 102 185 TYR N 0.6754025 0.066984786 103 187 ALA N 0.62998335 0.049009804 104 188 GLU N 0.66314225 0.053399398 105 190 GLY N 0.72861118 0.067697603 106 191 TYR N 0.78688197 0.082803016 107 193 SER N 1.0440701 0.12454144 108 196 LEU N 0.70131203 0.066432597 109 199 GLU N 0.67203181 0.05598165 110 200 ARG N 0.66957393 0.037428072 111 201 VAL N 0.63183948 0.035902578 112 202 VAL N 0.62908014 0.036491382 113 203 LEU N 0.57923753 0.028053036 114 204 TRP N 0.55075093 0.03029206 115 205 ARG N 0.59472039 0.042269957 stop_ save_ save_heteronuclear_T1_list_4 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $15N_no_urea stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'NOX, 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 9 ASP N 0.679579 0.013609 2 13 ALA N 0.68498 0.018098 3 14 ALA N 0.624379 0.010283 4 15 LEU N 0.633057 0.02202 5 16 LYS N 0.672508 0.014897 6 17 ARG N 0.680539 0.023288 7 20 ILE N 0.734569 0.020687 8 23 TYR N 0.652474 0.014909 9 24 ARG N 0.65979 0.0234 10 26 ASP N 0.604488 0.02569 11 28 VAL N 0.637438 0.011901 12 32 LEU N 0.670182 0.017943 13 34 ARG N 0.631699 0.023881 14 40 ALA N 0.679041 0.012012 15 42 ARG N 0.631404 0.023177 16 43 ALA N 0.687841 0.017097 17 45 SER N 0.675878 0.04526 18 48 ASN N 0.741953 0.028 19 50 GLN N 0.678445 0.029008 20 52 TRP N 0.664443 0.011875 21 54 ILE N 0.589901 0.015267 22 55 VAL N 0.608305 0.014163 23 56 VAL N 0.618999 0.013628 24 57 VAL N 0.602391 0.017689 25 62 THR N 0.709382 0.012647 26 63 LYS N 0.695174 0.012885 27 64 ARG N 0.636974 0.016196 28 65 ALA N 0.662726 0.017097 29 66 LEU N 0.655175 0.014725 30 67 ARG N 0.687079 0.018676 31 70 ALA N 0.614444 0.010442 32 76 VAL N 0.720761 0.014202 33 79 ALA N 0.654486 0.010269 34 81 VAL N 0.616893 0.012691 35 82 VAL N 0.642804 0.018229 36 85 LEU N 0.626714 0.018432 37 86 TYR N 0.659965 0.017532 38 87 ALA N 0.646048 0.018964 39 89 LEU N 0.753962 0.018406 40 90 GLU N 0.724131 0.01825 41 91 ASP N 0.668173 0.010834 42 93 LEU N 0.655284 0.01997 43 95 HIS N 0.700161 0.016353 44 96 LEU N 0.831178 0.043272 45 98 GLU N 0.778292 0.015035 46 99 VAL N 0.69948 0.024292 47 100 ILE N 0.70188 0.021248 48 110 GLU N 0.729255 0.016861 49 113 LYS N 0.672105 0.012651 50 115 ALA N 0.659016 0.012341 51 117 GLN N 0.635318 0.019947 52 118 ARG N 0.6281 0.009734 53 120 PHE N 0.621446 0.020948 54 121 ALA N 0.678193 0.013157 55 128 ARG N 0.747701 0.019495 56 129 LYS N 0.718384 0.01766 57 130 ALA N 0.755299 0.014922 58 131 TRP N 0.678852 0.020287 59 132 ALA N 0.732494 0.01433 60 133 SER N 0.731356 0.018644 61 134 GLY N 0.713535 0.018996 62 135 GLN N 0.674401 0.023974 63 136 SER N 0.664761 0.017332 64 141 GLY N 0.670502 0.019355 65 143 LEU N 0.624454 0.022993 66 144 LEU N 0.64791 0.020831 67 145 LEU N 0.713169 0.024625 68 146 LEU N 0.667751 0.017271 69 147 LEU N 0.655635 0.025583 70 148 GLU N 0.691681 0.019165 71 149 ALA N 0.715464 0.02202 72 151 GLY N 0.628836 0.014344 73 152 LEU N 0.598719 0.016413 74 153 GLY N 0.63621 0.026977 75 154 SER N 0.718962 0.037839 76 155 VAL N 0.672971 0.018169 77 166 ARG N 0.695195 0.022111 78 168 ILE N 0.621942 0.015038 79 169 LEU N 0.644359 0.014675 80 170 GLY N 0.609807 0.010554 81 175 ALA N 0.723171 0.016866 82 180 LEU N 0.581296 0.022295 83 181 VAL N 0.588592 0.014371 84 182 ALA N 0.651094 0.010801 85 183 LEU N 0.66739 0.01697 86 184 GLY N 0.696821 0.024243 87 185 TYR N 0.689467 0.028275 88 187 ALA N 0.69281 0.019281 89 188 GLU N 0.678152 0.006631 90 190 GLY N 0.754828 0.018432 91 191 TYR N 0.818393 0.024326 92 199 GLU N 0.701414 0.02273 93 200 ARG N 0.711407 0.011074 94 201 VAL N 0.672268 0.014737 95 202 VAL N 0.704056 0.015623 96 203 LEU N 0.584477 0.019524 97 204 TRP N 0.626403 0.013594 98 205 ARG N 0.674608 0.015181 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $15N_urea stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name 'NOX, 1' _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 9 ASP N 18.1974 0.4667 . . 2 11 LYS N 18.7823 0.8294 . . 3 12 THR N 18.2696 0.7925 . . 4 13 ALA N 21.4013 1.0404 . . 5 14 ALA N 19.8929 0.4017 . . 6 15 LEU N 20.9297 2.3424 . . 7 16 LYS N 20.3598 1.9256 . . 8 17 ARG N 22.2933 0.7673 . . 9 19 SER N 18.6415 1.4152 . . 10 20 ILE N 22.5657 3.2846 . . 11 21 ARG N 19.6614 0.5985 . . 12 22 ARG N 19.6216 2.7964 . . 13 23 TYR N 18.1593 0.7176 . . 14 24 ARG N 20.5762 3.4257 . . 15 26 ASP N 17.9292 0.9823 . . 16 28 VAL N 15.3797 0.8688 . . 17 32 LEU N 19.2457 0.7434 . . 18 34 ARG N 19.3916 0.8439 . . 19 40 ALA N 18.2778 2.4374 . . 20 42 ARG N 19.5431 0.8247 . . 21 43 ALA N 20.6599 1.1576 . . 22 45 SER N 17.7979 1.0198 . . 23 48 ASN N 19.8339 0.9749 . . 24 50 GLN N 20.9443 2.0146 . . 25 52 TRP N 17.3308 1.2722 . . 26 54 ILE N 17.4444 1.6603 . . 27 55 VAL N 18.6148 0.2842 . . 28 56 VAL N 19.2542 0.9396 . . 29 57 VAL N 17.6379 0.5328 . . 30 58 ARG N 20.0035 0.7974 . . 31 62 THR N 18.0325 0.7025 . . 32 63 LYS N 19.8798 1.8845 . . 33 64 ARG N 19.0073 0.6488 . . 34 65 ALA N 18.8879 0.2327 . . 35 66 LEU N 17.4485 1.6218 . . 36 67 ARG N 19.7695 2.4914 . . 37 70 ALA N 18.666 0.4779 . . 38 71 PHE N 18.6767 0.4496 . . 39 72 GLY N 21.0035 2.4429 . . 40 73 GLN N 21.1914 0.8135 . . 41 74 ALA N 17.9918 2.8747 . . 42 75 HIS N 18.7832 0.7158 . . 43 76 VAL N 21.5437 1.0252 . . 44 78 GLU N 19.2697 0.4694 . . 45 79 ALA N 18.9149 0.2496 . . 46 81 VAL N 18.3983 0.4432 . . 47 82 VAL N 19.1516 2.1799 . . 48 85 LEU N 17.2487 2.3638 . . 49 86 TYR N 19.0952 0.7773 . . 50 87 ALA N 20.5869 0.9447 . . 51 89 LEU N 20.0236 0.5809 . . 52 90 GLU N 19.4965 0.4986 . . 53 91 ASP N 17.5248 1.1387 . . 54 93 LEU N 22.0401 1.7146 . . 55 95 HIS N 19.1104 0.7641 . . 56 96 LEU N 18.4059 0.835 . . 57 98 GLU N 19.6205 0.6767 . . 58 99 VAL N 18.1819 0.424 . . 59 100 ILE N 19.609 0.548 . . 60 105 GLN N 17.0315 3.0674 . . 61 109 ARG N 20.5936 0.8985 . . 62 110 GLU N 19.3869 0.5573 . . 63 113 LYS N 19.3728 0.7347 . . 64 115 ALA N 19.4146 0.437 . . 65 117 GLN N 20.9882 0.494 . . 66 118 ARG N 18.1134 0.5083 . . 67 120 PHE N 18.5439 0.5248 . . 68 121 ALA N 18.0061 0.5495 . . 69 128 ARG N 18.939 0.6844 . . 70 129 LYS N 19.8609 1.3073 . . 71 130 ALA N 18.2924 1.0306 . . 72 131 TRP N 18.8585 0.7581 . . 73 132 ALA N 20.9676 1.2133 . . 74 133 SER N 19.6414 1.0071 . . 75 134 GLY N 18.8792 1.5353 . . 76 135 GLN N 18.7985 1.2234 . . 77 136 SER N 18.3143 0.6407 . . 78 139 LEU N 14.7432 4.8703 . . 79 141 GLY N 20.0694 3.9002 . . 80 143 LEU N 19.8317 0.7457 . . 81 144 LEU N 19.968 1.4173 . . 82 145 LEU N 21.2248 1.5696 . . 83 146 LEU N 19.5298 1.0938 . . 84 147 LEU N 21.0276 0.6883 . . 85 148 GLU N 20.4419 0.9077 . . 86 149 ALA N 23.9099 3.0211 . . 87 151 GLY N 19.4078 0.595 . . 88 152 LEU N 19.4926 1.0301 . . 89 153 GLY N 18.2352 0.6419 . . 90 154 SER N 18.4613 0.5149 . . 91 155 VAL N 17.0701 3.2545 . . 92 166 ARG N 16.4657 1.2777 . . 93 168 ILE N 20.5047 1.5762 . . 94 169 LEU N 19.1846 0.9901 . . 95 170 GLY N 19.2469 0.4759 . . 96 175 ALA N 18.9783 0.7247 . . 97 180 LEU N 19.7174 0.7001 . . 98 181 VAL N 18.5465 0.3626 . . 99 182 ALA N 19.3254 0.8446 . . 100 183 LEU N 16.8452 1.6417 . . 101 184 GLY N 18.8739 0.7462 . . 102 185 TYR N 19.9525 0.8445 . . 103 187 ALA N 16.1215 4.0926 . . 104 188 GLU N 16.808 0.2886 . . 105 190 GLY N 16.7836 0.7434 . . 106 191 TYR N 16.1935 0.6402 . . 107 193 SER N 13.9448 0.9007 . . 108 196 LEU N 22.1783 1.1602 . . 109 199 GLU N 18.1328 0.4109 . . 110 200 ARG N 18.0117 0.8624 . . 111 201 VAL N 18.3345 0.6821 . . 112 202 VAL N 17.1865 0.6156 . . 113 203 LEU N 17.6037 0.9448 . . 114 204 TRP N 17.4912 0.3366 . . 115 205 ARG N 17.7139 0.337 . . stop_ save_ save_heteronuclear_T2_list_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $15N_urea stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name 'NOX, 1' _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 9 ASP N 19.366 0.7844 . . 2 13 ALA N 19.8287 0.9795 . . 3 14 ALA N 20.6154 0.5768 . . 4 15 LEU N 19.67 4.9384 . . 5 16 LYS N 19.0492 7.6956 . . 6 17 ARG N 24.2411 1.7343 . . 7 20 ILE N 24.472 7.2552 . . 8 23 TYR N 17.6427 0.7454 . . 9 24 ARG N 24.3156 5.6126 . . 10 26 ASP N 19.0915 1.3492 . . 11 28 VAL N 19.0747 3.0929 . . 12 32 LEU N 19.69 1.5106 . . 13 34 ARG N 20.9128 1.3109 . . 14 40 ALA N 22.4674 3.8614 . . 15 42 ARG N 20.3458 1.0774 . . 16 43 ALA N 24.4807 2.1568 . . 17 45 SER N 22.4239 1.5355 . . 18 48 ASN N 26.4934 2.2013 . . 19 50 GLN N 25.1555 3.9247 . . 20 52 TRP N 17.7319 2.013 . . 21 54 ILE N 20.2083 5.6636 . . 22 55 VAL N 19.7972 0.9649 . . 23 56 VAL N 19.5044 0.7853 . . 24 57 VAL N 18.9198 1.0775 . . 25 62 THR N 18.6274 1.6522 . . 26 63 LYS N 18.1297 2.4715 . . 27 64 ARG N 19.6228 1.1355 . . 28 65 ALA N 18.7796 0.8493 . . 29 66 LEU N 24.6431 5.4702 . . 30 67 ARG N 21.3061 3.8565 . . 31 70 ALA N 18.817 1.3044 . . 32 76 VAL N 18.8134 2.0151 . . 33 79 ALA N 19.2989 0.7721 . . 34 81 VAL N 17.7918 0.929 . . 35 82 VAL N 12.7346 2.2407 . . 36 85 LEU N 21.6529 1.9948 . . 37 86 TYR N 18.4743 0.8131 . . 38 87 ALA N 19.9503 1.7032 . . 39 89 LEU N 16.958 0.8202 . . 40 90 GLU N 18.053 1.1052 . . 41 91 ASP N 22.124 3.1917 . . 42 93 LEU N 18.6719 3.2128 . . 43 95 HIS N 16.8122 0.8797 . . 44 96 LEU N 20.0895 2.7177 . . 45 98 GLU N 19.1032 1.0922 . . 46 99 VAL N 18.8253 1.4802 . . 47 100 ILE N 19.3028 1.5169 . . 48 110 GLU N 18.785 0.6795 . . 49 113 LYS N 18.9485 1.0973 . . 50 115 ALA N 20.1035 0.905 . . 51 117 GLN N 19.4353 0.8316 . . 52 118 ARG N 17.9928 1.3128 . . 53 120 PHE N 19.2924 1.2396 . . 54 121 ALA N 20.2463 0.8534 . . 55 128 ARG N 18.154 1.2267 . . 56 129 LYS N 25.2333 5.9712 . . 57 130 ALA N 20.3837 2.2639 . . 58 131 TRP N 18.2128 0.4954 . . 59 132 ALA N 20.7328 1.4114 . . 60 133 SER N 20.8762 1.3919 . . 61 134 GLY N 19.42 1.5512 . . 62 135 GLN N 18.0151 1.0718 . . 63 136 SER N 19.7497 1.0065 . . 64 141 GLY N 22.1043 2.8999 . . 65 143 LEU N 20.2981 0.6754 . . 66 144 LEU N 20.977 0.7823 . . 67 145 LEU N 21.4316 1.2551 . . 68 146 LEU N 24.3679 5.1023 . . 69 147 LEU N 19.6667 1.1511 . . 70 148 GLU N 22.4571 1.341 . . 71 149 ALA N 16.9268 7.2082 . . 72 151 GLY N 19.9872 4.0072 . . 73 152 LEU N 19.1588 1.3763 . . 74 153 GLY N 19.9475 0.9003 . . 75 154 SER N 18.6642 1.6389 . . 76 155 VAL N 23.6103 2.3542 . . 77 166 ARG N 21.2407 7.0553 . . 78 168 ILE N 14.1876 5.2544 . . 79 169 LEU N 18.837 0.6158 . . 80 170 GLY N 19.5252 0.6372 . . 81 175 ALA N 19.3051 0.6565 . . 82 180 LEU N 18.8249 0.9477 . . 83 181 VAL N 16.917 0.55 . . 84 182 ALA N 22.3002 1.0489 . . 85 183 LEU N 22.1137 2.8641 . . 86 184 GLY N 26.5209 4.8501 . . 87 185 TYR N 17.9456 1.2784 . . 88 187 ALA N 15.7185 5.8742 . . 89 188 GLU N 17.3894 0.5693 . . 90 190 GLY N 19.7568 3.0565 . . 91 191 TYR N 17.453 2.2911 . . 92 199 GLU N 21.0017 2.0433 . . 93 200 ARG N 19.2514 2.0173 . . 94 201 VAL N 17.9942 1.8093 . . 95 202 VAL N 16.5219 1.5481 . . 96 203 LEU N 21.3019 1.322 . . 97 204 TRP N 20.012 0.7007 . . 98 205 ARG N 19.3527 0.4195 . . stop_ save_ save_heteronuclear_T2_list_3 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $15N_urea stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name 'NOX, 1' _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 9 ASP N 23.9662 0.9623 . . 2 11 LYS N 24.3985 1.4137 . . 3 12 THR N 25.9020 1.2222 . . 4 13 ALA N 27.8382 0.8385 . . 5 14 ALA N 26.8137 1.1928 . . 6 15 LEU N 25.0382 1.1287 . . 7 16 LYS N 25.0733 0.6240 . . 8 17 ARG N 25.4484 1.0126 . . 9 19 SER N 24.5119 1.3373 . . 10 20 ILE N 25.5043 1.4978 . . 11 21 ARG N 23.8855 1.5325 . . 12 22 ARG N 23.4080 0.8698 . . 13 23 TYR N 24.4599 1.1851 . . 14 24 ARG N 26.0756 0.8282 . . 15 26 ASP N 22.3770 0.7469 . . 16 28 VAL N 22.2639 0.8584 . . 17 32 LEU N 24.9076 1.3993 . . 18 34 ARG N 25.5538 0.9614 . . 19 40 ALA N 27.2498 0.7622 . . 20 42 ARG N 25.6596 0.9917 . . 21 43 ALA N 28.9059 0.8753 . . 22 45 SER N 25.0961 1.7332 . . 23 48 ASN N 27.2105 0.6674 . . 24 50 GLN N 27.2845 1.5033 . . 25 52 TRP N 25.9599 1.5035 . . 26 54 ILE N 23.8439 0.9246 . . 27 55 VAL N 24.0740 0.7672 . . 28 56 VAL N 25.7138 0.6816 . . 29 57 VAL N 24.8323 0.7219 . . 30 58 ARG N 23.2443 1.3239 . . 31 62 THR N 24.2882 0.8265 . . 32 63 LYS N 23.9117 0.7935 . . 33 64 ARG N 25.3741 1.1021 . . 34 65 ALA N 25.3627 0.9766 . . 35 66 LEU N 25.2403 0.8975 . . 36 67 ARG N 24.3019 0.7548 . . 37 70 ALA N 25.1656 0.8759 . . 38 71 PHE N 25.4217 1.1964 . . 39 72 GLY N 27.6353 1.3129 . . 40 73 GLN N 25.5136 1.2735 . . 41 74 ALA N 29.9409 1.3841 . . 42 75 HIS N 26.2592 0.8069 . . 43 76 VAL N 27.0145 1.9009 . . 44 78 GLU N 23.0016 1.3257 . . 45 79 ALA N 25.5794 0.8539 . . 46 81 VAL N 23.8154 0.7715 . . 47 82 VAL N 25.1831 0.6434 . . 48 85 LEU N 26.2570 0.5202 . . 49 86 TYR N 26.0457 0.8754 . . 50 87 ALA N 25.3064 0.8853 . . 51 89 LEU N 24.6198 0.7449 . . 52 90 GLU N 25.4578 1.0099 . . 53 91 ASP N 25.3186 1.0732 . . 54 93 LEU N 25.8331 1.4394 . . 55 95 HIS N 23.3119 1.0515 . . 56 96 LEU N 24.4994 1.1105 . . 57 98 GLU N 23.9028 0.8253 . . 58 99 VAL N 24.8250 1.4223 . . 59 100 ILE N 25.3495 0.8086 . . 60 105 GLN N 20.7957 0.9741 . . 61 109 ARG N 25.9072 2.1539 . . 62 110 GLU N 26.5568 0.9604 . . 63 113 LYS N 25.3585 0.6951 . . 64 115 ALA N 26.2831 0.9009 . . 65 117 GLN N 25.0484 1.3461 . . 66 118 ARG N 25.2143 0.7441 . . 67 120 PHE N 22.4204 0.5318 . . 68 121 ALA N 25.4285 0.8987 . . 69 128 ARG N 24.5984 0.7239 . . 70 129 LYS N 25.1645 0.7514 . . 71 130 ALA N 25.7856 0.8532 . . 72 131 TRP N 25.7568 0.9374 . . 73 132 ALA N 26.0820 0.5903 . . 74 133 SER N 25.0249 1.1598 . . 75 134 GLY N 25.8611 1.1924 . . 76 135 GLN N 23.9556 1.8340 . . 77 136 SER N 24.9776 0.9784 . . 78 139 LEU N 25.8282 3.9954 . . 79 141 GLY N 25.6012 0.7664 . . 80 143 LEU N 24.5337 0.9023 . . 81 144 LEU N 26.3789 0.9115 . . 82 145 LEU N 28.6530 1.3206 . . 83 146 LEU N 26.2168 0.9535 . . 84 147 LEU N 25.1748 1.3161 . . 85 148 GLU N 25.9421 1.0479 . . 86 149 ALA N 25.9857 0.8346 . . 87 151 GLY N 26.5126 0.9859 . . 88 152 LEU N 26.4933 0.8774 . . 89 153 GLY N 23.7641 0.5954 . . 90 154 SER N 24.5450 0.9643 . . 91 155 VAL N 25.7677 1.0778 . . 92 166 ARG N 25.1718 0.9004 . . 93 168 ILE N 25.2333 1.0453 . . 94 169 LEU N 23.6375 0.8790 . . 95 170 GLY N 25.3046 1.0273 . . 96 175 ALA N 24.8780 0.8331 . . 97 180 LEU N 24.7966 1.0271 . . 98 181 VAL N 23.5220 0.8976 . . 99 182 ALA N 25.4125 0.6141 . . 100 183 LEU N 25.8835 1.4759 . . 101 184 GLY N 23.4542 1.0871 . . 102 185 TYR N 25.7832 0.6957 . . 103 187 ALA N 24.5181 0.8335 . . 104 188 GLU N 23.3003 0.8671 . . 105 190 GLY N 24.0553 1.2264 . . 106 191 TYR N 21.5551 0.9271 . . 107 193 SER N 20.4573 0.8213 . . 108 196 LEU N 25.6603 0.9871 . . 109 199 GLU N 24.2586 0.9144 . . 110 200 ARG N 24.9176 0.9574 . . 111 201 VAL N 22.7262 1.2582 . . 112 202 VAL N 24.6068 0.6681 . . 113 203 LEU N 24.7162 0.9184 . . 114 204 TRP N 24.3724 0.8100 . . 115 205 ARG N 24.9701 0.3927 . . stop_ save_ save_heteronuclear_T2_list_4 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $15N_urea stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name 'NOX, 1' _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 9 ASP N 21.7964 0.5335 . . 2 13 ALA N 24.831 0.7638 . . 3 14 ALA N 24.7889 0.6282 . . 4 15 LEU N 22.9481 0.8048 . . 5 16 LYS N 25.1175 0.8499 . . 6 17 ARG N 26.0247 0.9164 . . 7 20 ILE N 23.517 1.3884 . . 8 23 TYR N 25.9435 1.0882 . . 9 24 ARG N 24.6549 0.9738 . . 10 26 ASP N 19.9933 1.0958 . . 11 28 VAL N 20.3221 0.4996 . . 12 32 LEU N 25.2639 0.9426 . . 13 34 ARG N 24.4639 0.5356 . . 14 40 ALA N 21.6507 0.6945 . . 15 42 ARG N 23.7514 0.6675 . . 16 43 ALA N 27.1422 0.7483 . . 17 45 SER N 20.922 1.0162 . . 18 48 ASN N 25.7627 1.2375 . . 19 50 GLN N 24.4686 1.6093 . . 20 52 TRP N 23.827 0.8632 . . 21 54 ILE N 23.3892 0.6062 . . 22 55 VAL N 22.9367 0.9927 . . 23 56 VAL N 23.6508 0.4766 . . 24 57 VAL N 24.0303 0.5879 . . 25 62 THR N 23.5085 0.5796 . . 26 63 LYS N 24.1923 0.876 . . 27 64 ARG N 24.5543 0.6204 . . 28 65 ALA N 24.8108 0.4403 . . 29 66 LEU N 23.2668 0.8753 . . 30 67 ARG N 24.7987 1.0658 . . 31 70 ALA N 24.3015 0.6833 . . 32 76 VAL N 26.3526 0.7533 . . 33 79 ALA N 24.688 0.7505 . . 34 81 VAL N 22.5319 0.6733 . . 35 82 VAL N 24.8028 0.4432 . . 36 85 LEU N 26.6699 1.0071 . . 37 86 TYR N 23.2844 0.8939 . . 38 87 ALA N 24.758 1.0564 . . 39 89 LEU N 23.1194 1.1092 . . 40 90 GLU N 23.4412 1.3039 . . 41 91 ASP N 26.2282 1.0874 . . 42 93 LEU N 24.4217 1.0157 . . 43 95 HIS N 22.1142 0.6798 . . 44 96 LEU N 24.7853 3.6082 . . 45 98 GLU N 22.1484 0.9266 . . 46 99 VAL N 21.2318 0.9272 . . 47 100 ILE N 27.7807 1.2538 . . 48 110 GLU N 24.4981 1.2228 . . 49 113 LYS N 22.2143 1.2089 . . 50 115 ALA N 25.5694 0.9616 . . 51 117 GLN N 23.2247 0.7248 . . 52 118 ARG N 24.2867 0.7778 . . 53 120 PHE N 21.3628 0.6187 . . 54 121 ALA N 24.4787 0.6618 . . 55 128 ARG N 24.0559 0.9787 . . 56 129 LYS N 23.029 1.9343 . . 57 130 ALA N 23.9662 0.4963 . . 58 131 TRP N 26.112 1.8125 . . 59 132 ALA N 27.3493 0.7312 . . 60 133 SER N 22.1744 0.8646 . . 61 134 GLY N 22.8932 0.6584 . . 62 135 GLN N 21.7337 1.582 . . 63 136 SER N 22.7268 0.6603 . . 64 141 GLY N 21.3533 0.4877 . . 65 143 LEU N 22.3586 0.7225 . . 66 144 LEU N 22.4079 0.6453 . . 67 145 LEU N 26.9895 1.6529 . . 68 146 LEU N 22.8339 0.9661 . . 69 147 LEU N 23.6362 0.9481 . . 70 148 GLU N 24.8868 1.0153 . . 71 149 ALA N 26.0446 1.1402 . . 72 151 GLY N 23.4394 0.6367 . . 73 152 LEU N 25.0709 0.5475 . . 74 153 GLY N 21.8161 0.8083 . . 75 154 SER N 24.7617 2.7541 . . 76 155 VAL N 22.7237 0.7569 . . 77 166 ARG N 22.9997 1.4383 . . 78 168 ILE N 23.9788 1.0285 . . 79 169 LEU N 20.5847 1.381 . . 80 170 GLY N 22.355 0.5238 . . 81 175 ALA N 24.6675 0.868 . . 82 180 LEU N 20.5424 1.0445 . . 83 181 VAL N 21.1769 0.5933 . . 84 182 ALA N 25.982 0.8621 . . 85 183 LEU N 24.3009 0.7675 . . 86 184 GLY N 18.22 1.0586 . . 87 185 TYR N 24.9639 1.3275 . . 88 187 ALA N 22.0525 0.9857 . . 89 188 GLU N 20.9663 0.4881 . . 90 190 GLY N 21.3767 0.42 . . 91 191 TYR N 18.9436 0.3847 . . 92 199 GLU N 21.6128 0.4577 . . 93 200 ARG N 23.3914 0.9149 . . 94 201 VAL N 20.3174 0.7107 . . 95 202 VAL N 23.0138 0.7393 . . 96 203 LEU N 23.8793 0.6404 . . 97 204 TRP N 21.5295 0.4374 . . 98 205 ARG N 23.1395 0.4555 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label {1H}NOE stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'NOX, 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 9 ASP 0.68196 0.0786 11 LYS 0.909238 0.17528 12 THR 0.716323 0.10073 13 ALA 1.001866 0.16991 14 ALA 1.01846 0.20261 15 LEU 0.71484 0.1235 16 LYS 0.683507 0.09922 17 ARG 0.703809 0.17227 19 SER 0.750933 0.19487 20 ILE 0.839754 0.25153 21 ARG 0.575275 0.05031 22 ARG 0.612193 0.10604 23 TYR 0.739745 0.11664 24 ARG 0.730379 0.12731 26 ASP 0.716427 0.14322 28 VAL 0.655603 0.11609 32 LEU 0.836218 0.1358 34 ARG 1.047873 0.13772 40 ALA 0.815391 0.09026 42 ARG 0.699975 0.1021 43 ALA 0.798467 0.12067 45 SER 0.80758 0.15237 48 ASN 0.832019 0.15524 50 GLN 0.846808 0.15762 52 TRP 0.811539 0.09191 54 ILE 0.857247 0.06616 55 VAL 0.797629 0.13938 56 VAL 0.746686 0.14553 57 VAL 0.672511 0.12609 58 ARG 0.67059 0.08529 62 THR 0.784138 0.06279 63 LYS 1.048383 0.11341 64 ARG 0.808622 0.06029 65 ALA 0.818907 0.10812 66 LEU 0.852352 0.06414 67 ARG 0.757301 0.18864 70 ALA 0.760156 0.09408 71 PHE 0.727946 0.09988 72 GLY 0.825261 0.15231 73 GLN 0.929337 0.14273 74 ALA 0.890372 0.18149 75 HIS 0.732053 0.06164 76 VAL 0.795584 0.15301 78 GLU 0.806643 0.1311 79 ALA 0.836175 0.07545 81 VAL 0.778831 0.09692 82 VAL 0.780244 0.09763 85 LEU 0.896826 0.14737 86 TYR 0.837845 0.11948 87 ALA 0.711955 0.12923 89 LEU 0.732727 0.13237 90 GLU 0.681457 0.09989 91 ASP 0.641608 0.0966 93 LEU 0.769815 0.14343 95 HIS 0.831267 0.08871 96 LEU 0.608698 0.07454 98 GLU 0.685918 0.09919 99 VAL 0.812278 0.13807 100 ILE 0.880414 0.16602 105 GLN 0.61786 0.14553 109 ARG 0.72641 0.14584 110 GLU 0.715685 0.09092 113 LYS 0.711322 0.0803 115 ALA 0.796561 0.1196 117 GLN 0.76968 0.09632 118 ARG 0.74623 0.0754 120 PHE 0.683175 0.09575 121 ALA 0.753824 0.12648 128 ARG 0.723991 0.10936 129 LYS 0.707949 0.11964 130 ALA 0.813879 0.11059 131 TRP 0.753753 0.10285 132 ALA 0.802604 0.14497 133 SER 0.838802 0.08303 134 GLY 0.77371 0.11825 135 GLN 0.849646 0.12855 136 SER 0.744277 0.06651 139 LEU 0.87979 0.142 141 GLY 0.847021 0.12892 143 LEU 0.802059 0.10781 144 LEU 0.746487 0.11754 145 LEU 0.803323 0.14544 146 LEU 0.756604 0.12401 147 LEU 0.528603 0.06364 148 GLU 0.809583 0.12042 149 ALA 0.815669 0.11767 151 GLY 0.778736 0.11689 152 LEU 0.672538 0.04841 153 GLY 0.816327 0.13999 154 SER 0.738336 0.13798 155 VAL 0.748065 0.14275 166 ARG 0.785816 0.10957 168 ILE 0.675887 0.09408 169 LEU 0.874288 0.13102 170 GLY 0.757763 0.1028 175 ALA 0.719453 0.09792 180 LEU 0.70328 0.04646 181 VAL 0.762579 0.1199 182 ALA 0.79518 0.13141 183 LEU 0.73282 0.09642 184 GLY 0.783694 0.13535 185 TYR 0.89495 0.14508 187 ALA 0.850402 0.17876 188 GLU 0.727047 0.09013 190 GLY 0.733552 0.11211 191 TYR 0.687804 0.08449 193 SER 0.530087 0.08906 196 LEU 0.856239 0.18618 199 GLU 0.775084 0.10071 200 ARG 0.683358 0.06873 201 VAL 0.802412 0.13403 202 VAL 0.732701 0.09442 203 LEU 0.834641 0.14348 204 TRP 0.776831 0.11963 205 ARG 0.644821 0.11801 stop_ save_ save_heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label {1H}NOE stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name 'NOX, 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 9 ASP 0.835513 0.03979 11 LYS 0.894946 0.05899 12 THR 0.886556 0.05327 13 ALA 0.876751 0.04543 14 ALA 0.834763 0.03917 15 LEU 0.825678 0.04634 16 LYS 0.811645 0.05264 17 ARG 0.825671 0.01743 19 SER 0.778228 0.08371 20 ILE 0.934062 0.08096 21 ARG 0.816965 0.07027 22 ARG 0.786924 0.04726 23 TYR 0.774774 0.04057 24 ARG 0.871285 0.05957 26 ASP 0.882974 0.05994 28 VAL 0.710722 0.03145 32 LEU 0.833581 0.04594 34 ARG 0.837569 0.0484 40 ALA 0.824994 0.0373 42 ARG 0.782817 0.04029 43 ALA 0.845577 0.04547 45 SER 0.893379 0.06016 48 ASN 0.888362 0.05235 50 GLN 0.833647 0.05177 52 TRP 0.864168 0.03463 54 ILE 0.873515 0.04429 55 VAL 0.808848 0.05162 56 VAL 0.980947 0.06764 57 VAL 0.804773 0.04494 58 ARG 0.966914 0.08126 62 THR 0.850682 0.02301 63 LYS 0.720787 0.02933 64 ARG 0.863154 0.03536 65 ALA 0.837743 0.04054 66 LEU 0.855847 0.04136 67 ARG 0.839616 0.05355 70 ALA 0.794308 0.03521 71 PHE 0.818604 0.03995 72 GLY 0.883468 0.0602 73 GLN 0.92259 0.05111 74 ALA 0.773482 0.06171 75 HIS 0.764659 0.04194 76 VAL 0.926934 0.06358 78 GLU 0.793493 0.03694 79 ALA 0.834486 0.02328 81 VAL 0.844732 0.03714 82 VAL 0.843103 0.05234 85 LEU 0.83026 0.04874 86 TYR 0.822963 0.04246 87 ALA 0.817902 0.04992 89 LEU 0.745822 0.05089 90 GLU 0.760005 0.03423 91 ASP 0.88363 0.03842 93 LEU 0.876477 0.05433 95 HIS 0.757819 0.03764 96 LEU 0.725902 0.04725 98 GLU 0.783823 0.03595 99 VAL 0.844209 0.05058 100 ILE 0.702421 0.04825 105 GLN 0.698106 0.05377 109 ARG 0.758685 0.04719 110 GLU 0.762585 0.03511 113 LYS 0.885986 0.04276 115 ALA 0.785558 0.03995 117 GLN 0.856712 0.04185 118 ARG 0.771738 0.03818 120 PHE 0.716384 0.0348 121 ALA 0.781179 0.03918 128 ARG 0.884509 0.05265 129 LYS 0.8097 0.04054 130 ALA 0.83983 0.0399 131 TRP 0.817806 0.04507 132 ALA 0.882192 0.0561 133 SER 0.827814 0.04286 134 GLY 0.850448 0.04656 135 GLN 0.962538 0.05435 136 SER 0.831854 0.04182 139 LEU 0.892853 0.04891 141 GLY 0.835933 0.04306 143 LEU 0.840863 0.04778 144 LEU 0.862348 0.05733 145 LEU 0.839847 0.05302 146 LEU 0.830626 0.05134 147 LEU 0.845154 0.0526 148 GLU 0.925511 0.04539 149 ALA 0.788928 0.04616 151 GLY 0.861918 0.04792 152 LEU 0.785396 0.03392 153 GLY 0.771728 0.04557 154 SER 0.825421 0.05714 155 VAL 0.837094 0.0491 166 ARG 0.798724 0.04131 168 ILE 0.908521 0.05319 169 LEU 0.855535 0.05095 170 GLY 0.838892 0.03841 175 ALA 0.807739 0.03819 180 LEU 0.783601 0.03736 181 VAL 0.750448 0.04468 182 ALA 0.887933 0.0513 183 LEU 0.859291 0.04465 184 GLY 0.855202 0.04935 185 TYR 0.874915 0.05445 187 ALA 0.87931 0.06232 188 GLU 0.7825 0.03025 190 GLY 0.737456 0.03771 191 TYR 0.691924 0.0298 193 SER 0.658108 0.03636 196 LEU 0.766099 0.0632 199 GLU 0.822565 0.03807 200 ARG 0.826287 0.04204 201 VAL 0.777054 0.05128 202 VAL 0.788235 0.03644 203 LEU 0.852802 0.05157 204 TRP 0.805427 0.04209 205 ARG 0.796204 0.05077 stop_ save_ save_heteronuclear_noe_list_3 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label {1H}NOE stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name 'NOX, 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 9 ASP 0.885425 0.08025 13 ALA 0.782832 0.06223 14 ALA 1.018188 0.09628 15 LEU 1.009094 0.10644 16 LYS 0.753019 0.10508 17 ARG 0.874147 0.09739 20 ILE 0.784512 0.11758 23 TYR 0.910675 0.05268 24 ARG 1.110861 0.18171 26 ASP 0.881682 0.13575 28 VAL 0.680595 0.07923 32 LEU 0.765612 0.08345 34 ARG 0.817578 0.09183 40 ALA 0.527391 0.06577 42 ARG 0.831929 0.09518 43 ALA 0.712939 0.06337 45 SER 0.739783 0.08352 48 ASN 0.858278 0.09507 50 GLN 1.054095 0.16361 52 TRP 0.878715 0.06742 54 ILE 0.822385 0.08442 55 VAL 0.962051 0.10568 56 VAL 0.918418 0.12206 57 VAL 0.787783 0.10771 62 THR 0.898497 0.04717 63 LYS 0.951721 0.07248 64 ARG 0.84163 0.06749 65 ALA 0.864733 0.08646 66 LEU 0.841621 0.12207 67 ARG 0.843055 0.0751 70 ALA 0.818341 0.09956 76 VAL 0.661684 0.09982 79 ALA 0.682575 0.06826 81 VAL 0.746405 0.08171 82 VAL 0.887345 0.13309 85 LEU 0.751752 0.09564 86 TYR 0.870434 0.10116 87 ALA 0.964447 0.0939 89 LEU 0.906127 0.13928 90 GLU 0.963784 0.10929 91 ASP 0.926081 0.07673 93 LEU 0.709822 0.07422 95 HIS 0.757573 0.06892 96 LEU 0.892704 0.21925 98 GLU 0.721644 0.12234 99 VAL 1.117228 0.16018 100 ILE 0.717694 0.16148 110 GLU 0.948345 0.12706 113 LYS 0.980709 0.11299 115 ALA 0.77391 0.05892 117 GLN 0.913206 0.14019 118 ARG 0.724937 0.06324 120 PHE 0.687183 0.0763 121 ALA 0.819494 0.08178 128 ARG 0.718141 0.08955 129 LYS 0.838711 0.12798 130 ALA 0.772807 0.06586 131 TRP 0.601111 0.05852 132 ALA 0.757643 0.0987 133 SER 0.702029 0.08297 134 GLY 0.848253 0.08539 135 GLN 0.975253 0.1184 136 SER 0.896037 0.09293 141 GLY 1.004688 0.09852 143 LEU 1.420381 0.15643 144 LEU 1.005088 0.11082 145 LEU 0.987267 0.09791 146 LEU 0.802338 0.10858 147 LEU 0.754562 0.08063 148 GLU 0.844576 0.09507 149 ALA 0.976853 0.12256 151 GLY 0.905992 0.10715 152 LEU 0.978215 0.07728 153 GLY 0.86896 0.09758 154 SER 1.569805 0.21909 155 VAL 1.041063 0.15041 166 ARG 0.944766 0.14327 168 ILE 0.838637 0.11059 169 LEU 0.835158 0.10197 170 GLY 0.920828 0.07638 175 ALA 0.831043 0.08699 180 LEU 0.97129 0.07761 181 VAL 0.987539 0.12434 182 ALA 0.75059 0.09105 183 LEU 0.88051 0.11235 184 GLY 0.808608 0.11551 185 TYR 1.004466 0.11712 187 ALA 0.810122 0.10773 188 GLU 0.74005 0.0632 190 GLY 0.69688 0.07118 191 TYR 0.675407 0.06641 199 GLU 0.826405 0.08174 200 ARG 0.733144 0.06454 201 VAL 0.936913 0.11724 202 VAL 0.790281 0.06059 203 LEU 0.723385 0.09423 204 TRP 0.691917 0.07687 205 ARG 0.838632 0.09301 stop_ save_ save_order_parameter_list_1 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $15N_no_urea $15N_no_urea $15N_no_urea stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name 'NOX, 1' _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 9 ASP N . 0.901145 0.016464 . . . . . . . . . . . . 11 LYS N . 0.931721 0.024611 . . . . . . . . . . . . 12 THR N . 0.944140 0.019414 . . . . . . . . . . . . 13 ALA N . 0.982248 0.014169 . . . . . . . . . . . . 14 ALA N . 0.954298 0.013065 . . . . . . . . . . . . 15 LEU N . 0.954693 0.020144 . . . . . . . . . . . . 16 LYS N . 0.944031 0.016154 . . . . . . . . . . . . 17 ARG N . 0.981653 0.015264 . . . . . . . . . . . . 19 SER N . 0.908220 0.032631 . . . . . . . . . . . . 20 ILE N . 0.946669 0.030887 . . . . . . . . . . . . 21 ARG N . 0.908363 0.020078 . . . . . . . . . . . . 22 ARG N . 0.873454 0.026212 . . . . . . . . . . . . 23 TYR N . 0.906062 0.020359 . . . . . . . . . . . . 24 ARG N . 0.941372 0.020967 . . . . . . . . . . . . 26 ASP N . 0.864767 0.021000 . . . . . . . . . . . . 28 VAL N . 0.837638 0.019713 . . . . . . . . . . . . 32 LEU N . 0.912400 0.024059 . . . . . . . . . . . . 34 ARG N . 0.931038 0.021743 . . . . . . . . . . . . 40 ALA N . 0.965687 0.015548 . . . . . . . . . . . . 42 ARG N . 0.933490 0.016871 . . . . . . . . . . . . 43 ALA N . 0.966214 0.017117 . . . . . . . . . . . . 45 SER N . 0.915297 0.027836 . . . . . . . . . . . . 48 ASN N . 0.975333 0.018644 . . . . . . . . . . . . 50 GLN N . 0.950358 0.025008 . . . . . . . . . . . . 52 TRP N . 0.928352 0.027834 . . . . . . . . . . . . 54 ILE N . 0.925004 0.023455 . . . . . . . . . . . . 55 VAL N . 0.905833 0.012116 . . . . . . . . . . . . 56 VAL N . 0.962162 0.018765 . . . . . . . . . . . . 57 VAL N . 0.889563 0.016957 . . . . . . . . . . . . 58 ARG N . 0.936178 0.022572 . . . . . . . . . . . . 62 THR N . 0.930450 0.019001 . . . . . . . . . . . . 63 LYS N . 0.910761 0.016074 . . . . . . . . . . . . 64 ARG N . 0.948369 0.018676 . . . . . . . . . . . . 65 ALA N . 0.929287 0.009822 . . . . . . . . . . . . 66 LEU N . 0.962183 0.021055 . . . . . . . . . . . . 67 ARG N . 0.931333 0.019486 . . . . . . . . . . . . 70 ALA N . 0.916416 0.014949 . . . . . . . . . . . . 71 PHE N . 0.921444 0.016810 . . . . . . . . . . . . 72 GLY N . 0.951846 0.030687 . . . . . . . . . . . . 73 GLN N . 0.957545 0.024440 . . . . . . . . . . . . 74 ALA N . 0.973277 0.023626 . . . . . . . . . . . . 75 HIS N . 0.946660 0.015970 . . . . . . . . . . . . 76 VAL N . 0.968792 0.018366 . . . . . . . . . . . . 78 GLU N . 0.930620 0.015508 . . . . . . . . . . . . 79 ALA N . 0.943011 0.010627 . . . . . . . . . . . . 81 VAL N . 0.908016 0.013938 . . . . . . . . . . . . 82 VAL N . 0.929510 0.018110 . . . . . . . . . . . . 85 LEU N . 0.967828 0.015270 . . . . . . . . . . . . 86 TYR N . 0.959364 0.017259 . . . . . . . . . . . . 87 ALA N . 0.933962 0.021850 . . . . . . . . . . . . 89 LEU N . 0.936824 0.014916 . . . . . . . . . . . . 90 GLU N . 0.924408 0.015005 . . . . . . . . . . . . 91 ASP N . 0.922072 0.019055 . . . . . . . . . . . . 93 LEU N . 0.964140 0.024366 . . . . . . . . . . . . 95 HIS N . 0.883060 0.017227 . . . . . . . . . . . . 96 LEU N . 0.922434 0.022945 . . . . . . . . . . . . 98 GLU N . 0.917790 0.020664 . . . . . . . . . . . . 99 VAL N . 0.913439 0.016499 . . . . . . . . . . . . 100 ILE N . 0.932859 0.015087 . . . . . . . . . . . . 105 GLN N . 0.756292 0.034318 . . . . . . . . . . . . 109 ARG N . 0.894181 0.029183 . . . . . . . . . . . . 110 GLU N . 0.937367 0.014646 . . . . . . . . . . . . 113 LYS N . 0.955481 0.015404 . . . . . . . . . . . . 115 ALA N . 0.952810 0.012227 . . . . . . . . . . . . 117 GLN N . 0.979446 0.011946 . . . . . . . . . . . . 118 ARG N . 0.918431 0.014749 . . . . . . . . . . . . 120 PHE N . 0.870311 0.014475 . . . . . . . . . . . . 121 ALA N . 0.889311 0.017705 . . . . . . . . . . . . 128 ARG N . 0.934702 0.019817 . . . . . . . . . . . . 129 LYS N . 0.943883 0.018937 . . . . . . . . . . . . 130 ALA N . 0.949880 0.017143 . . . . . . . . . . . . 131 TRP N . 0.950494 0.017450 . . . . . . . . . . . . 132 ALA N . 0.981265 0.016110 . . . . . . . . . . . . 133 SER N . 0.970979 0.021634 . . . . . . . . . . . . 134 GLY N . 0.957799 0.019407 . . . . . . . . . . . . 135 GLN N . 0.965250 0.019871 . . . . . . . . . . . . 136 SER N . 0.939898 0.018485 . . . . . . . . . . . . 139 LEU N . 0.976982 0.033664 . . . . . . . . . . . . 141 GLY N . 0.963451 0.016827 . . . . . . . . . . . . 143 LEU N . 0.958083 0.017974 . . . . . . . . . . . . 144 LEU N . 0.973921 0.017839 . . . . . . . . . . . . 145 LEU N . 0.980998 0.018802 . . . . . . . . . . . . 146 LEU N . 0.967617 0.017492 . . . . . . . . . . . . 147 LEU N . 0.949035 0.012780 . . . . . . . . . . . . 148 GLU N . 0.965209 0.015789 . . . . . . . . . . . . 149 ALA N . 0.957074 0.017081 . . . . . . . . . . . . 151 GLY N . 0.948799 0.017396 . . . . . . . . . . . . 152 LEU N . 0.935066 0.015933 . . . . . . . . . . . . 153 GLY N . 0.873341 0.016133 . . . . . . . . . . . . 154 SER N . 0.912121 0.018536 . . . . . . . . . . . . 155 VAL N . 0.954117 0.021428 . . . . . . . . . . . . 166 ARG N . 0.937477 0.018825 . . . . . . . . . . . . 168 ILE N . 0.969176 0.011769 . . . . . . . . . . . . 169 LEU N . 0.931496 0.019997 . . . . . . . . . . . . 170 GLY N . 0.936818 0.016109 . . . . . . . . . . . . 175 ALA N . 0.906352 0.019408 . . . . . . . . . . . . 180 LEU N . 0.937949 0.016180 . . . . . . . . . . . . 181 VAL N . 0.891552 0.013271 . . . . . . . . . . . . 182 ALA N . 0.959317 0.017403 . . . . . . . . . . . . 183 LEU N . 0.952000 0.017280 . . . . . . . . . . . . 184 GLY N . 0.902302 0.023081 . . . . . . . . . . . . 185 TYR N . 0.951611 0.020410 . . . . . . . . . . . . 187 ALA N . 0.940891 0.024765 . . . . . . . . . . . . 188 GLU N . 0.800279 0.012020 . . . . . . . . . . . . 190 GLY N . 0.828643 0.025448 . . . . . . . . . . . . 191 TYR N . 0.834688 0.020108 . . . . . . . . . . . . 193 SER N . 0.708582 0.027421 . . . . . . . . . . . . 196 LEU N . 0.963165 0.021929 . . . . . . . . . . . . 199 GLU N . 0.881673 0.015918 . . . . . . . . . . . . 200 ARG N . 0.924987 0.016498 . . . . . . . . . . . . 201 VAL N . 0.901637 0.021679 . . . . . . . . . . . . 202 VAL N . 0.903391 0.014050 . . . . . . . . . . . . 203 LEU N . 0.938902 0.019161 . . . . . . . . . . . . 204 TRP N . 0.865666 0.013123 . . . . . . . . . . . . 205 ARG N . 0.901373 0.010633 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_2 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $15N_no_urea $15N_no_urea $15N_no_urea stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name 'NOX, 1' _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 9 ASP N . 0.934005 0.018290 . . . . . . . . . . . . 13 ALA N . 0.948842 0.019230 . . . . . . . . . . . . 14 ALA N . 0.953668 0.010318 . . . . . . . . . . . . 15 LEU N . 0.924484 0.021247 . . . . . . . . . . . . 16 LYS N . 0.973554 0.019111 . . . . . . . . . . . . 17 ARG N . 1.000000 0.010136 . . . . . . . . . . . . 20 ILE N . 0.954512 0.010466 . . . . . . . . . . . . 22 ARG N . 0.905522 0.026839 . . . . . . . . . . . . 23 TYR N . 0.961312 0.014830 . . . . . . . . . . . . 24 ARG N . 0.989771 0.016262 . . . . . . . . . . . . 26 ASP N . 0.874636 0.025184 . . . . . . . . . . . . 28 VAL N . 0.844746 0.019280 . . . . . . . . . . . . 32 LEU N . 0.939588 0.025042 . . . . . . . . . . . . 34 ARG N . 0.962887 0.019736 . . . . . . . . . . . . 40 ALA N . 0.847615 0.020195 . . . . . . . . . . . . 42 ARG N . 0.941108 0.015705 . . . . . . . . . . . . 43 ALA N . 0.969437 0.017599 . . . . . . . . . . . . 45 SER N . 0.898083 0.026466 . . . . . . . . . . . . 48 ASN N . 0.969328 0.011794 . . . . . . . . . . . . 50 GLN N . 1.000000 0.020289 . . . . . . . . . . . . 52 TRP N . 0.941868 0.023593 . . . . . . . . . . . . 54 ILE N . 0.911549 0.012881 . . . . . . . . . . . . 55 VAL N . 0.904339 0.015355 . . . . . . . . . . . . 56 VAL N . 0.922713 0.010885 . . . . . . . . . . . . 57 VAL N . 0.933089 0.015911 . . . . . . . . . . . . 62 THR N . 0.945260 0.013236 . . . . . . . . . . . . 63 LYS N . 0.977511 0.005561 . . . . . . . . . . . . 64 ARG N . 0.955194 0.018083 . . . . . . . . . . . . 65 ALA N . 0.962571 0.015582 . . . . . . . . . . . . 66 LEU N . 0.943746 0.024854 . . . . . . . . . . . . 67 ARG N . 0.964881 0.008705 . . . . . . . . . . . . 70 ALA N . 0.964813 0.012353 . . . . . . . . . . . . 71 PHE N . 0.942631 0.016526 . . . . . . . . . . . . 76 VAL N . 0.970834 0.020030 . . . . . . . . . . . . 79 ALA N . 0.949635 0.016893 . . . . . . . . . . . . 81 VAL N . 0.888328 0.018622 . . . . . . . . . . . . 82 VAL N . 0.971973 0.015517 . . . . . . . . . . . . 85 LEU N . 0.962074 0.016836 . . . . . . . . . . . . 86 TYR N . 0.933302 0.021909 . . . . . . . . . . . . 87 ALA N . 0.984241 0.014992 . . . . . . . . . . . . 89 LEU N . 0.880508 0.026043 . . . . . . . . . . . . 90 GLU N . 0.937364 0.020953 . . . . . . . . . . . . 91 ASP N . 1.000000 0.004610 . . . . . . . . . . . . 93 LEU N . 0.880919 0.023750 . . . . . . . . . . . . 95 HIS N . 0.893950 0.016857 . . . . . . . . . . . . 96 LEU N . 0.903399 0.021818 . . . . . . . . . . . . 98 GLU N . 0.937395 0.008718 . . . . . . . . . . . . 99 VAL N . 0.958235 0.018625 . . . . . . . . . . . . 100 ILE N . 0.999905 0.009839 . . . . . . . . . . . . 110 GLU N . 0.950843 0.008611 . . . . . . . . . . . . 113 LYS N . 0.901122 0.024932 . . . . . . . . . . . . 115 ALA N . 0.953612 0.019807 . . . . . . . . . . . . 117 GLN N . 0.952967 0.019612 . . . . . . . . . . . . 118 ARG N . 0.966039 0.014698 . . . . . . . . . . . . 120 PHE N . 0.866106 0.016883 . . . . . . . . . . . . 121 ALA N . 0.962150 0.016263 . . . . . . . . . . . . 128 ARG N . 0.938696 0.022623 . . . . . . . . . . . . 129 LYS N . 0.921445 0.036673 . . . . . . . . . . . . 130 ALA N . 0.950908 0.015239 . . . . . . . . . . . . 131 TRP N . 0.897496 0.019440 . . . . . . . . . . . . 132 ALA N . 0.983273 0.006475 . . . . . . . . . . . . 133 SER N . 0.912839 0.024597 . . . . . . . . . . . . 134 GLY N . 0.916668 0.018190 . . . . . . . . . . . . 135 GLN N . 0.954968 0.022501 . . . . . . . . . . . . 136 SER N . 0.956581 0.015845 . . . . . . . . . . . . 141 GLY N . 0.885104 0.013471 . . . . . . . . . . . . 142 TYR N . 0.969607 0.016640 . . . . . . . . . . . . 143 LEU N . 0.956265 0.013913 . . . . . . . . . . . . 144 LEU N . 0.949982 0.014709 . . . . . . . . . . . . 145 LEU N . 1.000000 0.001072 . . . . . . . . . . . . 146 LEU N . 0.937215 0.026047 . . . . . . . . . . . . 147 LEU N . 0.928849 0.022246 . . . . . . . . . . . . 148 GLU N . 1.000000 0.013836 . . . . . . . . . . . . 149 ALA N . 1.000000 0.006136 . . . . . . . . . . . . 151 GLY N . 0.934164 0.015092 . . . . . . . . . . . . 152 LEU N . 0.945915 0.015796 . . . . . . . . . . . . 153 GLY N . 0.891504 0.022290 . . . . . . . . . . . . 154 SER N . 0.961207 0.019107 . . . . . . . . . . . . 155 VAL N . 0.976565 0.013492 . . . . . . . . . . . . 166 ARG N . 0.929208 0.034735 . . . . . . . . . . . . 168 ILE N . 0.928337 0.018208 . . . . . . . . . . . . 169 LEU N . 0.914805 0.020278 . . . . . . . . . . . . 170 GLY N . 0.909718 0.010127 . . . . . . . . . . . . 175 ALA N . 0.952917 0.017772 . . . . . . . . . . . . 180 LEU N . 0.929123 0.019273 . . . . . . . . . . . . 181 VAL N . 0.870276 0.012753 . . . . . . . . . . . . 182 ALA N . 0.981924 0.013522 . . . . . . . . . . . . 183 LEU N . 0.988821 0.012849 . . . . . . . . . . . . 184 GLY N . 0.819628 0.032776 . . . . . . . . . . . . 185 TYR N . 1.000000 0.024043 . . . . . . . . . . . . 187 ALA N . 0.931207 0.025357 . . . . . . . . . . . . 188 GLU N . 0.847431 0.015029 . . . . . . . . . . . . 190 GLY N . 0.835847 0.014969 . . . . . . . . . . . . 191 TYR N . 0.791212 0.015299 . . . . . . . . . . . . 199 GLU N . 0.897874 0.016933 . . . . . . . . . . . . 200 ARG N . 0.924006 0.017561 . . . . . . . . . . . . 201 VAL N . 0.864149 0.023601 . . . . . . . . . . . . 202 VAL N . 0.931955 0.021652 . . . . . . . . . . . . 203 LEU N . 0.919580 0.017096 . . . . . . . . . . . . 204 TRP N . 0.873487 0.014532 . . . . . . . . . . . . 205 ARG N . 0.928091 0.013133 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_