data_26711 ####################### # 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*27:05 in complex with the peptide TIS ; _BMRB_accession_number 26711 _BMRB_flat_file_name bmr26711.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*27:05 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" 240 "order parameters" 240 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-22 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19121 'Chemical shifts for the beta-2 Microglobulin subunit of HLA-B*27:05/TIS' 25711 'Chemical shifts for the heavy chain of of HLA-B*27:05/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' 26712 'Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*B*27:09 in complex with the peptide pVIPR' 26713 'Relaxation and model-free data from beta-2-microglobulin and the heavy chain of HLA-B*B*27:09 in complex with the peptide TIS' 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_ save_entry_citation_3 _Saveframe_category entry_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_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 121 _Page_last 133 _Year 2008 _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_ ################################## # 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' $1w0v-hkca_mol1 b2m $1w0v-hkca_mol2 TIS $1w0v-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_1w0v-hkca_mol1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 1w0v-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 DGRLLRGYHQDAYDGKDYIA 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 ASP 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_1w0v-hkca_mol2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 1w0v-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_1w0v-hkca_mol3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 1w0v-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 $1w0v-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 $1w0v-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 $1w0v-hkca_mol1 0.330 mM '[U-15N; U-2H]' $1w0v-hkca_mol2 0.330 mM 'natural abundance' $1w0v-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 $1w0v-hkca_mol1 0.330 mM [U-2H] $1w0v-hkca_mol2 0.330 mM [U-15N] $1w0v-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 0.294924652769 0.0810041372243 8 ILE 0.613515701049 0.133648893649 9 GLN 0.892560548207 0.15570749603 12 SER 0.839345588942 0.129955043236 13 ARG 0.95281230336 0.159916582839 14 HIS 0.72307684915 0.079064963321 17 GLU 0.656525415787 0.133455176129 19 GLY 0.675334857459 0.132502336346 20 LYS 0.783048378102 0.059347018298 23 PHE 0.868480677176 0.134752016695 25 ASN 0.630285758234 0.100454324291 26 CYS 0.817306854762 0.123622434684 27 TYR 0.716837913785 0.17103473176 29 SER 0.826183131572 0.140103176987 30 GLY 0.516478457799 0.12529938962 31 PHE 0.764999131834 0.0824959071324 34 SER 0.628874457964 0.155320918209 35 ASP 0.721956451281 0.0547975690188 37 GLU 0.879716933252 0.12576245259 38 VAL 0.718360385128 0.0926386787855 40 LEU 1.03569209342 0.161187428391 41 LEU 0.73233366228 0.131806934198 43 ASN 0.708693651881 0.0903665083065 44 GLY 0.750245424871 0.12784051375 45 GLU 0.753817059746 0.0570109232658 46 ARG 0.723986071959 0.101939180232 47 ILE 0.788802359385 0.117863741372 48 GLU 0.754937307776 0.0962079533959 49 LYS 0.563356524869 0.0730007173161 51 GLU 0.737519854663 0.099552894062 52 HIS 0.686275493714 0.0624199543999 53 SER 0.660484802773 0.125370248301 54 ASP 0.709073493223 0.18742830745 55 LEU 0.552309129738 0.132591961944 56 SER 1.05422859058 0.206780033781 57 PHE 0.812254293068 0.103110120015 58 SER 0.791202073167 0.129816972386 60 ASP 0.946311662097 0.117113372259 61 TRP 0.906320471372 0.141457514126 61 TRP 0.857870702537 0.0965595066175 62 SER 0.774252303133 0.108965057268 63 PHE 0.497142595678 0.117468511556 64 TYR 0.952047491767 0.163116786536 65 LEU 0.904419590354 0.157002638205 66 LEU 0.757500168787 0.151246907604 67 TYR 0.98714998434 0.177815593195 68 TYR 0.952086518341 0.117927090529 69 THR 1.01188346052 0.145960726769 70 GLU 0.750171743087 0.0736207655518 71 PHE 0.597782308481 0.0910435034576 72 THR 0.893932824834 0.112266449133 74 THR 0.705979957329 0.0804081214525 75 GLU 0.510568522601 0.254029198774 76 LYS 0.459516416158 0.0740972545761 77 ASP 0.691485853102 0.0618794411387 79 TYR 0.70404903622 0.0997511917406 81 CYS 0.921518453009 0.12265489873 82 ARG 1.11103875637 0.144743261732 83 VAL 0.951379160988 0.145814099132 84 ASN 0.932976336139 0.135497978832 85 HIS 0.765305073841 0.0758969634925 86 VAL 0.939582442219 0.126491275809 87 THR 0.885381360349 0.123738792966 88 LEU 0.779134331082 0.0718469087825 90 GLN 0.673484965318 0.0408645729355 92 LYS 0.780494983094 0.108528362917 93 ILE 0.612919610084 0.0646473692186 94 VAL 0.719653396997 0.116788571542 95 LYS 0.771125325349 0.085928808724 96 TRP 0.782244894533 0.146995423153 96 TRP 0.760351403328 0.116206765992 97 ASP 1.10817332554 0.157527536181 98 ARG 0.915066001242 0.15258405147 99 ASP 0.767447575526 0.0726321484931 100 MET 0.643745088215 0.059645491552 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 0.398414527454 0.0558303030999 8 ILE 0.630117390957 0.0854944968941 9 GLN 0.734941012063 0.0823771775477 12 SER 0.857230787559 0.0832433231148 13 ARG 0.825446542581 0.0930050501184 14 HIS 0.916168481042 0.073333473646 17 GLU 0.729774843136 0.099543183709 19 GLY 0.767182776008 0.102036845233 20 LYS 0.73094336678 0.041953786354 23 PHE 0.985871860195 0.0979932401211 25 ASN 0.694327329905 0.0899774459894 26 CYS 0.813306138967 0.0877424477337 27 TYR 0.966706757735 0.14870412846 29 SER 0.702251749742 0.0857475687403 30 GLY 0.700657204123 0.0715129443111 31 PHE 0.753318816131 0.0587471557853 34 SER 0.806006377473 0.155053250332 35 ASP 0.697933850376 0.0395766323198 37 GLU 0.706900154813 0.0712327515446 38 VAL 0.798514119525 0.0646174265127 40 LEU 0.691120201649 0.0807824639288 41 LEU 0.817113073678 0.0863448285648 43 ASN 0.784268647053 0.0772682107285 44 GLY 0.79835302056 0.078696649668 45 GLU 0.707601277176 0.040793349003 46 ARG 0.788626722172 0.0789090643746 47 ILE 0.718423863508 0.0843328829586 48 GLU 0.578031409273 0.0561635115126 49 LYS 0.472498889093 0.0440190948014 51 GLU 0.560068801116 0.0663945938652 52 HIS 0.720835291552 0.0450340439139 53 SER 0.664361389101 0.0978331933629 54 ASP 0.767562256015 0.127033822935 55 LEU 0.919135124154 0.155698208116 56 SER 0.650083530566 0.0833979237747 57 PHE 0.643733711264 0.0605078683245 58 SER 0.825975983464 0.113086879752 60 ASP 0.815483749647 0.0669375675851 61 TRP 0.774751316323 0.0817402532074 61 TRP 0.60698340334 0.0724175269845 62 SER 0.722518352004 0.0830380510637 63 PHE 0.495045229115 0.0869478926138 64 TYR 0.959100774411 0.114269249754 65 LEU 0.899723780368 0.104285875817 66 LEU 0.768776153731 0.136621826162 67 TYR 1.09329938947 0.145781540764 68 TYR 0.688567049538 0.0591562501181 69 THR 0.731346883552 0.0796033805967 70 GLU 0.696715713751 0.0524622835214 71 PHE 0.773951064072 0.0864809069991 72 THR 0.710259491374 0.0673911454355 74 THR 0.770891342239 0.0645718342217 75 GLU 0.637609938058 0.177104874611 76 LYS 0.508041823448 0.0494458656084 77 ASP 0.74277332185 0.043811150402 79 TYR 0.888450419421 0.085878422822 81 CYS 0.698236726741 0.0655541674759 82 ARG 0.884284002598 0.0900065193403 83 VAL 0.680557408813 0.0931930903301 84 ASN 0.840030684876 0.0815545039599 85 HIS 0.796451084424 0.0536906772853 86 VAL 0.834728893274 0.0792579672733 87 THR 0.70331722694 0.0671361402786 88 LEU 0.794666315065 0.0571218692485 90 GLN 0.681687270653 0.0294330127373 92 LYS 0.749134359769 0.0748693670173 93 ILE 0.573128767911 0.0435784977634 94 VAL 0.849169943685 0.0891463923218 95 LYS 0.831812826701 0.0667020798737 96 TRP 0.651700561345 0.0809506052626 96 TRP 0.706574635276 0.105258202906 97 ASP 0.836284257934 0.0918259458111 98 ARG 0.824562892006 0.0978586310077 99 ASP 0.825821979437 0.054924258576 100 MET 0.586660682361 0.0399114794501 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 0.524407138108 0.0441270683622 19 SER 0.715823672935 0.0666451607729 28 SER 0.879999650367 0.0514906061776 31 GLY 0.430740198381 0.114318519606 33 GLY 2.04413632412 1.6818588838 34 GLU 0.579447795009 0.0520142590357 36 ARG 0.879905230769 0.0449516232761 37 PHE 0.737837139441 0.0502802467377 38 ILE 0.912519211269 0.0476137918592 40 VAL 0.750929193914 0.0733386454882 41 GLY 0.825286389524 0.0763207343897 44 ASP 0.785676784136 0.0547337413569 45 ASP 0.965503931862 0.17470238967 46 THR 0.944125797839 0.106007374202 47 LEU 0.894787174068 0.0774566664692 49 VAL 0.747579244268 0.0875099440913 50 ARG 0.836939820676 0.0627704865507 51 PHE 0.811702773617 0.0537441116052 52 ASP 0.820314477792 0.0406555426532 53 SER 0.821453019693 0.0491022983984 54 ASP 0.803022721435 0.0392257971936 55 ALA 0.0960352580867 0.0297570631655 57 SER 0.35317047004 0.0656675672179 63 ARG 0.883347032856 0.0706183379717 64 ALA 0.966452362114 0.0869615423273 66 TRP 0.760260494893 0.0651414692891 67 ILE 0.699507999386 0.0780518990694 68 GLU 0.753039279477 0.0831139157604 70 GLU 0.759044836974 0.0513186468118 71 GLY 0.800439486675 0.0396080111362 73 GLU 0.876589896715 0.0667867348789 74 TYR 0.896291596984 0.0618058445922 77 ARG 0.849510652691 0.0423133825395 82 CYS 0.865976646536 0.0947790546683 83 LYS 0.84615802298 0.0662962467061 87 GLN 0.855890399456 0.0741063681028 90 ARG 0.912021561675 0.0707199186195 92 ASP 1.40578650929 0.124675707489 93 LEU 0.910633072421 0.0595230819216 94 ARG 0.899575117464 0.0860931979099 95 THR -0.0611575641965 0.0226935617032 96 LEU 0.884199517361 0.111542920158 100 TYR 0.933109282421 0.0819771967378 102 GLN 0.811200612863 0.0713151378524 106 GLY 0.0932968591859 0.112418167192 107 SER 0.665653609316 0.0604325846522 108 HIS 0.818749868837 0.0727411272795 109 THR 0.923268407644 0.058840085363 110 LEU 0.840615887544 0.0727335738948 112 ASN 0.729730812866 0.0693107487403 115 GLY 0.870606248882 0.0913713144108 116 CYS 0.858458406082 0.0874663713052 118 VAL 0.854293144331 0.0533546654343 119 GLY 0.920322499015 0.0608609854104 121 ASP 0.681917348785 0.052212239828 122 GLY 0.789942227557 0.0652753489763 125 LEU 0.901587715904 0.0910972352349 126 ARG 1.00117313691 0.116990918776 127 GLY 0.737954492178 0.0723583600601 129 HIS 0.825314900728 0.0768083504585 130 GLN 0.895703501546 0.0840163032725 132 ALA 1.02202439889 0.0941533654499 134 ASP 0.670217956873 0.0654198255584 135 GLY 1.00580734408 0.149952020298 137 ASP 0.824758819412 0.0593796215444 139 ILE 0.891034474416 0.0961950656288 140 ALA 0.835839205212 0.0654811416994 141 LEU 0.87060038312 0.0913182367646 143 GLU 0.812235597049 0.07050017969 144 ASP 0.71609886279 0.0472534893007 145 LEU 0.851196017896 0.0507070638654 146 SER 0.716447204668 0.0666782098161 147 SER 0.557861668507 0.0788691060905 149 THR 0.811034275008 0.0488581497624 150 ALA 0.844268916857 0.0432115769133 151 ALA 0.727816573205 0.0451592877761 152 ASP 0.707104132497 0.0549224798464 153 THR 1.10453571088 0.231751465294 154 ALA 0.771625812625 0.0711001410896 155 ALA 0.798860900049 0.0938572885487 156 GLN 0.803600713483 0.0567018866084 157 ILE 0.87916840661 0.0757331297098 158 THR 0.887300265734 0.117492436531 160 ARG 0.796455735036 0.0483502258625 161 LYS 0.800553155287 0.078790520316 162 TRP 0.870363165861 0.0790281360341 163 GLU 0.822262936069 0.0611179914705 165 ALA 0.743109766741 0.0487062232753 166 ARG 0.827302982462 0.0461686776178 167 VAL 0.793488239416 0.0619881903109 168 ALA 0.798870914507 0.0652581814481 172 ARG 0.912681563697 0.0564019325324 173 ALA 0.796796923033 0.0766935784174 175 LEU 0.961655113624 0.139222383629 176 GLU 0.752376492309 0.0686836007606 177 GLY 0.786334906449 0.0564663025105 178 GLU 0.67776758138 0.05842280536 179 CYS 0.750170206546 0.0928297531811 180 VAL 0.934124327588 0.0860329329554 184 ARG 0.905998579471 0.0823506234244 185 ARG 0.976765604435 0.0711113120023 187 LEU 0.895940647928 0.0856603058717 190 GLY 0.827571396775 0.078187918478 191 LYS 0.811785437988 0.0587219678064 192 GLU 0.810235476827 0.0592021013032 193 THR 0.720608879043 0.1298392127 194 LEU 0.620221115925 0.096614096803 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 0.524909342664 0.0421449035395 19 SER 0.775566123706 0.0705566668507 28 SER 0.734620719832 0.0461888930561 31 GLY 0.375735638648 0.0637643550262 33 GLY 0.0286382763925 0.335080248599 34 GLU 0.712634568083 0.0535551096699 36 ARG 0.819097361828 0.0447780080107 37 PHE 0.820227555039 0.0536022301173 38 ILE 0.715003459791 0.0409964608761 40 VAL 0.748065825863 0.0709993735326 41 GLY 0.853434739959 0.0884604504653 44 ASP 0.862304775361 0.0649074114171 45 ASP 0.745038054297 0.110198116297 46 THR 0.773409448956 0.0931818685327 47 LEU 1.05926434131 0.118280120322 49 VAL 0.82897418557 0.0788984002624 50 ARG 0.759520512502 0.0567818394857 51 PHE 0.875421944173 0.0727238120782 52 ASP 0.846111398709 0.0457844453643 53 SER 0.798110236288 0.0513410797083 54 ASP 0.801823408356 0.0393645273419 55 ALA 0.263963807172 0.026710136127 57 SER 0.325619987308 0.0575167105673 63 ARG 0.855890903268 0.0695565712562 64 ALA 0.790870663479 0.0728115300028 66 TRP 0.728759944539 0.0630701077178 67 ILE 0.76386968787 0.0859900541621 68 GLU 0.739480120837 0.0727288858278 70 GLU 0.702598711952 0.0464560543732 71 GLY 0.719832984748 0.0441054548269 73 GLU 0.787232444496 0.0610987885937 74 TYR 0.72920122206 0.0505584434413 77 ARG 0.723335355544 0.0424424284043 82 CYS 0.85343452272 0.0966975816286 83 LYS 0.758564647997 0.0607626700351 87 GLN 0.82166549345 0.0698947570935 90 ARG 0.717030330895 0.056259066153 92 ASP 0.831503182225 0.0849337919838 93 LEU 0.775548270807 0.0497373625632 94 ARG 0.810310690999 0.0878553591655 95 THR 0.350855265691 0.0197398201718 96 LEU 0.703359480075 0.0793706037153 100 TYR 0.878593168659 0.0694883801227 102 GLN 0.703079285835 0.0716495361883 106 GLY 0.0761347260681 0.0718560605643 107 SER 0.572249833039 0.0575153072533 108 HIS 0.810375361567 0.0377767832573 109 THR 0.831672767169 0.0521453209435 110 LEU 0.816493604252 0.0772769534485 112 ASN 0.737048609684 0.0798093455253 115 GLY 0.715460221639 0.0686495951909 116 CYS 0.90498733051 0.082934987729 118 VAL 0.801614335337 0.0494852367987 119 GLY 0.708971702492 0.0495877770334 121 ASP 0.627540839857 0.0457318031997 122 GLY 0.742049251951 0.0585760106183 125 LEU 0.831363392586 0.0764647397332 126 ARG 0.717570576544 0.0806091906422 127 GLY 0.762593914281 0.0870307926131 129 HIS 0.786810918325 0.0741462386876 130 GLN 0.981598389631 0.110205107139 132 ALA 0.868581279271 0.0811201790855 134 ASP 0.741654793799 0.0784817765432 135 GLY 0.883800221585 0.11172388139 137 ASP 0.679231561269 0.0565059213379 139 ILE 0.659727250667 0.0665638746693 140 ALA 0.847419811731 0.0711138193978 141 LEU 0.873237799276 0.108721570864 143 GLU 0.806903198866 0.0661713724019 144 ASP 0.779552839415 0.045229823186 145 LEU 0.808158189372 0.0496422645691 146 SER 0.813741447237 0.0738843382166 147 SER 0.552084244038 0.0640340119826 149 THR 0.793437430018 0.049342681687 150 ALA 0.77549426126 0.048278461665 151 ALA 0.699495512592 0.0433189862196 152 ASP 0.640991862812 0.0512825233747 153 THR 0.624626943925 0.113233886542 154 ALA 0.699654633735 0.064753286285 155 ALA 0.879824528099 0.101475417812 156 GLN 0.835695392944 0.0548832217706 157 ILE 0.779187567735 0.0554806955174 158 THR 0.857225532038 0.0978728433354 160 ARG 0.785390958006 0.0478786118392 161 LYS 0.987907784721 0.0950343186097 162 TRP 0.797235111126 0.0820648720783 163 GLU 0.814204520614 0.0589245317216 165 ALA 0.841061468022 0.0502294677318 166 ARG 0.803839702645 0.0467467366042 167 VAL 0.740863724562 0.0630426739518 168 ALA 0.720387059473 0.0382802630678 172 ARG 0.753666065051 0.0493765278621 173 ALA 0.872407331412 0.0773296246803 175 LEU 0.716839116198 0.0929479819756 176 GLU 0.829339296839 0.0696969639689 177 GLY 0.69029437117 0.0539049098303 178 GLU 0.589060109964 0.0537646427363 179 CYS 0.714033928575 0.105780662943 180 VAL 0.827516069404 0.0761724100562 184 ARG 0.764077210112 0.07509389772 185 ARG 0.746775031959 0.0527314169236 187 LEU 0.702365685478 0.0557925105042 190 GLY 0.7897030291 0.0665847507741 191 LYS 0.8256443476 0.0611881799723 192 GLU 0.75164540803 0.0599048696395 193 THR 0.696774700034 0.063205833449 194 LEU 0.85059618128 0.0826609683809 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 0.840428790756 0.0448720825922 202 THR 0.784292539392 0.0449147464035 203 HIS 0.745150488851 0.0491920646214 205 THR 0.8299804793 0.0425688640801 206 HIS 0.772155140467 0.0355355302794 209 ILE 0.618264225241 0.0442865308347 210 SER 0.558958220387 0.0450345794173 212 HIS 0.648174765548 0.10574967878 213 GLU 0.777151989008 0.0508548028816 214 ALA 0.881768659127 0.0384950133661 215 THR 0.778302316649 0.0358237788794 218 CYS 0.819783505724 0.0474696443747 219 TRP 0.835039065968 0.0392873098221 220 ALA 0.845423817756 0.0430975936303 222 GLY 0.635347844923 0.0438675111994 228 ILE 0.775707244246 0.0464544041331 230 LEU 0.793289611638 0.0322562858246 231 THR 0.763210525513 0.0367469436625 232 TRP 0.756237852355 0.0396656459529 233 GLN 0.776796374412 0.0373308059503 234 ARG 0.720040808991 0.0356290250824 235 ASP 0.693215848264 0.0344177955004 236 GLY 0.789278879122 0.0545526850359 237 GLU 0.673689405673 0.0309414977166 242 ASP 0.755550842669 0.0672114829408 243 THR 0.640059805716 0.0470293847199 244 GLU 0.784273118437 0.0415019374975 245 LEU 0.817311264629 0.035340446071 246 VAL 0.706329579825 0.04579955253 247 GLU 0.795724041587 0.0423694253455 249 ARG 0.893098713859 0.0603493079472 251 ALA 0.927309490982 0.0740610362554 252 GLY 0.674282508374 0.0803030638714 253 ASP 0.693797413701 0.0839745646435 255 THR 0.595875745968 0.0804063504381 256 PHE 0.763875084609 0.0645297669966 257 GLN 0.838710711648 0.0519246768427 259 TRP 0.844177015828 0.0460372400463 260 ALA 0.84157599258 0.035495902477 261 ALA 0.838845778601 0.0484281662471 263 VAL 0.78725536718 0.0317023522269 266 SER 0.773608876541 0.0294341088766 267 GLY 0.761487821567 0.0369037840972 269 GLU 0.78062131291 0.0468667967991 270 GLN 0.748885877536 0.0458989025677 272 TYR 0.700804167017 0.0372979574253 273 THR 0.821392982337 0.0386354673543 274 CYS 0.816659983946 0.0403448529139 275 HIS 0.85447797112 0.0378387509265 276 VAL 0.877393393877 0.0414061077242 278 HIS 0.846233185159 0.0405683419788 279 GLU 0.743974702831 0.0460957335146 280 GLY 0.842077626393 0.0815096905069 283 LYS 0.509413061635 0.0377741102781 287 LEU 0.805776892282 0.0398365876697 288 ARG 0.814926469564 0.0298661210674 289 TRP 0.726560610059 0.026158046896 290 GLU 0.247349234928 0.0212663759768 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 0.759832269577 0.0441670571486 202 THR 0.756881368108 0.0417709418193 203 HIS 0.762239614928 0.0457451495619 205 THR 0.737974910538 0.0398407671624 206 HIS 0.714210468197 0.0374925404667 209 ILE 0.771991851948 0.0545703706538 210 SER 0.625502362346 0.0435818019159 212 HIS 0.629716537524 0.0778568518235 213 GLU 0.649621096412 0.0441817065128 214 ALA 0.772931239016 0.0360542589124 215 THR 0.812167071014 0.0442453925856 218 CYS 0.825528861702 0.047150307179 219 TRP 0.836904255565 0.0424195701809 220 ALA 0.820284053081 0.0409601996982 222 GLY 0.66570197517 0.0514502776297 228 ILE 0.756075772074 0.0464381977588 230 LEU 0.734685089371 0.0352896264166 231 THR 0.732698783167 0.0365533061665 232 TRP 0.753427703459 0.0406227444776 233 GLN 0.795894392534 0.0425391115017 234 ARG 0.690109952201 0.0386942805267 235 ASP 0.705217859706 0.0390585301224 236 GLY 0.750181024822 0.0553570569209 237 GLU 0.689095580007 0.03366904514 242 ASP 0.620935399274 0.058206512647 243 THR 0.566862924787 0.0413005196715 244 GLU 0.757862508176 0.0407053296925 245 LEU 0.737502539296 0.038419132859 246 VAL 0.663821099313 0.044537297499 247 GLU 0.732199437493 0.0382215063314 249 ARG 0.756923841237 0.0566550889891 251 ALA 0.780725535326 0.0593504913514 252 GLY 0.857313256243 0.0994928174072 253 ASP 0.815853834363 0.0806641203874 255 THR 0.472282590545 0.0631348998781 256 PHE 0.769670584336 0.0608801580934 257 GLN 0.7597320061 0.0497045657242 259 TRP 0.819012951261 0.0497892278195 260 ALA 0.77797402539 0.0371469126272 261 ALA 0.74155278671 0.0579304424059 263 VAL 0.725593017404 0.0334843570598 266 SER 0.704563244513 0.0286871993009 267 GLY 0.702201917798 0.0379894714552 269 GLU 0.693119550057 0.0516417758639 270 GLN 0.709073400959 0.0473509836102 272 TYR 0.697564051844 0.0374037020114 273 THR 0.819336554775 0.0414457400078 274 CYS 0.8563748447 0.0463256120899 275 HIS 0.849405767081 0.0414935306988 276 VAL 0.772800663517 0.0401910259186 278 HIS 0.78428404404 0.0399235066391 279 GLU 0.792543886144 0.0489459459137 280 GLY 0.701211330708 0.0737874363563 283 LYS 0.641004652666 0.051484666542 287 LEU 0.736268327279 0.040635119274 288 ARG 0.714408621374 0.0292313575513 289 TRP 0.7081139634 0.0307184831185 290 GLU 0.254489094367 0.0237593182491 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' 0.505265468359 0.0181581759032 . . 0.7632132497 0.022494113085 0.662023973715 0.0200603420719 9.45828426032e-10 6.03491976389e-11 . . . . 8 ILE N 'S2, te' 0.679227765896 0.0369602319114 1.14234611241e-11 4.20461838543e-12 . . . . . . . . . . 9 GLN N S2 0.901118403815 0.0516986103572 . . . . . . . . . . . . 12 SER N S2 0.882440552925 0.0426781596118 . . . . . . . . . . . . 14 HIS N S2 0.852363197755 0.0320872824627 . . . . . . . . . . . . 17 GLU N 'S2, te' 0.879717879655 0.0507560379868 2.71279204607e-11 1.21998464219e-10 . . . . . . . . . . 19 GLY N 'S2, te' 0.892428192079 0.0607754518013 2.2309653258e-11 2.48605696472e-10 . . . . . . . . . . 20 LYS N 'S2, te' 0.934969762743 0.0195781548057 3.80847882532e-11 4.83962878852e-11 . . . . . . . . . . 23 PHE N S2 0.82683091313 0.0507405254231 . . . . . . . . . . . . 25 ASN N 'S2, te, Rex' 0.751778813147 0.0734058417929 1.30169148252e-11 9.22995178597e-12 . . . . . . . . . . 26 CYS N S2 0.831695596577 0.0497522639828 . . . . . . . . . . . . 29 SER N 'S2, te, Rex' 0.801619786008 0.072725358672 1.13729328497e-11 3.70336911716e-11 . . . . . . . . . . 30 GLY N 'S2, te, Rex' 0.675574917264 0.0734082598182 9.21886094916e-12 4.6680090857e-12 . . . . . . . . . . 31 PHE N 'S2, te' 0.884508920155 0.0364130422661 1.79484522499e-11 5.86698523029e-11 . . . . . . . . . . 35 ASP N 'S2, te' 0.890739627896 0.018301929762 2.7246709489e-11 7.74697511841e-12 . . . . . . . . . . 37 GLU N 'S2, te, Rex' 0.855515301429 0.0585684909315 1.49526039384e-11 7.45352133733e-11 . . . . . . . . . . 38 VAL N 'S2, te' 0.845224443765 0.028794725265 9.36503819394e-12 6.70671420517e-12 . . . . . . . . . . 40 LEU N 'S2, te' 0.77840330116 0.0357409873502 8.49731245396e-12 5.54110787604e-12 . . . . . . . . . . 43 ASN N 'S2, te' 0.829574571792 0.0430803016145 1.13388913468e-11 5.88996025181e-11 . . . . . . . . . . 45 GLU N 'S2, te, Rex' 0.869490945203 0.0284142117411 2.08981176248e-11 7.87324913843e-12 . . . . . . . . . . 46 ARG N 'S2, te' 0.918418565738 0.0464916236815 2.55237856967e-11 7.46081354887e-10 . . . . . . . . . . 48 GLU N 'S2, te' 0.923171995624 0.0295479646226 7.07454336483e-11 1.29595394251e-10 . . . . . . . . . . 49 LYS N 'S2, te' 0.784863060945 0.0190701689611 3.30982660086e-11 5.0218070343e-12 . . . . . . . . . . 51 GLU N 'S2, te, Rex' 0.776249327213 0.043979618602 2.05272896196e-11 7.00635758057e-12 . . . . . . . . . . 52 HIS N 'S2, te' 0.849470695328 0.0188201784146 1.79197381783e-11 5.26479022139e-12 . . . . . . . . . . 53 SER N 'S2, te' 0.951495323751 0.0429360108875 8.91057859828e-11 2.92669059679e-10 . . . . . . . . . . 56 SER N 'S2, te' 0.898564840735 0.0604001690848 3.06492249828e-11 3.13604971951e-10 . . . . . . . . . . 57 PHE N 'S2, te, Rex' 0.76789165051 0.0456944615062 1.40219701142e-11 5.66387014647e-12 . . . . . . . . . . 60 ASP N S2 0.900621978232 0.0380273762536 . . . . . . . . . . . . 61 TRP NE1 'S2, te' 0.748527979101 0.0314725782326 1.14215231882e-11 4.69560951126e-12 . . . . . . . . . . 62 SER N 'S2, te, Rex' 0.870234061821 0.0677913042334 1.81067324081e-11 1.19195227276e-10 . . . . . . . . . . 63 PHE N 'S2f, S2, ts' 0.606744542091 0.0491328961772 . . 0.734598886001 0.0484208836546 0.825953528727 0.0367523627101 8.62142754623e-10 1.62445588042e-10 . . . . 64 TYR N S2 0.844864976058 0.0631653483854 . . . . . . . . . . . . 65 LEU N S2 0.831641021506 0.0521954995271 . . . . . . . . . . . . 66 LEU N S2 0.762516406651 0.0682064057526 . . . . . . . . . . . . 67 TYR N S2 0.890558857909 0.0616385130696 . . . . . . . . . . . . 68 TYR N 'S2, te, Rex' 0.758190982574 0.0535798453557 8.63854686271e-12 5.09872571953e-12 . . . . . . . . . . 69 THR N S2 0.839355907441 0.043068553829 . . . . . . . . . . . . 70 GLU N 'S2, te' 0.879925688477 0.024695711126 2.21099754663e-11 9.34489453944e-12 . . . . . . . . . . 71 PHE N 'S2, te' 0.909565326315 0.0412213771979 3.94514047584e-11 5.14325010284e-10 . . . . . . . . . . 72 THR N 'S2, te, Rex' 0.701222992413 0.0570338775045 5.94470706105e-12 3.63666281875e-12 . . . . . . . . . . 74 THR N 'S2, te' 0.875907211811 0.0291434796477 1.63894996047e-11 1.25678209457e-11 . . . . . . . . . . 75 GLU N 'S2, te' 0.872345684737 0.11969232821 9.52788396078e-10 1.56280928752e-09 . . . . . . . . . . 76 LYS N 'S2f, S2, ts' 0.692581450371 0.0254224225751 . . 0.825587384617 0.0256102292366 0.838895389241 0.0187897112578 8.31976929324e-10 8.53812260306e-11 . . . . 77 ASP N 'S2f, S2, ts' 0.834409541002 0.0248782387033 . . 0.8749095355 0.0236798316289 0.953709506121 0.0131258789264 8.24845170206e-10 8.76241900131e-10 . . . . 79 TYR N S2 0.895392971786 0.038819597737 . . . . . . . . . . . . 81 CYS N 'S2, te' 0.904970889007 0.038682748595 2.45489725135e-11 8.24338665234e-11 . . . . . . . . . . 85 HIS N 'S2, te' 0.91441509071 0.0258072006354 1.69030356056e-11 1.97033768963e-11 . . . . . . . . . . 87 THR N 'S2, te' 0.917508776864 0.0420285618846 2.99754760104e-11 7.23224612513e-10 . . . . . . . . . . 88 LEU N S2 0.954084887691 0.0253683491901 . . . . . . . . . . . . 90 GLN N 'S2f, S2, ts' 0.863271425028 0.0158545536975 . . 0.916558063339 0.0135271679886 0.941862233892 0.00685803306153 7.39331303771e-10 9.92350948257e-11 . . . . 92 LYS N 'S2, te' 0.912756526457 0.041665684451 2.10410421414e-11 1.82143404717e-10 . . . . . . . . . . 93 ILE N 'S2, te' 0.866242950503 0.0220961800758 4.43210232249e-11 1.25413516944e-11 . . . . . . . . . . 94 VAL N S2 0.90275671158 0.043620273938 . . . . . . . . . . . . 95 LYS N 'S2f, S2, ts' 0.836841235504 0.0417684146768 . . 0.869377949069 0.0368115650828 0.962574719545 0.0203917585164 1.79974276032e-09 2.59203937599e-09 . . . . 96 TRP N 'S2, te' 0.828116426529 0.0470181148839 2.08936180697e-11 1.92026228245e-11 . . . . . . . . . . 96 TRP NE1 S2 0.742241822453 0.0416348081037 . . . . . . . . . . . . 98 ARG N S2 0.902395365341 0.0521210796512 . . . . . . . . . . . . 99 ASP N S2 0.948148394082 0.0241881736968 . . . . . . . . . . . . 100 MET N 'S2f, S2, ts' 0.774838349982 0.0215933904714 . . 0.837291710594 0.0227359007805 0.925410272403 0.0134628144674 6.50121695481e-10 1.19108812348e-10 . . . . 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' 0.815298129241 0.011464238226 5.90385929478e-12 2.8901429613e-12 . . . . . . . . . . 202 THR N 'S2f, S2, ts' 0.882901803374 0.00966134511031 . . 0.905037988088 0.011274784923 0.974225113205 0.00771976546683 7.12499361127e-10 9.6647108928e-10 . . . . 203 HIS N 'S2, te' 0.852757283276 0.00980448399407 1.14823513219e-11 3.82527247919e-12 . . . . . . . . . . 205 THR N 'S2, te, Rex' 0.849469358989 0.0105416638786 1.01272755426e-11 3.39412846231e-12 . . . . . . . . . . 206 HIS N 'S2f, tf, S2, ts' 0.823712916387 0.0117312315854 . . 0.847391734122 0.00934006832944 0.970725887398 0.011976163097 3.07900103631e-09 3.85689253726e-09 . . . . 209 ILE N 'S2f, S2, ts' 0.838739317838 0.0133134775445 . . 0.868571277428 0.025284996688 0.963029193741 0.0199122971503 4.55777472071e-10 1.61490819485e-10 . . . . 210 SER N 'S2f, S2, ts' 0.737012798956 0.00911829664351 . . 0.872363196214 0.00958531469982 0.842559897165 0.00612164792768 1.06150186507e-09 9.17350830977e-11 . . . . 212 HIS N 'S2f, S2, ts, Rex' 0.342710531138 0.175918920924 . . 0.475595351976 0.143628024474 0.718921128282 0.236863063995 1.56658114828e-09 6.75844546107e-10 . . . . 213 GLU N 'S2, te' 0.889116696315 0.00828859318945 3.04893605309e-11 5.79211592135e-12 . . . . . . . . . . 214 ALA N 'S2, te, Rex' 0.853672520094 0.0093277557645 6.37455017249e-12 3.31309766331e-12 . . . . . . . . . . 215 THR N 'S2, te, Rex' 0.803421902816 0.0086731305003 5.14482081872e-12 2.58021275424e-12 . . . . . . . . . . 218 CYS N S2 0.880702147263 0.0104906299827 . . . . . . . . . . . . 219 TRP N 'S2, Rex' 0.835102272085 0.0091561021719 . . . . . . . . . . . . 220 ALA N 'S2, Rex' 0.83108237171 0.00910680423909 . . . . . . . . . . . . 222 GLY N 'S2, te, Rex' 0.762598314951 0.0116942541476 1.62347087532e-11 2.70098430778e-12 . . . . . . . . . . 228 ILE N 'S2, te, Rex' 0.837520120304 0.0104136789799 1.05392015967e-11 3.65349664018e-12 . . . . . . . . . . 230 LEU N 'S2, te' 0.846979738902 0.00588345629141 1.16639707857e-11 2.78637314544e-12 . . . . . . . . . . 231 THR N 'S2, te' 0.863453441618 0.00647929370838 1.51117527239e-11 3.28646554322e-12 . . . . . . . . . . 232 TRP N 'S2, te, Rex' 0.856329348565 0.00859735838256 1.33182486788e-11 3.63970925588e-12 . . . . . . . . . . 233 GLN N 'S2, te' 0.864617523012 0.00711866352231 1.15337831715e-11 3.59070394593e-12 . . . . . . . . . . 234 ARG N 'S2, te' 0.865164698961 0.00636864408518 2.25330565889e-11 3.41462558867e-12 . . . . . . . . . . 235 ASP N 'S2f, tf, S2, ts' 0.882582111951 0.015687424776 . . 0.919440653578 0.0132938250182 0.958710140597 0.0169652830994 3.20586340226e-09 4.21390578752e-09 . . . . 236 GLY N 'S2f, S2, ts' 0.834167208316 0.0154036672377 . . 0.881874298258 0.0135638190972 0.944135459485 0.00700786265859 1.44745534652e-09 7.42120165932e-10 . . . . 237 GLU N 'S2, te' 0.952123395968 0.00643966098488 1.04923039668e-10 1.84970041439e-11 . . . . . . . . . . 242 ASP N 'S2f, tf, S2, ts' 0.850126555673 0.0162112365712 . . 0.88044122356 0.0161656045891 0.96309607335 0.0164349834335 2.41616412167e-09 3.50487172966e-09 . . . . 243 THR N 'S2f, S2, ts' 0.824323767993 0.00865656708767 . . 0.881855037783 0.00757039891428 0.93421931387 0.00473070256742 5.35518138033e-10 6.61678168674e-11 . . . . 244 GLU N 'S2, te, Rex' 0.863433212797 0.0113037384287 1.35251682062e-11 4.07218191643e-12 . . . . . . . . . . 245 LEU N 'S2f, S2, ts' 0.782674839622 0.0162305811223 . . 0.835444509782 0.00921034038854 0.936704267768 0.0233679479227 8.14986646916e-09 4.86462973617e-09 . . . . 246 VAL N 'S2, te' 0.854876740875 0.00789670736005 2.85715975968e-11 3.65612763384e-12 . . . . . . . . . . 247 GLU N 'S2f, S2, ts' 0.814944040974 0.00841043031433 . . 0.837424490542 0.0103645771088 0.97161848069 0.00793783888684 6.40201435708e-10 2.02813002092e-10 . . . . 249 ARG N 'S2, Rex' 0.88943715077 0.0119188180736 . . . . . . . . . . . . 251 ALA N 'S2, Rex' 0.82142420792 0.0123951125858 . . . . . . . . . . . . 252 GLY N 'S2f, S2, ts' 0.8870436033 0.0338540317195 . . 0.91869860744 0.0321323491138 0.964101037485 0.0151613536325 7.9754592115e-10 1.26675642263e-09 . . . . 253 ASP N 'S2, te' 0.979152329923 0.00961123871208 6.86375952834e-10 2.75475474258e-09 . . . . . . . . . . 255 THR N 'S2f, S2, ts' 0.77140923786 0.0254558453784 . . 0.867631929772 0.0215934116241 0.887603101474 0.0117280527838 6.84907993767e-10 9.53352547181e-11 . . . . 256 PHE N 'S2, te, Rex' 0.859568479985 0.0177271769177 1.13377215033e-11 6.06992326644e-12 . . . . . . . . . . 257 GLN N 'S2, te, Rex' 0.7935313155 0.0112450211449 4.68623601335e-12 2.61086394726e-12 . . . . . . . . . . 259 TRP N 'S2, Rex' 0.775988519788 0.00767159906153 . . . . . . . . . . . . 260 ALA N 'S2, te, Rex' 0.86202250526 0.00987391693021 6.22555514969e-12 3.20178349168e-12 . . . . . . . . . . 261 ALA N 'S2, te, Rex' 0.834977623417 0.0150251939649 6.73581721853e-12 4.09527722674e-12 . . . . . . . . . . 263 VAL N 'S2f, tf, S2, ts' 0.794128962856 0.0108259441657 . . 0.808952367388 0.00883929873194 0.981166699098 0.00851693440342 4.37127438409e-09 3.88744309053e-09 . . . . 266 SER N 'S2, te, Rex' 0.815358438603 0.00610938581816 1.46423660081e-11 2.10083731193e-12 . . . . . . . . . . 267 GLY N 'S2f, tf, S2, ts' 0.784398815002 0.0143678322779 . . 0.85491302937 0.0106272984877 0.922608876197 0.0139923782351 2.20437908762e-08 5.06775097819e-09 . . . . 269 GLU N 'S2, te, Rex' 0.807218570018 0.0136346950621 1.24753913966e-11 3.5962337752e-12 . . . . . . . . . . 270 GLN N 'S2, te, Rex' 0.903789166717 0.0128839818646 2.93985333349e-11 7.26227319611e-12 . . . . . . . . . . 272 TYR N 'S2f, tf, S2, ts' 0.699981036068 0.00968461902436 . . 0.748274683511 0.0101311752817 0.934605030397 0.0104032468018 2.29716342329e-09 1.6314751323e-09 . . . . 273 THR N 'S2f, S2, ts' 0.877150789879 0.0112557914894 . . 0.890060773234 0.00939066447652 0.985141464808 0.00456910516861 1.17945130601e-09 2.3021074695e-09 . . . . 274 CYS N 'S2, Rex' 0.864570820224 0.00958250125793 . . . . . . . . . . . . 275 HIS N S2 0.890322793118 0.00653819842383 . . . . . . . . . . . . 276 VAL N 'S2, Rex' 0.842915950738 0.00791961122587 . . . . . . . . . . . . 278 HIS N 'S2, te' 0.832129646823 0.0067191650645 4.0296618831e-12 2.6785521216e-12 . . . . . . . . . . 279 GLU N 'S2, te' 0.926192339875 0.00881620598038 4.21995244942e-11 9.13794729991e-12 . . . . . . . . . . 280 GLY N 'S2, te, Rex' 0.822523495855 0.0194960693548 1.07432422868e-11 6.12158236502e-12 . . . . . . . . . . 283 LYS N 'S2f, S2, ts' 0.825882499812 0.0116198106044 . . 0.875118439379 0.0229767259912 0.942223030114 0.0166783907675 3.62925488284e-10 1.00886081516e-10 . . . . 287 LEU N 'S2, te' 0.873752383239 0.00781839231838 1.55349384517e-11 3.98184062238e-12 . . . . . . . . . . 288 ARG N 'S2f, tf, S2, ts, Rex' 0.69338261891 0.0489671556375 . . 0.764111997188 0.0269418845742 0.908745823989 0.0445870861249 8.49558658358e-09 5.12807427043e-09 . . . . 289 TRP N 'S2f, S2, ts' 0.810499462168 0.00613271273607 . . 0.857481738641 0.005577090741 0.946468640183 0.00338212423127 9.97957326213e-10 1.06011810285e-10 . . . . 290 GLU N 'S2f, tf, S2, ts' 0.651910326347 0.00414451076522 . . 0.709327112919 0.00388807077271 0.91708243216 0.00388398867376 2.78771590901e-09 6.08946037113e-10 . . . . 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, tf, S2, ts' 0.689872084513 0.00838070000784 . . 0.786137949199 0.00664607822411 0.86752806441 0.00928198546499 3.27631087325e-09 9.17333688627e-10 . . . . 19 SER N 'S2, te, Rex' 0.743846891194 0.0205351371642 7.31141339181e-12 3.21544935373e-12 . . . . . . . . . . 28 SER N 'S2, te, Rex' 0.877945420291 0.010942322681 1.11975482318e-11 5.13119382415e-12 . . . . . . . . . . 31 GLY N 'S2f, tf, S2, ts' 0.370307366539 0.0591549200087 . . 0.504353246129 0.0330008116244 0.731697103948 0.116995554751 2.44616227017e-09 4.82413707578e-09 . . . . 33 GLY N 'S2, te, Rex' 0.253509940507 0.326851195201 6.47289939135e-12 4.16395241799e-10 . . . . . . . . . . 34 GLU N 'S2f, S2, ts' 0.757937961404 0.0111385740226 . . 0.858780804743 0.0108823537081 0.875598649476 0.0075247363886 1.09141604211e-09 1.39127387987e-10 . . . . 36 ARG N 'S2f, S2, ts' 0.879612245845 0.012240303192 . . 0.905134453189 0.0100297036026 0.965847597707 0.00649844664986 1.75127425176e-09 2.05161961296e-09 . . . . 37 PHE N 'S2, te, Rex' 0.913304599122 0.0110011618946 1.87387273325e-11 7.35394096609e-12 . . . . . . . . . . 38 ILE N 'S2, te' 0.903162495931 0.00769536068297 1.2627377137e-11 5.60930779949e-12 . . . . . . . . . . 40 VAL N 'S2f, S2, ts' 0.784496131494 0.0189547656323 . . 0.837568917313 0.0163704285535 0.935582648382 0.00940263846441 1.33628242054e-09 1.26308128026e-09 . . . . 41 GLY N 'S2, Rex' 0.862760452033 0.0210279369109 . . . . . . . . . . . . 44 ASP N 'S2, Rex' 0.796725476713 0.0130917482849 . . . . . . . . . . . . 45 ASP N 'S2, Rex' 0.841019762342 0.0293193234078 . . . . . . . . . . . . 46 THR N 'S2, Rex' 0.854949897382 0.024349349106 . . . . . . . . . . . . 47 LEU N 'S2, Rex' 0.786925997922 0.0221501192642 . . . . . . . . . . . . 49 VAL N 'S2, Rex' 0.897384131841 0.0278110779261 . . . . . . . . . . . . 50 ARG N 'S2f, S2, ts' 0.803369750617 0.0193338797186 . . 0.838276684363 0.0160866850418 0.954872550369 0.00996693406257 1.4964082299e-09 1.93411745846e-09 . . . . 51 PHE N 'S2, Rex' 0.885292875662 0.012381852422 . . . . . . . . . . . . 52 ASP N 'S2f, S2, ts, Rex' 0.609825414372 0.086729439657 . . 0.690218284008 0.0500917884197 0.876835654845 0.081431238437 5.73490599272e-09 4.69146569853e-09 . . . . 53 SER N 'S2, Rex' 0.881885687064 0.0103316853157 . . . . . . . . . . . . 54 ASP N 'S2, te, Rex' 0.863462496156 0.00945134642479 8.41422373118e-12 3.93303120021e-12 . . . . . . . . . . 55 ALA N 'S2f, S2, ts, Rex' 0.658016672613 0.0255729922434 . . 0.795472872737 0.0202416530076 0.821883444139 0.0117128251517 4.38537953096e-10 4.13014337911e-11 . . . . 57 SER N 'S2f, tf, S2, ts' 0.661180990213 0.0170800756425 . . 0.712198234662 0.0270022061354 0.929965764733 0.0296700762999 1.20146401674e-09 2.59530208618e-09 . . . . 63 ARG N 'S2, Rex' 0.76573316274 0.0187480390965 . . . . . . . . . . . . 64 ALA N 'S2, Rex' 0.821508779293 0.0167852301829 . . . . . . . . . . . . 66 TRP N 'S2, te' 0.965759639614 0.0161368522627 6.7723980973e-11 2.85197641465e-10 . . . . . . . . . . 67 ILE N 'S2, te, Rex' 0.875207218394 0.0265312887963 2.04518659444e-11 1.01299549211e-11 . . . . . . . . . . 68 GLU N 'S2, te, Rex' 0.84326988321 0.0201382161936 1.27557845712e-11 6.17128022718e-12 . . . . . . . . . . 70 GLU N 'S2, te, Rex' 0.871412952338 0.0125297032416 1.90250612292e-11 4.33090063626e-12 . . . . . . . . . . 71 GLY N 'S2f, S2, ts' 0.529819550954 0.034708825264 . . 0.872564487739 0.014656218327 0.963862358619 0.0525353112025 4.22305121947e-08 6.20706662367e-09 . . . . 73 GLU N S2 0.908773275456 0.0119740024948 . . . . . . . . . . . . 74 TYR N 'S2f, S2, ts' 0.87515939112 0.0163045363497 . . 0.903752822914 0.01403063087 0.963803073318 0.00711568984961 1.41948530097e-09 1.84617461033e-09 . . . . 77 ARG N 'S2, te, Rex' 0.935424759838 0.0124689502087 2.63884539912e-11 8.85265782852e-12 . . . . . . . . . . 82 CYS N S2 0.959955710414 0.0212174367123 . . . . . . . . . . . . 83 LYS N 'S2, Rex' 0.929119066926 0.0135217881578 . . . . . . . . . . . . 87 GLN N S2 0.938439968562 0.0135088292653 . . . . . . . . . . . . 90 ARG N 'S2, te' 0.954566453871 0.0132236933116 3.11919870311e-11 2.40841664221e-11 . . . . . . . . . . 92 ASP N 'S2, Rex' 0.966782403831 0.0184168259925 . . . . . . . . . . . . 93 LEU N 'S2, Rex' 0.923729564137 0.0104813743104 . . . . . . . . . . . . 94 ARG N S2 0.92859747036 0.0172423464953 . . . . . . . . . . . . 95 THR N 'S2f, S2, ts' 0.185672102427 0.00120619926433 . . 0.706133629356 0.00431679166552 0.261088769609 0.00197740234321 9.69228445451e-10 1.24213998308e-11 . . . . 96 LEU N 'S2f, S2, ts' 0.86862140263 0.0378624224396 . . 0.915751582209 0.0311006436964 0.939142301257 0.0155909481472 1.22401882704e-09 1.78891886271e-09 . . . . 100 TYR N 'S2, Rex' 0.849921328374 0.0126788661826 . . . . . . . . . . . . 102 GLN N 'S2, te' 0.938407509152 0.0159081240666 4.47349037e-11 1.81800793757e-11 . . . . . . . . . . 106 GLY N 'S2f, S2, ts' 0.607688277111 0.0218394850423 . . 0.787184978287 0.0215379932012 0.785090060306 0.0166933736032 4.82894391804e-10 4.48673794075e-11 . . . . 107 SER N 'S2f, tf, S2, ts' 0.744145110267 0.0138563810584 . . 0.762631412023 0.0153112046834 0.978116355223 0.0151160734539 2.69671702584e-09 2.96466799048e-09 . . . . 108 HIS N 'S2f, S2, ts' 0.847464272942 0.012307262084 . . 0.859011809798 0.031011555714 0.983137338965 0.0261891845607 7.39422526653e-10 9.40564798648e-10 . . . . 109 THR N S2 0.864319458166 0.00652024496182 . . . . . . . . . . . . 110 LEU N 'S2, Rex' 0.872923517662 0.0153344590429 . . . . . . . . . . . . 112 ASN N 'S2, te, Rex' 0.813672038783 0.0190429812793 1.29414260555e-11 5.35123041112e-12 . . . . . . . . . . 115 GLY N 'S2, te, Rex' 0.876592387982 0.0266653247522 1.65454289157e-11 9.0460165569e-12 . . . . . . . . . . 116 CYS N 'S2, Rex' 0.886938918642 0.0231451771728 . . . . . . . . . . . . 118 VAL N 'S2, Rex' 0.800511705071 0.0110337280907 . . . . . . . . . . . . 119 GLY N 'S2, te, Rex' 0.819941419143 0.0134084986014 7.87033529281e-12 3.6818199984e-12 . . . . . . . . . . 121 ASP N 'S2f, S2, ts' 0.806271284946 0.0114624851566 . . 0.885760213641 0.0112029438346 0.905666138216 0.00614761193802 9.67985995677e-10 1.2667779241e-10 . . . . 122 GLY N 'S2f, S2, ts' 0.89616805881 0.0198549914911 . . 0.922034970586 0.0177895773071 0.971080038864 0.00769629830835 8.13758448859e-10 1.27766508069e-09 . . . . 125 LEU N 'S2, Rex' 0.867791333882 0.0255432814513 . . . . . . . . . . . . 126 ARG N S2 0.851825651673 0.0204492345529 . . . . . . . . . . . . 127 GLY N 'S2, te' 0.875730423207 0.0201245097965 1.83278082025e-11 8.75332922391e-12 . . . . . . . . . . 129 HIS N 'S2, Rex' 0.830134229129 0.0223569308278 . . . . . . . . . . . . 130 GLN N 'S2, Rex' 0.910649658379 0.0200718048867 . . . . . . . . . . . . 132 ALA N 'S2, Rex' 0.860059421137 0.020437744253 . . . . . . . . . . . . 134 ASP N 'S2, te, Rex' 0.846250122496 0.0203226813505 1.95503746161e-11 6.67031920609e-12 . . . . . . . . . . 135 GLY N S2 0.872690987339 0.0235352715095 . . . . . . . . . . . . 137 ASP N 'S2, te' 0.88936453583 0.015792034308 2.46104774736e-11 7.9079811876e-12 . . . . . . . . . . 139 ILE N 'S2, te, Rex' 0.861846706871 0.0248521933541 2.0584899711e-11 8.2863548325e-12 . . . . . . . . . . 140 ALA N 'S2, Rex' 0.861459108705 0.0145679001914 . . . . . . . . . . . . 141 LEU N 'S2, Rex' 0.847299659687 0.0359791784303 . . . . . . . . . . . . 143 GLU N 'S2, te' 0.93039762233 0.0128209051783 1.27864227628e-11 1.07016653287e-11 . . . . . . . . . . 144 ASP N 'S2f, S2, ts' 0.832819821854 0.0218523926969 . . 0.904441695216 0.0138254735519 0.910493915374 0.0298964615667 7.40336798022e-09 4.7173694222e-09 . . . . 145 LEU N 'S2, Rex' 0.895960252587 0.0102955540672 . . . . . . . . . . . . 146 SER N 'S2, te, Rex' 0.832828918418 0.0177927312771 1.03369719301e-11 5.14658297301e-12 . . . . . . . . . . 147 SER N 'S2, te, Rex' 0.72626525681 0.0171741786901 1.90189626291e-11 2.81588198773e-12 . . . . . . . . . . 149 THR N 'S2, Rex' 0.82478113834 0.00924795546364 . . . . . . . . . . . . 150 ALA N 'S2, Rex' 0.932418692902 0.00776600271602 . . . . . . . . . . . . 151 ALA N 'S2f, S2, ts' 0.871569010049 0.011621967846 . . 0.921781192874 0.0102984975749 0.964573422786 0.00563325012883 8.86722766165e-10 1.60045777383e-10 . . . . 152 ASP N 'S2f, tf, S2, ts' 0.865049290939 0.015812543076 . . 0.891525860812 0.0165540298306 0.962927928854 0.0124173537283 1.84164306695e-09 2.80132706772e-09 . . . . 153 THR N 'S2, te' 0.947559133297 0.0211945775093 6.86502979028e-10 2.52838554011e-09 . . . . . . . . . . 154 ALA N 'S2, te' 0.973157574056 0.00705872361609 5.90405143028e-10 4.85094534645e-10 . . . . . . . . . . 155 ALA N S2 0.895905003724 0.0191642242277 . . . . . . . . . . . . 156 GLN N 'S2, Rex' 0.933835267789 0.0110121468591 . . . . . . . . . . . . 157 ILE N 'S2, Rex' 0.83803422141 0.0130252150997 . . . . . . . . . . . . 158 THR N 'S2, Rex' 0.843074380538 0.0261543336147 . . . . . . . . . . . . 160 ARG N 'S2, te, Rex' 0.871454299849 0.0127754562193 1.02251053431e-11 4.74794445267e-12 . . . . . . . . . . 161 LYS N 'S2, Rex' 0.870024197465 0.0235568870652 . . . . . . . . . . . . 162 TRP N 'S2, Rex' 0.879275515718 0.019867607987 . . . . . . . . . . . . 163 GLU N 'S2, Rex' 0.951699392546 0.0151218352249 . . . . . . . . . . . . 165 ALA N 'S2, te, Rex' 0.847735420047 0.0121450659838 7.06278526139e-12 4.14843454258e-12 . . . . . . . . . . 166 ARG N 'S2f, S2, ts' 0.833322910889 0.0224503836732 . . 0.899474322903 0.0141805171372 0.890356466182 0.0227899765672 1.08176018008e-08 4.89359602269e-09 . . . . 167 VAL N 'S2, te' 0.973211722779 0.0137963752776 7.99284232898e-11 3.74026887749e-10 . . . . . . . . . . 168 ALA N 'S2f, S2, ts' 0.896744995911 0.0124213812728 . . 0.927388087794 0.0108715797174 0.958386929006 0.00477469708507 6.76673129697e-10 1.74229606744e-10 . . . . 172 ARG N 'S2, Rex' 0.894739383573 0.0127337916562 . . . . . . . . . . . . 173 ALA N 'S2, Rex' 0.917885638716 0.0185068983895 . . . . . . . . . . . . 175 LEU N S2 0.887101031828 0.0273518491312 . . . . . . . . . . . . 176 GLU N S2 0.853468346369 0.015001979676 . . . . . . . . . . . . 177 GLY N 'S2, te, Rex' 0.839939246803 0.0154506281504 1.48014505493e-11 4.43659213803e-12 . . . . . . . . . . 178 GLU N 'S2, te, Rex' 0.835959494713 0.0231323113545 2.71392524505e-11 6.17946850563e-12 . . . . . . . . . . 179 CYS N 'S2, te, Rex' 0.884383933394 0.0370581718944 2.08907966912e-11 1.68069795047e-11 . . . . . . . . . . 180 VAL N 'S2, Rex' 0.78837698672 0.0165036166996 . . . . . . . . . . . . 184 ARG N 'S2, Rex' 0.831109269003 0.0198411649383 . . . . . . . . . . . . 185 ARG N 'S2, Rex' 0.875955321754 0.0172917771742 . . . . . . . . . . . . 187 LEU N 'S2, te, Rex' 0.809779777921 0.0207599720282 1.03523806134e-11 4.1231571639e-12 . . . . . . . . . . 190 GLY N 'S2, Rex' 0.840883438704 0.0185793870688 . . . . . . . . . . . . 191 LYS N S2 0.966981039995 0.0105572698868 . . . . . . . . . . . . 192 GLU N 'S2, te' 0.969060675231 0.00956516312709 1.0250296715e-09 2.1822014615e-09 . . . . . . . . . . 193 THR N 'S2, te, Rex' 0.950136250424 0.0239426022087 6.91711879708e-11 1.90969743338e-10 . . . . . . . . . . 194 LEU N 'S2f, S2, ts, Rex' 0.685938275222 0.218429726835 . . 0.758053252019 0.166267343552 0.902982527943 0.176101073276 1.53115366852e-09 2.58409575093e-09 . . . . stop_ save_