data_17080 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Shc-PTB:biphosphorylated integrin beta3 cytoplasmic tail complex (1:1) ; _BMRB_accession_number 17080 _BMRB_flat_file_name bmr17080.str _Entry_type new _Submission_date 2010-07-27 _Accession_date 2010-07-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Deshmukh Lalit . . 2 Gorbatyuk Vitaliy . . 3 Vinogradova Olga . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 T1_relaxation 1 T2_relaxation 1 heteronucl_NOE 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1082 "13C chemical shifts" 720 "15N chemical shifts" 181 "T1 relaxation values" 154 "T2 relaxation values" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-09 update BMRB 'update entry citation' 2010-09-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Integrin {beta}3 phosphorylation dictates its complex with the Shc phosphotyrosine-binding (PTB) domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20739287 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Deshmukh Lalit . . 2 Gorbatyuk Vitaliy . . 3 Vinogradova Olga . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 45 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 34875 _Page_last 34884 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Shc-PTB complex with Integrin beta3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Shc PTB domain' $Shc_PTB 'Integrin beta3' $Integrin_beta3 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_Shc_PTB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Shc-PTB _Molecular_mass 20996.234 _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 211 _Mol_residue_sequence ; GSSHHHHHHSSGLVPRGSHM GQLGGEEWTRHGSFVNKPTR GWLHPNDKVMGPGVSYLVRY MGCVEVLQSMRALDFNTRTQ VTREAISLVCEAVPGAKGAT RRRKPCSRPLSSILGRSNLK FAGMPITLTVSTSSLNLMAA DCKQIIANHHMQSISFASGG DPDTAEYVAYVAKDPVNQRA CHILECPEGLAQDVISTIGQ AFELRFKQYLR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 SER 4 0 HIS 5 1 HIS 6 2 HIS 7 3 HIS 8 4 HIS 9 5 HIS 10 6 SER 11 7 SER 12 8 GLY 13 9 LEU 14 10 VAL 15 11 PRO 16 12 ARG 17 13 GLY 18 14 SER 19 15 HIS 20 16 MET 21 17 GLY 22 18 GLN 23 19 LEU 24 20 GLY 25 21 GLY 26 22 GLU 27 23 GLU 28 24 TRP 29 25 THR 30 26 ARG 31 27 HIS 32 28 GLY 33 29 SER 34 30 PHE 35 31 VAL 36 32 ASN 37 33 LYS 38 34 PRO 39 35 THR 40 36 ARG 41 37 GLY 42 38 TRP 43 39 LEU 44 40 HIS 45 41 PRO 46 42 ASN 47 43 ASP 48 44 LYS 49 45 VAL 50 46 MET 51 47 GLY 52 48 PRO 53 49 GLY 54 50 VAL 55 51 SER 56 52 TYR 57 53 LEU 58 54 VAL 59 55 ARG 60 56 TYR 61 57 MET 62 58 GLY 63 59 CYS 64 60 VAL 65 61 GLU 66 62 VAL 67 63 LEU 68 64 GLN 69 65 SER 70 66 MET 71 67 ARG 72 68 ALA 73 69 LEU 74 70 ASP 75 71 PHE 76 72 ASN 77 73 THR 78 74 ARG 79 75 THR 80 76 GLN 81 77 VAL 82 78 THR 83 79 ARG 84 80 GLU 85 81 ALA 86 82 ILE 87 83 SER 88 84 LEU 89 85 VAL 90 86 CYS 91 87 GLU 92 88 ALA 93 89 VAL 94 90 PRO 95 91 GLY 96 92 ALA 97 93 LYS 98 94 GLY 99 95 ALA 100 96 THR 101 97 ARG 102 98 ARG 103 99 ARG 104 100 LYS 105 101 PRO 106 102 CYS 107 103 SER 108 104 ARG 109 105 PRO 110 106 LEU 111 107 SER 112 108 SER 113 109 ILE 114 110 LEU 115 111 GLY 116 112 ARG 117 113 SER 118 114 ASN 119 115 LEU 120 116 LYS 121 117 PHE 122 118 ALA 123 119 GLY 124 120 MET 125 121 PRO 126 122 ILE 127 123 THR 128 124 LEU 129 125 THR 130 126 VAL 131 127 SER 132 128 THR 133 129 SER 134 130 SER 135 131 LEU 136 132 ASN 137 133 LEU 138 134 MET 139 135 ALA 140 136 ALA 141 137 ASP 142 138 CYS 143 139 LYS 144 140 GLN 145 141 ILE 146 142 ILE 147 143 ALA 148 144 ASN 149 145 HIS 150 146 HIS 151 147 MET 152 148 GLN 153 149 SER 154 150 ILE 155 151 SER 156 152 PHE 157 153 ALA 158 154 SER 159 155 GLY 160 156 GLY 161 157 ASP 162 158 PRO 163 159 ASP 164 160 THR 165 161 ALA 166 162 GLU 167 163 TYR 168 164 VAL 169 165 ALA 170 166 TYR 171 167 VAL 172 168 ALA 173 169 LYS 174 170 ASP 175 171 PRO 176 172 VAL 177 173 ASN 178 174 GLN 179 175 ARG 180 176 ALA 181 177 CYS 182 178 HIS 183 179 ILE 184 180 LEU 185 181 GLU 186 182 CYS 187 183 PRO 188 184 GLU 189 185 GLY 190 186 LEU 191 187 ALA 192 188 GLN 193 189 ASP 194 190 VAL 195 191 ILE 196 192 SER 197 193 THR 198 194 ILE 199 195 GLY 200 196 GLN 201 197 ALA 202 198 PHE 203 199 GLU 204 200 LEU 205 201 ARG 206 202 PHE 207 203 LYS 208 204 GLN 209 205 TYR 210 206 LEU 211 207 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1N3H "Coupling Of Folding And Binding In The Ptb Domain Of The Signaling Protein Shc" 90.52 207 100.00 100.00 7.87e-140 PDB 1OY2 "Coupling Of Folding And Binding In The Ptb Domain Of The Signaling Protein Shc" 90.52 207 100.00 100.00 7.87e-140 PDB 1SHC "Shc Ptb Domain Complexed With A Trka Receptor Phosphopeptide, Nmr, Minimized Average Structure" 92.42 195 100.00 100.00 4.50e-143 PDB 2L1C "Shc-Ptb:biphosphorylated Integrin Beta3 Cytoplasmic Tail Complex (1:1)" 100.00 211 100.00 100.00 1.52e-155 PDB 4XWX "Crystal Structure Of The Ptb Domain Of Shc" 78.20 167 100.00 100.00 6.35e-118 DBJ BAA74950 "shc transforming protein [Rattus norvegicus]" 65.40 138 100.00 100.00 1.73e-95 DBJ BAC33706 "unnamed protein product [Mus musculus]" 90.52 469 100.00 100.00 2.14e-135 DBJ BAE33083 "unnamed protein product [Mus musculus]" 90.52 579 100.00 100.00 8.47e-135 DBJ BAF84832 "unnamed protein product [Homo sapiens]" 90.52 474 100.00 100.00 1.92e-135 DBJ BAF98733 "unnamed protein product [Homo sapiens]" 90.52 474 100.00 100.00 1.92e-135 EMBL CAA48251 "SHC transforming protein [Homo sapiens]" 90.52 473 100.00 100.00 1.86e-135 EMBL CAA70977 "shc p66 [Homo sapiens]" 90.52 583 100.00 100.00 6.53e-135 EMBL CAH92143 "hypothetical protein [Pongo abelii]" 90.52 583 100.00 100.00 9.64e-135 GB AAA91777 "src homology collagen protein 66 kDa isoform [Mus musculus]" 90.52 579 100.00 100.00 8.47e-135 GB AAB49972 "p66shc [Homo sapiens]" 90.52 583 100.00 100.00 7.60e-135 GB AAC52146 "Shcp52 [Mus musculus]" 90.52 469 100.00 100.00 2.14e-135 GB AAH14158 "SHC (Src homology 2 domain containing) transforming protein 1 [Homo sapiens]" 90.52 474 100.00 100.00 1.92e-135 GB AAH36172 "Src homology 2 domain-containing transforming protein C1 [Mus musculus]" 90.52 469 100.00 100.00 2.14e-135 REF NP_001068773 "SHC-transforming protein 1 isoform b [Bos taurus]" 90.52 473 100.00 100.00 1.19e-135 REF NP_001106802 "SHC-transforming protein 1 isoform a [Mus musculus]" 90.52 579 100.00 100.00 8.47e-135 REF NP_001123512 "SHC-transforming protein 1 isoform 3 [Homo sapiens]" 90.52 584 100.00 100.00 7.83e-135 REF NP_001123513 "SHC-transforming protein 1 isoform 4 [Homo sapiens]" 90.52 473 100.00 100.00 1.86e-135 REF NP_001126253 "SHC-transforming protein 1 [Pongo abelii]" 90.52 583 100.00 100.00 9.64e-135 SP P29353 "RecName: Full=SHC-transforming protein 1; AltName: Full=SHC-transforming protein 3; AltName: Full=SHC-transforming protein A; A" 90.52 583 100.00 100.00 6.82e-135 SP P98083 "RecName: Full=SHC-transforming protein 1; AltName: Full=SHC-transforming protein A; AltName: Full=Src homology 2 domain-contain" 90.52 579 100.00 100.00 8.47e-135 SP Q0IIE2 "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" 90.52 473 100.00 100.00 1.19e-135 SP Q5M824 "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" 90.52 469 99.48 99.48 1.27e-134 SP Q5R7W7 "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" 90.52 583 100.00 100.00 9.64e-135 TPG DAA31779 "TPA: SHC-transforming protein 1 isoform b [Bos taurus]" 90.52 473 100.00 100.00 1.19e-135 TPG DAA31780 "TPA: SHC-transforming protein 1 isoform a [Bos taurus]" 90.52 583 100.00 100.00 3.23e-135 stop_ save_ save_Integrin_beta3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Integrin_beta3 _Molecular_mass 3284.411 _Mol_thiol_state 'not present' _Details . _Residue_count 27 _Mol_residue_sequence ; RAKWDTANNPLXKEATSTFT NITXRGT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 736 ARG 2 737 ALA 3 738 LYS 4 739 TRP 5 740 ASP 6 741 THR 7 742 ALA 8 743 ASN 9 744 ASN 10 745 PRO 11 746 LEU 12 747 PTR 13 748 LYS 14 749 GLU 15 750 ALA 16 751 THR 17 752 SER 18 753 THR 19 754 PHE 20 755 THR 21 756 ASN 22 757 ILE 23 758 THR 24 759 PTR 25 760 ARG 26 761 GLY 27 762 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-10 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17931 biphosphorylated_beta3_integrin 100.00 67 100.00 100.00 6.13e-08 PDB 2L1C "Shc-Ptb:biphosphorylated Integrin Beta3 Cytoplasmic Tail Complex (1:1)" 100.00 27 100.00 100.00 2.52e-07 PDB 2LJE "Biphosphorylated (747py, 759py) Beta3 Integrin Cytoplasmic Tail Under Membrane Mimetic Conditions" 100.00 67 100.00 100.00 6.13e-08 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_PTR _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common O-PHOSPHOTYROSINE _BMRB_code . _PDB_code PTR _Standard_residue_derivative . _Molecular_mass 261.168 _Mol_paramagnetic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:53:47 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD1 CD1 C . 0 . ? CD2 CD2 C . 0 . ? CE1 CE1 C . 0 . ? CE2 CE2 C . 0 . ? CZ CZ C . 0 . ? OH OH O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? HN2 HN2 H . 0 . ? HA HA H . 0 . ? HXT HXT H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HO2P HO2P H . 0 . ? HO3P HO3P H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N HN2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? DOUB CG CD1 ? ? SING CG CD2 ? ? SING CD1 CE1 ? ? SING CD1 HD1 ? ? DOUB CD2 CE2 ? ? SING CD2 HD2 ? ? DOUB CE1 CZ ? ? SING CE1 HE1 ? ? SING CE2 CZ ? ? SING CE2 HE2 ? ? SING CZ OH ? ? SING OH P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HO2P ? ? SING O3P HO3P ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Shc_PTB Human 9606 Eukaryota Metazoa . . $Integrin_beta3 . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Shc_PTB 'recombinant technology' . . . . Pet15b $Integrin_beta3 'chemical synthesis' . . . . . 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 $Shc_PTB 0.4 mM '[U-99% 13C; U-99% 15N]' $Integrin_beta3 0.8 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' DSS 1 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPN-Analysis _Saveframe_category software _Name CCPN-Analysis _Version 2.1.3 loop_ _Vendor _Address _Electronic_address '(CCPN-Analysis)-Vranken,Boucher, Stevens, Fogh, Pajon,Llinas,Ulrich,Markley,Ionides,Laue' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'equiped with inverse triple resonance cold-probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_edited_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N edited NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C edited NOESY' _Sample_label $sample_1 save_ save_3D_HNCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_1H-13C_aromatic_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C aromatic NOESY' _Sample_label $sample_1 save_ save_2D_13C,15N_FilteredTOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N FilteredTOCSY' _Sample_label $sample_1 save_ save_2D_13C,15N_Filtered_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N Filtered NOESY' _Sample_label $sample_1 save_ save_3D_F1_13C,15N_Filtered,_F2_13C_edited_NOESY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F1 13C,15N Filtered, F2 13C edited NOESY-HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_Het_NOE_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N Het NOE' _Sample_label $sample_1 save_ save_2D_1H-15N_T1-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T1-HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_T2-HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T2-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 273 . K pH 6.5 . pH pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPN-Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D 1H-15N edited NOESY' '3D 1H-13C edited NOESY' '3D HNCACO' '3D 1H-13C aromatic NOESY' '2D 13C,15N FilteredTOCSY' '2D 13C,15N Filtered NOESY' '3D F1 13C,15N Filtered, F2 13C edited NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Shc PTB domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 17 21 GLY HA2 H 3.954 0.02 2 2 17 21 GLY HA3 H 3.954 0.02 2 3 17 21 GLY C C 171.519 0.02 1 4 17 21 GLY CA C 45.319 0.02 1 5 17 21 GLY N N 109.762 0.02 1 6 18 22 GLN H H 8.192 0.02 1 7 18 22 GLN HA H 4.375 0.02 1 8 18 22 GLN HB2 H 1.980 0.02 2 9 18 22 GLN HB3 H 2.110 0.02 2 10 18 22 GLN HE21 H 7.480 0.02 2 11 18 22 GLN HE22 H 6.748 0.02 2 12 18 22 GLN HG2 H 2.290 0.02 2 13 18 22 GLN HG3 H 2.290 0.02 2 14 18 22 GLN C C 173.638 0.02 1 15 18 22 GLN CA C 55.760 0.02 1 16 18 22 GLN CB C 29.580 0.02 1 17 18 22 GLN CG C 33.594 0.02 1 18 18 22 GLN N N 119.924 0.02 1 19 18 22 GLN NE2 N 111.615 0.02 1 20 19 23 LEU H H 8.311 0.02 1 21 19 23 LEU HA H 4.358 0.02 1 22 19 23 LEU HB2 H 1.630 0.02 2 23 19 23 LEU HB3 H 1.630 0.02 2 24 19 23 LEU HD1 H 0.746 0.02 1 25 19 23 LEU HD2 H 0.832 0.02 1 26 19 23 LEU HG H 1.452 0.02 1 27 19 23 LEU C C 175.274 0.02 1 28 19 23 LEU CA C 55.026 0.02 1 29 19 23 LEU CB C 41.878 0.02 1 30 19 23 LEU CD1 C 20.498 0.02 2 31 19 23 LEU CD2 C 23.144 0.02 2 32 19 23 LEU CG C 23.350 0.02 1 33 19 23 LEU N N 123.385 0.02 1 34 20 24 GLY H H 8.358 0.02 1 35 20 24 GLY HA2 H 3.954 0.02 2 36 20 24 GLY HA3 H 3.954 0.02 2 37 20 24 GLY C C 172.124 0.02 1 38 20 24 GLY CA C 44.844 0.02 1 39 20 24 GLY N N 109.759 0.02 1 40 21 25 GLY H H 8.222 0.02 1 41 21 25 GLY HA2 H 3.954 0.02 2 42 21 25 GLY HA3 H 3.954 0.02 2 43 21 25 GLY C C 172.033 0.02 1 44 21 25 GLY CA C 44.844 0.02 1 45 21 25 GLY N N 108.822 0.02 1 46 22 26 GLU H H 8.439 0.02 1 47 22 26 GLU HA H 4.290 0.02 1 48 22 26 GLU HB2 H 1.860 0.02 2 49 22 26 GLU HB3 H 1.922 0.02 2 50 22 26 GLU HG2 H 2.256 0.02 2 51 22 26 GLU HG3 H 2.256 0.02 2 52 22 26 GLU C C 174.607 0.02 1 53 22 26 GLU CA C 56.595 0.02 1 54 22 26 GLU CB C 30.076 0.02 1 55 22 26 GLU CG C 35.877 0.02 1 56 22 26 GLU N N 120.621 0.02 1 57 23 27 GLU H H 8.629 0.02 1 58 23 27 GLU HA H 4.173 0.02 1 59 23 27 GLU HB2 H 1.949 0.02 2 60 23 27 GLU HB3 H 1.949 0.02 2 61 23 27 GLU HG2 H 2.248 0.02 2 62 23 27 GLU HG3 H 2.248 0.02 2 63 23 27 GLU C C 174.456 0.02 1 64 23 27 GLU CA C 57.600 0.02 1 65 23 27 GLU CB C 29.620 0.02 1 66 23 27 GLU CG C 35.868 0.02 1 67 23 27 GLU N N 121.361 0.02 1 68 24 28 TRP H H 8.015 0.02 1 69 24 28 TRP HA H 4.609 0.02 1 70 24 28 TRP HB2 H 3.292 0.02 2 71 24 28 TRP HB3 H 3.355 0.02 2 72 24 28 TRP HD1 H 7.245 0.02 1 73 24 28 TRP HE1 H 10.090 0.02 1 74 24 28 TRP HE3 H 7.558 0.02 1 75 24 28 TRP HZ2 H 7.418 0.02 1 76 24 28 TRP C C 174.349 0.02 1 77 24 28 TRP CA C 57.948 0.02 1 78 24 28 TRP CB C 28.855 0.02 1 79 24 28 TRP CD1 C 127.278 0.02 1 80 24 28 TRP CE3 C 120.853 0.02 1 81 24 28 TRP CZ2 C 114.017 0.02 1 82 24 28 TRP N N 120.415 0.02 1 83 24 28 TRP NE1 N 129.585 0.02 1 84 25 29 THR H H 7.757 0.02 1 85 25 29 THR HA H 4.592 0.02 1 86 25 29 THR HB H 4.121 0.02 1 87 25 29 THR HG2 H 1.168 0.02 1 88 25 29 THR C C 172.289 0.02 1 89 25 29 THR CA C 61.813 0.02 1 90 25 29 THR CB C 68.724 0.02 1 91 25 29 THR CG2 C 21.235 0.02 1 92 25 29 THR N N 112.986 0.02 1 93 27 31 HIS HA H 3.954 0.02 1 94 27 31 HIS CA C 54.515 0.02 1 95 28 32 GLY H H 8.435 0.02 1 96 28 32 GLY HA2 H 3.954 0.02 2 97 28 32 GLY HA3 H 3.954 0.02 2 98 28 32 GLY C C 177.151 0.02 1 99 28 32 GLY CA C 44.844 0.02 1 100 28 32 GLY N N 109.012 0.02 1 101 29 33 SER H H 8.156 0.02 1 102 29 33 SER HA H 4.061 0.02 1 103 29 33 SER C C 174.789 0.02 1 104 29 33 SER CA C 57.899 0.02 1 105 29 33 SER N N 115.810 0.02 1 106 30 34 PHE H H 9.795 0.02 1 107 30 34 PHE HA H 4.165 0.02 1 108 30 34 PHE HB2 H 3.122 0.02 2 109 30 34 PHE HB3 H 3.122 0.02 2 110 30 34 PHE CA C 57.288 0.02 1 111 30 34 PHE N N 127.384 0.02 1 112 35 39 THR HA H 4.146 0.02 1 113 35 39 THR HG2 H 1.164 0.02 1 114 35 39 THR C C 172.942 0.02 1 115 35 39 THR CA C 62.689 0.02 1 116 35 39 THR CG2 C 20.600 0.02 1 117 36 40 ARG H H 8.380 0.02 1 118 36 40 ARG HA H 4.320 0.02 1 119 36 40 ARG HB2 H 1.650 0.02 2 120 36 40 ARG HB3 H 1.650 0.02 2 121 36 40 ARG C C 173.669 0.02 1 122 36 40 ARG CA C 56.011 0.02 1 123 36 40 ARG CB C 26.572 0.02 1 124 36 40 ARG N N 121.511 0.02 1 125 37 41 GLY H H 7.960 0.02 1 126 37 41 GLY HA2 H 3.900 0.02 2 127 37 41 GLY HA3 H 3.900 0.02 2 128 37 41 GLY C C 170.822 0.02 1 129 37 41 GLY CA C 43.910 0.02 1 130 37 41 GLY N N 109.003 0.02 1 131 38 42 TRP H H 7.960 0.02 1 132 38 42 TRP HA H 4.900 0.02 1 133 38 42 TRP HB2 H 3.190 0.02 2 134 38 42 TRP HB3 H 3.190 0.02 2 135 38 42 TRP HD1 H 7.282 0.02 1 136 38 42 TRP HE1 H 10.326 0.02 1 137 38 42 TRP HE3 H 7.740 0.02 1 138 38 42 TRP HZ2 H 7.415 0.02 1 139 38 42 TRP C C 175.031 0.02 1 140 38 42 TRP CA C 55.026 0.02 1 141 38 42 TRP CB C 30.204 0.02 1 142 38 42 TRP CD1 C 127.419 0.02 1 143 38 42 TRP CE3 C 121.802 0.02 1 144 38 42 TRP CZ2 C 113.438 0.02 1 145 38 42 TRP N N 119.683 0.02 1 146 38 42 TRP NE1 N 129.363 0.02 1 147 39 43 LEU H H 8.993 0.02 1 148 39 43 LEU HA H 4.106 0.02 1 149 39 43 LEU HB2 H 1.280 0.02 2 150 39 43 LEU HB3 H 1.094 0.02 2 151 39 43 LEU HD1 H 0.785 0.02 1 152 39 43 LEU HD2 H 0.947 0.02 1 153 39 43 LEU HG H 1.596 0.02 1 154 39 43 LEU C C 174.577 0.02 1 155 39 43 LEU CA C 55.823 0.02 1 156 39 43 LEU CB C 42.760 0.02 1 157 39 43 LEU CD1 C 22.800 0.02 2 158 39 43 LEU CD2 C 25.088 0.02 2 159 39 43 LEU CG C 26.783 0.02 1 160 39 43 LEU N N 119.972 0.02 1 161 40 44 HIS H H 7.113 0.02 1 162 40 44 HIS HA H 5.127 0.02 1 163 40 44 HIS HB2 H 2.673 0.02 2 164 40 44 HIS HB3 H 2.673 0.02 2 165 40 44 HIS HD2 H 6.821 0.02 1 166 40 44 HIS HE1 H 7.822 0.02 1 167 40 44 HIS CA C 52.782 0.02 1 168 40 44 HIS CB C 31.708 0.02 1 169 40 44 HIS CD2 C 119.514 0.02 1 170 40 44 HIS CE1 C 138.154 0.02 1 171 40 44 HIS N N 115.086 0.02 1 172 41 45 PRO HA H 4.531 0.02 1 173 41 45 PRO HB2 H 2.097 0.02 2 174 41 45 PRO HB3 H 2.097 0.02 2 175 41 45 PRO HD2 H 4.031 0.02 2 176 41 45 PRO HD3 H 4.031 0.02 2 177 41 45 PRO HG2 H 1.978 0.02 2 178 41 45 PRO HG3 H 1.978 0.02 2 179 41 45 PRO C C 175.788 0.02 1 180 41 45 PRO CA C 62.290 0.02 1 181 41 45 PRO CB C 31.920 0.02 1 182 41 45 PRO CD C 50.501 0.02 1 183 41 45 PRO CG C 28.878 0.02 1 184 42 46 ASN H H 8.938 0.02 1 185 42 46 ASN HA H 4.085 0.02 1 186 42 46 ASN HB2 H 2.695 0.02 2 187 42 46 ASN HB3 H 2.890 0.02 2 188 42 46 ASN HD21 H 7.549 0.02 2 189 42 46 ASN HD22 H 6.880 0.02 2 190 42 46 ASN C C 174.728 0.02 1 191 42 46 ASN CA C 55.625 0.02 1 192 42 46 ASN CB C 37.033 0.02 1 193 42 46 ASN N N 124.007 0.02 1 194 42 46 ASN ND2 N 112.874 0.02 1 195 43 47 ASP H H 8.754 0.02 1 196 43 47 ASP HA H 4.183 0.02 1 197 43 47 ASP HB2 H 2.580 0.02 2 198 43 47 ASP HB3 H 2.690 0.02 2 199 43 47 ASP C C 176.000 0.02 1 200 43 47 ASP CA C 56.191 0.02 1 201 43 47 ASP CB C 39.098 0.02 1 202 43 47 ASP N N 115.561 0.02 1 203 44 48 LYS H H 7.202 0.02 1 204 44 48 LYS HA H 4.108 0.02 1 205 44 48 LYS HB2 H 1.740 0.02 2 206 44 48 LYS HB3 H 1.824 0.02 2 207 44 48 LYS HD2 H 1.662 0.02 2 208 44 48 LYS HD3 H 1.662 0.02 2 209 44 48 LYS HE2 H 3.066 0.02 2 210 44 48 LYS HE3 H 3.066 0.02 2 211 44 48 LYS HG2 H 1.332 0.02 2 212 44 48 LYS HG3 H 1.462 0.02 2 213 44 48 LYS C C 175.213 0.02 1 214 44 48 LYS CA C 57.919 0.02 1 215 44 48 LYS CB C 32.256 0.02 1 216 44 48 LYS CD C 28.841 0.02 1 217 44 48 LYS CE C 41.730 0.02 1 218 44 48 LYS CG C 24.860 0.02 1 219 44 48 LYS N N 119.439 0.02 1 220 45 49 VAL H H 6.894 0.02 1 221 45 49 VAL HA H 3.380 0.02 1 222 45 49 VAL HB H 1.772 0.02 1 223 45 49 VAL HG1 H 0.668 0.02 1 224 45 49 VAL HG2 H 0.651 0.02 1 225 45 49 VAL C C 173.305 0.02 1 226 45 49 VAL CA C 65.320 0.02 1 227 45 49 VAL CB C 31.136 0.02 1 228 45 49 VAL CG1 C 22.020 0.02 2 229 45 49 VAL CG2 C 21.631 0.02 2 230 45 49 VAL N N 118.315 0.02 1 231 46 50 MET H H 7.790 0.02 1 232 46 50 MET HA H 4.660 0.02 1 233 46 50 MET HB2 H 1.874 0.02 2 234 46 50 MET HB3 H 2.196 0.02 2 235 46 50 MET HE H 2.010 0.02 1 236 46 50 MET HG2 H 2.621 0.02 2 237 46 50 MET HG3 H 2.438 0.02 2 238 46 50 MET C C 173.305 0.02 1 239 46 50 MET CA C 56.640 0.02 1 240 46 50 MET CB C 34.155 0.02 1 241 46 50 MET CE C 16.061 0.02 1 242 46 50 MET CG C 32.253 0.02 1 243 46 50 MET N N 113.521 0.02 1 244 47 51 GLY H H 7.106 0.02 1 245 47 51 GLY HA2 H 4.345 0.02 2 246 47 51 GLY HA3 H 3.860 0.02 2 247 47 51 GLY C C 169.613 0.02 1 248 47 51 GLY CA C 43.460 0.02 1 249 47 51 GLY N N 107.227 0.02 1 250 48 52 PRO HA H 4.310 0.02 1 251 48 52 PRO HB2 H 2.299 0.02 2 252 48 52 PRO HB3 H 2.299 0.02 2 253 48 52 PRO HD2 H 4.130 0.02 2 254 48 52 PRO HD3 H 3.710 0.02 2 255 48 52 PRO HG2 H 2.120 0.02 2 256 48 52 PRO HG3 H 2.120 0.02 2 257 48 52 PRO C C 174.880 0.02 1 258 48 52 PRO CA C 63.239 0.02 1 259 48 52 PRO CB C 31.930 0.02 1 260 48 52 PRO CD C 50.542 0.02 1 261 48 52 PRO CG C 26.750 0.02 1 262 49 53 GLY H H 7.946 0.02 1 263 49 53 GLY HA2 H 3.976 0.02 2 264 49 53 GLY HA3 H 3.740 0.02 2 265 49 53 GLY C C 176.402 0.02 1 266 49 53 GLY CA C 43.896 0.02 1 267 49 53 GLY N N 106.919 0.02 1 268 50 54 VAL H H 8.208 0.02 1 269 50 54 VAL HA H 3.990 0.02 1 270 50 54 VAL HB H 1.414 0.02 1 271 50 54 VAL HG1 H 0.192 0.02 1 272 50 54 VAL HG2 H 1.014 0.02 1 273 50 54 VAL C C 172.488 0.02 1 274 50 54 VAL CA C 60.184 0.02 1 275 50 54 VAL CB C 33.406 0.02 1 276 50 54 VAL CG1 C 20.280 0.02 2 277 50 54 VAL CG2 C 20.901 0.02 2 278 50 54 VAL N N 117.561 0.02 1 279 51 55 SER H H 8.154 0.02 1 280 51 55 SER HA H 5.966 0.02 1 281 51 55 SER HB2 H 3.446 0.02 2 282 51 55 SER HB3 H 3.559 0.02 2 283 51 55 SER C C 170.610 0.02 1 284 51 55 SER CA C 56.757 0.02 1 285 51 55 SER CB C 65.325 0.02 1 286 51 55 SER N N 120.746 0.02 1 287 52 56 TYR H H 9.184 0.02 1 288 52 56 TYR HA H 4.720 0.02 1 289 52 56 TYR HB2 H 2.880 0.02 2 290 52 56 TYR HB3 H 2.440 0.02 2 291 52 56 TYR HD1 H 6.929 0.02 3 292 52 56 TYR HD2 H 6.929 0.02 3 293 52 56 TYR HE1 H 6.606 0.02 3 294 52 56 TYR HE2 H 6.606 0.02 3 295 52 56 TYR C C 171.519 0.02 1 296 52 56 TYR CA C 56.720 0.02 1 297 52 56 TYR CB C 43.650 0.02 1 298 52 56 TYR CD1 C 132.806 0.02 3 299 52 56 TYR CD2 C 132.806 0.02 3 300 52 56 TYR CE1 C 116.951 0.02 3 301 52 56 TYR CE2 C 116.951 0.02 3 302 52 56 TYR N N 120.273 0.02 1 303 53 57 LEU H H 8.537 0.02 1 304 53 57 LEU HA H 5.321 0.02 1 305 53 57 LEU HB2 H 1.808 0.02 2 306 53 57 LEU HB3 H 1.590 0.02 2 307 53 57 LEU HD1 H 0.902 0.02 1 308 53 57 LEU HD2 H 0.909 0.02 1 309 53 57 LEU HG H 1.125 0.02 1 310 53 57 LEU C C 174.244 0.02 1 311 53 57 LEU CA C 54.333 0.02 1 312 53 57 LEU CB C 40.811 0.02 1 313 53 57 LEU CD1 C 23.738 0.02 2 314 53 57 LEU CD2 C 22.700 0.02 2 315 53 57 LEU CG C 23.972 0.02 1 316 53 57 LEU N N 125.638 0.02 1 317 54 58 VAL H H 8.510 0.02 1 318 54 58 VAL HA H 4.945 0.02 1 319 54 58 VAL HB H 2.530 0.02 1 320 54 58 VAL HG1 H 0.908 0.02 1 321 54 58 VAL HG2 H 0.808 0.02 1 322 54 58 VAL C C 171.004 0.02 1 323 54 58 VAL CA C 58.294 0.02 1 324 54 58 VAL CB C 34.553 0.02 1 325 54 58 VAL CG1 C 23.068 0.02 2 326 54 58 VAL CG2 C 19.581 0.02 2 327 54 58 VAL N N 116.810 0.02 1 328 55 59 ARG H H 8.727 0.02 1 329 55 59 ARG HA H 5.191 0.02 1 330 55 59 ARG HB2 H 1.795 0.02 2 331 55 59 ARG HB3 H 1.795 0.02 2 332 55 59 ARG HG2 H 1.320 0.02 2 333 55 59 ARG HG3 H 1.464 0.02 2 334 55 59 ARG C C 173.184 0.02 1 335 55 59 ARG CA C 54.877 0.02 1 336 55 59 ARG CB C 33.401 0.02 1 337 55 59 ARG CG C 27.323 0.02 1 338 55 59 ARG N N 120.146 0.02 1 339 56 60 TYR H H 9.126 0.02 1 340 56 60 TYR HA H 4.800 0.02 1 341 56 60 TYR HB2 H 3.260 0.02 2 342 56 60 TYR HB3 H 3.034 0.02 2 343 56 60 TYR HD1 H 7.150 0.02 3 344 56 60 TYR HD2 H 7.150 0.02 3 345 56 60 TYR HE1 H 7.093 0.02 3 346 56 60 TYR HE2 H 7.093 0.02 3 347 56 60 TYR C C 173.366 0.02 1 348 56 60 TYR CA C 57.872 0.02 1 349 56 60 TYR CB C 39.099 0.02 1 350 56 60 TYR CD1 C 132.460 0.02 3 351 56 60 TYR CD2 C 132.460 0.02 3 352 56 60 TYR CE1 C 117.688 0.02 3 353 56 60 TYR CE2 C 117.688 0.02 3 354 56 60 TYR N N 128.672 0.02 1 355 57 61 MET H H 8.782 0.02 1 356 57 61 MET HA H 4.880 0.02 1 357 57 61 MET HB2 H 2.493 0.02 2 358 57 61 MET HB3 H 2.493 0.02 2 359 57 61 MET HE H 2.073 0.02 1 360 57 61 MET HG2 H 2.060 0.02 2 361 57 61 MET HG3 H 2.060 0.02 2 362 57 61 MET C C 170.398 0.02 1 363 57 61 MET CA C 53.030 0.02 1 364 57 61 MET CB C 30.552 0.02 1 365 57 61 MET CE C 16.878 0.02 1 366 57 61 MET CG C 28.288 0.02 1 367 57 61 MET N N 123.446 0.02 1 368 58 62 GLY H H 5.331 0.02 1 369 58 62 GLY HA2 H 4.460 0.02 2 370 58 62 GLY HA3 H 3.570 0.02 2 371 58 62 GLY C C 168.097 0.02 1 372 58 62 GLY CA C 42.710 0.02 1 373 58 62 GLY N N 132.909 0.02 1 374 59 63 CYS H H 7.685 0.02 1 375 59 63 CYS HA H 5.722 0.02 1 376 59 63 CYS HB2 H 2.500 0.02 2 377 59 63 CYS HB3 H 2.500 0.02 2 378 59 63 CYS C C 170.099 0.02 1 379 59 63 CYS CA C 53.749 0.02 1 380 59 63 CYS CB C 32.544 0.02 1 381 59 63 CYS N N 107.331 0.02 1 382 60 64 VAL H H 8.034 0.02 1 383 60 64 VAL HA H 4.558 0.02 1 384 60 64 VAL HB H 1.574 0.02 1 385 60 64 VAL HG1 H 0.826 0.02 1 386 60 64 VAL HG2 H 0.672 0.02 1 387 60 64 VAL C C 172.721 0.02 1 388 60 64 VAL CA C 59.770 0.02 1 389 60 64 VAL CB C 35.121 0.02 1 390 60 64 VAL CG1 C 20.872 0.02 2 391 60 64 VAL CG2 C 21.400 0.02 2 392 60 64 VAL N N 117.907 0.02 1 393 61 65 GLU H H 8.519 0.02 1 394 61 65 GLU HA H 4.190 0.02 1 395 61 65 GLU HB2 H 2.080 0.02 2 396 61 65 GLU HB3 H 2.080 0.02 2 397 61 65 GLU HG2 H 2.292 0.02 2 398 61 65 GLU HG3 H 2.665 0.02 2 399 61 65 GLU C C 172.730 0.02 1 400 61 65 GLU CA C 57.440 0.02 1 401 61 65 GLU CB C 31.190 0.02 1 402 61 65 GLU CG C 36.258 0.02 1 403 61 65 GLU N N 127.896 0.02 1 404 62 66 VAL H H 8.486 0.02 1 405 62 66 VAL HA H 4.570 0.02 1 406 62 66 VAL HB H 1.423 0.02 1 407 62 66 VAL HG1 H 0.806 0.02 1 408 62 66 VAL HG2 H 0.138 0.02 1 409 62 66 VAL C C 174.848 0.02 1 410 62 66 VAL CA C 61.376 0.02 1 411 62 66 VAL CB C 33.407 0.02 1 412 62 66 VAL CG1 C 21.590 0.02 2 413 62 66 VAL CG2 C 19.689 0.02 2 414 62 66 VAL N N 124.299 0.02 1 415 63 67 LEU H H 9.359 0.02 1 416 63 67 LEU HA H 4.110 0.02 1 417 63 67 LEU HB2 H 1.652 0.02 2 418 63 67 LEU HB3 H 1.652 0.02 2 419 63 67 LEU HD1 H 0.806 0.02 1 420 63 67 LEU HD2 H 0.705 0.02 1 421 63 67 LEU HG H 1.333 0.02 1 422 63 67 LEU C C 173.718 0.02 1 423 63 67 LEU CA C 56.011 0.02 1 424 63 67 LEU CB C 41.602 0.02 1 425 63 67 LEU CD1 C 21.590 0.02 2 426 63 67 LEU CD2 C 24.373 0.02 2 427 63 67 LEU CG C 26.941 0.02 1 428 63 67 LEU N N 126.356 0.02 1 429 64 68 GLN H H 6.973 0.02 1 430 64 68 GLN HA H 4.543 0.02 1 431 64 68 GLN HB2 H 2.030 0.02 2 432 64 68 GLN HB3 H 2.030 0.02 2 433 64 68 GLN HE21 H 6.730 0.02 2 434 64 68 GLN HE22 H 7.214 0.02 2 435 64 68 GLN HG2 H 2.258 0.02 2 436 64 68 GLN HG3 H 2.258 0.02 2 437 64 68 GLN C C 170.343 0.02 1 438 64 68 GLN CA C 52.763 0.02 1 439 64 68 GLN CB C 32.191 0.02 1 440 64 68 GLN CG C 32.822 0.02 1 441 64 68 GLN N N 115.043 0.02 1 442 64 68 GLN NE2 N 110.104 0.02 1 443 65 69 SER H H 8.069 0.02 1 444 65 69 SER HA H 4.067 0.02 1 445 65 69 SER HB2 H 4.015 0.02 2 446 65 69 SER HB3 H 4.015 0.02 2 447 65 69 SER CA C 57.653 0.02 1 448 65 69 SER CB C 62.967 0.02 1 449 65 69 SER N N 111.444 0.02 1 450 66 70 MET HA H 3.896 0.02 1 451 66 70 MET HB2 H 2.030 0.02 2 452 66 70 MET HB3 H 2.030 0.02 2 453 66 70 MET HE H 1.959 0.02 1 454 66 70 MET C C 172.490 0.02 1 455 66 70 MET CA C 57.069 0.02 1 456 66 70 MET CB C 32.191 0.02 1 457 66 70 MET CE C 16.306 0.02 1 458 67 71 ARG H H 7.973 0.02 1 459 67 71 ARG HA H 3.899 0.02 1 460 67 71 ARG HB2 H 1.745 0.02 2 461 67 71 ARG HB3 H 1.745 0.02 2 462 67 71 ARG HD2 H 3.187 0.02 2 463 67 71 ARG HD3 H 3.187 0.02 2 464 67 71 ARG C C 174.274 0.02 1 465 67 71 ARG CA C 57.763 0.02 1 466 67 71 ARG CB C 28.852 0.02 1 467 67 71 ARG CD C 42.627 0.02 1 468 67 71 ARG N N 117.871 0.02 1 469 68 72 ALA H H 7.426 0.02 1 470 68 72 ALA HA H 4.362 0.02 1 471 68 72 ALA HB H 1.423 0.02 1 472 68 72 ALA C C 174.365 0.02 1 473 68 72 ALA CA C 51.441 0.02 1 474 68 72 ALA CB C 18.622 0.02 1 475 68 72 ALA N N 119.519 0.02 1 476 69 73 LEU H H 7.071 0.02 1 477 69 73 LEU HA H 4.548 0.02 1 478 69 73 LEU HB2 H 1.820 0.02 2 479 69 73 LEU HB3 H 1.820 0.02 2 480 69 73 LEU HD1 H 1.178 0.02 1 481 69 73 LEU HD2 H 0.702 0.02 1 482 69 73 LEU HG H 1.481 0.02 1 483 69 73 LEU C C 174.062 0.02 1 484 69 73 LEU CA C 52.900 0.02 1 485 69 73 LEU CB C 43.940 0.02 1 486 69 73 LEU CD1 C 23.725 0.02 2 487 69 73 LEU CD2 C 22.280 0.02 2 488 69 73 LEU CG C 27.047 0.02 1 489 69 73 LEU N N 118.800 0.02 1 490 70 74 ASP H H 8.291 0.02 1 491 70 74 ASP HA H 4.580 0.02 1 492 70 74 ASP HB2 H 2.755 0.02 2 493 70 74 ASP HB3 H 2.755 0.02 2 494 70 74 ASP C C 172.821 0.02 1 495 70 74 ASP CA C 52.617 0.02 1 496 70 74 ASP CB C 40.815 0.02 1 497 70 74 ASP N N 120.710 0.02 1 498 71 75 PHE H H 8.043 0.02 1 499 71 75 PHE C C 174.843 0.02 1 500 71 75 PHE CA C 59.697 0.02 1 501 71 75 PHE N N 125.584 0.02 1 502 72 76 ASN H H 8.600 0.02 1 503 72 76 ASN HA H 4.289 0.02 1 504 72 76 ASN HB2 H 2.757 0.02 2 505 72 76 ASN HB3 H 2.840 0.02 2 506 72 76 ASN HD21 H 6.743 0.02 2 507 72 76 ASN HD22 H 7.376 0.02 2 508 72 76 ASN C C 175.546 0.02 1 509 72 76 ASN CA C 55.427 0.02 1 510 72 76 ASN CB C 37.414 0.02 1 511 72 76 ASN N N 117.425 0.02 1 512 72 76 ASN ND2 N 111.190 0.02 1 513 73 77 THR H H 8.318 0.02 1 514 73 77 THR HA H 3.869 0.02 1 515 73 77 THR HB H 4.066 0.02 1 516 73 77 THR HG2 H 1.155 0.02 1 517 73 77 THR C C 173.517 0.02 1 518 73 77 THR CA C 66.459 0.02 1 519 73 77 THR CB C 66.661 0.02 1 520 73 77 THR CG2 C 22.007 0.02 1 521 73 77 THR N N 119.175 0.02 1 522 74 78 ARG H H 8.311 0.02 1 523 74 78 ARG HA H 3.339 0.02 1 524 74 78 ARG HB2 H 1.638 0.02 2 525 74 78 ARG HB3 H 1.638 0.02 2 526 74 78 ARG HD2 H 3.000 0.02 2 527 74 78 ARG HD3 H 3.000 0.02 2 528 74 78 ARG CA C 60.181 0.02 1 529 74 78 ARG CB C 28.288 0.02 1 530 74 78 ARG CD C 41.006 0.02 1 531 74 78 ARG N N 121.179 0.02 1 532 75 79 THR HA H 4.000 0.02 1 533 75 79 THR HB H 4.158 0.02 1 534 75 79 THR HG2 H 0.968 0.02 1 535 75 79 THR C C 173.060 0.02 1 536 75 79 THR CA C 67.543 0.02 1 537 75 79 THR CB C 69.238 0.02 1 538 75 79 THR CG2 C 21.567 0.02 1 539 76 80 GLN H H 7.822 0.02 1 540 76 80 GLN HA H 3.998 0.02 1 541 76 80 GLN HB2 H 2.233 0.02 2 542 76 80 GLN HB3 H 2.233 0.02 2 543 76 80 GLN HE21 H 6.684 0.02 2 544 76 80 GLN HE22 H 7.319 0.02 2 545 76 80 GLN HG2 H 2.478 0.02 2 546 76 80 GLN HG3 H 2.478 0.02 2 547 76 80 GLN C C 175.607 0.02 1 548 76 80 GLN CA C 58.055 0.02 1 549 76 80 GLN CB C 27.929 0.02 1 550 76 80 GLN CG C 33.583 0.02 1 551 76 80 GLN N N 124.514 0.02 1 552 76 80 GLN NE2 N 113.100 0.02 1 553 77 81 VAL H H 8.251 0.02 1 554 77 81 VAL HA H 3.476 0.02 1 555 77 81 VAL HB H 2.258 0.02 1 556 77 81 VAL HG1 H 0.946 0.02 1 557 77 81 VAL HG2 H 0.784 0.02 1 558 77 81 VAL C C 174.789 0.02 1 559 77 81 VAL CA C 66.459 0.02 1 560 77 81 VAL CB C 30.554 0.02 1 561 77 81 VAL CG1 C 23.704 0.02 2 562 77 81 VAL CG2 C 20.282 0.02 2 563 77 81 VAL N N 119.911 0.02 1 564 78 82 THR H H 7.512 0.02 1 565 78 82 THR HA H 3.953 0.02 1 566 78 82 THR HB H 4.066 0.02 1 567 78 82 THR HG2 H 1.265 0.02 1 568 78 82 THR C C 174.062 0.02 1 569 78 82 THR CA C 65.504 0.02 1 570 78 82 THR CB C 67.193 0.02 1 571 78 82 THR CG2 C 22.526 0.02 1 572 78 82 THR N N 108.585 0.02 1 573 79 83 ARG H H 7.738 0.02 1 574 79 83 ARG HA H 3.954 0.02 1 575 79 83 ARG HB2 H 1.880 0.02 2 576 79 83 ARG HB3 H 1.880 0.02 2 577 79 83 ARG HD2 H 3.142 0.02 2 578 79 83 ARG HD3 H 3.142 0.02 2 579 79 83 ARG C C 177.062 0.02 1 580 79 83 ARG CA C 59.051 0.02 1 581 79 83 ARG CB C 29.414 0.02 1 582 79 83 ARG CD C 42.601 0.02 1 583 79 83 ARG N N 120.957 0.02 1 584 80 84 GLU H H 8.519 0.02 1 585 80 84 GLU HA H 4.000 0.02 1 586 80 84 GLU HB2 H 1.907 0.02 2 587 80 84 GLU HB3 H 1.907 0.02 2 588 80 84 GLU HG2 H 2.283 0.02 2 589 80 84 GLU HG3 H 2.283 0.02 2 590 80 84 GLU C C 176.061 0.02 1 591 80 84 GLU CA C 58.237 0.02 1 592 80 84 GLU CB C 28.239 0.02 1 593 80 84 GLU CG C 35.672 0.02 1 594 80 84 GLU N N 120.700 0.02 1 595 81 85 ALA H H 8.207 0.02 1 596 81 85 ALA HA H 3.907 0.02 1 597 81 85 ALA HB H 1.388 0.02 1 598 81 85 ALA C C 176.000 0.02 1 599 81 85 ALA CA C 55.469 0.02 1 600 81 85 ALA CB C 18.191 0.02 1 601 81 85 ALA N N 122.713 0.02 1 602 82 86 ILE H H 7.811 0.02 1 603 82 86 ILE HA H 3.326 0.02 1 604 82 86 ILE HB H 1.822 0.02 1 605 82 86 ILE HD1 H 0.771 0.02 1 606 82 86 ILE HG12 H 1.910 0.02 2 607 82 86 ILE HG13 H 1.910 0.02 2 608 82 86 ILE HG2 H 0.409 0.02 1 609 82 86 ILE C C 175.092 0.02 1 610 82 86 ILE CA C 65.320 0.02 1 611 82 86 ILE CB C 38.214 0.02 1 612 82 86 ILE CD1 C 13.460 0.02 1 613 82 86 ILE CG1 C 29.580 0.02 1 614 82 86 ILE CG2 C 17.459 0.02 1 615 82 86 ILE N N 115.829 0.02 1 616 83 87 SER H H 7.578 0.02 1 617 83 87 SER HA H 3.920 0.02 1 618 83 87 SER HB2 H 3.200 0.02 2 619 83 87 SER HB3 H 3.200 0.02 2 620 83 87 SER C C 172.714 0.02 1 621 83 87 SER CA C 61.890 0.02 1 622 83 87 SER CB C 62.850 0.02 1 623 83 87 SER N N 114.217 0.02 1 624 84 88 LEU H H 8.207 0.02 1 625 84 88 LEU HA H 3.998 0.02 1 626 84 88 LEU HB2 H 1.866 0.02 2 627 84 88 LEU HB3 H 1.458 0.02 2 628 84 88 LEU HD1 H 0.832 0.02 1 629 84 88 LEU HD2 H 0.874 0.02 1 630 84 88 LEU HG H 1.737 0.02 1 631 84 88 LEU C C 178.150 0.02 1 632 84 88 LEU CA C 57.707 0.02 1 633 84 88 LEU CB C 41.933 0.02 1 634 84 88 LEU CD1 C 23.400 0.02 2 635 84 88 LEU CD2 C 25.427 0.02 2 636 84 88 LEU CG C 26.569 0.02 1 637 84 88 LEU N N 121.190 0.02 1 638 85 89 VAL H H 7.715 0.02 1 639 85 89 VAL HA H 3.953 0.02 1 640 85 89 VAL HB H 2.258 0.02 1 641 85 89 VAL HG1 H 0.700 0.02 1 642 85 89 VAL HG2 H 0.851 0.02 1 643 85 89 VAL C C 175.607 0.02 1 644 85 89 VAL CA C 65.325 0.02 1 645 85 89 VAL CB C 30.819 0.02 1 646 85 89 VAL CG1 C 21.339 0.02 2 647 85 89 VAL CG2 C 20.872 0.02 2 648 85 89 VAL N N 115.065 0.02 1 649 86 90 CYS H H 8.007 0.02 1 650 86 90 CYS HA H 4.015 0.02 1 651 86 90 CYS HB2 H 2.790 0.02 2 652 86 90 CYS HB3 H 2.500 0.02 2 653 86 90 CYS C C 173.547 0.02 1 654 86 90 CYS CA C 63.041 0.02 1 655 86 90 CYS CB C 26.006 0.02 1 656 86 90 CYS N N 117.778 0.02 1 657 87 91 GLU H H 7.512 0.02 1 658 87 91 GLU HA H 4.175 0.02 1 659 87 91 GLU HB2 H 2.050 0.02 2 660 87 91 GLU HB3 H 2.050 0.02 2 661 87 91 GLU HG2 H 2.334 0.02 2 662 87 91 GLU HG3 H 2.368 0.02 2 663 87 91 GLU C C 174.153 0.02 1 664 87 91 GLU CA C 57.033 0.02 1 665 87 91 GLU CB C 29.411 0.02 1 666 87 91 GLU CG C 35.692 0.02 1 667 87 91 GLU N N 116.744 0.02 1 668 88 92 ALA H H 7.337 0.02 1 669 88 92 ALA HA H 4.400 0.02 1 670 88 92 ALA HB H 1.470 0.02 1 671 88 92 ALA C C 174.940 0.02 1 672 88 92 ALA CA C 52.199 0.02 1 673 88 92 ALA CB C 20.874 0.02 1 674 88 92 ALA N N 120.122 0.02 1 675 89 93 VAL H H 7.643 0.02 1 676 89 93 VAL HA H 4.345 0.02 1 677 89 93 VAL HB H 2.060 0.02 1 678 89 93 VAL HG1 H 0.933 0.02 1 679 89 93 VAL HG2 H 1.060 0.02 1 680 89 93 VAL C C 171.468 0.02 1 681 89 93 VAL CA C 59.628 0.02 1 682 89 93 VAL CB C 32.990 0.02 1 683 89 93 VAL CG1 C 20.311 0.02 2 684 89 93 VAL CG2 C 21.671 0.02 2 685 89 93 VAL N N 120.560 0.02 1 686 90 94 PRO HA H 4.310 0.02 1 687 90 94 PRO HB2 H 1.940 0.02 2 688 90 94 PRO HB3 H 2.299 0.02 2 689 90 94 PRO HD2 H 3.820 0.02 2 690 90 94 PRO HD3 H 3.643 0.02 2 691 90 94 PRO HG2 H 2.000 0.02 2 692 90 94 PRO HG3 H 2.120 0.02 2 693 90 94 PRO C C 175.455 0.02 1 694 90 94 PRO CA C 63.239 0.02 1 695 90 94 PRO CB C 31.980 0.02 1 696 90 94 PRO CD C 49.936 0.02 1 697 90 94 PRO CG C 27.460 0.02 1 698 91 95 GLY H H 8.560 0.02 1 699 91 95 GLY HA2 H 3.890 0.02 2 700 91 95 GLY HA3 H 4.060 0.02 2 701 91 95 GLY C C 172.488 0.02 1 702 91 95 GLY CA C 44.808 0.02 1 703 91 95 GLY N N 110.103 0.02 1 704 92 96 ALA H H 8.069 0.02 1 705 92 96 ALA HA H 4.330 0.02 1 706 92 96 ALA HB H 1.530 0.02 1 707 92 96 ALA C C 176.243 0.02 1 708 92 96 ALA CA C 52.690 0.02 1 709 92 96 ALA CB C 18.592 0.02 1 710 92 96 ALA N N 124.210 0.02 1 711 93 97 LYS H H 8.709 0.02 1 712 93 97 LYS HA H 4.220 0.02 1 713 93 97 LYS HB2 H 1.810 0.02 2 714 93 97 LYS HB3 H 1.920 0.02 2 715 93 97 LYS HE2 H 3.010 0.02 2 716 93 97 LYS HE3 H 3.010 0.02 2 717 93 97 LYS HG2 H 1.486 0.02 2 718 93 97 LYS HG3 H 1.486 0.02 2 719 93 97 LYS C C 175.788 0.02 1 720 93 97 LYS CA C 57.215 0.02 1 721 93 97 LYS CB C 31.681 0.02 1 722 93 97 LYS CE C 41.364 0.02 1 723 93 97 LYS CG C 25.100 0.02 1 724 93 97 LYS N N 122.363 0.02 1 725 94 98 GLY H H 8.589 0.02 1 726 94 98 GLY HA2 H 3.990 0.02 2 727 94 98 GLY HA3 H 3.990 0.02 2 728 94 98 GLY C C 171.549 0.02 1 729 94 98 GLY CA C 45.173 0.02 1 730 94 98 GLY N N 106.755 0.02 1 731 95 99 ALA H H 7.782 0.02 1 732 95 99 ALA HA H 4.370 0.02 1 733 95 99 ALA HB H 1.470 0.02 1 734 95 99 ALA C C 175.728 0.02 1 735 95 99 ALA CA C 52.508 0.02 1 736 95 99 ALA CB C 19.154 0.02 1 737 95 99 ALA N N 122.784 0.02 1 738 96 100 THR H H 8.111 0.02 1 739 96 100 THR HA H 4.340 0.02 1 740 96 100 THR HB H 4.297 0.02 1 741 96 100 THR HG2 H 1.215 0.02 1 742 96 100 THR C C 172.094 0.02 1 743 96 100 THR CA C 61.546 0.02 1 744 96 100 THR CB C 69.580 0.02 1 745 96 100 THR CG2 C 21.193 0.02 1 746 96 100 THR N N 111.717 0.02 1 747 97 101 ARG H H 7.967 0.02 1 748 97 101 ARG HA H 4.290 0.02 1 749 97 101 ARG HB2 H 1.770 0.02 2 750 97 101 ARG HB3 H 1.770 0.02 2 751 97 101 ARG HD2 H 3.192 0.02 2 752 97 101 ARG HD3 H 3.192 0.02 2 753 97 101 ARG HG2 H 1.610 0.02 2 754 97 101 ARG HG3 H 1.610 0.02 2 755 97 101 ARG C C 173.396 0.02 1 756 97 101 ARG CA C 55.590 0.02 1 757 97 101 ARG CB C 30.147 0.02 1 758 97 101 ARG CD C 42.937 0.02 1 759 97 101 ARG CG C 27.120 0.02 1 760 97 101 ARG N N 121.974 0.02 1 761 98 102 ARG H H 8.295 0.02 1 762 98 102 ARG HA H 4.290 0.02 1 763 98 102 ARG HB2 H 1.750 0.02 2 764 98 102 ARG HB3 H 1.750 0.02 2 765 98 102 ARG HD2 H 3.600 0.02 2 766 98 102 ARG HD3 H 3.600 0.02 2 767 98 102 ARG HG2 H 1.600 0.02 2 768 98 102 ARG HG3 H 1.600 0.02 2 769 98 102 ARG C C 173.578 0.02 1 770 98 102 ARG CA C 55.590 0.02 1 771 98 102 ARG CB C 30.683 0.02 1 772 98 102 ARG CD C 43.041 0.02 1 773 98 102 ARG CG C 27.120 0.02 1 774 98 102 ARG N N 122.468 0.02 1 775 99 103 ARG H H 8.391 0.02 1 776 99 103 ARG HA H 4.329 0.02 1 777 99 103 ARG HB2 H 1.801 0.02 2 778 99 103 ARG HB3 H 1.801 0.02 2 779 99 103 ARG HD2 H 3.126 0.02 2 780 99 103 ARG HD3 H 3.126 0.02 2 781 99 103 ARG HG2 H 1.620 0.02 2 782 99 103 ARG HG3 H 1.620 0.02 2 783 99 103 ARG C C 173.517 0.02 1 784 99 103 ARG CA C 55.427 0.02 1 785 99 103 ARG CB C 30.744 0.02 1 786 99 103 ARG CD C 43.040 0.02 1 787 99 103 ARG CG C 26.760 0.02 1 788 99 103 ARG N N 123.419 0.02 1 789 100 104 LYS H H 8.392 0.02 1 790 100 104 LYS HA H 4.576 0.02 1 791 100 104 LYS HB2 H 1.820 0.02 2 792 100 104 LYS HB3 H 1.697 0.02 2 793 100 104 LYS HD2 H 1.570 0.02 2 794 100 104 LYS HD3 H 1.570 0.02 2 795 100 104 LYS HE2 H 3.658 0.02 2 796 100 104 LYS HE3 H 3.658 0.02 2 797 100 104 LYS HG2 H 1.480 0.02 2 798 100 104 LYS HG3 H 1.480 0.02 2 799 100 104 LYS C C 172.045 0.02 1 800 100 104 LYS CA C 53.785 0.02 1 801 100 104 LYS CB C 32.256 0.02 1 802 100 104 LYS CD C 27.321 0.02 1 803 100 104 LYS CE C 42.644 0.02 1 804 100 104 LYS CG C 24.400 0.02 1 805 100 104 LYS N N 124.416 0.02 1 806 101 105 PRO HA H 4.417 0.02 1 807 101 105 PRO HB2 H 1.860 0.02 2 808 101 105 PRO HB3 H 2.256 0.02 2 809 101 105 PRO HD2 H 3.387 0.02 2 810 101 105 PRO HD3 H 3.387 0.02 2 811 101 105 PRO C C 174.254 0.02 1 812 101 105 PRO CA C 62.872 0.02 1 813 101 105 PRO CB C 30.076 0.02 1 814 101 105 PRO CD C 50.348 0.02 1 815 102 106 CYS H H 8.447 0.02 1 816 102 106 CYS HA H 4.489 0.02 1 817 102 106 CYS HB2 H 2.974 0.02 2 818 102 106 CYS HB3 H 2.974 0.02 2 819 102 106 CYS CA C 57.799 0.02 1 820 102 106 CYS CB C 28.334 0.02 1 821 102 106 CYS N N 119.671 0.02 1 822 103 107 SER HA H 4.310 0.02 1 823 103 107 SER HB2 H 3.801 0.02 2 824 103 107 SER HB3 H 3.801 0.02 2 825 103 107 SER C C 171.715 0.02 1 826 103 107 SER CA C 58.200 0.02 1 827 103 107 SER CB C 63.700 0.02 1 828 104 108 ARG H H 8.245 0.02 1 829 104 108 ARG HA H 4.230 0.02 1 830 104 108 ARG HB2 H 1.714 0.02 2 831 104 108 ARG HB3 H 1.714 0.02 2 832 104 108 ARG HG2 H 1.580 0.02 2 833 104 108 ARG HG3 H 1.580 0.02 2 834 104 108 ARG CA C 54.260 0.02 1 835 104 108 ARG CB C 31.818 0.02 1 836 104 108 ARG CG C 26.059 0.02 1 837 104 108 ARG N N 123.270 0.02 1 838 105 109 PRO HA H 4.420 0.02 1 839 105 109 PRO HB2 H 1.914 0.02 2 840 105 109 PRO HB3 H 2.282 0.02 2 841 105 109 PRO HD2 H 3.650 0.02 2 842 105 109 PRO HD3 H 3.710 0.02 2 843 105 109 PRO HG2 H 2.011 0.02 2 844 105 109 PRO HG3 H 2.011 0.02 2 845 105 109 PRO C C 174.940 0.02 1 846 105 109 PRO CA C 63.230 0.02 1 847 105 109 PRO CB C 31.980 0.02 1 848 105 109 PRO CD C 50.542 0.02 1 849 105 109 PRO CG C 27.151 0.02 1 850 106 110 LEU H H 8.462 0.02 1 851 106 110 LEU HA H 4.332 0.02 1 852 106 110 LEU HB2 H 1.590 0.02 2 853 106 110 LEU HB3 H 1.700 0.02 2 854 106 110 LEU HD1 H 0.848 0.02 1 855 106 110 LEU HD2 H 0.826 0.02 1 856 106 110 LEU HG H 1.402 0.02 1 857 106 110 LEU C C 175.758 0.02 1 858 106 110 LEU CA C 54.817 0.02 1 859 106 110 LEU CB C 41.340 0.02 1 860 106 110 LEU CD1 C 24.606 0.02 2 861 106 110 LEU CD2 C 23.134 0.02 2 862 106 110 LEU CG C 28.723 0.02 1 863 106 110 LEU N N 121.671 0.02 1 864 107 111 SER H H 8.308 0.02 1 865 107 111 SER HA H 4.290 0.02 1 866 107 111 SER HB2 H 3.880 0.02 2 867 107 111 SER HB3 H 3.960 0.02 2 868 107 111 SER C C 172.578 0.02 1 869 107 111 SER CA C 59.970 0.02 1 870 107 111 SER CB C 62.990 0.02 1 871 107 111 SER N N 116.367 0.02 1 872 108 112 SER H H 8.179 0.02 1 873 108 112 SER HA H 4.408 0.02 1 874 108 112 SER HB2 H 3.880 0.02 2 875 108 112 SER HB3 H 3.880 0.02 2 876 108 112 SER C C 171.745 0.02 1 877 108 112 SER CA C 59.082 0.02 1 878 108 112 SER CB C 62.434 0.02 1 879 108 112 SER N N 114.867 0.02 1 880 109 113 ILE H H 7.842 0.02 1 881 109 113 ILE HA H 4.029 0.02 1 882 109 113 ILE HB H 1.672 0.02 1 883 109 113 ILE HD1 H 0.700 0.02 1 884 109 113 ILE HG12 H 1.493 0.02 2 885 109 113 ILE HG13 H 1.493 0.02 2 886 109 113 ILE HG2 H 0.850 0.02 1 887 109 113 ILE C C 171.700 0.02 1 888 109 113 ILE CA C 62.470 0.02 1 889 109 113 ILE CB C 39.160 0.02 1 890 109 113 ILE CD1 C 13.476 0.02 1 891 109 113 ILE CG1 C 27.699 0.02 1 892 109 113 ILE CG2 C 18.551 0.02 1 893 109 113 ILE N N 119.922 0.02 1 894 110 114 LEU H H 7.754 0.02 1 895 110 114 LEU HA H 5.063 0.02 1 896 110 114 LEU HB2 H 1.755 0.02 2 897 110 114 LEU HB3 H 1.290 0.02 2 898 110 114 LEU HD1 H 0.906 0.02 1 899 110 114 LEU HD2 H 0.833 0.02 1 900 110 114 LEU HG H 1.580 0.02 1 901 110 114 LEU C C 174.365 0.02 1 902 110 114 LEU CA C 53.088 0.02 1 903 110 114 LEU CB C 41.883 0.02 1 904 110 114 LEU CD1 C 25.456 0.02 2 905 110 114 LEU CD2 C 23.134 0.02 2 906 110 114 LEU CG C 28.933 0.02 1 907 110 114 LEU N N 120.159 0.02 1 908 111 115 GLY H H 8.537 0.02 1 909 111 115 GLY HA2 H 4.480 0.02 2 910 111 115 GLY HA3 H 3.580 0.02 2 911 111 115 GLY C C 170.459 0.02 1 912 111 115 GLY CA C 43.385 0.02 1 913 111 115 GLY N N 111.210 0.02 1 914 112 116 ARG H H 9.091 0.02 1 915 112 116 ARG HA H 4.260 0.02 1 916 112 116 ARG HB2 H 1.762 0.02 2 917 112 116 ARG HB3 H 1.850 0.02 2 918 112 116 ARG HD2 H 3.241 0.02 2 919 112 116 ARG HD3 H 3.241 0.02 2 920 112 116 ARG C C 174.395 0.02 1 921 112 116 ARG CA C 55.792 0.02 1 922 112 116 ARG CB C 30.484 0.02 1 923 112 116 ARG CD C 43.170 0.02 1 924 112 116 ARG N N 124.960 0.02 1 925 113 117 SER H H 8.514 0.02 1 926 113 117 SER HA H 5.080 0.02 1 927 113 117 SER HB2 H 3.760 0.02 2 928 113 117 SER HB3 H 3.650 0.02 2 929 113 117 SER C C 171.155 0.02 1 930 113 117 SER CA C 56.814 0.02 1 931 113 117 SER CB C 64.151 0.02 1 932 113 117 SER N N 117.019 0.02 1 933 114 118 ASN H H 9.125 0.02 1 934 114 118 ASN HA H 4.950 0.02 1 935 114 118 ASN HB2 H 3.379 0.02 2 936 114 118 ASN HB3 H 2.792 0.02 2 937 114 118 ASN HD21 H 7.717 0.02 2 938 114 118 ASN HD22 H 6.697 0.02 2 939 114 118 ASN C C 173.850 0.02 1 940 114 118 ASN CA C 52.106 0.02 1 941 114 118 ASN CB C 38.153 0.02 1 942 114 118 ASN N N 121.320 0.02 1 943 114 118 ASN ND2 N 110.385 0.02 1 944 115 119 LEU H H 9.050 0.02 1 945 115 119 LEU HA H 4.627 0.02 1 946 115 119 LEU HB2 H 1.530 0.02 2 947 115 119 LEU HB3 H 1.530 0.02 2 948 115 119 LEU HD1 H 0.791 0.02 1 949 115 119 LEU HD2 H 0.810 0.02 1 950 115 119 LEU HG H 1.672 0.02 1 951 115 119 LEU C C 175.274 0.02 1 952 115 119 LEU CA C 52.763 0.02 1 953 115 119 LEU CB C 39.235 0.02 1 954 115 119 LEU CD1 C 22.683 0.02 2 955 115 119 LEU CD2 C 24.768 0.02 2 956 115 119 LEU CG C 26.194 0.02 1 957 115 119 LEU N N 125.668 0.02 1 958 116 120 LYS H H 8.046 0.02 1 959 116 120 LYS HA H 3.842 0.02 1 960 116 120 LYS HB2 H 1.330 0.02 2 961 116 120 LYS HB3 H 1.330 0.02 2 962 116 120 LYS HE2 H 2.760 0.02 2 963 116 120 LYS HE3 H 2.760 0.02 2 964 116 120 LYS HG2 H 1.279 0.02 2 965 116 120 LYS HG3 H 1.279 0.02 2 966 116 120 LYS C C 175.542 0.02 1 967 116 120 LYS CA C 59.624 0.02 1 968 116 120 LYS CB C 31.849 0.02 1 969 116 120 LYS CE C 39.325 0.02 1 970 116 120 LYS CG C 24.281 0.02 1 971 116 120 LYS N N 125.327 0.02 1 972 117 121 PHE H H 8.888 0.02 1 973 117 121 PHE HA H 4.814 0.02 1 974 117 121 PHE HB2 H 2.947 0.02 2 975 117 121 PHE HB3 H 2.824 0.02 2 976 117 121 PHE HD1 H 7.364 0.02 3 977 117 121 PHE HD2 H 7.364 0.02 3 978 117 121 PHE C C 174.272 0.02 1 979 117 121 PHE CA C 56.413 0.02 1 980 117 121 PHE CB C 39.690 0.02 1 981 117 121 PHE CD1 C 131.158 0.02 3 982 117 121 PHE CD2 C 131.158 0.02 3 983 117 121 PHE N N 115.815 0.02 1 984 118 122 ALA H H 7.325 0.02 1 985 118 122 ALA HA H 3.953 0.02 1 986 118 122 ALA HB H 1.363 0.02 1 987 118 122 ALA C C 177.000 0.02 1 988 118 122 ALA CA C 53.354 0.02 1 989 118 122 ALA CB C 19.678 0.02 1 990 118 122 ALA N N 120.116 0.02 1 991 119 123 GLY H H 9.875 0.02 1 992 119 123 GLY HA2 H 3.938 0.02 2 993 119 123 GLY HA3 H 3.938 0.02 2 994 119 123 GLY C C 171.745 0.02 1 995 119 123 GLY CA C 44.443 0.02 1 996 119 123 GLY N N 111.701 0.02 1 997 120 124 MET H H 7.956 0.02 1 998 120 124 MET HA H 4.684 0.02 1 999 120 124 MET HB2 H 2.211 0.02 2 1000 120 124 MET HB3 H 2.353 0.02 2 1001 120 124 MET HE H 2.215 0.02 1 1002 120 124 MET HG2 H 2.674 0.02 2 1003 120 124 MET HG3 H 2.674 0.02 2 1004 120 124 MET CA C 55.464 0.02 1 1005 120 124 MET CB C 34.089 0.02 1 1006 120 124 MET CE C 16.870 0.02 1 1007 120 124 MET CG C 31.239 0.02 1 1008 120 124 MET N N 122.591 0.02 1 1009 121 125 PRO HA H 4.920 0.02 1 1010 121 125 PRO HB2 H 2.043 0.02 2 1011 121 125 PRO HB3 H 2.307 0.02 2 1012 121 125 PRO HD2 H 3.888 0.02 2 1013 121 125 PRO HD3 H 4.340 0.02 2 1014 121 125 PRO HG2 H 2.307 0.02 2 1015 121 125 PRO HG3 H 2.020 0.02 2 1016 121 125 PRO C C 174.456 0.02 1 1017 121 125 PRO CA C 62.430 0.02 1 1018 121 125 PRO CB C 31.700 0.02 1 1019 121 125 PRO CD C 50.719 0.02 1 1020 121 125 PRO CG C 28.170 0.02 1 1021 122 126 ILE H H 9.247 0.02 1 1022 122 126 ILE HA H 5.152 0.02 1 1023 122 126 ILE HB H 1.604 0.02 1 1024 122 126 ILE HD1 H 0.763 0.02 1 1025 122 126 ILE HG12 H 1.440 0.02 2 1026 122 126 ILE HG13 H 1.440 0.02 2 1027 122 126 ILE HG2 H 0.777 0.02 1 1028 122 126 ILE C C 172.700 0.02 1 1029 122 126 ILE CA C 58.476 0.02 1 1030 122 126 ILE CB C 43.097 0.02 1 1031 122 126 ILE CD1 C 15.759 0.02 1 1032 122 126 ILE CG1 C 25.403 0.02 1 1033 122 126 ILE CG2 C 18.031 0.02 1 1034 122 126 ILE N N 119.255 0.02 1 1035 123 127 THR H H 9.247 0.02 1 1036 123 127 THR HA H 4.980 0.02 1 1037 123 127 THR HB H 3.887 0.02 1 1038 123 127 THR HG2 H 1.060 0.02 1 1039 123 127 THR C C 172.306 0.02 1 1040 123 127 THR CA C 61.777 0.02 1 1041 123 127 THR CB C 68.667 0.02 1 1042 123 127 THR CG2 C 21.633 0.02 1 1043 123 127 THR N N 116.885 0.02 1 1044 124 128 LEU H H 9.594 0.02 1 1045 124 128 LEU HA H 5.310 0.02 1 1046 124 128 LEU HB2 H 1.253 0.02 2 1047 124 128 LEU HB3 H 2.000 0.02 2 1048 124 128 LEU HD1 H 0.789 0.02 1 1049 124 128 LEU HD2 H 0.700 0.02 1 1050 124 128 LEU HG H 1.440 0.02 1 1051 124 128 LEU C C 173.124 0.02 1 1052 124 128 LEU CA C 52.219 0.02 1 1053 124 128 LEU CB C 44.200 0.02 1 1054 124 128 LEU CD1 C 23.950 0.02 2 1055 124 128 LEU CD2 C 22.280 0.02 2 1056 124 128 LEU CG C 28.775 0.02 1 1057 124 128 LEU N N 132.886 0.02 1 1058 125 129 THR H H 9.267 0.02 1 1059 125 129 THR HA H 5.191 0.02 1 1060 125 129 THR HB H 3.890 0.02 1 1061 125 129 THR HG2 H 0.759 0.02 1 1062 125 129 THR C C 171.488 0.02 1 1063 125 129 THR CA C 61.283 0.02 1 1064 125 129 THR CB C 68.876 0.02 1 1065 125 129 THR CG2 C 21.003 0.02 1 1066 125 129 THR N N 123.760 0.02 1 1067 126 130 VAL H H 9.439 0.02 1 1068 126 130 VAL HA H 4.237 0.02 1 1069 126 130 VAL HB H 1.973 0.02 1 1070 126 130 VAL HG1 H 0.811 0.02 1 1071 126 130 VAL HG2 H 0.518 0.02 1 1072 126 130 VAL C C 170.852 0.02 1 1073 126 130 VAL CA C 60.752 0.02 1 1074 126 130 VAL CB C 32.840 0.02 1 1075 126 130 VAL CG1 C 19.191 0.02 2 1076 126 130 VAL CG2 C 20.877 0.02 2 1077 126 130 VAL N N 129.210 0.02 1 1078 127 131 SER H H 8.314 0.02 1 1079 127 131 SER HA H 5.366 0.02 1 1080 127 131 SER HB2 H 4.300 0.02 2 1081 127 131 SER HB3 H 4.300 0.02 2 1082 127 131 SER C C 170.277 0.02 1 1083 127 131 SER CA C 55.902 0.02 1 1084 127 131 SER CB C 68.327 0.02 1 1085 127 131 SER N N 122.587 0.02 1 1086 128 132 THR H H 7.834 0.02 1 1087 128 132 THR HA H 3.860 0.02 1 1088 128 132 THR HB H 4.266 0.02 1 1089 128 132 THR HG2 H 1.332 0.02 1 1090 128 132 THR C C 172.669 0.02 1 1091 128 132 THR CA C 63.383 0.02 1 1092 128 132 THR CB C 68.803 0.02 1 1093 128 132 THR CG2 C 24.844 0.02 1 1094 128 132 THR N N 103.365 0.02 1 1095 129 133 SER HA H 4.507 0.02 1 1096 129 133 SER HB2 H 3.744 0.02 2 1097 129 133 SER HB3 H 3.744 0.02 2 1098 129 133 SER C C 173.124 0.02 1 1099 129 133 SER CA C 60.390 0.02 1 1100 129 133 SER CB C 63.720 0.02 1 1101 130 134 SER H H 7.615 0.02 1 1102 130 134 SER HA H 4.890 0.02 1 1103 130 134 SER HB2 H 3.744 0.02 2 1104 130 134 SER HB3 H 3.744 0.02 2 1105 130 134 SER C C 169.611 0.02 1 1106 130 134 SER CA C 57.580 0.02 1 1107 130 134 SER CB C 65.270 0.02 1 1108 130 134 SER N N 115.406 0.02 1 1109 131 135 LEU H H 8.410 0.02 1 1110 131 135 LEU HA H 4.920 0.02 1 1111 131 135 LEU HB2 H 1.551 0.02 2 1112 131 135 LEU HB3 H 1.150 0.02 2 1113 131 135 LEU HD1 H 0.499 0.02 1 1114 131 135 LEU HD2 H 0.188 0.02 1 1115 131 135 LEU HG H 1.453 0.02 1 1116 131 135 LEU C C 171.700 0.02 1 1117 131 135 LEU CA C 54.520 0.02 1 1118 131 135 LEU CB C 41.540 0.02 1 1119 131 135 LEU CD1 C 25.437 0.02 2 1120 131 135 LEU CD2 C 23.713 0.02 2 1121 131 135 LEU CG C 27.484 0.02 1 1122 131 135 LEU N N 118.245 0.02 1 1123 132 136 ASN H H 8.570 0.02 1 1124 132 136 ASN HA H 5.074 0.02 1 1125 132 136 ASN HB2 H 2.550 0.02 2 1126 132 136 ASN HB3 H 2.550 0.02 2 1127 132 136 ASN HD21 H 6.012 0.02 2 1128 132 136 ASN HD22 H 7.497 0.02 2 1129 132 136 ASN C C 170.913 0.02 1 1130 132 136 ASN CA C 52.209 0.02 1 1131 132 136 ASN CB C 41.894 0.02 1 1132 132 136 ASN N N 121.653 0.02 1 1133 132 136 ASN ND2 N 110.351 0.02 1 1134 133 137 LEU H H 8.673 0.02 1 1135 133 137 LEU HA H 4.881 0.02 1 1136 133 137 LEU HB2 H 1.499 0.02 2 1137 133 137 LEU HB3 H 1.499 0.02 2 1138 133 137 LEU HD1 H 0.811 0.02 1 1139 133 137 LEU HD2 H 0.645 0.02 1 1140 133 137 LEU HG H 1.499 0.02 1 1141 133 137 LEU C C 171.670 0.02 1 1142 133 137 LEU CA C 54.223 0.02 1 1143 133 137 LEU CB C 42.240 0.02 1 1144 133 137 LEU CD1 C 19.954 0.02 2 1145 133 137 LEU CD2 C 24.290 0.02 2 1146 133 137 LEU CG C 27.287 0.02 1 1147 133 137 LEU N N 126.093 0.02 1 1148 134 138 MET H H 8.327 0.02 1 1149 134 138 MET HA H 4.920 0.02 1 1150 134 138 MET HB2 H 1.823 0.02 2 1151 134 138 MET HB3 H 2.005 0.02 2 1152 134 138 MET HE H 1.956 0.02 1 1153 134 138 MET HG2 H 2.316 0.02 2 1154 134 138 MET HG3 H 2.508 0.02 2 1155 134 138 MET C C 171.973 0.02 1 1156 134 138 MET CA C 52.797 0.02 1 1157 134 138 MET CB C 35.788 0.02 1 1158 134 138 MET CE C 17.450 0.02 1 1159 134 138 MET CG C 30.609 0.02 1 1160 134 138 MET N N 123.666 0.02 1 1161 135 139 ALA H H 8.835 0.02 1 1162 135 139 ALA HA H 4.336 0.02 1 1163 135 139 ALA HB H 1.604 0.02 1 1164 135 139 ALA C C 175.576 0.02 1 1165 135 139 ALA CA C 52.727 0.02 1 1166 135 139 ALA CB C 19.724 0.02 1 1167 135 139 ALA N N 128.004 0.02 1 1168 136 140 ALA H H 8.372 0.02 1 1169 136 140 ALA HA H 4.144 0.02 1 1170 136 140 ALA HB H 1.302 0.02 1 1171 136 140 ALA C C 175.910 0.02 1 1172 136 140 ALA CA C 53.930 0.02 1 1173 136 140 ALA CB C 18.024 0.02 1 1174 136 140 ALA N N 125.296 0.02 1 1175 137 141 ASP H H 8.277 0.02 1 1176 137 141 ASP HA H 4.510 0.02 1 1177 137 141 ASP HB2 H 2.712 0.02 2 1178 137 141 ASP HB3 H 2.769 0.02 2 1179 137 141 ASP C C 174.143 0.02 1 1180 137 141 ASP CA C 54.496 0.02 1 1181 137 141 ASP CB C 40.150 0.02 1 1182 137 141 ASP N N 114.880 0.02 1 1183 138 142 CYS H H 8.206 0.02 1 1184 138 142 CYS HA H 4.278 0.02 1 1185 138 142 CYS HB3 H 3.113 0.02 2 1186 138 142 CYS C C 174.638 0.02 1 1187 138 142 CYS CA C 58.237 0.02 1 1188 138 142 CYS CB C 26.949 0.02 1 1189 138 142 CYS N N 112.730 0.02 1 1190 139 143 LYS H H 8.025 0.02 1 1191 139 143 LYS HA H 4.180 0.02 1 1192 139 143 LYS HB2 H 1.854 0.02 2 1193 139 143 LYS HB3 H 1.854 0.02 2 1194 139 143 LYS HD2 H 1.741 0.02 2 1195 139 143 LYS HD3 H 1.741 0.02 2 1196 139 143 LYS HE2 H 3.087 0.02 2 1197 139 143 LYS HE3 H 3.087 0.02 2 1198 139 143 LYS HG2 H 1.548 0.02 2 1199 139 143 LYS HG3 H 1.741 0.02 2 1200 139 143 LYS C C 182.074 0.02 1 1201 139 143 LYS CA C 56.774 0.02 1 1202 139 143 LYS CB C 31.700 0.02 1 1203 139 143 LYS CD C 28.820 0.02 1 1204 139 143 LYS CE C 42.526 0.02 1 1205 139 143 LYS CG C 25.433 0.02 1 1206 139 143 LYS N N 117.424 0.02 1 1207 140 144 GLN H H 7.353 0.02 1 1208 140 144 GLN HA H 4.341 0.02 1 1209 140 144 GLN HB2 H 1.869 0.02 2 1210 140 144 GLN HB3 H 1.927 0.02 2 1211 140 144 GLN HE21 H 6.744 0.02 2 1212 140 144 GLN HE22 H 7.378 0.02 2 1213 140 144 GLN HG2 H 2.060 0.02 2 1214 140 144 GLN HG3 H 2.138 0.02 2 1215 140 144 GLN C C 172.137 0.02 1 1216 140 144 GLN CA C 54.536 0.02 1 1217 140 144 GLN CB C 29.971 0.02 1 1218 140 144 GLN CG C 32.870 0.02 1 1219 140 144 GLN N N 118.073 0.02 1 1220 140 144 GLN NE2 N 111.254 0.02 1 1221 141 145 ILE H H 8.681 0.02 1 1222 141 145 ILE HA H 4.090 0.02 1 1223 141 145 ILE HB H 1.768 0.02 1 1224 141 145 ILE HD1 H 0.787 0.02 1 1225 141 145 ILE HG12 H 1.099 0.02 2 1226 141 145 ILE HG13 H 1.488 0.02 2 1227 141 145 ILE HG2 H 0.619 0.02 1 1228 141 145 ILE C C 173.669 0.02 1 1229 141 145 ILE CA C 60.750 0.02 1 1230 141 145 ILE CB C 37.393 0.02 1 1231 141 145 ILE CD1 C 12.044 0.02 1 1232 141 145 ILE CG1 C 27.872 0.02 1 1233 141 145 ILE CG2 C 16.319 0.02 1 1234 141 145 ILE N N 126.759 0.02 1 1235 142 146 ILE H H 8.327 0.02 1 1236 142 146 ILE HA H 3.500 0.02 1 1237 142 146 ILE HB H 1.108 0.02 1 1238 142 146 ILE HD1 H 0.160 0.02 1 1239 142 146 ILE HG12 H 0.784 0.02 2 1240 142 146 ILE HG13 H 0.406 0.02 2 1241 142 146 ILE HG2 H 0.060 0.02 1 1242 142 146 ILE C C 173.275 0.02 1 1243 142 146 ILE CA C 61.745 0.02 1 1244 142 146 ILE CB C 36.822 0.02 1 1245 142 146 ILE CD1 C 11.949 0.02 1 1246 142 146 ILE CG1 C 27.138 0.02 1 1247 142 146 ILE CG2 C 15.745 0.02 1 1248 142 146 ILE N N 129.279 0.02 1 1249 143 147 ALA H H 7.432 0.02 1 1250 143 147 ALA HA H 4.032 0.02 1 1251 143 147 ALA HB H 0.577 0.02 1 1252 143 147 ALA C C 171.376 0.02 1 1253 143 147 ALA CA C 51.603 0.02 1 1254 143 147 ALA CB C 20.331 0.02 1 1255 143 147 ALA N N 117.935 0.02 1 1256 144 148 ASN H H 8.229 0.02 1 1257 144 148 ASN HA H 4.925 0.02 1 1258 144 148 ASN HB2 H 2.691 0.02 2 1259 144 148 ASN HB3 H 2.691 0.02 2 1260 144 148 ASN HD21 H 6.633 0.02 2 1261 144 148 ASN HD22 H 7.372 0.02 2 1262 144 148 ASN C C 170.943 0.02 1 1263 144 148 ASN CA C 52.654 0.02 1 1264 144 148 ASN CB C 37.971 0.02 1 1265 144 148 ASN N N 119.731 0.02 1 1266 144 148 ASN ND2 N 111.623 0.02 1 1267 145 149 HIS H H 8.844 0.02 1 1268 145 149 HIS HA H 4.927 0.02 1 1269 145 149 HIS HB2 H 3.063 0.02 2 1270 145 149 HIS HB3 H 3.063 0.02 2 1271 145 149 HIS CA C 55.500 0.02 1 1272 145 149 HIS CB C 30.300 0.02 1 1273 145 149 HIS N N 125.327 0.02 1 1274 146 150 HIS H H 8.786 0.02 1 1275 146 150 HIS HA H 4.230 0.02 1 1276 146 150 HIS HB2 H 3.304 0.02 2 1277 146 150 HIS HB3 H 3.175 0.02 2 1278 146 150 HIS HD2 H 7.185 0.02 1 1279 146 150 HIS CA C 57.434 0.02 1 1280 146 150 HIS CD2 C 118.973 0.02 1 1281 146 150 HIS N N 126.099 0.02 1 1282 147 151 MET HA H 4.116 0.02 1 1283 147 151 MET HE H 2.033 0.02 1 1284 147 151 MET HG2 H 2.323 0.02 2 1285 147 151 MET HG3 H 2.322 0.02 2 1286 147 151 MET C C 175.180 0.02 1 1287 147 151 MET CA C 58.237 0.02 1 1288 147 151 MET CE C 15.664 0.02 1 1289 147 151 MET CG C 33.355 0.02 1 1290 148 152 GLN H H 9.936 0.02 1 1291 148 152 GLN HA H 4.200 0.02 1 1292 148 152 GLN HB2 H 2.116 0.02 2 1293 148 152 GLN HB3 H 2.157 0.02 2 1294 148 152 GLN HE21 H 7.419 0.02 2 1295 148 152 GLN HE22 H 6.833 0.02 2 1296 148 152 GLN HG2 H 2.427 0.02 2 1297 148 152 GLN HG3 H 2.427 0.02 2 1298 148 152 GLN C C 173.063 0.02 1 1299 148 152 GLN CA C 57.820 0.02 1 1300 148 152 GLN CB C 27.900 0.02 1 1301 148 152 GLN CG C 33.403 0.02 1 1302 148 152 GLN N N 117.777 0.02 1 1303 148 152 GLN NE2 N 112.005 0.02 1 1304 149 153 SER H H 8.119 0.02 1 1305 149 153 SER HA H 4.700 0.02 1 1306 149 153 SER HB2 H 3.856 0.02 2 1307 149 153 SER HB3 H 3.856 0.02 2 1308 149 153 SER C C 170.883 0.02 1 1309 149 153 SER CA C 58.310 0.02 1 1310 149 153 SER CB C 64.880 0.02 1 1311 149 153 SER N N 112.973 0.02 1 1312 150 154 ILE H H 7.467 0.02 1 1313 150 154 ILE HA H 5.190 0.02 1 1314 150 154 ILE HB H 1.781 0.02 1 1315 150 154 ILE HD1 H 0.859 0.02 1 1316 150 154 ILE HG12 H 2.221 0.02 2 1317 150 154 ILE HG13 H 2.221 0.02 2 1318 150 154 ILE HG2 H 1.181 0.02 1 1319 150 154 ILE C C 173.626 0.02 1 1320 150 154 ILE CA C 60.176 0.02 1 1321 150 154 ILE CB C 37.400 0.02 1 1322 150 154 ILE CD1 C 14.000 0.02 1 1323 150 154 ILE CG1 C 27.667 0.02 1 1324 150 154 ILE CG2 C 16.880 0.02 1 1325 150 154 ILE N N 122.888 0.02 1 1326 151 155 SER H H 8.463 0.02 1 1327 151 155 SER HA H 4.153 0.02 1 1328 151 155 SER HB2 H 3.351 0.02 2 1329 151 155 SER HB3 H 3.738 0.02 2 1330 151 155 SER CA C 58.299 0.02 1 1331 151 155 SER CB C 64.761 0.02 1 1332 151 155 SER N N 118.591 0.02 1 1333 152 156 PHE HA H 4.240 0.02 1 1334 152 156 PHE HB2 H 3.224 0.02 2 1335 152 156 PHE HB3 H 3.224 0.02 2 1336 152 156 PHE HD1 H 7.205 0.02 3 1337 152 156 PHE HD2 H 7.205 0.02 3 1338 152 156 PHE C C 169.688 0.02 1 1339 152 156 PHE CD1 C 131.200 0.02 3 1340 152 156 PHE CD2 C 131.200 0.02 3 1341 153 157 ALA H H 8.568 0.02 1 1342 153 157 ALA HA H 5.419 0.02 1 1343 153 157 ALA HB H 1.256 0.02 1 1344 153 157 ALA C C 171.519 0.02 1 1345 153 157 ALA CA C 50.501 0.02 1 1346 153 157 ALA CB C 19.598 0.02 1 1347 153 157 ALA N N 127.566 0.02 1 1348 154 158 SER H H 9.527 0.02 1 1349 154 158 SER HA H 4.700 0.02 1 1350 154 158 SER HB2 H 3.579 0.02 2 1351 154 158 SER HB3 H 3.873 0.02 2 1352 154 158 SER C C 174.263 0.02 1 1353 154 158 SER CA C 56.595 0.02 1 1354 154 158 SER CB C 66.538 0.02 1 1355 154 158 SER N N 114.599 0.02 1 1356 155 159 GLY H H 8.388 0.02 1 1357 155 159 GLY HA2 H 4.414 0.02 2 1358 155 159 GLY HA3 H 4.414 0.02 2 1359 155 159 GLY C C 171.159 0.02 1 1360 155 159 GLY CA C 44.382 0.02 1 1361 155 159 GLY N N 109.607 0.02 1 1362 156 160 GLY H H 8.389 0.02 1 1363 156 160 GLY HA2 H 3.860 0.02 2 1364 156 160 GLY HA3 H 3.860 0.02 2 1365 156 160 GLY C C 172.124 0.02 1 1366 156 160 GLY CA C 44.940 0.02 1 1367 156 160 GLY N N 106.044 0.02 1 1368 157 161 ASP H H 7.809 0.02 1 1369 157 161 ASP HA H 4.710 0.02 1 1370 157 161 ASP HB2 H 2.750 0.02 2 1371 157 161 ASP HB3 H 2.650 0.02 2 1372 157 161 ASP CA C 52.865 0.02 1 1373 157 161 ASP CB C 40.238 0.02 1 1374 157 161 ASP N N 121.752 0.02 1 1375 158 162 PRO HA H 4.262 0.02 1 1376 158 162 PRO HB2 H 2.369 0.02 2 1377 158 162 PRO HB3 H 2.369 0.02 2 1378 158 162 PRO HD2 H 3.843 0.02 2 1379 158 162 PRO HD3 H 3.684 0.02 2 1380 158 162 PRO HG2 H 1.916 0.02 2 1381 158 162 PRO HG3 H 1.916 0.02 2 1382 158 162 PRO C C 175.425 0.02 1 1383 158 162 PRO CA C 65.499 0.02 1 1384 158 162 PRO CB C 31.400 0.02 1 1385 158 162 PRO CD C 50.489 0.02 1 1386 158 162 PRO CG C 26.691 0.02 1 1387 159 163 ASP H H 8.259 0.02 1 1388 159 163 ASP HA H 4.720 0.02 1 1389 159 163 ASP HB2 H 2.755 0.02 2 1390 159 163 ASP HB3 H 2.755 0.02 2 1391 159 163 ASP C C 174.214 0.02 1 1392 159 163 ASP CA C 54.843 0.02 1 1393 159 163 ASP CB C 40.594 0.02 1 1394 159 163 ASP N N 113.814 0.02 1 1395 160 164 THR H H 8.083 0.02 1 1396 160 164 THR HA H 4.945 0.02 1 1397 160 164 THR HB H 4.710 0.02 1 1398 160 164 THR HG2 H 1.061 0.02 1 1399 160 164 THR C C 173.124 0.02 1 1400 160 164 THR CA C 59.040 0.02 1 1401 160 164 THR CB C 68.865 0.02 1 1402 160 164 THR CG2 C 22.141 0.02 1 1403 160 164 THR N N 113.510 0.02 1 1404 161 165 ALA H H 7.523 0.02 1 1405 161 165 ALA HA H 3.938 0.02 1 1406 161 165 ALA HB H 1.457 0.02 1 1407 161 165 ALA C C 176.788 0.02 1 1408 161 165 ALA CA C 55.155 0.02 1 1409 161 165 ALA CB C 18.593 0.02 1 1410 161 165 ALA N N 123.882 0.02 1 1411 162 166 GLU HG2 H 1.934 0.02 2 1412 162 166 GLU HG3 H 2.083 0.02 2 1413 162 166 GLU C C 174.479 0.02 1 1414 162 166 GLU CG C 36.431 0.02 1 1415 163 167 TYR H H 7.280 0.02 1 1416 163 167 TYR HA H 5.422 0.02 1 1417 163 167 TYR HB2 H 2.710 0.02 2 1418 163 167 TYR HB3 H 2.809 0.02 2 1419 163 167 TYR HE1 H 6.719 0.02 3 1420 163 167 TYR HE2 H 6.719 0.02 3 1421 163 167 TYR C C 173.366 0.02 1 1422 163 167 TYR CA C 57.434 0.02 1 1423 163 167 TYR CB C 38.618 0.02 1 1424 163 167 TYR CE1 C 119.510 0.02 3 1425 163 167 TYR CE2 C 119.510 0.02 3 1426 163 167 TYR N N 121.728 0.02 1 1427 164 168 VAL H H 9.036 0.02 1 1428 164 168 VAL HA H 4.580 0.02 1 1429 164 168 VAL HB H 1.730 0.02 1 1430 164 168 VAL HG1 H 0.932 0.02 1 1431 164 168 VAL HG2 H 0.789 0.02 1 1432 164 168 VAL C C 170.186 0.02 1 1433 164 168 VAL CA C 60.640 0.02 1 1434 164 168 VAL CB C 35.319 0.02 1 1435 164 168 VAL CG1 C 22.571 0.02 2 1436 164 168 VAL CG2 C 22.245 0.02 2 1437 164 168 VAL N N 121.160 0.02 1 1438 165 169 ALA H H 9.231 0.02 1 1439 165 169 ALA HA H 6.004 0.02 1 1440 165 169 ALA HB H 1.152 0.02 1 1441 165 169 ALA C C 173.487 0.02 1 1442 165 169 ALA CA C 48.797 0.02 1 1443 165 169 ALA CB C 23.708 0.02 1 1444 165 169 ALA N N 128.122 0.02 1 1445 166 170 TYR H H 8.648 0.02 1 1446 166 170 TYR HA H 5.641 0.02 1 1447 166 170 TYR HB2 H 2.700 0.02 2 1448 166 170 TYR HB3 H 2.780 0.02 2 1449 166 170 TYR HD1 H 6.661 0.02 3 1450 166 170 TYR HD2 H 6.661 0.02 3 1451 166 170 TYR HE1 H 6.387 0.02 3 1452 166 170 TYR HE2 H 6.387 0.02 3 1453 166 170 TYR C C 169.944 0.02 1 1454 166 170 TYR CA C 56.199 0.02 1 1455 166 170 TYR CB C 41.110 0.02 1 1456 166 170 TYR CD1 C 131.649 0.02 3 1457 166 170 TYR CD2 C 131.649 0.02 3 1458 166 170 TYR CE1 C 116.958 0.02 3 1459 166 170 TYR CE2 C 116.958 0.02 3 1460 166 170 TYR N N 115.820 0.02 1 1461 167 171 VAL H H 8.670 0.02 1 1462 167 171 VAL HA H 5.052 0.02 1 1463 167 171 VAL HB H 2.261 0.02 1 1464 167 171 VAL HG1 H 0.917 0.02 1 1465 167 171 VAL HG2 H 0.924 0.02 1 1466 167 171 VAL C C 171.428 0.02 1 1467 167 171 VAL CA C 61.527 0.02 1 1468 167 171 VAL CB C 31.135 0.02 1 1469 167 171 VAL CG1 C 21.580 0.02 2 1470 167 171 VAL CG2 C 21.072 0.02 2 1471 167 171 VAL N N 122.363 0.02 1 1472 168 172 ALA H H 8.823 0.02 1 1473 168 172 ALA HA H 5.414 0.02 1 1474 168 172 ALA HB H 1.160 0.02 1 1475 168 172 ALA C C 172.760 0.02 1 1476 168 172 ALA CA C 49.356 0.02 1 1477 168 172 ALA CB C 23.726 0.02 1 1478 168 172 ALA N N 129.214 0.02 1 1479 169 173 LYS H H 7.268 0.02 1 1480 169 173 LYS HA H 5.008 0.02 1 1481 169 173 LYS HB2 H 1.652 0.02 2 1482 169 173 LYS HB3 H 1.652 0.02 2 1483 169 173 LYS HE2 H 3.042 0.02 2 1484 169 173 LYS HE3 H 3.042 0.02 2 1485 169 173 LYS C C 173.371 0.02 1 1486 169 173 LYS CA C 54.989 0.02 1 1487 169 173 LYS CB C 28.771 0.02 1 1488 169 173 LYS CE C 38.544 0.02 1 1489 169 173 LYS N N 115.283 0.02 1 1490 170 174 ASP H H 8.103 0.02 1 1491 170 174 ASP HA H 5.153 0.02 1 1492 170 174 ASP HB2 H 3.183 0.02 2 1493 170 174 ASP HB3 H 3.182 0.02 2 1494 170 174 ASP CA C 53.126 0.02 1 1495 170 174 ASP CB C 41.659 0.02 1 1496 170 174 ASP N N 119.025 0.02 1 1497 171 175 PRO HA H 4.500 0.02 1 1498 171 175 PRO HB2 H 1.971 0.02 2 1499 171 175 PRO HB3 H 2.510 0.02 2 1500 171 175 PRO C C 174.638 0.02 1 1501 171 175 PRO CA C 64.696 0.02 1 1502 171 175 PRO CB C 31.878 0.02 1 1503 172 176 VAL H H 8.545 0.02 1 1504 172 176 VAL HA H 4.023 0.02 1 1505 172 176 VAL HB H 2.137 0.02 1 1506 172 176 VAL HG1 H 1.036 0.02 1 1507 172 176 VAL HG2 H 0.946 0.02 1 1508 172 176 VAL C C 174.848 0.02 1 1509 172 176 VAL CA C 63.940 0.02 1 1510 172 176 VAL CB C 32.260 0.02 1 1511 172 176 VAL CG1 C 21.436 0.02 2 1512 172 176 VAL CG2 C 20.281 0.02 2 1513 172 176 VAL N N 117.699 0.02 1 1514 173 177 ASN H H 9.365 0.02 1 1515 173 177 ASN HA H 4.522 0.02 1 1516 173 177 ASN HB2 H 2.915 0.02 2 1517 173 177 ASN HB3 H 2.915 0.02 2 1518 173 177 ASN HD21 H 7.733 0.02 2 1519 173 177 ASN HD22 H 6.923 0.02 2 1520 173 177 ASN C C 172.714 0.02 1 1521 173 177 ASN CA C 53.566 0.02 1 1522 173 177 ASN CB C 40.310 0.02 1 1523 173 177 ASN N N 117.357 0.02 1 1524 173 177 ASN ND2 N 113.258 0.02 1 1525 174 178 GLN H H 7.935 0.02 1 1526 174 178 GLN HA H 4.076 0.02 1 1527 174 178 GLN HB2 H 2.085 0.02 2 1528 174 178 GLN HB3 H 2.085 0.02 2 1529 174 178 GLN HE21 H 7.321 0.02 2 1530 174 178 GLN HE22 H 6.684 0.02 2 1531 174 178 GLN HG2 H 2.279 0.02 2 1532 174 178 GLN HG3 H 2.279 0.02 2 1533 174 178 GLN C C 173.154 0.02 1 1534 174 178 GLN CA C 56.522 0.02 1 1535 174 178 GLN CB C 28.850 0.02 1 1536 174 178 GLN CG C 33.461 0.02 1 1537 174 178 GLN N N 113.161 0.02 1 1538 174 178 GLN NE2 N 113.176 0.02 1 1539 175 179 ARG H H 7.812 0.02 1 1540 175 179 ARG HA H 5.138 0.02 1 1541 175 179 ARG C C 173.076 0.02 1 1542 175 179 ARG CA C 55.391 0.02 1 1543 175 179 ARG N N 124.445 0.02 1 1544 176 180 ALA H H 9.232 0.02 1 1545 176 180 ALA HA H 4.975 0.02 1 1546 176 180 ALA HB H 0.908 0.02 1 1547 176 180 ALA C C 170.677 0.02 1 1548 176 180 ALA CA C 50.504 0.02 1 1549 176 180 ALA CB C 21.647 0.02 1 1550 176 180 ALA N N 128.927 0.02 1 1551 177 181 CYS H H 9.177 0.02 1 1552 177 181 CYS HA H 5.073 0.02 1 1553 177 181 CYS HB2 H 2.221 0.02 2 1554 177 181 CYS HB3 H 2.563 0.02 2 1555 177 181 CYS C C 170.747 0.02 1 1556 177 181 CYS CA C 55.938 0.02 1 1557 177 181 CYS CB C 26.515 0.02 1 1558 177 181 CYS N N 121.471 0.02 1 1559 178 182 HIS H H 9.231 0.02 1 1560 178 182 HIS HA H 5.008 0.02 1 1561 178 182 HIS HB2 H 2.665 0.02 2 1562 178 182 HIS HB3 H 2.665 0.02 2 1563 178 182 HIS HD2 H 6.744 0.02 1 1564 178 182 HIS HE1 H 7.873 0.02 1 1565 178 182 HIS CA C 55.902 0.02 1 1566 178 182 HIS CB C 30.659 0.02 1 1567 178 182 HIS CD2 C 119.761 0.02 1 1568 178 182 HIS CE1 C 138.511 0.02 1 1569 178 182 HIS N N 130.974 0.02 1 1570 179 183 ILE H H 7.888 0.02 1 1571 179 183 ILE HA H 4.920 0.02 1 1572 179 183 ILE HB H 1.643 0.02 1 1573 179 183 ILE HD1 H 0.668 0.02 1 1574 179 183 ILE HG12 H 1.332 0.02 2 1575 179 183 ILE HG13 H 1.332 0.02 2 1576 179 183 ILE HG2 H 0.984 0.02 1 1577 179 183 ILE C C 171.125 0.02 1 1578 179 183 ILE CA C 59.660 0.02 1 1579 179 183 ILE CB C 39.103 0.02 1 1580 179 183 ILE CD1 C 14.029 0.02 1 1581 179 183 ILE CG1 C 25.060 0.02 1 1582 179 183 ILE CG2 C 16.897 0.02 1 1583 179 183 ILE N N 120.001 0.02 1 1584 180 184 LEU H H 9.509 0.02 1 1585 180 184 LEU HA H 5.289 0.02 1 1586 180 184 LEU HB2 H 1.874 0.02 2 1587 180 184 LEU HB3 H 1.265 0.02 2 1588 180 184 LEU HD1 H 0.690 0.02 1 1589 180 184 LEU HD2 H 0.974 0.02 1 1590 180 184 LEU HG H 1.947 0.02 1 1591 180 184 LEU C C 172.578 0.02 1 1592 180 184 LEU CA C 52.034 0.02 1 1593 180 184 LEU CB C 43.094 0.02 1 1594 180 184 LEU CD1 C 26.728 0.02 2 1595 180 184 LEU CD2 C 25.685 0.02 2 1596 180 184 LEU CG C 26.569 0.02 1 1597 180 184 LEU N N 126.127 0.02 1 1598 181 185 GLU H H 9.572 0.02 1 1599 181 185 GLU HA H 4.304 0.02 1 1600 181 185 GLU HB2 H 1.947 0.02 2 1601 181 185 GLU HB3 H 1.947 0.02 2 1602 181 185 GLU HG2 H 2.272 0.02 2 1603 181 185 GLU HG3 H 2.272 0.02 2 1604 181 185 GLU C C 173.457 0.02 1 1605 181 185 GLU CA C 55.135 0.02 1 1606 181 185 GLU CB C 33.560 0.02 1 1607 181 185 GLU CG C 36.979 0.02 1 1608 181 185 GLU N N 124.938 0.02 1 1609 182 186 CYS H H 8.990 0.02 1 1610 182 186 CYS HA H 4.818 0.02 1 1611 182 186 CYS HB2 H 2.939 0.02 2 1612 182 186 CYS HB3 H 2.939 0.02 2 1613 182 186 CYS C C 169.096 0.02 1 1614 182 186 CYS CA C 55.719 0.02 1 1615 182 186 CYS CB C 28.690 0.02 1 1616 182 186 CYS N N 127.508 0.02 1 1617 183 187 PRO HA H 4.523 0.02 1 1618 183 187 PRO HB2 H 2.440 0.02 2 1619 183 187 PRO HB3 H 2.000 0.02 2 1620 183 187 PRO HD2 H 3.490 0.02 2 1621 183 187 PRO HD3 H 3.490 0.02 2 1622 183 187 PRO C C 173.638 0.02 1 1623 183 187 PRO CA C 62.434 0.02 1 1624 183 187 PRO CB C 32.400 0.02 1 1625 183 187 PRO CD C 49.910 0.02 1 1626 184 188 GLU H H 8.816 0.02 1 1627 184 188 GLU HA H 3.896 0.02 1 1628 184 188 GLU HB2 H 2.076 0.02 2 1629 184 188 GLU HB3 H 2.076 0.02 2 1630 184 188 GLU HG2 H 2.300 0.02 2 1631 184 188 GLU HG3 H 2.300 0.02 2 1632 184 188 GLU C C 174.547 0.02 1 1633 184 188 GLU CA C 57.763 0.02 1 1634 184 188 GLU CB C 28.276 0.02 1 1635 184 188 GLU CG C 35.683 0.02 1 1636 184 188 GLU N N 120.016 0.02 1 1637 185 189 GLY H H 8.816 0.02 1 1638 185 189 GLY HA2 H 3.890 0.02 2 1639 185 189 GLY HA3 H 4.230 0.02 2 1640 185 189 GLY C C 172.972 0.02 1 1641 185 189 GLY CA C 45.389 0.02 1 1642 185 189 GLY N N 110.993 0.02 1 1643 186 190 LEU H H 7.899 0.02 1 1644 186 190 LEU HA H 4.464 0.02 1 1645 186 190 LEU HB2 H 1.640 0.02 2 1646 186 190 LEU HB3 H 1.499 0.02 2 1647 186 190 LEU HD1 H 1.114 0.02 1 1648 186 190 LEU HD2 H 1.042 0.02 1 1649 186 190 LEU HG H 1.811 0.02 1 1650 186 190 LEU C C 175.455 0.02 1 1651 186 190 LEU CA C 55.057 0.02 1 1652 186 190 LEU CB C 43.647 0.02 1 1653 186 190 LEU CD1 C 24.197 0.02 2 1654 186 190 LEU CD2 C 24.261 0.02 2 1655 186 190 LEU CG C 26.931 0.02 1 1656 186 190 LEU N N 120.760 0.02 1 1657 187 191 ALA H H 8.589 0.02 1 1658 187 191 ALA HA H 3.933 0.02 1 1659 187 191 ALA HB H 1.386 0.02 1 1660 187 191 ALA C C 176.818 0.02 1 1661 187 191 ALA CA C 55.669 0.02 1 1662 187 191 ALA CB C 18.012 0.02 1 1663 187 191 ALA N N 123.558 0.02 1 1664 188 192 GLN H H 8.147 0.02 1 1665 188 192 GLN HA H 4.000 0.02 1 1666 188 192 GLN HB2 H 2.096 0.02 2 1667 188 192 GLN HB3 H 2.096 0.02 2 1668 188 192 GLN HE21 H 7.563 0.02 2 1669 188 192 GLN HE22 H 6.846 0.02 2 1670 188 192 GLN HG2 H 2.478 0.02 2 1671 188 192 GLN HG3 H 2.478 0.02 2 1672 188 192 GLN C C 175.516 0.02 1 1673 188 192 GLN CA C 57.836 0.02 1 1674 188 192 GLN CB C 27.464 0.02 1 1675 188 192 GLN CG C 33.587 0.02 1 1676 188 192 GLN N N 113.990 0.02 1 1677 188 192 GLN NE2 N 112.379 0.02 1 1678 189 193 ASP H H 7.376 0.02 1 1679 189 193 ASP HA H 4.375 0.02 1 1680 189 193 ASP HB2 H 2.800 0.02 2 1681 189 193 ASP HB3 H 2.800 0.02 2 1682 189 193 ASP C C 176.000 0.02 1 1683 189 193 ASP CA C 56.383 0.02 1 1684 189 193 ASP CB C 40.199 0.02 1 1685 189 193 ASP N N 122.383 0.02 1 1686 190 194 VAL H H 8.116 0.02 1 1687 190 194 VAL HA H 3.040 0.02 1 1688 190 194 VAL HB H 1.907 0.02 1 1689 190 194 VAL HG1 H 0.491 0.02 1 1690 190 194 VAL HG2 H 0.081 0.02 1 1691 190 194 VAL C C 175.728 0.02 1 1692 190 194 VAL CA C 66.886 0.02 1 1693 190 194 VAL CB C 30.572 0.02 1 1694 190 194 VAL CG1 C 20.861 0.02 2 1695 190 194 VAL CG2 C 20.268 0.02 2 1696 190 194 VAL N N 121.542 0.02 1 1697 191 195 ILE H H 8.330 0.02 1 1698 191 195 ILE HA H 3.840 0.02 1 1699 191 195 ILE HB H 1.764 0.02 1 1700 191 195 ILE HD1 H 0.932 0.02 1 1701 191 195 ILE HG12 H 0.859 0.02 2 1702 191 195 ILE HG13 H 0.859 0.02 2 1703 191 195 ILE HG2 H 0.524 0.02 1 1704 191 195 ILE C C 174.962 0.02 1 1705 191 195 ILE CA C 59.624 0.02 1 1706 191 195 ILE CB C 37.393 0.02 1 1707 191 195 ILE CD1 C 13.963 0.02 1 1708 191 195 ILE CG1 C 25.459 0.02 1 1709 191 195 ILE CG2 C 23.654 0.02 1 1710 191 195 ILE N N 116.749 0.02 1 1711 192 196 SER H H 8.266 0.02 1 1712 192 196 SER HA H 4.391 0.02 1 1713 192 196 SER HB3 H 3.772 0.02 2 1714 192 196 SER C C 173.548 0.02 1 1715 192 196 SER CA C 59.969 0.02 1 1716 192 196 SER CB C 63.470 0.02 1 1717 192 196 SER N N 115.714 0.02 1 1718 193 197 THR H H 8.323 0.02 1 1719 193 197 THR HB H 4.180 0.02 1 1720 193 197 THR HG2 H 1.057 0.02 1 1721 193 197 THR C C 173.586 0.02 1 1722 193 197 THR CB C 67.958 0.02 1 1723 193 197 THR CG2 C 20.389 0.02 1 1724 193 197 THR N N 122.723 0.02 1 1725 194 198 ILE H H 7.891 0.02 1 1726 194 198 ILE HA H 4.109 0.02 1 1727 194 198 ILE HB H 1.498 0.02 1 1728 194 198 ILE HD1 H 0.429 0.02 1 1729 194 198 ILE HG12 H 1.343 0.02 2 1730 194 198 ILE HG13 H 1.343 0.02 2 1731 194 198 ILE HG2 H -0.157 0.02 1 1732 194 198 ILE C C 173.699 0.02 1 1733 194 198 ILE CA C 65.885 0.02 1 1734 194 198 ILE CB C 36.859 0.02 1 1735 194 198 ILE CD1 C 12.846 0.02 1 1736 194 198 ILE CG1 C 23.754 0.02 1 1737 194 198 ILE CG2 C 16.322 0.02 1 1738 194 198 ILE N N 123.147 0.02 1 1739 195 199 GLY H H 7.622 0.02 1 1740 195 199 GLY HA2 H 3.642 0.02 2 1741 195 199 GLY HA3 H 3.642 0.02 2 1742 195 199 GLY C C 176.058 0.02 1 1743 195 199 GLY CA C 46.122 0.02 1 1744 195 199 GLY N N 105.241 0.02 1 1745 196 200 GLN C C 174.733 0.02 1 1746 197 201 ALA H H 7.798 0.02 1 1747 197 201 ALA HA H 3.579 0.02 1 1748 197 201 ALA HB H 0.977 0.02 1 1749 197 201 ALA C C 177.091 0.02 1 1750 197 201 ALA CA C 55.065 0.02 1 1751 197 201 ALA CB C 16.883 0.02 1 1752 197 201 ALA N N 121.478 0.02 1 1753 198 202 PHE H H 8.450 0.02 1 1754 198 202 PHE HD1 H 6.942 0.02 3 1755 198 202 PHE HD2 H 6.942 0.02 3 1756 198 202 PHE CA C 59.150 0.02 1 1757 198 202 PHE CD1 C 131.274 0.02 3 1758 198 202 PHE CD2 C 131.274 0.02 3 1759 198 202 PHE N N 120.017 0.02 1 1760 199 203 GLU HB2 H 2.489 0.02 2 1761 199 203 GLU HB3 H 2.501 0.02 2 1762 199 203 GLU HG2 H 2.427 0.02 2 1763 199 203 GLU HG3 H 2.550 0.02 2 1764 199 203 GLU C C 176.543 0.02 1 1765 199 203 GLU CB C 29.362 0.02 1 1766 199 203 GLU CG C 36.455 0.02 1 1767 200 204 LEU H H 8.245 0.02 1 1768 200 204 LEU HA H 3.998 0.02 1 1769 200 204 LEU HB2 H 1.700 0.02 2 1770 200 204 LEU HB3 H 1.850 0.02 2 1771 200 204 LEU HD2 H 0.873 0.02 1 1772 200 204 LEU C C 176.922 0.02 1 1773 200 204 LEU CA C 57.970 0.02 1 1774 200 204 LEU CB C 40.179 0.02 1 1775 200 204 LEU CD2 C 24.744 0.02 2 1776 200 204 LEU N N 118.181 0.02 1 1777 201 205 ARG H H 8.868 0.02 1 1778 201 205 ARG HA H 4.121 0.02 1 1779 201 205 ARG HB2 H 1.725 0.02 2 1780 201 205 ARG HB3 H 1.725 0.02 2 1781 201 205 ARG C C 172.644 0.02 1 1782 201 205 ARG CA C 56.734 0.02 1 1783 201 205 ARG CB C 30.000 0.02 1 1784 201 205 ARG N N 119.111 0.02 1 1785 202 206 PHE H H 7.980 0.02 1 1786 202 206 PHE HA H 5.565 0.02 1 1787 202 206 PHE C C 174.362 0.02 1 1788 202 206 PHE CA C 57.958 0.02 1 1789 202 206 PHE N N 118.086 0.02 1 1790 204 208 GLN H H 8.007 0.02 1 1791 204 208 GLN HA H 4.065 0.02 1 1792 204 208 GLN HB2 H 1.998 0.02 2 1793 204 208 GLN HB3 H 1.998 0.02 2 1794 204 208 GLN HE21 H 8.075 0.02 2 1795 204 208 GLN HE22 H 6.806 0.02 2 1796 204 208 GLN C C 174.123 0.02 1 1797 204 208 GLN CA C 57.069 0.02 1 1798 204 208 GLN CB C 28.954 0.02 1 1799 204 208 GLN N N 120.415 0.02 1 1800 204 208 GLN NE2 N 111.684 0.02 1 1801 205 209 TYR H H 7.685 0.02 1 1802 205 209 TYR HA H 4.489 0.02 1 1803 205 209 TYR HB2 H 3.201 0.02 2 1804 205 209 TYR HB3 H 2.910 0.02 2 1805 205 209 TYR HD1 H 7.222 0.02 3 1806 205 209 TYR HD2 H 7.222 0.02 3 1807 205 209 TYR HE1 H 6.774 0.02 3 1808 205 209 TYR HE2 H 6.774 0.02 3 1809 205 209 TYR C C 173.214 0.02 1 1810 205 209 TYR CA C 58.128 0.02 1 1811 205 209 TYR CB C 38.138 0.02 1 1812 205 209 TYR CD1 C 132.831 0.02 3 1813 205 209 TYR CD2 C 132.831 0.02 3 1814 205 209 TYR CE1 C 117.686 0.02 3 1815 205 209 TYR CE2 C 117.686 0.02 3 1816 205 209 TYR N N 117.189 0.02 1 1817 206 210 LEU H H 7.624 0.02 1 1818 206 210 LEU HA H 4.240 0.02 1 1819 206 210 LEU HB2 H 1.551 0.02 2 1820 206 210 LEU HB3 H 1.551 0.02 2 1821 206 210 LEU HD1 H 0.845 0.02 1 1822 206 210 LEU HD2 H 0.783 0.02 1 1823 206 210 LEU HG H 1.498 0.02 1 1824 206 210 LEU C C 173.490 0.02 1 1825 206 210 LEU CA C 54.866 0.02 1 1826 206 210 LEU CB C 41.540 0.02 1 1827 206 210 LEU CD1 C 22.000 0.02 2 1828 206 210 LEU CD2 C 23.291 0.02 2 1829 206 210 LEU CG C 26.071 0.02 1 1830 206 210 LEU N N 122.133 0.02 1 1831 207 211 ARG H H 7.628 0.02 1 1832 207 211 ARG HA H 4.146 0.02 1 1833 207 211 ARG HB2 H 1.858 0.02 2 1834 207 211 ARG HB3 H 1.710 0.02 2 1835 207 211 ARG HD2 H 3.181 0.02 2 1836 207 211 ARG HD3 H 3.181 0.02 2 1837 207 211 ARG HG2 H 1.586 0.02 2 1838 207 211 ARG HG3 H 1.586 0.02 2 1839 207 211 ARG C C 178.431 0.02 1 1840 207 211 ARG CA C 56.943 0.02 1 1841 207 211 ARG CB C 31.150 0.02 1 1842 207 211 ARG CD C 42.140 0.02 1 1843 207 211 ARG CG C 26.783 0.02 1 1844 207 211 ARG N N 126.086 0.02 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPN-Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D 1H-15N edited NOESY' '3D 1H-13C edited NOESY' '3D HNCACO' '3D 1H-13C aromatic NOESY' '2D 13C,15N FilteredTOCSY' '2D 13C,15N Filtered NOESY' '3D F1 13C,15N Filtered, F2 13C edited NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Integrin beta3' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 737 2 ALA H H 8.176 0.02 1 2 737 2 ALA HA H 4.250 0.02 1 3 737 2 ALA HB H 1.362 0.02 1 4 738 3 LYS H H 8.025 0.02 1 5 738 3 LYS HA H 4.257 0.02 1 6 738 3 LYS HB2 H 1.637 0.02 2 7 738 3 LYS HB3 H 1.774 0.02 2 8 739 4 TRP H H 7.771 0.02 1 9 739 4 TRP HA H 4.681 0.02 1 10 739 4 TRP HB2 H 3.246 0.02 2 11 739 4 TRP HB3 H 3.287 0.02 2 12 739 4 TRP HD1 H 7.203 0.02 1 13 739 4 TRP HE1 H 10.140 0.02 1 14 739 4 TRP HE3 H 7.592 0.02 1 15 739 4 TRP HH2 H 7.132 0.02 1 16 739 4 TRP HZ2 H 7.217 0.02 1 17 739 4 TRP HZ3 H 7.464 0.02 1 18 740 5 ASP H H 8.018 0.02 1 19 740 5 ASP HA H 4.610 0.02 1 20 740 5 ASP HB2 H 2.477 0.02 2 21 740 5 ASP HB3 H 2.581 0.02 2 22 741 6 THR H H 7.941 0.02 1 23 741 6 THR HA H 4.212 0.02 1 24 741 6 THR HB H 4.051 0.02 1 25 741 6 THR HG2 H 1.137 0.02 1 26 742 7 ALA H H 8.229 0.02 1 27 742 7 ALA HA H 4.286 0.02 1 28 742 7 ALA HB H 1.365 0.02 1 29 743 8 ASN H H 8.150 0.02 1 30 743 8 ASN HA H 4.627 0.02 1 31 743 8 ASN HB2 H 2.655 0.02 2 32 743 8 ASN HB3 H 2.761 0.02 2 33 743 8 ASN HD21 H 7.570 0.02 2 34 743 8 ASN HD22 H 6.843 0.02 2 35 744 9 ASN H H 8.112 0.02 1 36 744 9 ASN HA H 4.880 0.02 1 37 744 9 ASN HB2 H 2.761 0.02 2 38 744 9 ASN HB3 H 2.644 0.02 2 39 744 9 ASN HD21 H 7.643 0.02 2 40 744 9 ASN HD22 H 6.831 0.02 2 41 745 10 PRO HA H 4.350 0.02 1 42 745 10 PRO HB2 H 1.885 0.02 2 43 745 10 PRO HB3 H 2.258 0.02 2 44 745 10 PRO HD2 H 3.726 0.02 2 45 745 10 PRO HD3 H 3.726 0.02 2 46 745 10 PRO HG2 H 1.981 0.02 2 47 745 10 PRO HG3 H 1.936 0.02 2 48 746 11 LEU H H 8.010 0.02 1 49 746 11 LEU HA H 4.371 0.02 1 50 746 11 LEU HB2 H 1.638 0.02 2 51 746 11 LEU HB3 H 1.638 0.02 2 52 746 11 LEU HD1 H 0.902 0.02 1 53 746 11 LEU HD2 H 0.902 0.02 1 54 746 11 LEU HG H 1.385 0.02 1 55 747 12 PTR H H 7.766 0.02 1 56 747 12 PTR HA H 4.535 0.02 1 57 747 12 PTR HB2 H 3.091 0.02 1 58 747 12 PTR HB3 H 3.001 0.02 1 59 747 12 PTR HD1 H 7.106 0.02 1 60 747 12 PTR HD2 H 7.106 0.02 1 61 748 13 LYS H H 7.882 0.02 1 62 748 13 LYS HA H 4.187 0.02 1 63 748 13 LYS HB2 H 1.737 0.02 2 64 748 13 LYS HB3 H 1.737 0.02 2 65 748 13 LYS HD2 H 1.641 0.02 2 66 748 13 LYS HD3 H 1.641 0.02 2 67 748 13 LYS HE2 H 2.936 0.02 2 68 748 13 LYS HE3 H 2.936 0.02 2 69 748 13 LYS HG2 H 1.250 0.02 2 70 748 13 LYS HG3 H 1.250 0.02 2 71 749 14 GLU H H 8.245 0.02 1 72 749 14 GLU HA H 4.219 0.02 1 73 749 14 GLU HB2 H 1.934 0.02 2 74 749 14 GLU HB3 H 2.048 0.02 2 75 749 14 GLU HG2 H 2.268 0.02 2 76 749 14 GLU HG3 H 2.268 0.02 2 77 750 15 ALA H H 8.325 0.02 1 78 750 15 ALA HA H 4.220 0.02 1 79 750 15 ALA HB H 1.405 0.02 1 80 751 16 THR H H 8.044 0.02 1 81 751 16 THR HA H 4.311 0.02 1 82 751 16 THR HB H 4.131 0.02 1 83 751 16 THR HG2 H 1.186 0.02 1 84 752 17 SER H H 8.241 0.02 1 85 752 17 SER HA H 4.500 0.02 1 86 752 17 SER HB2 H 3.945 0.02 2 87 752 17 SER HB3 H 3.945 0.02 2 88 753 18 THR H H 7.993 0.02 1 89 753 18 THR HA H 4.275 0.02 1 90 753 18 THR HB H 4.134 0.02 1 91 753 18 THR HG2 H 1.148 0.02 1 92 754 19 PHE H H 8.117 0.02 1 93 754 19 PHE HA H 4.556 0.02 1 94 754 19 PHE HB2 H 3.008 0.02 2 95 754 19 PHE HB3 H 3.067 0.02 2 96 754 19 PHE HD1 H 7.154 0.02 3 97 754 19 PHE HD2 H 7.154 0.02 3 98 754 19 PHE HE1 H 7.130 0.02 3 99 754 19 PHE HE2 H 7.130 0.02 3 100 755 20 THR H H 8.050 0.02 1 101 755 20 THR HA H 4.311 0.02 1 102 755 20 THR HB H 4.222 0.02 1 103 755 20 THR HG2 H 1.097 0.02 1 104 756 21 ASN H H 8.318 0.02 1 105 756 21 ASN HB2 H 2.729 0.02 2 106 756 21 ASN HB3 H 2.808 0.02 2 107 756 21 ASN HD21 H 7.569 0.02 2 108 756 21 ASN HD22 H 6.853 0.02 2 109 757 22 ILE H H 8.080 0.02 1 110 757 22 ILE HA H 4.214 0.02 1 111 757 22 ILE HB H 1.882 0.02 1 112 757 22 ILE HD1 H 0.859 0.02 1 113 757 22 ILE HG12 H 1.173 0.02 2 114 757 22 ILE HG13 H 1.173 0.02 2 115 758 23 THR H H 8.136 0.02 1 116 758 23 THR HA H 4.308 0.02 1 117 758 23 THR HB H 4.129 0.02 1 118 758 23 THR HG2 H 1.140 0.02 1 119 759 24 PTR H H 8.153 0.02 1 120 759 24 PTR HA H 4.516 0.02 1 121 759 24 PTR HB2 H 3.015 0.02 1 122 759 24 PTR HB3 H 3.159 0.02 1 123 759 24 PTR HD1 H 7.327 0.02 1 124 759 24 PTR HD2 H 7.327 0.02 1 125 759 24 PTR HE1 H 7.234 0.02 1 126 759 24 PTR HE2 H 7.234 0.02 1 127 760 25 ARG H H 8.215 0.02 1 128 760 25 ARG HA H 4.242 0.02 1 129 760 25 ARG HB2 H 1.726 0.02 2 130 760 25 ARG HB3 H 1.792 0.02 2 131 760 25 ARG HG2 H 1.402 0.02 2 132 760 25 ARG HG3 H 1.402 0.02 2 133 761 26 GLY H H 8.057 0.02 1 134 761 26 GLY HA2 H 3.980 0.02 2 135 761 26 GLY HA3 H 3.943 0.02 2 136 762 27 THR H H 7.676 0.02 1 137 762 27 THR HA H 4.241 0.02 1 138 762 27 THR HB H 4.154 0.02 1 139 762 27 THR HG2 H 1.148 0.02 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $CCPN-Analysis stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599.709 _T1_coherence_type NzHz _T1_value_units s _Mol_system_component_name 'Shc PTB domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 22 GLN N 0.47316092 0.06126919 2 23 LEU N 0.29187707 0.06329586 3 24 GLY N 0.35445511 0.05312648 4 25 GLY N 0.38126286 0.05048631 5 26 GLU N 0.37707117 0.05021768 6 27 GLU N 0.32539909 0.05505941 7 28 TRP N 0.37251953 0.04676418 8 32 GLY N 0.63276685 0.09975934 9 33 SER N 0.72348878 0.07795579 10 34 PHE N 0.52585694 0.09980642 11 40 ARG N 0.30215255 0.04628729 12 41 GLY N 0.36681655 0.05662425 13 42 TRP N 0.49201907 0.07547322 14 43 LEU N 0.56053747 0.07535438 15 44 HIS N 0.77354156 0.05615417 16 46 ASN N 0.62272897 0.06338723 17 47 ASP N 0.75297325 0.03109915 18 48 LYS N 0.91366731 0.01515425 19 49 VAL N 0.91459469 0.02661644 20 50 MET N 0.87029617 0.03446428 21 51 GLY N 0.99270439 0.0262778 22 53 GLY N 0.9147213 0.03237331 23 54 VAL N 0.77443311 0.04983951 24 55 SER N 0.85882659 0.02839787 25 56 TYR N 0.88450998 0.05472334 26 57 LEU N 0.95086994 0.03079781 27 58 VAL N 0.83649615 0.04471766 28 59 ARG N 0.86039728 0.04171487 29 60 TYR N 0.88409422 0.05409063 30 61 MET N 0.85077261 0.0431163 31 62 GLY N 0.82792683 0.06762769 32 63 CYS N 0.7644835 0.05467651 33 64 VAL N 0.79722717 0.04189062 34 65 GLU N 0.84251686 0.04795886 35 66 VAL N 0.79900274 0.04873258 36 67 LEU N 0.94915062 0.04193984 37 68 GLN N 0.82271573 0.05658052 38 71 ARG N 0.67685177 0.05048708 39 72 ALA N 0.59230839 0.07993078 40 73 LEU N 0.80875459 0.05309672 41 74 ASP N 0.65873615 0.04470567 42 76 ASN N 0.48162233 0.07441718 43 77 THR N 0.51408586 0.0652941 44 78 ARG N 0.67874858 0.05238688 45 80 GLN N 0.74332882 0.05720138 46 81 VAL N 0.66852053 0.04305013 47 82 THR N 0.71723983 0.09771908 48 83 ARG N 0.64944335 0.10867443 49 84 GLU N 0.56874057 0.08311377 50 85 ALA N 0.78352346 0.04038853 51 86 ILE N 0.81948877 0.0432434 52 87 SER N 0.81625663 0.06489205 53 88 LEU N 0.6496777 0.06942667 54 89 VAL N 0.80760939 0.06115597 55 90 CYS N 0.79185551 0.02360436 56 91 GLU N 0.76793606 0.04243173 57 92 ALA N 0.79205105 0.04396046 58 93 VAL N 0.88070838 0.03909588 59 95 GLY N 0.53396803 0.05846467 60 96 ALA N 0.50600052 0.0429847 61 97 LYS N 0.56849264 0.04286975 62 98 GLY N 0.4030907 0.05635815 63 99 ALA N 0.41223706 0.04863743 64 100 THR N 0.63532092 0.05693454 65 101 ARG N 0.60841022 0.06476148 66 102 ARG N 0.49769198 0.04368459 67 103 ARG N 0.41859684 0.03803509 68 104 LYS N 0.47466746 0.04148713 69 106 CYS N 0.50040811 0.03579308 70 108 ARG N 0.38959694 0.0515654 71 110 LEU N 0.44962453 0.05580511 72 111 SER N 0.48898665 0.04864606 73 112 SER N 0.6606996 0.04450289 74 113 ILE N 0.70386545 0.03263541 75 114 LEU N 0.76728865 0.06103726 76 115 GLY N 0.97770003 0.04352081 77 116 ARG N 0.94996096 0.02702508 78 117 SER N 0.9544639 0.01722825 79 118 ASN N 0.93597925 0.04373539 80 119 LEU N 0.77857979 0.07371266 81 120 LYS N 0.78472547 0.03350304 82 121 PHE N 0.9401737 0.08330538 83 122 ALA N 0.79205105 0.04396046 84 124 MET N 0.56695294 0.06590076 85 126 ILE N 0.86493844 0.02612323 86 127 THR N 0.89261663 0.04810424 87 128 LEU N 0.91389011 0.0516437 88 129 THR N 0.85144303 0.03306553 89 130 VAL N 0.86273185 0.04908318 90 131 SER N 0.62857934 0.03828687 91 132 THR N 0.89903391 0.03937851 92 134 SER N 0.72965255 0.03615982 93 135 LEU N 0.7551883 0.06582406 94 136 ASN N 0.75767831 0.04236086 95 137 LEU N 0.89880288 0.04200786 96 139 ALA N 0.87195587 0.04512728 97 140 ALA N 0.7580858 0.02169451 98 141 ASP N 0.66799748 0.04696435 99 142 CYS N 0.3761306 0.04916267 100 143 LYS N 0.71842673 0.04824433 101 145 ILE N 0.86654872 0.02444157 102 146 ILE N 0.93648772 0.04301057 103 148 ASN N 0.61323701 0.04468507 104 149 HIS N 0.78419677 0.06232178 105 150 HIS N 0.6237954 0.07416836 106 152 GLN N 0.73830458 0.05885718 107 153 SER N 0.71247657 0.03797087 108 154 ILE N 0.74565139 0.05136922 109 155 SER N 0.76302119 0.06222469 110 157 ALA N 0.72036631 0.11293484 111 158 SER N 0.73007021 0.09634652 112 160 GLY N 0.64867343 0.08350584 113 161 ASP N 0.65858989 0.07770043 114 163 ASP N 0.5753036 0.09270952 115 164 THR N 0.612486 0.084012 116 165 ALA N 0.73170852 0.09186166 117 167 TYR N 0.71360311 0.0766613 118 168 VAL N 0.78457066 0.10790434 119 169 ALA N 0.81513125 0.06349639 120 170 TYR N 0.72068004 0.07842874 121 171 VAL N 0.59593901 0.04447245 122 172 ALA N 0.85677621 0.06272361 123 173 LYS N 0.74842386 0.09319736 124 174 ASP N 0.75453761 0.09908438 125 176 VAL N 0.92372914 0.0276497 126 177 ASN N 0.93292385 0.03726963 127 178 GLN N 0.81424986 0.02143512 128 179 ARG N 0.73104252 0.05706524 129 180 ALA N 0.80998667 0.05054744 130 181 CYS N 0.87382667 0.04159473 131 182 HIS N 0.92252558 0.04827525 132 183 ILE N 0.71476027 0.04003853 133 184 LEU N 0.89929246 0.03179549 134 185 GLU N 0.87486856 0.06096222 135 186 CYS N 0.7376017 0.06407069 136 188 GLU N 0.51428087 0.05606192 137 189 GLY N 0.50444689 0.06674325 138 190 LEU N 0.73361117 0.03683909 139 191 ALA N 0.6968475 0.06773469 140 192 GLN N 0.74201777 0.08138276 141 193 ASP N 0.82548266 0.05458413 142 194 VAL N 0.64501051 0.07867065 143 195 ILE N 0.64951495 0.07572566 144 196 SER N 0.436426 0.032148 145 199 GLY N 0.70351871 0.05418671 146 201 ALA N 0.67880823 0.04791228 147 202 PHE N 0.70854814 0.04244838 148 204 LEU N 0.30776383 0.06048378 149 205 ARG N 0.91815839 0.05514292 150 206 PHE N 0.63518036 0.07978787 151 208 GLN N 0.37254926 0.04678529 152 209 TYR N 0.69444859 0.04367122 153 210 LEU N 0.57176943 0.04670553 154 211 ARG N 0.73242469 0.02542524 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $CCPN-Analysis stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599.709 _T2_coherence_type NzHz _T2_value_units s _Mol_system_component_name 'Shc PTB domain' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 22 GLN N 0.07406856 0.00947634 . . 2 23 LEU N 0.05209895 0.01615952 . . 3 24 GLY N 0.08289689 0.01727996 . . 4 25 GLY N 0.08644338 0.01343519 . . 5 26 GLU N 0.07021835 0.01123568 . . 6 27 GLU N 0.05692842 0.0120222 . . 7 28 TRP N 0.05946201 0.00873816 . . 8 32 GLY N 0.0321687 0.00553286 . . 9 33 SER N 0.03151742 0.00455765 . . 10 34 PHE N 0.03089845 0.00902777 . . 11 40 ARG N 0.05665372 0.00940788 . . 12 41 GLY N 0.04325955 0.0079272 . . 13 42 TRP N 0.03262681 0.00592139 . . 14 43 LEU N 0.03705512 0.00443011 . . 15 44 HIS N 0.05157487 0.0029892 . . 16 46 ASN N 0.05402074 0.00432024 . . 17 47 ASP N 0.05511074 0.00132137 . . 18 48 LYS N 0.06034243 0.0026018 . . 19 49 VAL N 0.05225832 0.002203 . . 20 50 MET N 0.05664665 0.00153816 . . 21 51 GLY N 0.06384291 0.00207701 . . 22 53 GLY N 0.05328596 0.00130792 . . 23 54 VAL N 0.04702493 0.00085448 . . 24 55 SER N 0.05786404 0.00123269 . . 25 56 TYR N 0.04497687 0.00112971 . . 26 57 LEU N 0.05292575 0.00101221 . . 27 58 VAL N 0.04510091 0.00238384 . . 28 59 ARG N 0.0463039 0.00115926 . . 29 60 TYR N 0.0434519 0.00243515 . . 30 61 MET N 0.06264656 0.00374826 . . 31 62 GLY N 0.05610155 0.00723924 . . 32 63 CYS N 0.04296697 0.003417 . . 33 64 VAL N 0.04575481 0.00150938 . . 34 65 GLU N 0.04465342 0.00153896 . . 35 66 VAL N 0.05176614 0.00209648 . . 36 67 LEU N 0.05918747 0.00178205 . . 37 68 GLN N 0.05100718 0.00331958 . . 38 71 ARG N 0.04460358 0.00233634 . . 39 72 ALA N 0.04244951 0.0057092 . . 40 73 LEU N 0.05109986 0.00240924 . . 41 74 ASP N 0.05300104 0.00182141 . . 42 76 ASN N 0.03577303 0.00464464 . . 43 77 THR N 0.03125501 0.00306353 . . 44 78 ARG N 0.05256741 0.00164992 . . 45 80 GLN N 0.04695023 0.00277249 . . 46 81 VAL N 0.04800888 0.00223754 . . 47 82 THR N 0.02572841 0.00509075 . . 48 83 ARG N 0.02626316 0.00446666 . . 49 84 GLU N 0.03727127 0.00575413 . . 50 85 ALA N 0.06003484 0.00316613 . . 51 86 ILE N 0.04514639 0.00364576 . . 52 87 SER N 0.0508708 0.00372308 . . 53 88 LEU N 0.04188346 0.00478757 . . 54 89 VAL N 0.04015081 0.00355753 . . 55 90 CYS N 0.05121625 0.0008232 . . 56 91 GLU N 0.04634 0.00222459 . . 57 92 ALA N 0.04908414 0.00258361 . . 58 93 VAL N 0.05985656 0.00234716 . . 59 95 GLY N 0.0758236 0.00345504 . . 60 96 ALA N 0.06013926 0.00398282 . . 61 97 LYS N 0.06094298 0.00396699 . . 62 98 GLY N 0.04753493 0.00577032 . . 63 99 ALA N 0.05743064 0.00678783 . . 64 100 THR N 0.06343829 0.00238476 . . 65 101 ARG N 0.10694979 0.00716293 . . 66 102 ARG N 0.07366174 0.00354618 . . 67 103 ARG N 0.10236573 0.00725765 . . 68 104 LYS N 0.07365805 0.00397677 . . 69 106 CYS N 0.05558443 0.00253331 . . 70 108 ARG N 0.05643495 0.0077708 . . 71 110 LEU N 0.0472832 0.00617107 . . 72 111 SER N 0.05454263 0.00222074 . . 73 112 SER N 0.04901671 0.00212136 . . 74 113 ILE N 0.0580227 0.0014706 . . 75 114 LEU N 0.04651371 0.00253794 . . 76 115 GLY N 0.05644806 0.00159406 . . 77 116 ARG N 0.05999713 0.00224556 . . 78 117 SER N 0.05418686 0.00265658 . . 79 118 ASN N 0.03967938 0.00152286 . . 80 119 LEU N 0.04828201 0.00237578 . . 81 120 LYS N 0.06095405 0.00127918 . . 82 121 PHE N 0.04188507 0.00590279 . . 83 122 ALA N 0.04908414 0.00258361 . . 84 124 MET N 0.06989595 0.00529379 . . 85 126 ILE N 0.04679036 0.0022147 . . 86 127 THR N 0.05451622 0.00195994 . . 87 128 LEU N 0.05170604 0.00248001 . . 88 129 THR N 0.06287917 0.00193364 . . 89 130 VAL N 0.05895208 0.00393133 . . 90 131 SER N 0.07310933 0.00311 . . 91 132 THR N 0.05968628 0.00391867 . . 92 134 SER N 0.0513816 0.00191304 . . 93 135 LEU N 0.03936562 0.00184669 . . 94 136 ASN N 0.05689495 0.00224994 . . 95 137 LEU N 0.05373181 0.00163359 . . 96 139 ALA N 0.03778073 0.00198578 . . 97 140 ALA N 0.05876911 0.00078655 . . 98 141 ASP N 0.06122447 0.00217288 . . 99 142 CYS N 0.02864844 0.00395628 . . 100 143 LYS N 0.04755668 0.00095602 . . 101 145 ILE N 0.05903785 0.00202972 . . 102 146 ILE N 0.05592977 0.00321545 . . 103 148 ASN N 0.04716362 0.00172889 . . 104 149 HIS N 0.04741202 0.0021699 . . 105 150 HIS N 0.04726501 0.00373562 . . 106 152 GLN N 0.04838981 0.00282047 . . 107 153 SER N 0.04884383 0.00221236 . . 108 154 ILE N 0.03738324 0.0024252 . . 109 155 SER N 0.03506788 0.00295771 . . 110 157 ALA N 0.02644712 0.00469759 . . 111 158 SER N 0.03855704 0.00626563 . . 112 160 GLY N 0.03738755 0.00649057 . . 113 161 ASP N 0.02934372 0.00456208 . . 114 163 ASP N 0.02400719 0.00577526 . . 115 164 THR N 0.03343093 0.00506525 . . 116 165 ALA N 0.03757232 0.00637366 . . 117 167 TYR N 0.02954891 0.00346145 . . 118 168 VAL N 0.0295246 0.00376385 . . 119 169 ALA N 0.04338752 0.003831 . . 120 170 TYR N 0.03780039 0.00510547 . . 121 171 VAL N 0.06316272 0.00482606 . . 122 172 ALA N 0.04571595 0.00247565 . . 123 173 LYS N 0.03889603 0.00358923 . . 124 174 ASP N 0.02694531 0.00251094 . . 125 176 VAL N 0.0521444 0.00187314 . . 126 177 ASN N 0.05643946 0.00278475 . . 127 178 GLN N 0.05389546 0.00234315 . . 128 179 ARG N 0.04650607 0.00297396 . . 129 180 ALA N 0.0473702 0.00100579 . . 130 181 CYS N 0.04872993 0.00131848 . . 131 182 HIS N 0.04912901 0.00177774 . . 132 183 ILE N 0.05169454 0.00130084 . . 133 184 LEU N 0.05193119 0.00170182 . . 134 185 GLU N 0.05035513 0.00366258 . . 135 186 CYS N 0.0442 0.00567664 . . 136 188 GLU N 0.04268613 0.00510894 . . 137 189 GLY N 0.04716643 0.00595653 . . 138 190 LEU N 0.05480624 0.00244461 . . 139 191 ALA N 0.0435504 0.00650886 . . 140 192 GLN N 0.03906919 0.00550135 . . 141 193 ASP N 0.04227983 0.00312858 . . 142 194 VAL N 0.03864065 0.00570081 . . 143 195 ILE N 0.02585076 0.00366912 . . 144 196 SER N 0.03906068 0.00810723 . . 145 199 GLY N 0.04065502 0.00652187 . . 146 201 ALA N 0.03422217 0.00252115 . . 147 202 PHE N 0.04522828 0.00168618 . . 148 204 LEU N 0.01272766 0.00274489 . . 149 205 ARG N 0.04266612 0.00146749 . . 150 206 PHE N 0.02796723 0.00473092 . . 151 208 GLN N 0.05946201 0.00873816 . . 152 209 TYR N 0.05215649 0.00362756 . . 153 210 LEU N 0.06638687 0.00660681 . . 154 211 ARG N 0.12862708 0.00525811 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $CCPN-Analysis stop_ loop_ _Experiment_label '2D 1H-15N Het NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599.709 _Mol_system_component_name 'Shc PTB domain' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 1.15 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 22 GLN 0.470295652 . 23 LEU -0.143852174 . 24 GLY -0.172843478 . 25 GLY -0.138382609 . 26 GLU 0.192921739 . 27 GLU 0.203591304 . 28 TRP 0.330495652 . 32 GLY 0.548808696 . 33 SER 0.61613913 . 34 PHE 0.717130435 . 40 ARG 0.112434783 . 41 GLY 0.279973913 . 42 TRP 0.544269565 . 43 LEU 0.641869565 . 44 HIS 0.681069565 . 46 ASN 0.775721739 . 47 ASP 0.76113913 . 48 LYS 0.755913043 . 49 VAL 0.755617391 . 50 MET 0.826086957 . 51 GLY 0.638026087 . 53 GLY 0.744704348 . 54 VAL 0.831104348 . 55 SER 0.80346087 . 56 TYR 0.900086957 . 57 LEU 0.748043478 . 58 VAL 0.616286957 . 59 ARG 0.769878261 . 60 TYR 0.790086957 . 61 MET 1.022426087 . 62 GLY 0.8258 . 63 CYS 0.606391304 . 64 VAL 0.825286957 . 65 GLU 0.715547826 . 66 VAL 0.802217391 . 67 LEU 0.79386087 . 68 GLN 0.653556522 . 71 ARG 0.646478261 . 72 ALA 0.726295652 . 73 LEU 0.686582609 . 74 ASP 0.895130435 . 76 ASN 0.707356522 . 77 THR 0.797391304 . 78 ARG 0.717608696 . 80 GLN 0.712756522 . 81 VAL 0.594208696 . 82 THR 0.653295652 . 83 ARG 0.5806 . 84 GLU 0.580452174 . 85 ALA 0.625834783 . 86 ILE 0.6756 . 87 SER 0.66226087 . 88 LEU 0.567147826 . 89 VAL 0.731826087 . 90 CYS 0.69893913 . 91 GLU 0.789330435 . 92 ALA 0.672043478 . 93 VAL 0.767095652 . 95 GLY 0.645913043 . 96 ALA 0.647269565 . 97 LYS 0.6042 . 98 GLY 0.559191304 . 99 ALA 0.510286957 . 100 THR 0.590347826 . 101 ARG 0.2838 . 102 ARG 0.494973913 . 103 ARG 0.370747826 . 104 LYS 0.384982609 . 106 CYS 0.487704348 . 108 ARG 0.334713043 . 110 LEU 0.481486957 . 111 SER 0.814469565 . 112 SER 0.870443478 . 113 ILE 0.702704348 . 114 LEU 0.800904348 . 115 GLY 0.803078261 . 116 ARG 0.67226087 . 117 SER 0.813930435 . 118 ASN 0.688182609 . 119 LEU 0.80106087 . 120 LYS 0.58273913 . 121 PHE 0.625686957 . 122 ALA 0.653 . 124 MET 0.46946087 . 126 ILE 0.940078261 . 127 THR 0.733347826 . 128 LEU 0.9072 . 129 THR 0.875130435 . 130 VAL 0.799286957 . 131 SER 0.615 . 132 THR 0.875565217 . 134 SER 0.84893913 . 135 LEU 0.71293913 . 136 ASN 0.634834783 . 137 LEU 0.971217391 . 139 ALA 0.642330435 . 140 ALA 0.624913043 . 141 ASP 0.532156522 . 142 CYS 0.6408 . 143 LYS 0.705104348 . 145 ILE 0.74706087 . 146 ILE 0.779521739 . 148 ASN 0.846008696 . 149 HIS 0.799904348 . 150 HIS 0.763121739 . 152 GLN 0.734382609 . 153 SER 0.794547826 . 154 ILE 0.747686957 . 155 SER 0.815156522 . 157 ALA 0.766947826 . 158 SER 0.636504348 . 160 GLY 0.592826087 . 161 ASP 0.742478261 . 163 ASP 0.70793913 . 164 THR 0.648426087 . 165 ALA 0.617721739 . 167 TYR 0.9568 . 168 VAL 0.686530435 . 169 ALA 0.717191304 . 170 TYR 0.810434783 . 171 VAL 0.597826087 . 172 ALA 0.865591304 . 173 LYS 0.692834783 . 174 ASP 0.998817391 . 176 VAL 0.648434783 . 177 ASN 0.810330435 . 178 GLN 0.756286957 . 179 ARG 0.712756522 . 180 ALA 0.820678261 . 181 CYS 0.790547826 . 182 HIS 0.89813913 . 183 ILE 0.73326087 . 184 LEU 0.76393913 . 185 GLU 0.787 . 186 CYS 0.733104348 . 188 GLU 0.6012 . 189 GLY 0.587130435 . 190 LEU 0.646991304 . 191 ALA 0.6576 . 192 GLN 0.584426087 . 193 ASP 0.683834783 . 194 VAL 0.6608 . 195 ILE 0.744982609 . 196 SER 0.463573913 . 199 GLY 0.642052174 . 201 ALA 0.894947826 . 202 PHE 0.71986087 . 204 LEU 0.889591304 . 205 ARG 0.789678261 . 206 PHE 0.618121739 . 208 GLN 0.330495652 . 209 TYR 0.565078261 . 210 LEU 0.374721739 . 211 ARG -0.077886957 . stop_ save_