data_26713 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*27:09 in complex with the peptide TIS ; _BMRB_accession_number 26713 _BMRB_flat_file_name bmr26713.str _Entry_type original _Submission_date 2015-12-05 _Accession_date 2015-12-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Relaxation and model-free data from beta-2-microglobulin and the heavy chain of the MHC class I complex HLA-B*27:09 in complex with the nonamer peptide TIS (RRLPIFSRL). ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ballaschk Martin . . 2 Ziegler Andreas . . 3 Uchanska-Ziegler Barbara . . 4 Diehl Anne . . 5 Schmieder Peter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 6 S2_parameters 3 stop_ loop_ _Data_type _Data_type_count "chemical shift anisotropy values" 245 "order parameters" 245 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-22 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19116 'Chemical shifts for the beta-2 Microglobulin subunit of HLA-B*27:09/TIS' 25715 'Chemical shifts for the heavy chain of of HLA-B*27:09/TIS' 26710 'Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*27:05 in complex with the peptide pVIPR' 26711 'Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*27:05 in complex with the peptide TIS' 26712 'Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*27:09 in complex with the peptide pVIPR' 26714 'Relaxation and model-free data from human beta-2-microglobulin' stop_ _Original_release_date 2015-12-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation_1 _Saveframe_category entry_citation _Citation_full ; Horne J, d Auvergne EJ, Coles M, Velkov T, Chin Y, Charman WN, et al. Probing the Flexibility of the DsbA Oxidoreductase from Vibrio cholerae a 15N - 1H Heteronuclear NMR Relaxation Analysis of Oxidized and Reduced Forms of DsbA. J Mol Biol. 2007 Aug;371(3):703 16. ; _Citation_title ; Flexibility of the DsbA Oxidoreductase from Vibrio cholerae - a 15N - 1H Heteronuclear NMR Relaxation Analysis of Oxidized and Reduced Forms of DsbA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Horne James H. . 2 d'Auvergne Edward J. . 3 Coles Murray H . 4 Velkov Tony H . 5 Chen Yanni H . 6 Charman William N. . 7 Prankerd Richard H . 8 Gooley Paul R. . 9 J. Martin Scanlon . stop_ _Journal_abbreviation 'J Mol Biol' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 371 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 703 _Page_last 716 _Year 2007 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_entry_citation_2 _Saveframe_category citation _Citation_full ; d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic models I. Minimisation algorithms and their performance within the model-free and Brownian rotational diffusion spaces. J. Biomol. NMR, 40(2), 107-119. ; _Citation_title ; Optimisation of NMR dynamic models I. Minimisation algorithms and their performance within the model-free and Brownian rotational diffusion spaces. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18085410 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 d'Auvergne Edward J. . 2 Gooley Paul R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 40 _Journal_issue 2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 107 _Page_last 119 _Year 2008 _Details . save_ save_entry_citation_3 _Saveframe_category citation _Citation_full ; d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. J. Biomol. NMR, 40(2), 121-133. ; _Citation_title ; Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18085411 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 d'Auvergne Edward J. . 2 Gooley Paul R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 40 _Journal_issue 2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 121 _Page_last 133 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name B2705/TIS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'heavy chain' $1w0w-hkca_mol1 b2m $1w0w-hkca_mol2 TIS $1w0w-hkca_mol3 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_1w0w-hkca_mol1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 1w0w-hkca_mol1 _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 292 _Mol_residue_sequence ; MAHHHHHHVDDDDKIGSHSM RYFHTSVSRPGRGEPRFITV GYVDDTLFVRFDSDAASPRE EPRAPWIEQEGPEYWDRETQ ICKAKAQTDREDLRTLLRYY NQSEAGSHTLQNMYGCDVGP DGRLLRGYHQHAYDGKDYIA LNEDLSSWTAADTAAQITQR KWEAARVAEQLRAYLEGECV EWLRRYLENGKETLQRADPP KTHVTHHPISDHEATLRCWA LGFYPAEITLTWQRDGEDQT QDTELVETRPAGDRTFQKWA AVVVPSGEEQRYTCHVQHEG LPKPLTLRWEPS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -14 MET 2 -13 ALA 3 -12 HIS 4 -11 HIS 5 -10 HIS 6 -9 HIS 7 -8 HIS 8 -7 HIS 9 -6 VAL 10 -5 ASP 11 -4 ASP 12 -3 ASP 13 -2 ASP 14 -1 LYS 15 0 ILE 16 1 GLY 17 2 SER 18 3 HIS 19 4 SER 20 5 MET 21 6 ARG 22 7 TYR 23 8 PHE 24 9 HIS 25 10 THR 26 11 SER 27 12 VAL 28 13 SER 29 14 ARG 30 15 PRO 31 16 GLY 32 17 ARG 33 18 GLY 34 19 GLU 35 20 PRO 36 21 ARG 37 22 PHE 38 23 ILE 39 24 THR 40 25 VAL 41 26 GLY 42 27 TYR 43 28 VAL 44 29 ASP 45 30 ASP 46 31 THR 47 32 LEU 48 33 PHE 49 34 VAL 50 35 ARG 51 36 PHE 52 37 ASP 53 38 SER 54 39 ASP 55 40 ALA 56 41 ALA 57 42 SER 58 43 PRO 59 44 ARG 60 45 GLU 61 46 GLU 62 47 PRO 63 48 ARG 64 49 ALA 65 50 PRO 66 51 TRP 67 52 ILE 68 53 GLU 69 54 GLN 70 55 GLU 71 56 GLY 72 57 PRO 73 58 GLU 74 59 TYR 75 60 TRP 76 61 ASP 77 62 ARG 78 63 GLU 79 64 THR 80 65 GLN 81 66 ILE 82 67 CYS 83 68 LYS 84 69 ALA 85 70 LYS 86 71 ALA 87 72 GLN 88 73 THR 89 74 ASP 90 75 ARG 91 76 GLU 92 77 ASP 93 78 LEU 94 79 ARG 95 80 THR 96 81 LEU 97 82 LEU 98 83 ARG 99 84 TYR 100 85 TYR 101 86 ASN 102 87 GLN 103 88 SER 104 89 GLU 105 90 ALA 106 91 GLY 107 92 SER 108 93 HIS 109 94 THR 110 95 LEU 111 96 GLN 112 97 ASN 113 98 MET 114 99 TYR 115 100 GLY 116 101 CYS 117 102 ASP 118 103 VAL 119 104 GLY 120 105 PRO 121 106 ASP 122 107 GLY 123 108 ARG 124 109 LEU 125 110 LEU 126 111 ARG 127 112 GLY 128 113 TYR 129 114 HIS 130 115 GLN 131 116 HIS 132 117 ALA 133 118 TYR 134 119 ASP 135 120 GLY 136 121 LYS 137 122 ASP 138 123 TYR 139 124 ILE 140 125 ALA 141 126 LEU 142 127 ASN 143 128 GLU 144 129 ASP 145 130 LEU 146 131 SER 147 132 SER 148 133 TRP 149 134 THR 150 135 ALA 151 136 ALA 152 137 ASP 153 138 THR 154 139 ALA 155 140 ALA 156 141 GLN 157 142 ILE 158 143 THR 159 144 GLN 160 145 ARG 161 146 LYS 162 147 TRP 163 148 GLU 164 149 ALA 165 150 ALA 166 151 ARG 167 152 VAL 168 153 ALA 169 154 GLU 170 155 GLN 171 156 LEU 172 157 ARG 173 158 ALA 174 159 TYR 175 160 LEU 176 161 GLU 177 162 GLY 178 163 GLU 179 164 CYS 180 165 VAL 181 166 GLU 182 167 TRP 183 168 LEU 184 169 ARG 185 170 ARG 186 171 TYR 187 172 LEU 188 173 GLU 189 174 ASN 190 175 GLY 191 176 LYS 192 177 GLU 193 178 THR 194 179 LEU 195 180 GLN 196 181 ARG 197 182 ALA 198 183 ASP 199 184 PRO 200 185 PRO 201 186 LYS 202 187 THR 203 188 HIS 204 189 VAL 205 190 THR 206 191 HIS 207 192 HIS 208 193 PRO 209 194 ILE 210 195 SER 211 196 ASP 212 197 HIS 213 198 GLU 214 199 ALA 215 200 THR 216 201 LEU 217 202 ARG 218 203 CYS 219 204 TRP 220 205 ALA 221 206 LEU 222 207 GLY 223 208 PHE 224 209 TYR 225 210 PRO 226 211 ALA 227 212 GLU 228 213 ILE 229 214 THR 230 215 LEU 231 216 THR 232 217 TRP 233 218 GLN 234 219 ARG 235 220 ASP 236 221 GLY 237 222 GLU 238 223 ASP 239 224 GLN 240 225 THR 241 226 GLN 242 227 ASP 243 228 THR 244 229 GLU 245 230 LEU 246 231 VAL 247 232 GLU 248 233 THR 249 234 ARG 250 235 PRO 251 236 ALA 252 237 GLY 253 238 ASP 254 239 ARG 255 240 THR 256 241 PHE 257 242 GLN 258 243 LYS 259 244 TRP 260 245 ALA 261 246 ALA 262 247 VAL 263 248 VAL 264 249 VAL 265 250 PRO 266 251 SER 267 252 GLY 268 253 GLU 269 254 GLU 270 255 GLN 271 256 ARG 272 257 TYR 273 258 THR 274 259 CYS 275 260 HIS 276 261 VAL 277 262 GLN 278 263 HIS 279 264 GLU 280 265 GLY 281 266 LEU 282 267 PRO 283 268 LYS 284 269 PRO 285 270 LEU 286 271 THR 287 272 LEU 288 273 ARG 289 274 TRP 290 275 GLU 291 276 PRO 292 277 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_1w0w-hkca_mol2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 1w0w-hkca_mol2 _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . _Residue_count 100 _Mol_residue_sequence ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 ILE 3 2 GLN 4 3 ARG 5 4 THR 6 5 PRO 7 6 LYS 8 7 ILE 9 8 GLN 10 9 VAL 11 10 TYR 12 11 SER 13 12 ARG 14 13 HIS 15 14 PRO 16 15 ALA 17 16 GLU 18 17 ASN 19 18 GLY 20 19 LYS 21 20 SER 22 21 ASN 23 22 PHE 24 23 LEU 25 24 ASN 26 25 CYS 27 26 TYR 28 27 VAL 29 28 SER 30 29 GLY 31 30 PHE 32 31 HIS 33 32 PRO 34 33 SER 35 34 ASP 36 35 ILE 37 36 GLU 38 37 VAL 39 38 ASP 40 39 LEU 41 40 LEU 42 41 LYS 43 42 ASN 44 43 GLY 45 44 GLU 46 45 ARG 47 46 ILE 48 47 GLU 49 48 LYS 50 49 VAL 51 50 GLU 52 51 HIS 53 52 SER 54 53 ASP 55 54 LEU 56 55 SER 57 56 PHE 58 57 SER 59 58 LYS 60 59 ASP 61 60 TRP 62 61 SER 63 62 PHE 64 63 TYR 65 64 LEU 66 65 LEU 67 66 TYR 68 67 TYR 69 68 THR 70 69 GLU 71 70 PHE 72 71 THR 73 72 PRO 74 73 THR 75 74 GLU 76 75 LYS 77 76 ASP 78 77 GLU 79 78 TYR 80 79 ALA 81 80 CYS 82 81 ARG 83 82 VAL 84 83 ASN 85 84 HIS 86 85 VAL 87 86 THR 88 87 LEU 89 88 SER 90 89 GLN 91 90 PRO 92 91 LYS 93 92 ILE 94 93 VAL 95 94 LYS 96 95 TRP 97 96 ASP 98 97 ARG 99 98 ASP 100 99 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_1w0w-hkca_mol3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 1w0w-hkca_mol3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 9 _Mol_residue_sequence ; RRLPIFSRL ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 ARG 3 LEU 4 PRO 5 ILE 6 PHE 7 SER 8 ARG 9 LEU 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 $1w0w-hkca_mol1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $1w0w-hkca_mol1 'recombinant technology' . Escherichia coli BL21(DE3) Rosetta2 'pET 46 Ek/LIC' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $1w0w-hkca_mol1 0.330 mM '[U-15N; U-2H]' $1w0w-hkca_mol2 0.330 mM 'natural abundance' $1w0w-hkca_mol3 0.330 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $1w0w-hkca_mol1 0.330 mM [U-2H] $1w0w-hkca_mol2 0.330 mM [U-15N] $1w0w-hkca_mol3 0.330 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_relax _Saveframe_category software _Name relax _Version 'repository checkout' loop_ _Vendor _Address _Electronic_address 'The relax development team' . http://www.nmr-relax.com stop_ loop_ _Task 'data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 600 save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details 750 save_ ############################# # NMR applied experiments # ############################# save_600.18_MHz_R1_1 _Saveframe_category NMR_applied_experiment _Experiment_name '600.18 MHz R1' _Sample_label $sample_1 save_ save_600.18_MHz_R2_2 _Saveframe_category NMR_applied_experiment _Experiment_name '600.18 MHz R2' _Sample_label $sample_1 save_ save_600.18_MHz_steady-state_NOE_3 _Saveframe_category NMR_applied_experiment _Experiment_name '600.18 MHz steady-state NOE' _Sample_label $sample_1 save_ save_750.46_MHz_R1_4 _Saveframe_category NMR_applied_experiment _Experiment_name '750.46 MHz R1' _Sample_label $sample_1 save_ save_750.46_MHz_R2_5 _Saveframe_category NMR_applied_experiment _Experiment_name '750.46 MHz R2' _Sample_label $sample_1 save_ save_750.46_MHz_steady-state_NOE_6 _Saveframe_category NMR_applied_experiment _Experiment_name '750.46 MHz steady-state NOE' _Sample_label $sample_1 save_ save_600.18_MHz_R1_7 _Saveframe_category NMR_applied_experiment _Experiment_name '600.18 MHz R1' _Sample_label $sample_2 save_ save_600.18_MHz_R2_8 _Saveframe_category NMR_applied_experiment _Experiment_name '600.18 MHz R2' _Sample_label $sample_2 save_ save_600.18_MHz_steady-state_NOE_9 _Saveframe_category NMR_applied_experiment _Experiment_name '600.18 MHz steady-state NOE' _Sample_label $sample_2 save_ save_750.46_MHz_R1_10 _Saveframe_category NMR_applied_experiment _Experiment_name '750.46 MHz R1' _Sample_label $sample_2 save_ save_750.46_MHz_R2_11 _Saveframe_category NMR_applied_experiment _Experiment_name '750.46 MHz R2' _Sample_label $sample_2 save_ save_750.46_MHz_steady-state_NOE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '750.46 MHz steady-state NOE' _Sample_label $sample_2 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' 0.160 . M pH 7.5 . pH pressure 1 . atm temperature 310 . K stop_ save_ save_600.18_MHz_hetNOE_b2m _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $relax stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.18 _Mol_system_component_name b2m _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 GLN 0.417891849392 0.0861818420886 8 ILE 0.199121137248 0.0871049585429 9 GLN 0.967533199331 0.120081299848 12 SER 0.758576458374 0.0885928012164 13 ARG 0.906792951046 0.104877975996 14 HIS 0.791800830793 0.0673424544149 17 GLU 0.524720125224 0.0643336854395 19 GLY 0.665187658712 0.116622709007 20 LYS 0.780856226557 0.0418603942948 23 PHE 0.756140602471 0.0776401120014 25 ASN 1.03506915149 0.137002488115 26 CYS 1.06145160501 0.103591473456 27 TYR 0.835731890112 0.127554932158 29 SER 0.936279802113 0.108449679355 30 GLY 0.744289561833 0.0943868649762 31 PHE 0.693294006501 0.0656381543158 34 SER 0.90717950197 0.186137957878 35 ASP 0.773555228184 0.0437949234683 37 GLU 0.836057221902 0.0961745123317 38 VAL 0.745287069135 0.0722627043806 40 LEU 0.801869033563 0.0917892254978 41 LEU 0.814859397257 0.0921051913799 43 ASN 0.693721574516 0.0563792763692 44 GLY 0.738938232742 0.0714083569561 45 GLU 0.719066210165 0.0370504963528 46 ARG 0.697880707288 0.07864654506 47 ILE 0.87184842067 0.0924642751373 48 GLU 0.653139039196 0.0654259413896 49 LYS 0.362597560458 0.0501211996479 51 GLU 0.506910031138 0.0636826088716 52 HIS 0.75847176434 0.048467753013 53 SER 0.891567877913 0.124172425354 54 ASP 0.805645201674 0.141009297376 55 LEU 1.01887156234 0.115137635787 56 SER 0.863554393322 0.103905098558 57 PHE 0.665358437339 0.0574869317508 58 SER 0.77065411059 0.0944506504185 60 ASP 0.863430927365 0.0933031985525 61 TRP 0.6959140299 0.0818233989567 61 TRP 0.816532453504 0.0769786553136 62 SER 0.867993862952 0.0773272113742 63 PHE 0.584052681134 0.0965654437793 64 TYR 0.891659701199 0.0909843736303 65 LEU 0.757298124483 0.0970425479962 66 LEU 0.852683612252 0.121988714049 67 TYR 0.78359192852 0.110056830948 68 TYR 0.773240527962 0.0824146470887 69 THR 0.899159705625 0.0981379888443 70 GLU 0.748491639926 0.0552357564217 71 PHE 0.774311866427 0.0891430397718 72 THR 0.74747574441 0.0942283891529 74 THR 0.754999852026 0.0643258525382 75 GLU 1.00095878259 0.424692793035 76 LYS 0.588017923452 0.0711075980417 77 ASP 0.766860582119 0.0424776178961 79 TYR 0.820983616537 0.0751272165027 81 CYS 0.856078326557 0.0743529490936 82 ARG 0.869772254419 0.0780074535486 83 VAL 0.803835961222 0.0912361109932 84 ASN 0.768456279779 0.076797965026 85 HIS 0.827308198801 0.0534495886199 86 VAL 0.985556872558 0.0965183348169 87 THR 0.950224692811 0.111755009673 88 LEU 0.813954958038 0.0516664809906 90 GLN 0.711057325035 0.0292495290389 92 LYS 0.907561448916 0.0847994107899 93 ILE 0.734302310415 0.0445661644136 94 VAL 0.87796743508 0.078366011088 95 LYS 0.64351994491 0.0521552082665 96 TRP 0.938320604703 0.128350072156 96 TRP 0.653332813363 0.0660646974022 97 ASP 0.734743296374 0.078148590187 98 ARG 0.923659893029 0.170089330143 99 ASP 0.786679265825 0.0613592932025 100 MET 0.669450797283 0.0500426882059 stop_ save_ save_750.46_MHz_hetNOE_b2m _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $relax stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 750.46 _Mol_system_component_name b2m _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 GLN 0.481411187683 0.0538286239491 8 ILE 0.718093647326 0.0667716948984 9 GLN 0.836223779135 0.0638608038975 12 SER 0.712129103 0.0596921622121 13 ARG 0.730213416677 0.0569737576743 14 HIS 0.822432658081 0.045489544647 17 GLU 0.775515307449 0.0577979099416 19 GLY 0.75825307111 0.0707374296164 20 LYS 0.778670775893 0.0296316160442 23 PHE 0.677727497878 0.0558265809744 25 ASN 0.845286280558 0.0641052128572 26 CYS 0.771771553932 0.052368906007 27 TYR 0.761406956974 0.0766087557308 29 SER 0.803522969974 0.0623672008587 30 GLY 0.888372973703 0.0611875333122 31 PHE 0.75897102421 0.0396612357675 34 SER 0.907609704179 0.116778526849 35 ASP 0.684230250503 0.0264071321622 37 GLU 0.76898858904 0.0565210748802 38 VAL 0.844149823635 0.0480343779637 40 LEU 0.861944042791 0.0643418970866 41 LEU 0.811873398024 0.054320195955 43 ASN 0.866366283515 0.0470930262506 44 GLY 0.67607261257 0.0468737964033 45 GLU 0.757406494642 0.0253466954357 46 ARG 0.849121034494 0.065737462998 47 ILE 0.63156114215 0.0515623945416 48 GLU 0.60513489822 0.0410273816493 49 LYS 0.521131892785 0.0350859409588 51 GLU 0.545887296103 0.0429549697312 52 HIS 0.71647782895 0.0318247113925 53 SER 0.802668826664 0.0780059662757 54 ASP 0.712992177979 0.0952507226748 55 LEU 0.785737240545 0.0733252022959 56 SER 0.87183816497 0.059947126158 57 PHE 0.81622977112 0.0443847645172 58 SER 0.742716172965 0.0625377018432 60 ASP 0.688455202512 0.0494834701241 61 TRP 0.793388805321 0.0508569082862 61 TRP 0.803745328828 0.0579599988496 62 SER 0.827761039893 0.0494714088188 63 PHE 0.979933165622 0.0789099261062 64 TYR 0.924299313382 0.0623683047543 65 LEU 0.807826710282 0.0566487936542 66 LEU 0.810839740869 0.0703145360781 67 TYR 0.823511101627 0.0736750868071 68 TYR 0.832165318307 0.0507326520271 69 THR 0.910611922932 0.0621225984657 70 GLU 0.649095906496 0.0381711313127 71 PHE 0.708704274223 0.0491813579998 72 THR 0.75831873206 0.0540374124254 74 THR 0.734046703672 0.0399574907183 75 GLU 0.804427465532 0.23583555459 76 LYS 0.537830179132 0.0409009115663 77 ASP 0.809106907184 0.0292178672708 79 TYR 0.727274076137 0.0472403889158 81 CYS 0.751376883138 0.0415146645471 82 ARG 0.800228476622 0.0492974538952 83 VAL 0.779053826396 0.0583604498072 84 ASN 0.833790310914 0.0522835409278 85 HIS 0.815705704871 0.0314107445399 86 VAL 0.834811153935 0.0528439837577 87 THR 0.777042710518 0.0553209625763 88 LEU 0.758048016052 0.0327697539328 90 GLN 0.6562119657 0.018470328267 92 LYS 0.567701298166 0.0426495370468 93 ILE 0.654078420035 0.0294753912101 94 VAL 0.793600469147 0.055087411338 95 LYS 0.807653006198 0.0445257906446 96 TRP 0.731073539109 0.0595484540162 96 TRP 0.765130288935 0.0552075448511 97 ASP 0.671229388357 0.0471240284068 98 ARG 0.886642715967 0.0948230876809 99 ASP 0.693736488515 0.0346094224091 100 MET 0.695962510138 0.0353563157185 stop_ save_ save_600.18_MHz_hetNOE_top _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $relax stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.18 _Mol_system_component_name 'heavy chain' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 17 SER 0.451183166161 0.0503581806598 19 SER 0.829787788123 0.0594195547095 20 MET 0.774804538831 0.0824193181779 21 ARG 0.938260844384 0.110129282137 22 TYR 0.922054052708 0.0881447750496 23 PHE 0.865447799866 0.0648704377181 26 SER 0.841184191255 0.0772910176846 27 VAL 0.836724782769 0.064308060746 28 SER 0.815148281587 0.0820502436776 31 GLY 0.508332814627 0.129763812515 33 GLY 0.931884601334 0.0919832616648 34 GLU 0.619495692685 0.0640035071163 36 ARG 0.792461224452 0.057442848301 37 PHE 0.726412185234 0.0520008700356 38 ILE 0.867137011329 0.0758201919981 41 GLY 0.900798409428 0.0653133426542 42 TYR 0.804843034943 0.0421327625982 44 ASP 0.867792401489 0.0513274131235 45 ASP 0.832604761308 0.086790769273 46 THR 0.823925916634 0.0705689025624 47 LEU 0.757231487259 0.0384620761418 49 VAL 0.774352370255 0.0749019267055 50 ARG 0.567692848284 0.0367915623434 52 ASP 0.838675091395 0.0434586169523 53 SER 0.866264013071 0.0584007847439 54 ASP 0.769805725278 0.0657779126185 55 ALA 0.157224803251 0.0232489158557 56 ALA -0.449214049005 0.034147555629 57 SER 0.346682620202 0.0704009696107 63 ARG 0.864591579124 0.104749503276 64 ALA 0.83241240567 0.0801401665851 66 TRP 0.776369557666 0.0725033331863 67 ILE 0.800508714663 0.0779777822889 71 GLY 0.759679306497 0.0414398601686 73 GLU 0.77793743835 0.0606167190343 74 TYR 0.895786985913 0.0611290274434 78 GLU 0.835182827759 0.0172406621548 80 GLN 0.894679940119 0.07802225392 83 LYS 0.762789704081 0.0907106633313 86 ALA 0.812353151464 0.0807699558111 89 ASP 0.784226192729 0.089765909 90 ARG 0.848558952291 0.0806141920738 91 GLU 0.799180611183 0.0905518486737 93 LEU 0.327774599816 0.0307834284753 94 ARG 0.795922952623 0.0824375727839 99 TYR 0.779340966878 0.0529254264232 100 TYR 0.821442264953 0.0618805006295 102 GLN 0.776320141988 0.0483163709093 106 GLY -0.00744734094652 0.15970307119 107 SER 0.68300484393 0.0639639235263 108 HIS 0.615849340155 0.0548425713143 109 THR 0.831680106173 0.0739593348421 110 LEU 0.828185112334 0.0784742834964 111 GLN 0.850068718782 0.0766662520585 112 ASN 0.818195026245 0.0888880369676 113 MET 0.890126203109 0.118146446236 114 TYR 0.861138777158 0.0626467755415 115 GLY 0.788033806346 0.0727605832004 116 CYS 0.854004997495 0.105183229267 117 ASP 0.817530794688 0.0758808632803 118 VAL 0.870633520706 0.0582553857417 119 GLY 0.776630954879 0.0556087474551 121 ASP 0.637985542863 0.0543138399359 122 GLY 0.716746401322 0.0538455928449 125 LEU 0.776618424133 0.0959171220081 127 GLY 0.759780288154 0.0830829470573 130 GLN 0.736372303103 0.130648828075 131 HIS 0.75646570007 0.121731977415 133 TYR 0.649579106456 0.0591297303992 134 ASP 0.933829286008 0.0846303732804 135 GLY 0.881507060024 0.171213651187 138 TYR 0.651777545073 0.0828572478042 139 ILE 0.818927545197 0.0994131296684 140 ALA 0.889826561956 0.100157521762 141 LEU 0.888115572646 0.106122115599 142 ASN 0.77667107509 0.0524291835763 143 GLU 0.834084890116 0.0743440889173 144 ASP 0.795657506532 0.0536495258003 145 LEU 0.860902094989 0.0598670399976 146 SER 0.808007348073 0.0764364713421 147 SER 0.350232914736 0.10658686752 148 TRP 0.769093134308 0.0350283946133 149 THR 0.821708137292 0.0434262084199 150 ALA 0.882372179968 0.0808464882751 151 ALA 0.444637039858 0.0375898445126 152 ASP 0.660192317424 0.0446507490923 153 THR 0.760405685398 0.100185969549 154 ALA 0.724285875534 0.0578028627608 156 GLN 0.822033999447 0.056600785763 157 ILE 0.804978815459 0.0711785287082 158 THR 0.755716417159 0.0756853681164 160 ARG 0.731735045234 0.0847505872446 161 LYS 0.828188432243 0.068494452428 162 TRP 1.06942465392 0.123516986073 163 GLU 0.942588383402 0.0780455662235 165 ALA 0.808590183741 0.0520747477919 166 ARG 0.772652815856 0.0487274141325 167 VAL 0.8092768018 0.0471615959538 172 ARG 0.720828151777 0.0731896739314 173 ALA 0.764895689555 0.03307958771 176 GLU 0.723939119862 0.0723490383327 177 GLY 0.773538989783 0.0580154242337 178 GLU 0.656483377488 0.0733647360889 179 CYS 0.757372741975 0.0849743950888 180 VAL 0.659154321403 0.072769098856 181 GLU 0.827389229302 0.0739117824763 190 GLY 0.80514585908 0.0704991261022 191 LYS 0.715866035338 0.0549178755147 192 GLU 0.700619785995 0.0607633783514 193 THR 0.741342863602 0.0798676618636 stop_ save_ save_750.46_MHz_hetNOE_top _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $relax stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 750.46 _Mol_system_component_name 'heavy chain' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 17 SER 0.561726904361 0.0736208775692 19 SER 0.817174009809 0.0609195961844 20 MET 1.15798824793 0.14001196122 21 ARG 0.908156093242 0.142993005372 22 TYR 0.780669359158 0.108056225704 23 PHE 0.936283098282 0.0621994185612 26 SER 0.942607705346 0.120107920871 27 VAL 0.832370910057 0.0607420074165 28 SER 0.64381148612 0.0720995037584 31 GLY 0.128700122325 0.105341662639 33 GLY 1.03372135997 0.138427854479 34 GLU 0.686410179978 0.0591230685983 36 ARG 0.839210042384 0.0676965794516 37 PHE 0.797305673748 0.0574074235884 38 ILE 0.843374992986 0.0729700396623 41 GLY 0.899616398699 0.0652428015033 42 TYR 0.817054610115 0.0494835486529 44 ASP 0.793772623609 0.0510190396235 45 ASP 0.75595254139 0.0660737518209 46 THR 0.721845595177 0.067220192755 47 LEU 0.72502320238 0.0450659656432 49 VAL 0.880219843421 0.114745074372 50 ARG 0.649468788081 0.0373860560942 52 ASP 0.832421490154 0.0477836828977 53 SER 0.803575709266 0.0608321314319 54 ASP 0.888772876369 0.0784842628347 55 ALA 0.196680948458 0.0375401466927 56 ALA 0.324995407145 0.0587181812484 57 SER 0.339453857666 0.0727350757089 63 ARG 0.557170729408 0.0752017447189 64 ALA 0.86870362135 0.084111860297 66 TRP 0.798487696414 0.07604461241 67 ILE 0.886031077446 0.106597326771 71 GLY 0.780270765594 0.046819745689 73 GLU 0.808110662102 0.0639002094325 74 TYR 0.727984810078 0.0525549245106 78 GLU 0.807040246054 0.0159324289835 80 GLN 1.41709763026 0.145213959164 83 LYS 0.804968712194 0.137393585508 86 ALA 0.826268154937 0.0849120234937 89 ASP 0.929452346744 0.121976041354 90 ARG 0.90403522283 0.077517228582 91 GLU 0.951163467436 0.111192991035 93 LEU 0.462709876175 0.0362962725186 94 ARG 0.741014402219 0.0921137453607 99 TYR 0.928656298909 0.0590935819147 100 TYR 0.801694426601 0.0607113497093 102 GLN 0.840001015101 0.0570570919734 106 GLY 0.210312991182 0.143230777737 107 SER 0.724334795867 0.0951004389195 108 HIS 0.570540701344 0.053394047368 109 THR 0.805783406383 0.0689489493558 110 LEU 0.82055272049 0.140396413165 111 GLN 0.762998791714 0.105122788761 112 ASN 0.686703045389 0.127304054478 113 MET 1.11979463705 0.261404204934 114 TYR 0.867469312933 0.0739777594705 115 GLY 0.945521414985 0.138450474793 116 CYS 0.849819258113 0.111472393219 117 ASP 0.746910434807 0.0930951536594 118 VAL 0.789650830967 0.0527783881559 119 GLY 0.667248133987 0.0499961463901 121 ASP 0.750065168169 0.0573375016312 122 GLY 0.727083434595 0.0552409958377 125 LEU 0.709026513877 0.0757544536703 127 GLY 0.824442965761 0.107137417348 130 GLN 0.840606809237 0.196351348877 131 HIS 1.03303225818 0.372128070837 133 TYR 0.526433797904 0.0996758412682 134 ASP 0.862040538548 0.0958734192354 135 GLY 0.968605341507 0.242754406474 138 TYR 0.83868119726 0.0861254768796 139 ILE 0.762950172242 0.12167422937 140 ALA 0.701445727219 0.115076245263 141 LEU 0.800501771501 0.106476525145 142 ASN 0.744377432227 0.0610938571798 143 GLU 0.789804066046 0.0681587263633 144 ASP 0.795896780951 0.0495984758177 145 LEU 0.835460893674 0.0632543005672 146 SER 0.688600836824 0.073815070461 147 SER 0.238283344312 0.0989238695549 148 TRP 0.808238463735 0.0435366955186 149 THR 0.711430128764 0.0422112704321 150 ALA 0.870223143754 0.0975370566947 151 ALA 0.702929823469 0.0670717302545 152 ASP 0.781917481016 0.050343118226 153 THR 0.529475885113 0.0964495636686 154 ALA 0.721500971679 0.0507645101635 156 GLN 0.785270636303 0.0510494917321 157 ILE 0.717699859059 0.0553010177444 158 THR 0.82380577423 0.0773237957588 160 ARG 0.789352515908 0.0733938615531 161 LYS 0.777981873477 0.0630228024544 162 TRP 0.688466775842 0.282784263843 163 GLU 0.808233647527 0.0714433232119 165 ALA 0.784717623858 0.0487919400392 166 ARG 0.830737970293 0.0535856147181 167 VAL 0.911226190509 0.0538228723308 172 ARG 0.827811381838 0.13694989206 173 ALA 0.662630880941 0.0341972312193 176 GLU 0.7625496808 0.090741844726 177 GLY 0.699272584287 0.0556165099026 178 GLU 0.908137092225 0.134475710286 179 CYS 0.753927612485 0.124356754542 180 VAL 0.749716171127 0.072981595564 181 GLU 0.842266848354 0.0771068919527 190 GLY 0.678070302005 0.0631460920429 191 LYS 0.77581273946 0.0599330789123 192 GLU 0.800553005253 0.0797287659532 193 THR 0.60624526937 0.0948756461472 stop_ save_ save_600.18_MHz_hetNOE_bottom _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $relax stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.18 _Mol_system_component_name 'heavy chain' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 201 LYS 0.751029920388 0.040469416958 203 HIS 0.754752000421 0.0498583148871 206 HIS 0.788934054514 0.0220041000355 207 HIS . . 209 ILE 0.667920840657 0.0245013151044 210 SER 0.672834489651 0.0228278427584 212 HIS 0.723316930209 0.0711955294842 213 GLU 0.756054174055 0.0217636431637 214 ALA 0.791095441782 0.0167119176061 215 THR 0.739071889833 0.0215777215188 216 LEU 0.830520064124 0.0187015741593 218 CYS 0.801105489645 0.0362149043628 219 TRP 0.795759162906 0.0382819777447 220 ALA 0.897841612547 0.0454270498804 222 GLY 0.671800318715 0.033344726371 223 PHE 0.74480320161 0.0284587862238 228 ILE 0.786222910651 0.0378623945282 229 THR 0.591109753104 0.0334322922903 231 THR 0.743089813981 0.0397457919544 232 TRP 0.711815228396 0.0278104506745 233 GLN 0.777294690957 0.0203372824478 234 ARG 0.697663819141 0.0178382059396 235 ASP 0.740980707808 0.020343723727 236 GLY 0.743027897962 0.0284851076945 237 GLU 0.699341786488 0.0154181853396 242 ASP 0.536406468101 0.0443313079625 243 THR 0.608575525503 0.0439200895453 244 GLU 0.706417618503 0.039354907917 245 LEU 0.718580795886 0.0358819625612 246 VAL 0.581114234788 0.0402387937443 247 GLU 0.760900336197 0.0372981997993 249 ARG 0.820985193103 0.0532378706481 251 ALA 0.811159201149 0.0564389484194 252 GLY 0.811411989283 0.0759683249535 253 ASP 0.651737315062 0.070759814974 254 ARG 0.607588216612 0.0745108560595 255 THR 0.582134259423 0.0621908551111 257 GLN 0.766843902011 0.0363906556113 259 TRP 0.768618766248 0.0492265597401 261 ALA 0.837054540325 0.0477210901185 263 VAL 0.777734316687 0.0176588979449 267 GLY 0.751700532453 0.0173853084902 269 GLU 0.760780311123 0.0237247677886 270 GLN 0.721344218078 0.02025182495 271 ARG 0.761150005964 0.0211619175365 272 TYR 0.749397730572 0.0207477229072 273 THR 0.78447894742 0.0189524734352 274 CYS 0.811458817848 0.0238212583436 275 HIS 0.811975644241 0.0198248916505 276 VAL 0.798541293787 0.0249418727706 277 GLN 0.790566416491 0.0179603530479 278 HIS 0.68901268309 0.0369110363169 279 GLU 0.742809229099 0.0406047304517 280 GLY 0.818266111886 0.0691896941775 281 LEU 0.75136734435 0.0198828788204 285 LEU . . 287 LEU 0.768085964765 0.0158172026822 288 ARG 0.71695016403 0.0135901806401 289 TRP 0.648345179863 0.0151323854 290 GLU 0.306772343768 0.0104335582107 stop_ save_ save_750.46_MHz_hetNOE_bottom _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $relax stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 750.46 _Mol_system_component_name 'heavy chain' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 201 LYS 0.827326556513 0.0539680783869 203 HIS 0.767412953112 0.0509023182677 206 HIS 0.749678986284 0.0215188404526 207 HIS 0.799363506923 0.0183526168271 209 ILE 0.757135699016 0.0276455147038 210 SER 0.691180024025 0.020254859955 212 HIS 0.665403083181 0.0498121063492 213 GLU 0.748421087048 0.0195597269199 214 ALA 0.819880734062 0.016727199836 215 THR 0.809460541703 0.0299491376847 216 LEU 0.823455956849 0.0199616836551 218 CYS 0.816246519638 0.0396184250056 219 TRP 0.779504526715 0.042608065469 220 ALA 0.785909099357 0.0447732713907 222 GLY 0.600788068648 0.0369387999817 223 PHE 0.63454766372 0.0287944012425 228 ILE 0.813109602356 0.0412022357713 229 THR 0.60648516568 0.033729200782 231 THR 0.753019040476 0.0442001990248 232 TRP 0.777211525378 0.0357260424245 233 GLN 0.769977012171 0.0211981605493 234 ARG 0.737790526558 0.0198641224594 235 ASP 0.742171579956 0.0207393404614 236 GLY 0.713821125978 0.0264126282352 237 GLU 0.709593812706 0.0158294358782 242 ASP 0.61530987148 0.0524446163756 243 THR 0.560428763643 0.0360123171436 244 GLU 0.765089635512 0.0460960812918 245 LEU 0.754232856453 0.046017946333 246 VAL 0.60870694309 0.0444287414772 247 GLU 0.770779807823 0.039774815435 249 ARG 0.915576712336 0.0586310654175 251 ALA 0.804731424994 0.0572662587527 252 GLY 0.941295579333 0.101351275134 253 ASP 0.64773304654 0.0698018005505 254 ARG 0.768965060519 0.103096142625 255 THR 0.736220417993 0.0873719564002 257 GLN 0.796516046738 0.0404173553417 259 TRP 0.907751765575 0.0552739358577 261 ALA 0.814995245914 0.057982132443 263 VAL 0.729006579156 0.0195838784059 267 GLY 0.749874529806 0.0175210337332 269 GLU 0.784714919097 0.0244145468466 270 GLN 0.738320407151 0.0204062965314 271 ARG 0.788694889007 0.0192715623011 272 TYR 0.808388314469 0.0243056125575 273 THR 0.771045076931 0.0189383322514 274 CYS 0.811227473812 0.0251678182147 275 HIS 0.826066241255 0.0218455842335 276 VAL 0.834607162997 0.027533967433 277 GLN 0.806993544636 0.0190191725893 278 HIS 0.69203771227 0.0394266183256 279 GLU 0.734181186479 0.0455997424529 280 GLY 0.892426146268 0.0854578169242 281 LEU 0.790722319035 0.0212742511342 285 LEU 0.750024172119 0.0323794923414 287 LEU 0.813914044707 0.0161437412228 288 ARG 0.733405043353 0.0140230478718 289 TRP 0.657511781606 0.0160959662216 290 GLU 0.344996118765 0.0118289747379 stop_ save_ save_order_parameter_list_b2m _Saveframe_category S2_parameters _Details 'Bond_length_val: 1.02e-10.' loop_ _Software_label $relax stop_ loop_ _Experiment_label $600.18_MHz_R1_1 stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name b2m _Tau_e_value_units s _Tau_s_value_units s _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 3 GLN N 'S2f, S2, ts' 0.55786591383 0.0293993633977 . . 0.782985538942 0.0316971071765 0.712485590042 0.0271138535026 1.01497138865e-09 8.40865892189e-11 . . . . 8 ILE N 'S2f, S2, ts, Rex' -1.61355279661e-15 0.172303552699 . . 0.214923476113 0.143896518973 -9.42749210831e-13 0.310100728265 1.47959415415e-09 2.48712551092e-10 . . . . 9 GLN N S2 0.883541043788 0.0545758317532 . . . . . . . . . . . . 12 SER N 'S2, te' 0.821454686957 0.0469054670375 1.33575834323e-11 9.36158553867e-12 . . . . . . . . . . 14 HIS N S2 0.862219326713 0.0308184390535 . . . . . . . . . . . . 17 GLU N 'S2, te' 0.958218542202 0.0217888740185 4.98066331126e-10 3.15433830748e-10 . . . . . . . . . . 19 GLY N 'S2, te' 0.801948752383 0.0567174534735 1.19504347009e-11 1.06526238284e-11 . . . . . . . . . . 20 LYS N 'S2, te' 0.959185848433 0.0176868199406 4.34687438443e-11 1.55174833707e-10 . . . . . . . . . . 23 PHE N 'S2, te, Rex' 0.757004299542 0.0601061032667 1.22236726222e-11 6.17950355578e-12 . . . . . . . . . . 25 ASN N S2 0.904959866895 0.0567517257691 . . . . . . . . . . . . 26 CYS N S2 0.857867623513 0.0459651325984 . . . . . . . . . . . . 27 TYR N S2 0.754152848521 0.079478405113 . . . . . . . . . . . . 30 GLY N S2 0.845602150055 0.0452248791443 . . . . . . . . . . . . 31 PHE N 'S2f, S2, ts' 0.800537241415 0.0488578250155 . . 0.841773411333 0.0514200675815 0.951012743617 0.0264815096297 9.08912364316e-10 3.93604385585e-10 . . . . 35 ASP N 'S2, te' 0.862611129228 0.0154282100159 2.3096020869e-11 4.69084175723e-12 . . . . . . . . . . 37 GLU N 'S2, te, Rex' 0.77299748939 0.0592566754165 5.70354454373e-12 4.63854861422e-12 . . . . . . . . . . 38 VAL N 'S2f, S2, ts' 0.32894305115 0.0409215988699 . . 0.518932867086 0.0251953843917 0.633883633213 0.0972838013739 1.2171694087e-08 4.8251353956e-09 . . . . 40 LEU N S2 0.765675600967 0.0389100971036 . . . . . . . . . . . . 41 LEU N S2 0.912991809739 0.0479994354376 . . . . . . . . . . . . 43 ASN N 'S2, te' 0.969251467633 0.020905556932 1.05216383656e-09 1.79641333446e-09 . . . . . . . . . . 44 GLY N 'S2, te' 0.893066709652 0.0613974630772 3.61615794358e-11 2.0159661831e-10 . . . . . . . . . . 45 GLU N 'S2, te, Rex' 0.861811588467 0.0270787350409 1.63949572407e-11 4.88425030954e-12 . . . . . . . . . . 47 ILE N 'S2, te' 0.8537016838 0.0570789362393 2.64567062661e-11 6.80047957592e-11 . . . . . . . . . . 48 GLU N 'S2, te' 0.911780418533 0.0419258811403 6.29777516518e-11 1.39183372799e-10 . . . . . . . . . . 49 LYS N 'S2f, S2, ts' 0.63696358908 0.0246381373278 . . 0.707394271151 0.0348092762228 0.90043645398 0.0265646981644 4.85669902929e-10 1.20523463828e-10 . . . . 51 GLU N 'S2, te, Rex' 0.738394490689 0.043223559374 2.24811238281e-11 5.94545665687e-12 . . . . . . . . . . 52 HIS N 'S2, te' 0.832713427929 0.0208602427689 1.46114601397e-11 3.67888849749e-12 . . . . . . . . . . 56 SER N S2 0.85047543042 0.0485697035388 . . . . . . . . . . . . 57 PHE N 'S2f, S2, ts' 0.783186777451 0.0320861780648 . . 0.810179123201 0.0653762788916 0.966683483964 0.0504546760051 8.03555637499e-10 4.49393316322e-10 . . . . 58 SER N 'S2, te' 0.870570155022 0.0539618594751 1.76959143577e-11 1.04467480258e-10 . . . . . . . . . . 60 ASP N 'S2, te' 0.899405961333 0.0455946691565 2.67719793267e-11 1.42430541744e-10 . . . . . . . . . . 61 TRP N 'S2, te' 0.937873073445 0.0380671862694 2.91139647322e-11 2.20991638085e-10 . . . . . . . . . . 61 TRP NE1 S2 0.747817972907 0.030824652304 . . . . . . . . . . . . 62 SER N 'S2, Rex' 0.906522687425 0.0570241084946 . . . . . . . . . . . . 63 PHE N 'S2f, S2, ts' 0.49460557272 0.0659379134891 . . 0.627668461523 0.0421124108488 0.788004500848 0.095797312851 4.84598041846e-09 4.41516076436e-09 . . . . 64 TYR N 'S2, Rex' 0.814393415994 0.0675904402806 . . . . . . . . . . . . 65 LEU N 'S2f, S2, ts' 0.831259602796 0.0698261223993 . . 0.869894970548 0.0628835359123 0.955586169526 0.0306978641754 1.47436120344e-09 1.88888787205e-09 . . . . 67 TYR N S2 0.84124033766 0.0723280573357 . . . . . . . . . . . . 68 TYR N 'S2, Rex' 0.798189440106 0.049545056782 . . . . . . . . . . . . 69 THR N S2 0.908048930754 0.0456812035986 . . . . . . . . . . . . 70 GLU N 'S2, te' 0.87690351134 0.0253678123594 3.07041266666e-11 1.03045674295e-11 . . . . . . . . . . 71 PHE N 'S2, te' 0.879234610497 0.0474615272243 2.41439622903e-11 9.99188420326e-11 . . . . . . . . . . 72 THR N 'S2, te, Rex' 0.836125158577 0.0638065091835 1.28544304766e-11 6.68673362834e-11 . . . . . . . . . . 74 THR N 'S2, te, Rex' 0.807200496897 0.0446305130071 1.20308572286e-11 6.07633916865e-12 . . . . . . . . . . 76 LYS N 'S2, te' 0.843888295595 0.0367603887516 4.38953895932e-11 3.91392563927e-11 . . . . . . . . . . 77 ASP N 'S2, te' 0.952023026225 0.0216461377361 2.79479183613e-11 1.33999361055e-10 . . . . . . . . . . 79 TYR N 'S2, te, Rex' 0.811213418156 0.0515962906605 1.12632358972e-11 7.66346021665e-12 . . . . . . . . . . 81 CYS N 'S2, te' 0.915628304109 0.0357365264477 2.13317721981e-11 6.06512516419e-10 . . . . . . . . . . 83 VAL N S2 0.910023216352 0.0484279351334 . . . . . . . . . . . . 84 ASN N S2 0.90061257235 0.0399077178534 . . . . . . . . . . . . 85 HIS N S2 0.894224241376 0.0247951536586 . . . . . . . . . . . . 87 THR N S2 0.920075846687 0.046050130046 . . . . . . . . . . . . 88 LEU N 'S2, te, Rex' 0.912127019939 0.036001794272 1.98540229375e-11 7.08708845017e-11 . . . . . . . . . . 90 GLN N 'S2, te' 0.944246123159 0.0117905038778 9.55845759613e-11 6.12319442931e-11 . . . . . . . . . . 92 LYS N 'S2, te' 0.803805097257 0.0423782632466 2.10972361729e-11 7.39037266071e-12 . . . . . . . . . . 93 ILE N 'S2f, tf, S2, ts' 0.797961691821 0.0368507640658 . . 0.871338422592 0.026228470272 0.91578848256 0.0380466499342 8.01410535445e-09 5.78080052849e-09 . . . . 94 VAL N S2 0.923193106259 0.0447354332332 . . . . . . . . . . . . 95 LYS N 'S2f, S2, ts' 0.894696750047 0.0446134733258 . . 0.937101298816 0.0386541965958 0.954749237011 0.0165387999578 8.87621892322e-10 3.81722517924e-10 . . . . 96 TRP N 'S2, te, Rex' 0.730436834584 0.0694137076985 6.58892704325e-12 5.59261442981e-12 . . . . . . . . . . 96 TRP NE1 'S2f, S2, ts, Rex' 0.436626868083 0.224891892561 . . 0.501645789542 0.237265056952 0.870388782654 0.289745632757 1.48697882942e-09 1.08062117582e-09 . . . . 97 ASP N 'S2, te' 0.96254083022 0.0292213067851 1.2391702189e-10 2.52807556289e-10 . . . . . . . . . . 98 ARG N S2 0.758959369278 0.0753413294837 . . . . . . . . . . . . 99 ASP N 'S2, te' 0.919322611652 0.0242832287386 4.28570247004e-11 6.52800181506e-11 . . . . . . . . . . 100 MET N 'S2, te' 0.837839787326 0.0190257785217 2.23849956649e-11 4.7768771457e-12 . . . . . . . . . . stop_ save_ save_order_parameter_list_bottom _Saveframe_category S2_parameters _Details 'Bond_length_val: 1.02e-10.' loop_ _Software_label $relax stop_ loop_ _Experiment_label $600.18_MHz_R1_1 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name 'heavy chain' _Tau_e_value_units s _Tau_s_value_units s _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 201 LYS N 'S2, te, Rex' 0.6640872833 0.012320070788 3.41519006681e-12 1.88891879764e-12 . . . . . . . . . . 203 HIS N 'S2, te, Rex' 0.684121452984 0.0125078480495 5.57327799731e-12 2.20214296541e-12 . . . . . . . . . . 206 HIS N 'S2, te, Rex' 0.802159593292 0.00617719732036 1.0291959372e-11 1.89247689809e-12 . . . . . . . . . . 207 HIS N 'S2, te' 0.73216027503 0.00581065268493 7.58307837319e-12 1.75941485177e-12 . . . . . . . . . . 209 ILE N 'S2f, S2, ts' 0.845693069713 0.00766870418363 . . 0.871011267834 0.0538254597385 0.964522870152 0.049850466758 2.40546009284e-10 1.61156727415e-10 . . . . 210 SER N 'S2f, tf, S2, ts' 0.663775638188 0.00651268912291 . . 0.784821927048 0.0100611889235 0.8429088448 0.00797866656726 2.27492934588e-09 6.906269079e-10 . . . . 212 HIS N 'S2f, S2, ts' 0.709973702869 0.0221368091003 . . 0.794540544438 0.0199079050507 0.899001311071 0.0163747760865 1.09637010532e-09 2.33391207764e-10 . . . . 213 GLU N 'S2f, S2, ts' 0.804949355843 0.00576978413131 . . 0.851951375758 0.00510110777512 0.935399623187 0.00383650422614 1.0659496423e-09 1.21400363673e-10 . . . . 214 ALA N 'S2f, S2, ts' 0.854916846308 0.00531007931783 . . 0.863430551987 0.0691398472957 0.986388482246 0.0665046476273 1.58396129858e-10 3.70330661783e-10 . . . . 215 THR N 'S2, te, Rex' 0.702453785101 0.00674165492761 5.21241585887e-12 1.34681396177e-12 . . . . . . . . . . 216 LEU N 'S2, Rex' 0.828224300187 0.00575616727207 . . . . . . . . . . . . 218 CYS N 'S2, Rex' 0.701673612555 0.0117084146435 . . . . . . . . . . . . 219 TRP N 'S2, te, Rex' 0.634683733044 0.0115559613254 3.16885991549e-12 1.49904401311e-12 . . . . . . . . . . 220 ALA N 'S2, Rex' 0.670089051311 0.0103514499588 . . . . . . . . . . . . 222 GLY N 'S2, te, Rex' 0.656022855211 0.010310664101 1.25201660263e-11 1.36436915574e-12 . . . . . . . . . . 223 PHE N 'S2, te, Rex' 0.829036077043 0.0104465340195 2.37721321232e-11 3.12711186857e-12 . . . . . . . . . . 228 ILE N 'S2, te, Rex' 0.691602237941 0.00881301148389 3.60564019035e-12 1.81127168388e-12 . . . . . . . . . . 229 THR N 'S2f, S2, ts' 0.529790892118 0.00712544873535 . . 0.65123439169 0.00696038070771 0.825386047706 0.00697042034803 1.2276833403e-09 8.73942925135e-11 . . . . 231 THR N 'S2, te, Rex' 0.701482373238 0.0107099602988 6.90830891246e-12 2.08956336517e-12 . . . . . . . . . . 232 TRP N 'S2, te, Rex' 0.736461067759 0.00881990448308 8.87422318166e-12 1.81491489565e-12 . . . . . . . . . . 233 GLN N 'S2, te, Rex' 0.827065449234 0.00607248571399 1.0354398759e-11 2.10015397993e-12 . . . . . . . . . . 234 ARG N 'S2, te, Rex' 0.850669202469 0.00525743680827 2.20494688623e-11 2.43376068402e-12 . . . . . . . . . . 235 ASP N 'S2, te' 0.884937991236 0.00585942359104 2.63340341603e-11 3.79095118176e-12 . . . . . . . . . . 236 GLY N 'S2, te' 0.881392676161 0.00863552908325 2.84846346787e-11 4.94926071972e-12 . . . . . . . . . . 237 GLU N 'S2f, S2, ts' 0.85140610164 0.00499669898792 . . 0.899511069478 0.00392529678628 0.951765397197 0.00310343660677 6.72174281265e-10 5.63347917748e-11 . . . . 242 ASP N 'S2f, S2, ts, Rex' 0.748017320058 0.0527360551992 . . 0.799270192783 0.0904073819328 0.935895930962 0.0583435090925 3.08874762681e-10 2.620891019e-10 . . . . 243 THR N 'S2, te, Rex' 0.685798010641 0.00986121902783 1.96982181509e-11 1.98812918304e-12 . . . . . . . . . . 244 GLU N 'S2f, S2, ts, Rex' 0.556781809917 0.0968319762305 . . 0.606571955721 0.105468915753 0.917205173094 0.0902109234646 1.22684655942e-09 6.66959427682e-10 . . . . 245 LEU N 'S2, te, Rex' 0.685127948326 0.00873473012685 8.42326992945e-12 1.88216916357e-12 . . . . . . . . . . 246 VAL N 'S2, te, Rex' 0.647028821967 0.0094338909577 1.49685600794e-11 1.70551787019e-12 . . . . . . . . . . 247 GLU N 'S2, te, Rex' 0.734609932786 0.00917792896284 7.40022293056e-12 2.09024744102e-12 . . . . . . . . . . 249 ARG N 'S2, Rex' 0.734517004297 0.0139062783405 . . . . . . . . . . . . 251 ALA N 'S2, Rex' 0.70617046996 0.0121615635618 . . . . . . . . . . . . 252 GLY N 'S2, Rex' 0.745546000702 0.0244842533198 . . . . . . . . . . . . 253 ASP N 'S2, te, Rex' 0.732698358959 0.0209632483218 1.72649179258e-11 4.05280815427e-12 . . . . . . . . . . 254 ARG N 'S2f, S2, ts, Rex' 0.573141902217 0.123763585229 . . 0.634493117174 0.133687943332 0.90211353444 0.125645931884 9.57783128182e-10 1.01924066265e-09 . . . . 255 THR N 'S2f, S2, ts, Rex' 0.609987427621 0.15157670051 . . 0.713280648237 0.122891835456 0.855234670219 0.100796236352 1.09747023203e-09 5.22767422184e-10 . . . . 257 GLN N 'S2, te, Rex' 0.64691624632 0.010224825067 3.4320261967e-12 1.45463796789e-12 . . . . . . . . . . 259 TRP N 'S2, Rex' 0.628061472179 0.0106763098798 . . . . . . . . . . . . 261 ALA N 'S2, Rex' 0.643685346263 0.0158028852228 . . . . . . . . . . . . 263 VAL N 'S2, te, Rex' 0.779256952783 0.00572943935007 9.45994437144e-12 1.44979743629e-12 . . . . . . . . . . 267 GLY N 'S2f, tf, S2, ts' 0.824534489574 0.00615929298239 . . 0.830609858382 0.00821854774009 0.97641360206 0.00814033558291 1.84701550898e-09 2.17908660191e-09 . . . . 269 GLU N 'S2, te, Rex' 0.838090207201 0.00752994446616 1.199878604e-11 2.64997980642e-12 . . . . . . . . . . 270 GLN N 'S2, te' 0.865403627035 0.00539531754535 2.41357041092e-11 2.94454172512e-12 . . . . . . . . . . 271 ARG N 'S2, te' 0.896823952859 0.0048337285804 1.95488789974e-11 3.82771402436e-12 . . . . . . . . . . 272 TYR N 'S2f, S2, ts, Rex' 0.880139869408 0.0214288694876 . . 0.894967084321 0.054183331374 0.983513471075 0.0418895612531 3.1420498173e-10 3.48875343803e-10 . . . . 273 THR N 'S2, te, Rex' 0.851031066859 0.00531370710738 1.23656775498e-11 2.33718145254e-12 . . . . . . . . . . 274 CYS N 'S2, te, Rex' 0.821215092856 0.00829267624045 4.25403995607e-12 2.27777292177e-12 . . . . . . . . . . 275 HIS N 'S2, te, Rex' 0.880307198098 0.00627315420992 7.50970091359e-12 2.96666331631e-12 . . . . . . . . . . 276 VAL N 'S2, Rex' 0.86196749327 0.00814205802529 . . . . . . . . . . . . 277 GLN N 'S2, te, Rex' 0.85717339692 0.00505053248557 8.72294060989e-12 2.29346147069e-12 . . . . . . . . . . 278 HIS N 'S2, te, Rex' 0.696006039982 0.00948315713968 1.09336727938e-11 1.82532926001e-12 . . . . . . . . . . 279 GLU N 'S2, te, Rex' 0.774396398314 0.0122375246387 1.17385688955e-11 2.90688752511e-12 . . . . . . . . . . 280 GLY N 'S2, Rex' 0.694628462896 0.0183417667472 . . . . . . . . . . . . 281 LEU N 'S2f, S2, ts' 0.640426863955 0.0220444594368 . . 0.840611019458 0.00762340681345 0.951827343681 0.0320337275076 3.24740162247e-08 5.07524173486e-09 . . . . 285 LEU N 'S2, te' 0.836737332178 0.0114757393835 9.54518440102e-12 4.83119293197e-12 . . . . . . . . . . 287 LEU N 'S2f, S2, ts' 0.669876936361 0.0204448818995 . . 0.880276096672 0.00772842350929 0.956518976913 0.0289848070403 3.24740162247e-08 4.71684539104e-09 . . . . 288 ARG N 'S2f, S2, ts, Rex' 0.814767549385 0.010038596758 . . 0.838971993009 0.0472466256646 0.970512361424 0.0423717431821 2.36295205254e-10 1.50838426538e-10 . . . . 289 TRP N 'S2f, S2, ts' 0.802108791847 0.00453997537267 . . 0.84970337136 0.0036947400447 0.94596345392 0.00301644418001 4.61299499665e-10 4.67085515694e-11 . . . . 290 GLU N 'S2f, tf, S2, ts' 0.640840249742 0.0025867383372 . . 0.741992893691 0.00910471679191 0.859919940947 0.0100313859255 8.6205705922e-10 8.29670905223e-11 . . . . stop_ save_ save_order_parameter_list_top _Saveframe_category S2_parameters _Details 'Bond_length_val: 1.02e-10.' loop_ _Software_label $relax stop_ loop_ _Experiment_label $600.18_MHz_R1_1 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name 'heavy chain' _Tau_e_value_units s _Tau_s_value_units s _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 17 SER N 'S2f, S2, ts, Rex' 0.395294611481 0.0752725326318 . . 0.60637916049 0.0623010503847 0.651893464336 0.0632796519716 1.25804941538e-09 1.17698326747e-10 . . . . 19 SER N S2 0.878296691831 0.0130958521446 . . . . . . . . . . . . 20 MET N S2 0.879291220509 0.021950250866 . . . . . . . . . . . . 21 ARG N S2 0.927434243112 0.0297719967836 . . . . . . . . . . . . 22 TYR N 'S2, Rex' 0.830055262157 0.0221812727455 . . . . . . . . . . . . 23 PHE N 'S2, Rex' 0.810349657457 0.0153919574629 . . . . . . . . . . . . 26 SER N S2 0.854972069125 0.0187842722959 . . . . . . . . . . . . 27 VAL N S2 0.844309988402 0.0112033703706 . . . . . . . . . . . . 28 SER N 'S2, te, Rex' 0.869991932501 0.0227536928442 2.53638050561e-11 8.90893059019e-12 . . . . . . . . . . 31 GLY N 'S2, te' 0.349730690558 0.0194479754403 8.44479850157e-12 1.47433002659e-12 . . . . . . . . . . 33 GLY N 'S2, Rex' 0.820700744464 0.0365805954223 . . . . . . . . . . . . 34 GLU N 'S2f, tf, S2, ts, Rex' 0.337603691844 0.167745840035 . . 0.565195792619 0.0662844376657 0.597321665581 0.269798502742 6.66549105496e-09 7.94606451663e-09 . . . . 36 ARG N 'S2f, S2, ts' 0.860877366497 0.0202400428829 . . 0.879475982114 0.0222128421668 0.978852616791 0.0155446286137 1.17486902581e-09 2.75900204741e-09 . . . . 37 PHE N 'S2f, S2, ts, Rex' 0.65981708026 0.110180591641 . . 0.72013265033 0.086453311597 0.916243805857 0.0566096750624 1.77621383515e-09 1.1339568369e-09 . . . . 38 ILE N 'S2, Rex' 0.843464470542 0.0139827091091 . . . . . . . . . . . . 41 GLY N S2 0.872172424438 0.0173595152165 . . . . . . . . . . . . 42 TYR N 'S2, Rex' 0.800060983629 0.0136699284506 . . . . . . . . . . . . 44 ASP N 'S2, Rex' 0.82375602206 0.0138449317374 . . . . . . . . . . . . 45 ASP N 'S2, te, Rex' 0.716251416529 0.0185401850992 5.82666399109e-12 3.41175292374e-12 . . . . . . . . . . 46 THR N 'S2, te' 0.89029592453 0.0168876314387 1.63901348465e-11 8.77077809623e-12 . . . . . . . . . . 47 LEU N 'S2, te, Rex' 0.833107064359 0.0135714863966 1.31043400777e-11 3.41607657271e-12 . . . . . . . . . . 49 VAL N 'S2, Rex' 0.797369733501 0.0550727813841 . . . . . . . . . . . . 50 ARG N 'S2f, S2, ts' 0.427278424271 0.00681136070681 . . 0.580670385346 0.00779800934651 0.735836431521 0.00818144513251 1.53962545755e-09 1.2000247912e-10 . . . . 52 ASP N 'S2, Rex' 0.836301711159 0.0118343534029 . . . . . . . . . . . . 53 SER N 'S2, Rex' 0.823748625079 0.0158560006857 . . . . . . . . . . . . 54 ASP N 'S2, Rex' 0.842339331278 0.0190031080957 . . . . . . . . . . . . 55 ALA N 'S2f, tf, S2, ts' 0.681373533085 0.00813067869512 . . 0.774326566736 0.0237916308832 0.879956290222 0.0260581821474 6.47303087569e-10 2.52639654642e-10 . . . . 56 ALA N 'S2f, S2, ts, Rex' 4.35983616072e-15 0.0483016267827 . . 0.640585382807 0.0376648270657 -3.7322126283e-17 0.0664693978428 8.2451694987e-10 2.20681270736e-11 . . . . 57 SER N 'S2, te' 0.699911373752 0.0247580452517 3.6228092961e-11 6.05345429249e-12 . . . . . . . . . . 63 ARG N 'S2, te' 0.828287998544 0.0301085138305 2.52846471521e-11 9.6797369933e-12 . . . . . . . . . . 64 ALA N 'S2, Rex' 0.725081092806 0.0245420737098 . . . . . . . . . . . . 66 TRP N 'S2, Rex' 0.873957684339 0.0257703470152 . . . . . . . . . . . . 67 ILE N S2 0.919138188922 0.0294466766403 . . . . . . . . . . . . 71 GLY N 'S2f, S2, ts' 0.637740724232 0.0112935234115 . . 0.728574821631 0.00965405518253 0.87532632929 0.00823495692122 2.03367182246e-09 6.49565075628e-10 . . . . 73 GLU N 'S2, Rex' 0.771965328589 0.0254783492028 . . . . . . . . . . . . 74 TYR N 'S2, te, Rex' 0.791753441652 0.0144157454839 6.48423456771e-12 3.83526085395e-12 . . . . . . . . . . 78 GLU N 'S2, te' 0.892477856497 0.00491603058526 7.52018134763e-12 2.61525377863e-12 . . . . . . . . . . 80 GLN N 'S2f, S2, ts' 0.325200703566 0.0714650100175 . . 0.604219016572 0.0293373072728 0.538216598032 0.126753299491 5.72578984044e-09 3.88653544145e-09 . . . . 83 LYS N 'S2, Rex' 0.75911045885 0.0323551758881 . . . . . . . . . . . . 86 ALA N 'S2, Rex' 0.835550503661 0.0122004988069 . . . . . . . . . . . . 89 ASP N 'S2, Rex' 0.837934076752 0.0318618172091 . . . . . . . . . . . . 90 ARG N 'S2, Rex' 0.855753874553 0.0173785771261 . . . . . . . . . . . . 91 GLU N 'S2, Rex' 0.804000017534 0.0247438957948 . . . . . . . . . . . . 93 LEU N 'S2f, tf, S2, ts' 2.88829437409e-12 0.0464467327573 . . 0.518276121165 0.0246426453159 -5.43023311398e-18 0.100850982333 1.14476338532e-08 2.32769012415e-09 . . . . 94 ARG N 'S2, Rex' 0.864461321662 0.0289532973262 . . . . . . . . . . . . 99 TYR N 'S2, Rex' 0.806669049391 0.01355328457 . . . . . . . . . . . . 100 TYR N S2 0.824283781052 0.0134251923593 . . . . . . . . . . . . 102 GLN N 'S2, Rex' 0.820532551192 0.012782800885 . . . . . . . . . . . . 106 GLY N 'S2f, S2, ts' 0.484370458678 0.0295301904154 . . 0.645950035818 0.0614741860417 0.749857468565 0.0592693592112 5.82114074742e-10 1.45606610277e-10 . . . . 107 SER N 'S2f, S2, ts' 0.690985050614 0.0261499639162 . . 0.7333795149 0.0471856462244 0.94219300727 0.0366107255101 9.33332118208e-10 4.11102277605e-10 . . . . 108 HIS N 'S2f, S2, ts' 0.58282154971 0.0120379356516 . . 0.678746362995 0.0109311790279 0.858673550954 0.00902765012986 1.03267936744e-09 1.07354187603e-10 . . . . 109 THR N S2 0.831767146826 0.0112379281103 . . . . . . . . . . . . 110 LEU N S2 0.909698372806 0.0260530560903 . . . . . . . . . . . . 111 GLN N S2 0.828055946117 0.0218061192359 . . . . . . . . . . . . 112 ASN N 'S2, Rex' 0.83468860852 0.0411421891531 . . . . . . . . . . . . 114 TYR N S2 0.910552751267 0.0135201858722 . . . . . . . . . . . . 115 GLY N S2 0.899294431033 0.0321271608907 . . . . . . . . . . . . 116 CYS N S2 0.88703117415 0.0225556089994 . . . . . . . . . . . . 117 ASP N 'S2, Rex' 0.822085416069 0.0205692690843 . . . . . . . . . . . . 118 VAL N S2 0.89352230941 0.0155307398573 . . . . . . . . . . . . 119 GLY N 'S2, te' 0.855883647836 0.0124397696401 2.36430720793e-11 4.77975354582e-12 . . . . . . . . . . 121 ASP N 'S2f, S2, ts' 0.764157606278 0.0166827665972 . . 0.82786397584 0.0139120479256 0.923047298323 0.0100762514645 9.89168084413e-10 2.15737150242e-10 . . . . 122 GLY N 'S2f, S2, ts, Rex' 0.492639949668 0.122616221399 . . 0.598780065716 0.0984645625604 0.822739396106 0.0849343442227 1.71907408931e-09 4.95954497604e-10 . . . . 125 LEU N 'S2f, S2, ts, Rex' 0.288591191658 0.235653714459 . . 0.439750312524 0.17506457171 0.65626148166 0.336901664316 3.23841020558e-09 2.6960634341e-09 . . . . 127 GLY N 'S2f, S2, ts' 0.766708670462 0.0340182410492 . . 0.813841558308 0.0264334264711 0.942085916645 0.0168126765689 1.42782854479e-09 1.46475474387e-09 . . . . 131 HIS N 'S2, Rex' 0.843181484244 0.045130808158 . . . . . . . . . . . . 133 TYR N 'S2f, S2, ts' 0.657727590619 0.0136202380045 . . 0.724373753134 0.0123918929934 0.907994785528 0.00979598176895 8.85241282281e-10 1.74014198205e-10 . . . . 134 ASP N S2 0.888297129835 0.02237911935 . . . . . . . . . . . . 135 GLY N S2 0.870079777781 0.0536261351068 . . . . . . . . . . . . 138 TYR N 'S2, te, Rex' 0.76383290857 0.0257436417356 8.75865904811e-12 4.98187982239e-12 . . . . . . . . . . 139 ILE N 'S2, Rex' 0.824956678526 0.0352981527724 . . . . . . . . . . . . 140 ALA N 'S2, Rex' 0.848989369283 0.0362151385579 . . . . . . . . . . . . 141 LEU N S2 0.86519654548 0.0234554598784 . . . . . . . . . . . . 142 ASN N 'S2, te, Rex' 0.776575443994 0.0150999573 8.40659370665e-12 3.22024087566e-12 . . . . . . . . . . 143 GLU N 'S2, Rex' 0.828222855618 0.0291933596262 . . . . . . . . . . . . 144 ASP N 'S2, te, Rex' 0.85639922432 0.014361711546 1.13360470863e-11 5.50778669808e-12 . . . . . . . . . . 145 LEU N S2 0.902044875777 0.0143505474259 . . . . . . . . . . . . 146 SER N 'S2, te, Rex' 0.796636206058 0.0245012394784 1.11461206299e-11 5.23023808336e-12 . . . . . . . . . . 147 SER N 'S2f, tf, S2, ts' 0.490056736702 0.0271825619566 . . 0.54006040344 0.0342808528048 0.907410973996 0.0399831362731 6.38818535946e-09 3.04903453011e-09 . . . . 148 TRP N 'S2, te, Rex' 0.735010821717 0.00967025163716 4.4920470798e-12 1.90009981346e-12 . . . . . . . . . . 149 THR N 'S2, te, Rex' 0.779829361026 0.0112813307694 8.48391604556e-12 2.6416481525e-12 . . . . . . . . . . 150 ALA N S2 0.831153470827 0.0160162240583 . . . . . . . . . . . . 151 ALA N 'S2f, tf, S2, ts' 1.66954683757e-15 0.0936123974033 . . 0.695276826161 0.0392050267986 -2.89613531586e-15 0.154839883957 1.77931691198e-08 4.41423865022e-09 . . . . 152 ASP N 'S2f, S2, ts, Rex' 0.639097463099 0.0605761299697 . . 0.705655349613 0.0491706544234 0.905679328371 0.0243211549279 1.27768131657e-09 2.74939811876e-10 . . . . 153 THR N 'S2, te' 0.851231239527 0.0448197539532 3.45827165119e-11 8.61663300161e-11 . . . . . . . . . . 154 ALA N 'S2f, S2, ts, Rex' 0.740300547341 0.0882805377159 . . 0.800624649184 0.0719084642178 0.924653703949 0.031978725245 1.20346983045e-09 4.23035120973e-10 . . . . 156 GLN N 'S2, te, Rex' 0.819629338758 0.0154027991773 6.55178813728e-12 3.9532083927e-12 . . . . . . . . . . 157 ILE N 'S2, te, Rex' 0.797098103878 0.016926909851 8.61370717033e-12 3.64123024955e-12 . . . . . . . . . . 158 THR N 'S2, Rex' 0.8163371913 0.0207386730267 . . . . . . . . . . . . 160 ARG N 'S2, te, Rex' 0.806699155407 0.0247841254521 8.5813415629e-12 5.40490542073e-12 . . . . . . . . . . 161 LYS N 'S2, Rex' 0.86986527007 0.0171838521484 . . . . . . . . . . . . 162 TRP N S2 0.916751416419 0.0366747304466 . . . . . . . . . . . . 163 GLU N 'S2, Rex' 0.843217118173 0.0198561785431 . . . . . . . . . . . . 165 ALA N 'S2, te' 0.841485771729 0.0116229262575 7.677289075e-12 3.9002976289e-12 . . . . . . . . . . 166 ARG N 'S2, te, Rex' 0.859440036298 0.0147591357584 9.46928759053e-12 5.59011854154e-12 . . . . . . . . . . 167 VAL N 'S2, Rex' 0.961921447044 0.0151666152533 . . . . . . . . . . . . 172 ARG N 'S2, te, Rex' 0.856306533054 0.048920224447 1.7010651268e-11 1.0188330415e-10 . . . . . . . . . . 173 ALA N 'S2, te, Rex' 0.764439021889 0.0196634243695 1.27627724925e-11 2.43125780816e-12 . . . . . . . . . . 176 GLU N 'S2, te, Rex' 0.678726859071 0.0326092579824 5.78299117726e-12 3.23808538207e-12 . . . . . . . . . . 177 GLY N 'S2, te, Rex' 0.708273678982 0.0181816750047 8.11609329709e-12 2.70581430003e-12 . . . . . . . . . . 178 GLU N 'S2f, S2, ts, Rex' 0.226817673317 0.232794823766 . . 0.342402402007 0.219868325359 0.662430146483 0.379262830554 2.29213642053e-09 1.52420654485e-09 . . . . 179 CYS N 'S2, Rex' 0.758697294931 0.046561755628 . . . . . . . . . . . . 180 VAL N 'S2f, S2, ts, Rex' 0.604245192268 0.178617143867 . . 0.661727872937 0.161370158575 0.913132447612 0.145227962532 1.18271466319e-09 1.14595405542e-09 . . . . 181 GLU N S2 0.867688804586 0.020624233024 . . . . . . . . . . . . 190 GLY N 'S2, te, Rex' 0.746000338797 0.0239599916863 9.56558742915e-12 3.48317902794e-12 . . . . . . . . . . 191 LYS N 'S2, te' 0.934949576234 0.0158956313668 3.5411527279e-11 1.61291801492e-11 . . . . . . . . . . 192 GLU N 'S2, te' 0.929691368776 0.0197237386761 3.74591127533e-11 3.29680521789e-11 . . . . . . . . . . 193 THR N 'S2f, S2, ts, Rex' 0.377216497542 0.286992621071 . . 0.51157947055 0.231714313631 0.737356597127 0.349082617567 1.91734356822e-09 1.31488747073e-09 . . . . stop_ save_