data_27268 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shifts for the complex between WASp interacting protein (WIP) and the EVH1 domain of WASp ; _BMRB_accession_number 27268 _BMRB_flat_file_name bmr27268.str _Entry_type original _Submission_date 2017-10-01 _Accession_date 2017-10-01 _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 Halle-Bikovski Adi . . 2 Shaked Hadassa . . 3 Chill Jordan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 539 "13C chemical shifts" 526 "15N chemical shifts" 167 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-28 update BMRB 'update entry citation' 2017-12-14 original author 'original release' stop_ _Original_release_date 2017-10-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; New Structural Insights into Formation of the Key Actin Regulating WIP-WASp Complex Determined by NMR and Molecular Imaging ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29215267 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Halle-Bikovski Adi . . 2 Fried Sophia . . 3 Rozentur-Shkop Eva . . 4 Biber Guy . . 5 Shaked Hadassa . . 6 Joseph Noah . . 7 Baarda-Saad Mira . . 8 Chill Jordan . . stop_ _Journal_abbreviation 'ACS Chem. Biol.' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 100 _Page_last 109 _Year 2018 _Details . loop_ _Keyword 'EVH1 domain' IDP 'Structural Biology' WASp WIP stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'WIP-WASp complex' _Enzyme_commission_number N/A loop_ _Mol_system_component_name _Mol_label WIP $WIP(442-492) WASp $WASp(20-158) 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_WIP(442-492) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common WIP(442-492) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 51 _Mol_residue_sequence ; QDSPCEDEWESRFYFHPISD LPPPEPYVQTTKSYPSKLAR NESRSGSNRRE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 442 GLN 2 443 ASP 3 444 SER 4 445 PRO 5 446 CYS 6 447 GLU 7 448 ASP 8 449 GLU 9 450 TRP 10 451 GLU 11 452 SER 12 453 ARG 13 454 PHE 14 455 TYR 15 456 PHE 16 457 HIS 17 458 PRO 18 459 ILE 19 460 SER 20 461 ASP 21 462 LEU 22 463 PRO 23 464 PRO 24 465 PRO 25 466 GLU 26 467 PRO 27 468 TYR 28 469 VAL 29 470 GLN 30 471 THR 31 472 THR 32 473 LYS 33 474 SER 34 475 TYR 35 476 PRO 36 477 SER 37 478 LYS 38 479 LEU 39 480 ALA 40 481 ARG 41 482 ASN 42 483 GLU 43 484 SER 44 485 ARG 45 486 SER 46 487 GLY 47 488 SER 48 489 ASN 49 490 ARG 50 491 ARG 51 492 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_WASp(20-158) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common WASp(20-158) _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 139 _Mol_residue_sequence ; QNIPSTLLQDHENQRLFEML GRKCLTLATAVVQLYLALPP GAEHWTKEHCGAVCFVKDNP QKSYFIRLYGLQAGRLLWEQ ELYSQLVYSTPTPFFHTFAG DDCQAGLNFADEDEAQAFRA LVQEKIQKRNQRQSGDRRQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 20 GLN 2 21 ASN 3 22 ILE 4 23 PRO 5 24 SER 6 25 THR 7 26 LEU 8 27 LEU 9 28 GLN 10 29 ASP 11 30 HIS 12 31 GLU 13 32 ASN 14 33 GLN 15 34 ARG 16 35 LEU 17 36 PHE 18 37 GLU 19 38 MET 20 39 LEU 21 40 GLY 22 41 ARG 23 42 LYS 24 43 CYS 25 44 LEU 26 45 THR 27 46 LEU 28 47 ALA 29 48 THR 30 49 ALA 31 50 VAL 32 51 VAL 33 52 GLN 34 53 LEU 35 54 TYR 36 55 LEU 37 56 ALA 38 57 LEU 39 58 PRO 40 59 PRO 41 60 GLY 42 61 ALA 43 62 GLU 44 63 HIS 45 64 TRP 46 65 THR 47 66 LYS 48 67 GLU 49 68 HIS 50 69 CYS 51 70 GLY 52 71 ALA 53 72 VAL 54 73 CYS 55 74 PHE 56 75 VAL 57 76 LYS 58 77 ASP 59 78 ASN 60 79 PRO 61 80 GLN 62 81 LYS 63 82 SER 64 83 TYR 65 84 PHE 66 85 ILE 67 86 ARG 68 87 LEU 69 88 TYR 70 89 GLY 71 90 LEU 72 91 GLN 73 92 ALA 74 93 GLY 75 94 ARG 76 95 LEU 77 96 LEU 78 97 TRP 79 98 GLU 80 99 GLN 81 100 GLU 82 101 LEU 83 102 TYR 84 103 SER 85 104 GLN 86 105 LEU 87 106 VAL 88 107 TYR 89 108 SER 90 109 THR 91 110 PRO 92 111 THR 93 112 PRO 94 113 PHE 95 114 PHE 96 115 HIS 97 116 THR 98 117 PHE 99 118 ALA 100 119 GLY 101 120 ASP 102 121 ASP 103 122 CYS 104 123 GLN 105 124 ALA 106 125 GLY 107 126 LEU 108 127 ASN 109 128 PHE 110 129 ALA 111 130 ASP 112 131 GLU 113 132 ASP 114 133 GLU 115 134 ALA 116 135 GLN 117 136 ALA 118 137 PHE 119 138 ARG 120 139 ALA 121 140 LEU 122 141 VAL 123 142 GLN 124 143 GLU 125 144 LYS 126 145 ILE 127 146 GLN 128 147 LYS 129 148 ARG 130 149 ASN 131 150 GLN 132 151 ARG 133 152 GLN 134 153 SER 135 154 GLY 136 155 ASP 137 156 ARG 138 157 ARG 139 158 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $WIP(442-492) Human 9606 Eukaryota Metazoa Homo sapiens $WASp(20-158) Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $WIP(442-492) 'recombinant technology' . Escherichia coli . pET28a $WASp(20-158) 'recombinant technology' . Escherichia coli . pET28a 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 $WIP(442-492) 0.5 mM '[U-98% 13C; U-98% 15N]' $WASp(20-158) 0.5 mM '[U-98% 13C; U-98% 15N]' D2O 7 % '[U-99% 2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 6.8 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' 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 WIP _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 1 442 1 GLN H H 8.20 0.01 . 2 442 1 GLN HA H 4.38 0.01 . 3 442 1 GLN HB2 H 2.11 0.01 . 4 442 1 GLN HB3 H 1.97 0.01 . 5 442 1 GLN C C 175.6 0.1 . 6 442 1 GLN CA C 55.5 0.1 . 7 442 1 GLN CB C 29.4 0.1 . 8 442 1 GLN N N 119.3 0.1 . 9 443 2 ASP H H 8.42 0.01 . 10 443 2 ASP HA H 4.64 0.01 . 11 443 2 ASP HB2 H 2.67 0.01 . 12 443 2 ASP HB3 H 2.67 0.01 . 13 443 2 ASP C C 175.8 0.1 . 14 443 2 ASP CA C 54.4 0.1 . 15 443 2 ASP CB C 41.2 0.1 . 16 443 2 ASP N N 121.1 0.1 . 17 444 3 SER H H 8.20 0.01 . 18 444 3 SER CA C 56.5 0.1 . 19 444 3 SER CB C 63.8 0.1 . 20 444 3 SER N N 116.5 0.1 . 21 445 4 PRO HA H 4.50 0.01 . 22 445 4 PRO HB2 H 2.30 0.01 . 23 445 4 PRO HB3 H 1.96 0.01 . 24 445 4 PRO C C 176.9 0.1 . 25 445 4 PRO CA C 63.5 0.1 . 26 445 4 PRO CB C 31.7 0.1 . 27 446 5 CYS H H 8.46 0.01 . 28 446 5 CYS HA H 4.52 0.01 . 29 446 5 CYS HB2 H 3.00 0.01 . 30 446 5 CYS HB3 H 3.00 0.01 . 31 446 5 CYS C C 175.0 0.1 . 32 446 5 CYS CA C 58.6 0.1 . 33 446 5 CYS CB C 27.7 0.1 . 34 446 5 CYS N N 119.3 0.1 . 35 447 6 GLU H H 8.65 0.01 . 36 447 6 GLU C C 176.5 0.1 . 37 447 6 GLU CA C 57.4 0.1 . 38 447 6 GLU CB C 30.0 0.1 . 39 447 6 GLU N N 123.7 0.1 . 40 448 7 ASP H H 8.36 0.01 . 41 448 7 ASP HA H 4.64 0.01 . 42 448 7 ASP HB2 H 2.73 0.01 . 43 448 7 ASP HB3 H 2.73 0.01 . 44 448 7 ASP C C 177.2 0.1 . 45 448 7 ASP CA C 55.0 0.1 . 46 448 7 ASP CB C 41.5 0.1 . 47 448 7 ASP N N 120.9 0.1 . 48 449 8 GLU H H 8.55 0.01 . 49 449 8 GLU HA H 4.20 0.01 . 50 449 8 GLU HB2 H 2.16 0.01 . 51 449 8 GLU HB3 H 2.16 0.01 . 52 449 8 GLU C C 178.1 0.1 . 53 449 8 GLU CA C 58.3 0.1 . 54 449 8 GLU CB C 29.0 0.1 . 55 449 8 GLU N N 122.8 0.1 . 56 450 9 TRP H H 8.60 0.01 . 57 450 9 TRP HA H 4.30 0.01 . 58 450 9 TRP HB2 H 3.63 0.01 . 59 450 9 TRP HB3 H 3.63 0.01 . 60 450 9 TRP C C 177.2 0.1 . 61 450 9 TRP CA C 61.9 0.1 . 62 450 9 TRP CB C 29.7 0.1 . 63 450 9 TRP N N 123.7 0.1 . 64 451 10 GLU H H 8.55 0.01 . 65 451 10 GLU HA H 4.24 0.01 . 66 451 10 GLU HB2 H 2.30 0.01 . 67 451 10 GLU HB3 H 2.30 0.01 . 68 451 10 GLU C C 177.7 0.1 . 69 451 10 GLU CA C 59.6 0.1 . 70 451 10 GLU CB C 30.1 0.1 . 71 451 10 GLU N N 116.9 0.1 . 72 452 11 SER H H 7.72 0.01 . 73 452 11 SER HA H 4.45 0.01 . 74 452 11 SER HB2 H 4.00 0.01 . 75 452 11 SER HB3 H 4.00 0.01 . 76 452 11 SER C C 174.5 0.1 . 77 452 11 SER CA C 59.8 0.1 . 78 452 11 SER CB C 63.8 0.1 . 79 452 11 SER N N 110.4 0.1 . 80 453 12 ARG H H 7.34 0.01 . 81 453 12 ARG HA H 3.76 0.01 . 82 453 12 ARG HB2 H 0.89 0.01 . 83 453 12 ARG HB3 H 0.89 0.01 . 84 453 12 ARG C C 175.4 0.1 . 85 453 12 ARG CA C 57.4 0.1 . 86 453 12 ARG CB C 30.8 0.1 . 87 453 12 ARG N N 121.1 0.1 . 88 454 13 PHE H H 7.38 0.01 . 89 454 13 PHE HA H 4.38 0.01 . 90 454 13 PHE C C 173.4 0.1 . 91 454 13 PHE CA C 55.4 0.1 . 92 454 13 PHE CB C 41.1 0.1 . 93 454 13 PHE N N 116.9 0.1 . 94 455 14 TYR H H 8.42 0.01 . 95 455 14 TYR HA H 4.50 0.01 . 96 455 14 TYR HB2 H 2.75 0.01 . 97 455 14 TYR HB3 H 2.75 0.01 . 98 455 14 TYR C C 173.3 0.1 . 99 455 14 TYR CA C 57.3 0.1 . 100 455 14 TYR CB C 38.9 0.1 . 101 455 14 TYR N N 121.1 0.1 . 102 456 15 PHE H H 7.32 0.01 . 103 456 15 PHE HA H 4.34 0.01 . 104 456 15 PHE C C 175.2 0.1 . 105 456 15 PHE CA C 55.6 0.1 . 106 456 15 PHE CB C 41.5 0.1 . 107 456 15 PHE N N 121.7 0.1 . 108 457 16 HIS H H 9.51 0.01 . 109 457 16 HIS CA C 55.4 0.1 . 110 457 16 HIS CB C 26.8 0.1 . 111 457 16 HIS N N 120.6 0.1 . 112 458 17 PRO HA H 4.56 0.01 . 113 458 17 PRO HB2 H 2.31 0.01 . 114 458 17 PRO HB3 H 2.24 0.01 . 115 458 17 PRO C C 177.0 0.1 . 116 458 17 PRO CA C 61.7 0.1 . 117 458 17 PRO CB C 33.4 0.1 . 118 459 18 ILE H H 8.54 0.01 . 119 459 18 ILE HA H 3.62 0.01 . 120 459 18 ILE HB H 1.94 0.01 . 121 459 18 ILE C C 177.0 0.1 . 122 459 18 ILE CA C 63.8 0.1 . 123 459 18 ILE CB C 38.5 0.1 . 124 459 18 ILE N N 118.9 0.1 . 125 460 19 SER H H 7.50 0.01 . 126 460 19 SER HA H 4.24 0.01 . 127 460 19 SER HB2 H 4.08 0.01 . 128 460 19 SER HB3 H 3.86 0.01 . 129 460 19 SER C C 175.3 0.1 . 130 460 19 SER CA C 59.8 0.1 . 131 460 19 SER CB C 62.7 0.1 . 132 460 19 SER N N 113.4 0.1 . 133 461 20 ASP H H 7.98 0.01 . 134 461 20 ASP HA H 4.82 0.01 . 135 461 20 ASP HB2 H 3.00 0.01 . 136 461 20 ASP HB3 H 2.84 0.01 . 137 461 20 ASP C C 175.7 0.1 . 138 461 20 ASP CA C 54.2 0.1 . 139 461 20 ASP CB C 41.9 0.1 . 140 461 20 ASP N N 121.3 0.1 . 141 462 21 LEU H H 7.43 0.01 . 142 462 21 LEU CA C 51.9 0.1 . 143 462 21 LEU CB C 37.3 0.1 . 144 462 21 LEU N N 120.2 0.1 . 145 465 24 PRO HA H 4.17 0.01 . 146 465 24 PRO HB2 H 2.16 0.01 . 147 465 24 PRO HB3 H 2.16 0.01 . 148 465 24 PRO C C 177.0 0.1 . 149 465 24 PRO CA C 61.7 0.1 . 150 465 24 PRO CB C 30.0 0.1 . 151 466 25 GLU H H 8.58 0.01 . 152 466 25 GLU CA C 54.8 0.1 . 153 466 25 GLU CB C 28.6 0.1 . 154 466 25 GLU N N 123.3 0.1 . 155 467 26 PRO HA H 4.32 0.01 . 156 467 26 PRO HB2 H 2.27 0.01 . 157 467 26 PRO HB3 H 1.73 0.01 . 158 467 26 PRO C C 176.1 0.1 . 159 467 26 PRO CA C 63.3 0.1 . 160 467 26 PRO CB C 31.7 0.1 . 161 468 27 TYR H H 7.84 0.01 . 162 468 27 TYR HA H 4.68 0.01 . 163 468 27 TYR HB2 H 2.96 0.01 . 164 468 27 TYR HB3 H 2.75 0.01 . 165 468 27 TYR C C 174.0 0.1 . 166 468 27 TYR CA C 57.7 0.1 . 167 468 27 TYR CB C 42.0 0.1 . 168 468 27 TYR N N 124.6 0.1 . 169 469 28 VAL H H 7.73 0.01 . 170 469 28 VAL HA H 4.07 0.01 . 171 469 28 VAL HB H 1.82 0.01 . 172 469 28 VAL C C 174.2 0.1 . 173 469 28 VAL CA C 60.2 0.1 . 174 469 28 VAL CB C 34.5 0.1 . 175 469 28 VAL N N 127.4 0.1 . 176 470 29 GLN H H 8.47 0.01 . 177 470 29 GLN HA H 4.10 0.01 . 178 470 29 GLN HB2 H 2.03 0.01 . 179 470 29 GLN HB3 H 2.03 0.01 . 180 470 29 GLN C C 175.5 0.1 . 181 470 29 GLN CA C 56.3 0.1 . 182 470 29 GLN CB C 28.5 0.1 . 183 470 29 GLN N N 125.2 0.1 . 184 471 30 THR H H 7.79 0.01 . 185 471 30 THR HA H 4.14 0.01 . 186 471 30 THR C C 174.2 0.1 . 187 471 30 THR CA C 60.5 0.1 . 188 471 30 THR CB C 72.2 0.1 . 189 471 30 THR N N 116.7 0.1 . 190 472 31 THR H H 8.42 0.01 . 191 472 31 THR HA H 4.56 0.01 . 192 472 31 THR C C 174.0 0.1 . 193 472 31 THR CA C 63.7 0.1 . 194 472 31 THR CB C 69.3 0.1 . 195 472 31 THR N N 119.1 0.1 . 196 473 32 LYS H H 8.40 0.01 . 197 473 32 LYS HA H 4.31 0.01 . 198 473 32 LYS C C 175.0 0.1 . 199 473 32 LYS CA C 55.5 0.1 . 200 473 32 LYS CB C 35.6 0.1 . 201 473 32 LYS N N 127.4 0.1 . 202 474 33 SER H H 9.13 0.01 . 203 474 33 SER HA H 4.85 0.01 . 204 474 33 SER HB2 H 3.86 0.01 . 205 474 33 SER HB3 H 3.86 0.01 . 206 474 33 SER C C 172.9 0.1 . 207 474 33 SER CA C 56.6 0.1 . 208 474 33 SER CB C 63.5 0.1 . 209 474 33 SER N N 117.8 0.1 . 210 475 34 TYR H H 8.94 0.01 . 211 475 34 TYR CA C 56.2 0.1 . 212 475 34 TYR CB C 38.6 0.1 . 213 475 34 TYR N N 125.9 0.1 . 214 476 35 PRO HA H 4.29 0.01 . 215 476 35 PRO HB2 H 2.20 0.01 . 216 476 35 PRO HB3 H 2.20 0.01 . 217 476 35 PRO C C 178.7 0.1 . 218 476 35 PRO CA C 65.9 0.1 . 219 476 35 PRO CB C 32.1 0.1 . 220 477 36 SER H H 10.00 0.01 . 221 477 36 SER HA H 4.43 0.01 . 222 477 36 SER C C 176.7 0.1 . 223 477 36 SER CA C 60.5 0.1 . 224 477 36 SER CB C 62.2 0.1 . 225 477 36 SER N N 113.6 0.1 . 226 478 37 LYS H H 7.67 0.01 . 227 478 37 LYS HA H 4.36 0.01 . 228 478 37 LYS HB2 H 2.08 0.01 . 229 478 37 LYS HB3 H 2.08 0.01 . 230 478 37 LYS C C 178.1 0.1 . 231 478 37 LYS CA C 57.0 0.1 . 232 478 37 LYS CB C 32.6 0.1 . 233 478 37 LYS N N 122.2 0.1 . 234 479 38 LEU H H 7.76 0.01 . 235 479 38 LEU HA H 4.30 0.01 . 236 479 38 LEU HB2 H 1.74 0.01 . 237 479 38 LEU HB3 H 1.74 0.01 . 238 479 38 LEU C C 178.2 0.1 . 239 479 38 LEU CA C 56.6 0.1 . 240 479 38 LEU CB C 42.1 0.1 . 241 479 38 LEU N N 120.6 0.1 . 242 480 39 ALA H H 8.01 0.01 . 243 480 39 ALA HA H 4.30 0.01 . 244 480 39 ALA HB H 1.45 0.01 . 245 480 39 ALA C C 178.2 0.1 . 246 480 39 ALA CA C 53.2 0.1 . 247 480 39 ALA CB C 18.4 0.1 . 248 480 39 ALA N N 122.0 0.1 . 249 481 40 ARG H H 7.87 0.01 . 250 481 40 ARG HA H 4.38 0.01 . 251 481 40 ARG HB2 H 1.35 0.01 . 252 481 40 ARG HB3 H 1.35 0.01 . 253 481 40 ARG C C 175.0 0.1 . 254 481 40 ARG CA C 56.5 0.1 . 255 481 40 ARG CB C 30.9 0.1 . 256 481 40 ARG N N 118.5 0.1 . 257 482 41 ASN H H 6.96 0.01 . 258 482 41 ASN HA H 5.02 0.01 . 259 482 41 ASN HB2 H 2.88 0.01 . 260 482 41 ASN HB3 H 2.21 0.01 . 261 482 41 ASN C C 173.9 0.1 . 262 482 41 ASN CA C 54.7 0.1 . 263 482 41 ASN CB C 38.9 0.1 . 264 482 41 ASN N N 110.1 0.1 . 265 483 42 GLU H H 8.73 0.01 . 266 483 42 GLU HA H 4.40 0.01 . 267 483 42 GLU HB2 H 2.04 0.01 . 268 483 42 GLU HB3 H 2.04 0.01 . 269 483 42 GLU C C 176.7 0.1 . 270 483 42 GLU CA C 56.9 0.1 . 271 483 42 GLU CB C 30.1 0.1 . 272 483 42 GLU N N 120.0 0.1 . 273 484 43 SER H H 8.32 0.01 . 274 484 43 SER CA C 58.7 0.1 . 275 484 43 SER CB C 63.9 0.1 . 276 484 43 SER N N 116.5 0.1 . 277 486 45 SER HA H 4.47 0.01 . 278 486 45 SER HB2 H 3.91 0.01 . 279 486 45 SER HB3 H 3.91 0.01 . 280 486 45 SER C C 175.1 0.1 . 281 486 45 SER CA C 58.6 0.1 . 282 486 45 SER CB C 63.9 0.1 . 283 487 46 GLY H H 8.42 0.01 . 284 487 46 GLY HA2 H 4.04 0.01 . 285 487 46 GLY HA3 H 4.04 0.01 . 286 487 46 GLY C C 173.4 0.1 . 287 487 46 GLY CA C 45.5 0.1 . 288 487 46 GLY N N 110.6 0.1 . 289 488 47 SER H H 7.90 0.01 . 290 488 47 SER C C 174.9 0.1 . 291 488 47 SER CA C 60.1 0.1 . 292 488 47 SER CB C 65.0 0.1 . 293 488 47 SER N N 121.1 0.1 . 294 489 48 ASN HA H 4.31 0.01 . 295 489 48 ASN HB2 H 2.14 0.01 . 296 489 48 ASN HB3 H 2.14 0.01 . 297 489 48 ASN C C 174.9 0.1 . 298 489 48 ASN CA C 53.50 0.1 . 299 489 48 ASN CB C 38.80 0.1 . 300 490 49 ARG H H 8.19 0.01 . 301 490 49 ARG HA H 4.37 0.01 . 302 490 49 ARG HB2 H 1.82 0.01 . 303 490 49 ARG HB3 H 1.82 0.01 . 304 490 49 ARG C C 175.9 0.1 . 305 490 49 ARG CA C 56.3 0.1 . 306 490 49 ARG CB C 30.5 0.1 . 307 490 49 ARG N N 121.1 0.1 . 308 491 50 ARG H H 8.44 0.01 . 309 491 50 ARG HA H 4.38 0.01 . 310 491 50 ARG HB2 H 1.84 0.01 . 311 491 50 ARG HB3 H 1.84 0.01 . 312 491 50 ARG C C 175.2 0.1 . 313 491 50 ARG CA C 56.2 0.1 . 314 491 50 ARG CB C 30.7 0.1 . 315 491 50 ARG N N 123.3 0.1 . 316 492 51 GLU H H 8.01 0.01 . 317 492 51 GLU CA C 58.1 0.1 . 318 492 51 GLU CB C 30.8 0.1 . 319 492 51 GLU N N 127.0 0.1 . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' 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 WASp _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 20 1 GLN H H 7.79 0.01 . 2 20 1 GLN HA H 4.45 0.01 . 3 20 1 GLN HB2 H 2.02 0.01 . 4 20 1 GLN HB3 H 1.87 0.01 . 5 20 1 GLN C C 174.4 0.1 . 6 20 1 GLN CA C 54.2 0.1 . 7 20 1 GLN CB C 31.4 0.1 . 8 20 1 GLN N N 118.2 0.1 . 9 21 2 ASN H H 7.94 0.01 . 10 21 2 ASN HA H 4.71 0.01 . 11 21 2 ASN HB2 H 2.86 0.01 . 12 21 2 ASN HB3 H 2.86 0.01 . 13 21 2 ASN C C 175.5 0.1 . 14 21 2 ASN CA C 54.2 0.1 . 15 21 2 ASN CB C 38.8 0.1 . 16 21 2 ASN N N 119.3 0.1 . 17 22 3 ILE H H 8.35 0.01 . 18 22 3 ILE CA C 57.0 0.1 . 19 22 3 ILE CB C 41.3 0.1 . 20 22 3 ILE N N 121.1 0.1 . 21 23 4 PRO HA H 4.72 0.01 . 22 23 4 PRO HB2 H 2.10 0.01 . 23 23 4 PRO HB3 H 2.10 0.01 . 24 23 4 PRO C C 177.7 0.1 . 25 23 4 PRO CA C 62.2 0.1 . 26 23 4 PRO CB C 33.1 0.1 . 27 24 5 SER H H 8.70 0.01 . 28 24 5 SER HA H 5.00 0.01 . 29 24 5 SER HB2 H 3.52 0.01 . 30 24 5 SER HB3 H 3.52 0.01 . 31 24 5 SER C C 178.1 0.1 . 32 24 5 SER CA C 57.4 0.1 . 33 24 5 SER CB C 64.3 0.1 . 34 24 5 SER N N 113.0 0.1 . 35 25 6 THR H H 9.50 0.01 . 36 25 6 THR HA H 4.45 0.01 . 37 25 6 THR HB H 3.00 0.01 . 38 25 6 THR C C 175.0 0.1 . 39 25 6 THR CA C 63.9 0.1 . 40 25 6 THR CB C 69.0 0.1 . 41 25 6 THR N N 123.0 0.1 . 42 26 7 LEU H H 8.06 0.01 . 43 26 7 LEU HA H 4.27 0.01 . 44 26 7 LEU HB2 H 1.55 0.01 . 45 26 7 LEU HB3 H 1.55 0.01 . 46 26 7 LEU C C 177.5 0.1 . 47 26 7 LEU CA C 56.1 0.1 . 48 26 7 LEU CB C 43.0 0.1 . 49 26 7 LEU N N 122.8 0.1 . 50 27 8 LEU H H 6.94 0.01 . 51 27 8 LEU HA H 4.50 0.01 . 52 27 8 LEU HB2 H 1.74 0.01 . 53 27 8 LEU HB3 H 1.55 0.01 . 54 27 8 LEU C C 176.7 0.1 . 55 27 8 LEU CA C 53.1 0.1 . 56 27 8 LEU CB C 42.4 0.1 . 57 27 8 LEU N N 117.8 0.1 . 58 28 9 GLN H H 9.29 0.01 . 59 28 9 GLN CA C 55.2 0.1 . 60 28 9 GLN CB C 29.9 0.1 . 61 28 9 GLN N N 118.2 0.1 . 62 30 11 HIS HA H 4.38 0.01 . 63 30 11 HIS HB2 H 3.15 0.01 . 64 30 11 HIS HB3 H 3.15 0.01 . 65 30 11 HIS C C 177.8 0.1 . 66 30 11 HIS CA C 58.7 0.1 . 67 30 11 HIS CB C 29.5 0.1 . 68 31 12 GLU H H 6.55 0.01 . 69 31 12 GLU HA H 3.91 0.01 . 70 31 12 GLU HB2 H 1.85 0.01 . 71 31 12 GLU HB3 H 1.85 0.01 . 72 31 12 GLU C C 177.4 0.1 . 73 31 12 GLU CA C 58.4 0.1 . 74 31 12 GLU CB C 30.8 0.1 . 75 31 12 GLU N N 121.5 0.1 . 76 32 13 ASN H H 7.75 0.01 . 77 32 13 ASN HA H 3.96 0.01 . 78 32 13 ASN HB2 H 2.48 0.01 . 79 32 13 ASN HB3 H 1.83 0.01 . 80 32 13 ASN C C 175.5 0.1 . 81 32 13 ASN CA C 57.0 0.1 . 82 32 13 ASN CB C 39.7 0.1 . 83 32 13 ASN N N 117.1 0.1 . 84 33 14 GLN H H 7.79 0.01 . 85 33 14 GLN HA H 3.89 0.01 . 86 33 14 GLN HB2 H 1.95 0.01 . 87 33 14 GLN HB3 H 1.95 0.01 . 88 33 14 GLN C C 178.8 0.1 . 89 33 14 GLN CA C 59.0 0.1 . 90 33 14 GLN CB C 27.5 0.1 . 91 33 14 GLN N N 114.3 0.1 . 92 34 15 ARG H H 7.60 0.01 . 93 34 15 ARG HA H 4.00 0.01 . 94 34 15 ARG HB2 H 1.90 0.01 . 95 34 15 ARG HB3 H 1.90 0.01 . 96 34 15 ARG C C 178.4 0.1 . 97 34 15 ARG CA C 59.0 0.1 . 98 34 15 ARG CB C 29.3 0.1 . 99 34 15 ARG N N 119.3 0.1 . 100 35 16 LEU H H 7.84 0.01 . 101 35 16 LEU C C 178.3 0.1 . 102 35 16 LEU CA C 57.7 0.1 . 103 35 16 LEU CB C 41.2 0.1 . 104 35 16 LEU N N 120.4 0.1 . 105 36 17 PHE H H 8.21 0.01 . 106 36 17 PHE C C 179.9 0.1 . 107 36 17 PHE CA C 56.4 0.1 . 108 36 17 PHE CB C 36.0 0.1 . 109 36 17 PHE N N 115.8 0.1 . 110 37 18 GLU H H 7.79 0.01 . 111 37 18 GLU C C 178.6 0.1 . 112 37 18 GLU CA C 58.6 0.1 . 113 37 18 GLU CB C 29.6 0.1 . 114 37 18 GLU N N 118.5 0.1 . 115 38 19 MET H H 7.76 0.01 . 116 38 19 MET HA H 4.17 0.01 . 117 38 19 MET C C 177.0 0.1 . 118 38 19 MET CA C 57.6 0.1 . 119 38 19 MET CB C 33.6 0.1 . 120 38 19 MET N N 117.8 0.1 . 121 39 20 LEU H H 7.23 0.01 . 122 39 20 LEU HA H 3.94 0.01 . 123 39 20 LEU C C 178.6 0.1 . 124 39 20 LEU CA C 57.0 0.1 . 125 39 20 LEU CB C 42.8 0.1 . 126 39 20 LEU N N 116.7 0.1 . 127 40 21 GLY H H 7.34 0.01 . 128 40 21 GLY HA2 H 3.75 0.01 . 129 40 21 GLY HA3 H 3.75 0.01 . 130 40 21 GLY C C 174.0 0.1 . 131 40 21 GLY CA C 43.7 0.1 . 132 40 21 GLY N N 107.4 0.1 . 133 41 22 ARG H H 8.22 0.01 . 134 41 22 ARG HA H 4.13 0.01 . 135 41 22 ARG HB2 H 1.80 0.01 . 136 41 22 ARG HB3 H 1.80 0.01 . 137 41 22 ARG C C 177.3 0.1 . 138 41 22 ARG CA C 57.1 0.1 . 139 41 22 ARG CB C 29.3 0.1 . 140 41 22 ARG N N 119.0 0.1 . 141 42 23 LYS H H 8.94 0.01 . 142 42 23 LYS HA H 4.10 0.01 . 143 42 23 LYS HB2 H 2.12 0.01 . 144 42 23 LYS HB3 H 1.88 0.01 . 145 42 23 LYS C C 174.6 0.1 . 146 42 23 LYS CA C 56.4 0.1 . 147 42 23 LYS CB C 29.3 0.1 . 148 42 23 LYS N N 117.0 0.1 . 149 43 24 CYS H H 7.17 0.01 . 150 43 24 CYS HA H 5.45 0.01 . 151 43 24 CYS C C 173.0 0.1 . 152 43 24 CYS CA C 58.0 0.1 . 153 43 24 CYS CB C 30.5 0.1 . 154 43 24 CYS N N 115.0 0.1 . 155 44 25 LEU H H 7.88 0.01 . 156 44 25 LEU HA H 5.22 0.01 . 157 44 25 LEU HB2 H 1.36 0.01 . 158 44 25 LEU HB3 H 1.36 0.01 . 159 44 25 LEU C C 176.6 0.1 . 160 44 25 LEU CA C 53.0 0.1 . 161 44 25 LEU CB C 46.8 0.1 . 162 44 25 LEU N N 121.3 0.1 . 163 45 26 THR H H 9.21 0.01 . 164 45 26 THR HA H 5.13 0.01 . 165 45 26 THR HB H 3.96 0.01 . 166 45 26 THR C C 173.6 0.1 . 167 45 26 THR CA C 58.1 0.1 . 168 45 26 THR CB C 70.0 0.1 . 169 45 26 THR N N 115.6 0.1 . 170 46 27 LEU H H 9.29 0.01 . 171 46 27 LEU HA H 4.44 0.01 . 172 46 27 LEU HB2 H 1.84 0.01 . 173 46 27 LEU HB3 H 1.84 0.01 . 174 46 27 LEU C C 177.0 0.1 . 175 46 27 LEU CA C 54.8 0.1 . 176 46 27 LEU CB C 43.1 0.1 . 177 46 27 LEU N N 127.6 0.1 . 178 47 28 ALA H H 7.94 0.01 . 179 47 28 ALA HA H 4.45 0.01 . 180 47 28 ALA HB H 1.43 0.01 . 181 47 28 ALA C C 174.7 0.1 . 182 47 28 ALA CA C 53.8 0.1 . 183 47 28 ALA CB C 21.5 0.1 . 184 47 28 ALA N N 118.9 0.1 . 185 48 29 THR H H 7.71 0.01 . 186 48 29 THR HA H 5.96 0.01 . 187 48 29 THR HB H 3.62 0.01 . 188 48 29 THR C C 174.1 0.1 . 189 48 29 THR CA C 61.3 0.1 . 190 48 29 THR CB C 72.1 0.1 . 191 48 29 THR N N 118.9 0.1 . 192 49 30 ALA H H 9.69 0.01 . 193 49 30 ALA HA H 5.31 0.01 . 194 49 30 ALA HB H 1.53 0.01 . 195 49 30 ALA C C 175.7 0.1 . 196 49 30 ALA CA C 50.2 0.1 . 197 49 30 ALA CB C 25.2 0.1 . 198 49 30 ALA N N 128.3 0.1 . 199 50 31 VAL H H 8.42 0.01 . 200 50 31 VAL HA H 4.50 0.01 . 201 50 31 VAL HB H 1.55 0.01 . 202 50 31 VAL C C 177.0 0.1 . 203 50 31 VAL CA C 64.3 0.1 . 204 50 31 VAL CB C 30.6 0.1 . 205 50 31 VAL N N 122.4 0.1 . 206 51 32 VAL H H 8.80 0.01 . 207 51 32 VAL HA H 5.67 0.01 . 208 51 32 VAL HB H 1.63 0.01 . 209 51 32 VAL C C 175.6 0.1 . 210 51 32 VAL CA C 59.7 0.1 . 211 51 32 VAL CB C 37.3 0.1 . 212 51 32 VAL N N 119.5 0.1 . 213 52 33 GLN H H 8.47 0.01 . 214 52 33 GLN C C 174.5 0.1 . 215 52 33 GLN CA C 54.3 0.1 . 216 52 33 GLN CB C 32.1 0.1 . 217 52 33 GLN N N 114.5 0.1 . 218 53 34 LEU H H 8.60 0.01 . 219 53 34 LEU HA H 4.79 0.01 . 220 53 34 LEU C C 174.1 0.1 . 221 53 34 LEU CA C 53.3 0.1 . 222 53 34 LEU CB C 45.4 0.1 . 223 53 34 LEU N N 122.8 0.1 . 224 54 35 TYR H H 9.40 0.01 . 225 54 35 TYR HA H 4.90 0.01 . 226 54 35 TYR HB2 H 1.90 0.01 . 227 54 35 TYR HB3 H 1.90 0.01 . 228 54 35 TYR C C 173.6 0.1 . 229 54 35 TYR CA C 56.4 0.1 . 230 54 35 TYR CB C 41.6 0.1 . 231 54 35 TYR N N 127.6 0.1 . 232 55 36 LEU H H 8.90 0.01 . 233 55 36 LEU HA H 5.40 0.01 . 234 55 36 LEU HB2 H 1.66 0.01 . 235 55 36 LEU HB3 H 1.66 0.01 . 236 55 36 LEU C C 176.4 0.1 . 237 55 36 LEU CA C 52.9 0.1 . 238 55 36 LEU CB C 44.8 0.1 . 239 55 36 LEU N N 118.2 0.1 . 240 56 37 ALA H H 8.38 0.01 . 241 56 37 ALA HA H 5.00 0.01 . 242 56 37 ALA HB H 0.75 0.01 . 243 56 37 ALA C C 174.4 0.1 . 244 56 37 ALA CA C 50.2 0.1 . 245 56 37 ALA CB C 18.0 0.1 . 246 56 37 ALA N N 127.9 0.1 . 247 57 38 LEU H H 7.56 0.01 . 248 57 38 LEU CA C 51.9 0.1 . 249 57 38 LEU CB C 45.1 0.1 . 250 57 38 LEU N N 123.9 0.1 . 251 59 40 PRO HA H 4.13 0.01 . 252 59 40 PRO C C 177.6 0.1 . 253 59 40 PRO CA C 65.0 0.1 . 254 59 40 PRO CB C 31.4 0.1 . 255 60 41 GLY H H 8.95 0.01 . 256 60 41 GLY HA2 H 4.50 0.01 . 257 60 41 GLY HA3 H 3.87 0.01 . 258 60 41 GLY C C 174.9 0.1 . 259 60 41 GLY CA C 45.2 0.1 . 260 60 41 GLY N N 112.5 0.1 . 261 61 42 ALA H H 8.12 0.01 . 262 61 42 ALA C C 177.0 0.1 . 263 61 42 ALA CA C 52.6 0.1 . 264 61 42 ALA CB C 19.9 0.1 . 265 61 42 ALA N N 122.6 0.1 . 266 62 43 GLU H H 8.50 0.01 . 267 62 43 GLU HA H 4.20 0.01 . 268 62 43 GLU HB2 H 1.82 0.01 . 269 62 43 GLU HB3 H 1.82 0.01 . 270 62 43 GLU C C 174.2 0.1 . 271 62 43 GLU CA C 55.5 0.1 . 272 62 43 GLU CB C 29.7 0.1 . 273 62 43 GLU N N 116.0 0.1 . 274 63 44 HIS H H 6.83 0.01 . 275 63 44 HIS HA H 4.67 0.01 . 276 63 44 HIS HB2 H 3.05 0.01 . 277 63 44 HIS HB3 H 3.05 0.01 . 278 63 44 HIS C C 174.0 0.1 . 279 63 44 HIS CA C 53.7 0.1 . 280 63 44 HIS CB C 33.6 0.1 . 281 63 44 HIS N N 114.1 0.1 . 282 64 45 TRP H H 8.92 0.01 . 283 64 45 TRP HA H 4.70 0.01 . 284 64 45 TRP HB2 H 3.37 0.01 . 285 64 45 TRP HB3 H 2.93 0.01 . 286 64 45 TRP C C 176.3 0.1 . 287 64 45 TRP CA C 56.4 0.1 . 288 64 45 TRP CB C 33.8 0.1 . 289 64 45 TRP N N 122.4 0.1 . 290 65 46 THR H H 8.87 0.01 . 291 65 46 THR HA H 4.57 0.01 . 292 65 46 THR HB H 4.24 0.01 . 293 65 46 THR C C 173.5 0.1 . 294 65 46 THR CA C 63.1 0.1 . 295 65 46 THR CB C 71.7 0.1 . 296 65 46 THR N N 116.5 0.1 . 297 66 47 LYS H H 9.17 0.01 . 298 66 47 LYS HA H 3.12 0.01 . 299 66 47 LYS C C 174.6 0.1 . 300 66 47 LYS CA C 57.9 0.1 . 301 66 47 LYS CB C 30.9 0.1 . 302 66 47 LYS N N 130.3 0.1 . 303 67 48 GLU H H 8.66 0.01 . 304 67 48 GLU C C 175.0 0.1 . 305 67 48 GLU CA C 56.7 0.1 . 306 67 48 GLU CB C 31.1 0.1 . 307 67 48 GLU N N 129.6 0.1 . 308 68 49 HIS HA H 4.04 0.01 . 309 68 49 HIS HB2 H 2.16 0.01 . 310 68 49 HIS HB3 H 2.16 0.01 . 311 68 49 HIS C C 178.6 0.1 . 312 68 49 HIS CA C 59.30 0.1 . 313 68 49 HIS CB C 29.10 0.1 . 314 69 50 CYS H H 7.67 0.01 . 315 69 50 CYS HA H 5.06 0.01 . 316 69 50 CYS HB2 H 2.83 0.01 . 317 69 50 CYS HB3 H 2.83 0.01 . 318 69 50 CYS C C 173.0 0.1 . 319 69 50 CYS CA C 56.8 0.1 . 320 69 50 CYS CB C 29.9 0.1 . 321 69 50 CYS N N 115.8 0.1 . 322 70 51 GLY H H 8.86 0.01 . 323 70 51 GLY HA2 H 4.52 0.01 . 324 70 51 GLY HA3 H 2.96 0.01 . 325 70 51 GLY C C 170.6 0.1 . 326 70 51 GLY CA C 46.7 0.1 . 327 70 51 GLY N N 111.5 0.1 . 328 71 52 ALA H H 8.64 0.01 . 329 71 52 ALA HA H 5.47 0.01 . 330 71 52 ALA HB H 1.33 0.01 . 331 71 52 ALA C C 175.4 0.1 . 332 71 52 ALA CA C 49.5 0.1 . 333 71 52 ALA CB C 20.7 0.1 . 334 71 52 ALA N N 123.5 0.1 . 335 72 53 VAL H H 10.17 0.01 . 336 72 53 VAL HA H 5.60 0.01 . 337 72 53 VAL HB H 1.84 0.01 . 338 72 53 VAL C C 172.4 0.1 . 339 72 53 VAL CA C 58.5 0.1 . 340 72 53 VAL CB C 34.1 0.1 . 341 72 53 VAL N N 125.9 0.1 . 342 73 54 CYS H H 9.47 0.01 . 343 73 54 CYS HA H 5.86 0.01 . 344 73 54 CYS HB2 H 3.40 0.01 . 345 73 54 CYS HB3 H 2.81 0.01 . 346 73 54 CYS C C 174.2 0.1 . 347 73 54 CYS CA C 57.7 0.1 . 348 73 54 CYS CB C 33.5 0.1 . 349 73 54 CYS N N 123.7 0.1 . 350 74 55 PHE H H 9.24 0.01 . 351 74 55 PHE HA H 5.30 0.01 . 352 74 55 PHE HB2 H 3.00 0.01 . 353 74 55 PHE HB3 H 2.44 0.01 . 354 74 55 PHE C C 173.3 0.1 . 355 74 55 PHE CA C 56.6 0.1 . 356 74 55 PHE CB C 38.3 0.1 . 357 74 55 PHE N N 127.0 0.1 . 358 75 56 VAL H H 9.43 0.01 . 359 75 56 VAL HA H 5.00 0.01 . 360 75 56 VAL HB H 2.14 0.01 . 361 75 56 VAL C C 176.3 0.1 . 362 75 56 VAL CA C 61.8 0.1 . 363 75 56 VAL CB C 35.5 0.1 . 364 75 56 VAL N N 126.3 0.1 . 365 76 57 LYS H H 8.96 0.01 . 366 76 57 LYS HA H 4.10 0.01 . 367 76 57 LYS HB2 H 2.03 0.01 . 368 76 57 LYS HB3 H 1.53 0.01 . 369 76 57 LYS C C 173.2 0.1 . 370 76 57 LYS CA C 55.8 0.1 . 371 76 57 LYS CB C 34.2 0.1 . 372 76 57 LYS N N 127.2 0.1 . 373 77 58 ASP H H 8.13 0.01 . 374 77 58 ASP HA H 5.24 0.01 . 375 77 58 ASP HB2 H 2.10 0.01 . 376 77 58 ASP HB3 H 2.10 0.01 . 377 77 58 ASP C C 175.5 0.1 . 378 77 58 ASP CA C 51.8 0.1 . 379 77 58 ASP CB C 42.9 0.1 . 380 77 58 ASP N N 130.9 0.1 . 381 78 59 ASN H H 7.56 0.01 . 382 78 59 ASN CA C 58.2 0.1 . 383 78 59 ASN CB C 36.8 0.1 . 384 78 59 ASN N N 121.1 0.1 . 385 79 60 PRO HA H 4.24 0.01 . 386 79 60 PRO HB2 H 2.33 0.01 . 387 79 60 PRO HB3 H 1.86 0.01 . 388 79 60 PRO C C 178.6 0.1 . 389 79 60 PRO CA C 66.3 0.1 . 390 79 60 PRO CB C 31.2 0.1 . 391 80 61 GLN H H 7.80 0.01 . 392 80 61 GLN HA H 4.25 0.01 . 393 80 61 GLN C C 173.4 0.1 . 394 80 61 GLN CA C 56.4 0.1 . 395 80 61 GLN CB C 29.8 0.1 . 396 80 61 GLN N N 111.5 0.1 . 397 81 62 LYS H H 7.94 0.01 . 398 81 62 LYS HA H 3.68 0.01 . 399 81 62 LYS HB2 H 1.90 0.01 . 400 81 62 LYS HB3 H 1.75 0.01 . 401 81 62 LYS C C 175.5 0.1 . 402 81 62 LYS CA C 56.4 0.1 . 403 81 62 LYS CB C 29.7 0.1 . 404 81 62 LYS N N 116.5 0.1 . 405 82 63 SER H H 7.43 0.01 . 406 82 63 SER HA H 4.42 0.01 . 407 82 63 SER HB2 H 3.54 0.01 . 408 82 63 SER HB3 H 3.54 0.01 . 409 82 63 SER C C 172.9 0.1 . 410 82 63 SER CA C 55.4 0.1 . 411 82 63 SER CB C 64.7 0.1 . 412 82 63 SER N N 107.1 0.1 . 413 83 64 TYR H H 8.08 0.01 . 414 83 64 TYR HA H 5.66 0.01 . 415 83 64 TYR HB2 H 2.58 0.01 . 416 83 64 TYR HB3 H 2.42 0.01 . 417 83 64 TYR C C 174.8 0.1 . 418 83 64 TYR CA C 56.2 0.1 . 419 83 64 TYR CB C 42.5 0.1 . 420 83 64 TYR N N 118.0 0.1 . 421 84 65 PHE H H 9.18 0.01 . 422 84 65 PHE HA H 5.00 0.01 . 423 84 65 PHE HB2 H 2.65 0.01 . 424 84 65 PHE HB3 H 2.51 0.01 . 425 84 65 PHE C C 173.9 0.1 . 426 84 65 PHE CA C 55.9 0.1 . 427 84 65 PHE CB C 45.0 0.1 . 428 84 65 PHE N N 117.1 0.1 . 429 85 66 ILE H H 9.36 0.01 . 430 85 66 ILE HA H 4.96 0.01 . 431 85 66 ILE HB H 2.10 0.01 . 432 85 66 ILE C C 175.3 0.1 . 433 85 66 ILE CA C 62.0 0.1 . 434 85 66 ILE CB C 39.0 0.1 . 435 85 66 ILE N N 123.7 0.1 . 436 86 67 ARG H H 9.31 0.01 . 437 86 67 ARG HA H 5.06 0.01 . 438 86 67 ARG HB2 H 1.63 0.01 . 439 86 67 ARG HB3 H 1.63 0.01 . 440 86 67 ARG C C 172.7 0.1 . 441 86 67 ARG CA C 56.0 0.1 . 442 86 67 ARG CB C 35.8 0.1 . 443 86 67 ARG N N 127.2 0.1 . 444 87 68 LEU H H 9.17 0.01 . 445 87 68 LEU HA H 5.20 0.01 . 446 87 68 LEU HB2 H 2.20 0.01 . 447 87 68 LEU HB3 H 2.20 0.01 . 448 87 68 LEU C C 174.0 0.1 . 449 87 68 LEU CA C 53.5 0.1 . 450 87 68 LEU CB C 46.5 0.1 . 451 87 68 LEU N N 125.5 0.1 . 452 88 69 TYR H H 9.65 0.01 . 453 88 69 TYR HA H 4.70 0.01 . 454 88 69 TYR HB2 H 2.74 0.01 . 455 88 69 TYR HB3 H 2.74 0.01 . 456 88 69 TYR C C 174.4 0.1 . 457 88 69 TYR CA C 58.4 0.1 . 458 88 69 TYR CB C 42.5 0.1 . 459 88 69 TYR N N 127.0 0.1 . 460 89 70 GLY H H 8.60 0.01 . 461 89 70 GLY HA2 H 4.00 0.01 . 462 89 70 GLY HA3 H 3.51 0.01 . 463 89 70 GLY C C 174.4 0.1 . 464 89 70 GLY CA C 45.6 0.1 . 465 89 70 GLY N N 108.2 0.1 . 466 90 71 LEU H H 8.39 0.01 . 467 90 71 LEU C C 178.5 0.1 . 468 90 71 LEU CA C 56.8 0.1 . 469 90 71 LEU CB C 39.3 0.1 . 470 90 71 LEU N N 127.5 0.1 . 471 91 72 GLN H H 8.17 0.01 . 472 91 72 GLN HA H 4.06 0.01 . 473 91 72 GLN HB2 H 2.66 0.01 . 474 91 72 GLN HB3 H 2.05 0.01 . 475 91 72 GLN C C 178.0 0.1 . 476 91 72 GLN CA C 58.7 0.1 . 477 91 72 GLN CB C 27.9 0.1 . 478 91 72 GLN N N 119.8 0.1 . 479 92 73 ALA H H 8.35 0.01 . 480 92 73 ALA HA H 4.17 0.01 . 481 92 73 ALA HB H 1.36 0.01 . 482 92 73 ALA C C 178.5 0.1 . 483 92 73 ALA CA C 53.0 0.1 . 484 92 73 ALA CB C 19.2 0.1 . 485 92 73 ALA N N 119.8 0.1 . 486 93 74 GLY H H 7.76 0.01 . 487 93 74 GLY C C 174.3 0.1 . 488 93 74 GLY CA C 46.8 0.1 . 489 93 74 GLY N N 106.4 0.1 . 490 94 75 ARG H H 7.49 0.01 . 491 94 75 ARG HA H 4.82 0.01 . 492 94 75 ARG HB2 H 1.85 0.01 . 493 94 75 ARG HB3 H 1.61 0.01 . 494 94 75 ARG C C 174.2 0.1 . 495 94 75 ARG CA C 54.3 0.1 . 496 94 75 ARG CB C 34.3 0.1 . 497 94 75 ARG N N 113.4 0.1 . 498 95 76 LEU H H 8.54 0.01 . 499 95 76 LEU HA H 3.76 0.01 . 500 95 76 LEU C C 175.9 0.1 . 501 95 76 LEU CA C 55.3 0.1 . 502 95 76 LEU CB C 41.5 0.1 . 503 95 76 LEU N N 122.6 0.1 . 504 96 77 LEU H H 9.25 0.01 . 505 96 77 LEU HA H 4.22 0.01 . 506 96 77 LEU HB2 H 1.05 0.01 . 507 96 77 LEU HB3 H 0.20 0.01 . 508 96 77 LEU C C 176.8 0.1 . 509 96 77 LEU CA C 55.2 0.1 . 510 96 77 LEU CB C 42.9 0.1 . 511 96 77 LEU N N 127.6 0.1 . 512 97 78 TRP H H 7.41 0.01 . 513 97 78 TRP HA H 4.55 0.01 . 514 97 78 TRP HB2 H 3.28 0.01 . 515 97 78 TRP HB3 H 2.64 0.01 . 516 97 78 TRP C C 172.4 0.1 . 517 97 78 TRP CA C 58.5 0.1 . 518 97 78 TRP CB C 31.6 0.1 . 519 97 78 TRP N N 117.8 0.1 . 520 98 79 GLU H H 7.68 0.01 . 521 98 79 GLU C C 172.3 0.1 . 522 98 79 GLU CA C 54.0 0.1 . 523 98 79 GLU CB C 35.4 0.1 . 524 98 79 GLU N N 125.0 0.1 . 525 99 80 GLN H H 8.75 0.01 . 526 99 80 GLN HA H 4.35 0.01 . 527 99 80 GLN C C 174.6 0.1 . 528 99 80 GLN CA C 53.6 0.1 . 529 99 80 GLN CB C 33.0 0.1 . 530 99 80 GLN N N 121.1 0.1 . 531 100 81 GLU H H 10.19 0.01 . 532 100 81 GLU HA H 3.86 0.01 . 533 100 81 GLU C C 176.7 0.1 . 534 100 81 GLU CA C 57.1 0.1 . 535 100 81 GLU CB C 29.2 0.1 . 536 100 81 GLU N N 131.6 0.1 . 537 101 82 LEU H H 8.32 0.01 . 538 101 82 LEU HA H 4.13 0.01 . 539 101 82 LEU HB2 H 2.00 0.01 . 540 101 82 LEU HB3 H 1.16 0.01 . 541 101 82 LEU C C 174.0 0.1 . 542 101 82 LEU CA C 54.7 0.1 . 543 101 82 LEU CB C 41.0 0.1 . 544 101 82 LEU N N 127.2 0.1 . 545 102 83 TYR H H 6.97 0.01 . 546 102 83 TYR HA H 4.70 0.01 . 547 102 83 TYR C C 176.4 0.1 . 548 102 83 TYR CA C 55.3 0.1 . 549 102 83 TYR CB C 37.5 0.1 . 550 102 83 TYR N N 124.1 0.1 . 551 103 84 SER H H 8.79 0.01 . 552 103 84 SER C C 175.0 0.1 . 553 103 84 SER CA C 62.5 0.1 . 554 103 84 SER N N 115.8 0.1 . 555 104 85 GLN H H 8.55 0.01 . 556 104 85 GLN HA H 4.25 0.01 . 557 104 85 GLN C C 174.8 0.1 . 558 104 85 GLN CA C 56.7 0.1 . 559 104 85 GLN CB C 26.5 0.1 . 560 104 85 GLN N N 116.0 0.1 . 561 105 86 LEU H H 6.75 0.01 . 562 105 86 LEU HA H 3.60 0.01 . 563 105 86 LEU C C 175.4 0.1 . 564 105 86 LEU CA C 58.9 0.1 . 565 105 86 LEU CB C 41.5 0.1 . 566 105 86 LEU N N 124.4 0.1 . 567 106 87 VAL H H 8.12 0.01 . 568 106 87 VAL HA H 4.22 0.01 . 569 106 87 VAL HB H 2.07 0.01 . 570 106 87 VAL C C 174.4 0.1 . 571 106 87 VAL CA C 62.2 0.1 . 572 106 87 VAL CB C 33.4 0.1 . 573 106 87 VAL N N 126.8 0.1 . 574 107 88 TYR H H 8.90 0.01 . 575 107 88 TYR HA H 4.82 0.01 . 576 107 88 TYR HB2 H 3.00 0.01 . 577 107 88 TYR HB3 H 2.21 0.01 . 578 107 88 TYR C C 174.8 0.1 . 579 107 88 TYR CA C 58.1 0.1 . 580 107 88 TYR CB C 40.7 0.1 . 581 107 88 TYR N N 130.0 0.1 . 582 108 89 SER H H 8.99 0.01 . 583 108 89 SER HA H 4.90 0.01 . 584 108 89 SER HB2 H 3.84 0.01 . 585 108 89 SER HB3 H 3.84 0.01 . 586 108 89 SER C C 173.1 0.1 . 587 108 89 SER CA C 57.9 0.1 . 588 108 89 SER CB C 64.8 0.1 . 589 108 89 SER N N 124.6 0.1 . 590 109 90 THR H H 8.70 0.01 . 591 109 90 THR CA C 55.2 0.1 . 592 109 90 THR CB C 70.2 0.1 . 593 109 90 THR N N 109.3 0.1 . 594 110 91 PRO HA H 4.40 0.01 . 595 110 91 PRO HB2 H 2.50 0.01 . 596 110 91 PRO HB3 H 2.04 0.01 . 597 110 91 PRO C C 177.4 0.1 . 598 110 91 PRO CA C 65.0 0.1 . 599 110 91 PRO CB C 32.4 0.1 . 600 111 92 THR H H 7.88 0.01 . 601 111 92 THR CA C 58.1 0.1 . 602 111 92 THR CB C 70.6 0.1 . 603 111 92 THR N N 107.1 0.1 . 604 112 93 PRO HA H 4.51 0.01 . 605 112 93 PRO HB2 H 2.50 0.01 . 606 112 93 PRO HB3 H 1.92 0.01 . 607 112 93 PRO C C 175.9 0.1 . 608 112 93 PRO CA C 64.5 0.1 . 609 112 93 PRO CB C 32.3 0.1 . 610 113 94 PHE H H 6.75 0.01 . 611 113 94 PHE HA H 4.79 0.01 . 612 113 94 PHE HB2 H 4.10 0.01 . 613 113 94 PHE HB3 H 2.84 0.01 . 614 113 94 PHE C C 171.9 0.1 . 615 113 94 PHE CA C 54.2 0.1 . 616 113 94 PHE CB C 40.2 0.1 . 617 113 94 PHE N N 107.1 0.1 . 618 114 95 PHE H H 7.06 0.01 . 619 114 95 PHE HA H 6.11 0.01 . 620 114 95 PHE HB2 H 2.62 0.01 . 621 114 95 PHE HB3 H 2.62 0.01 . 622 114 95 PHE C C 172.5 0.1 . 623 114 95 PHE CA C 56.7 0.1 . 624 114 95 PHE CB C 42.1 0.1 . 625 114 95 PHE N N 125.7 0.1 . 626 115 96 HIS H H 8.31 0.01 . 627 115 96 HIS HA H 5.52 0.01 . 628 115 96 HIS HB2 H 3.18 0.01 . 629 115 96 HIS HB3 H 2.97 0.01 . 630 115 96 HIS C C 174.5 0.1 . 631 115 96 HIS CA C 51.5 0.1 . 632 115 96 HIS CB C 35.1 0.1 . 633 115 96 HIS N N 125.2 0.1 . 634 116 97 THR H H 8.64 0.01 . 635 116 97 THR HA H 4.61 0.01 . 636 116 97 THR C C 172.0 0.1 . 637 116 97 THR CA C 58.9 0.1 . 638 116 97 THR CB C 72.5 0.1 . 639 116 97 THR N N 111.0 0.1 . 640 117 98 PHE H H 7.94 0.01 . 641 117 98 PHE HA H 5.00 0.01 . 642 117 98 PHE HB2 H 3.00 0.01 . 643 117 98 PHE HB3 H 3.00 0.01 . 644 117 98 PHE C C 172.8 0.1 . 645 117 98 PHE CA C 56.1 0.1 . 646 117 98 PHE CB C 40.8 0.1 . 647 117 98 PHE N N 115.0 0.1 . 648 118 99 ALA H H 9.39 0.01 . 649 118 99 ALA HA H 4.76 0.01 . 650 118 99 ALA HB H 1.77 0.01 . 651 118 99 ALA C C 178.3 0.1 . 652 118 99 ALA CA C 52.4 0.1 . 653 118 99 ALA CB C 18.4 0.1 . 654 118 99 ALA N N 122.8 0.1 . 655 119 100 GLY H H 8.81 0.01 . 656 119 100 GLY HA2 H 4.92 0.01 . 657 119 100 GLY HA3 H 4.59 0.01 . 658 119 100 GLY C C 174.2 0.1 . 659 119 100 GLY CA C 43.4 0.1 . 660 119 100 GLY N N 115.6 0.1 . 661 120 101 ASP H H 9.10 0.01 . 662 120 101 ASP HA H 4.41 0.01 . 663 120 101 ASP HB2 H 2.79 0.01 . 664 120 101 ASP HB3 H 2.79 0.01 . 665 120 101 ASP C C 176.5 0.1 . 666 120 101 ASP CA C 58.3 0.1 . 667 120 101 ASP CB C 42.0 0.1 . 668 120 101 ASP N N 119.8 0.1 . 669 121 102 ASP H H 8.77 0.01 . 670 121 102 ASP HA H 5.04 0.01 . 671 121 102 ASP HB2 H 2.63 0.01 . 672 121 102 ASP HB3 H 2.63 0.01 . 673 121 102 ASP C C 174.2 0.1 . 674 121 102 ASP CA C 54.4 0.1 . 675 121 102 ASP CB C 44.4 0.1 . 676 121 102 ASP N N 112.8 0.1 . 677 122 103 CYS H H 7.28 0.01 . 678 122 103 CYS CA C 55.6 0.1 . 679 122 103 CYS CB C 29.7 0.1 . 680 122 103 CYS N N 110.4 0.1 . 681 123 104 GLN HA H 4.67 0.01 . 682 123 104 GLN C C 174.4 0.1 . 683 123 104 GLN CA C 57.5 0.1 . 684 123 104 GLN CB C 28.2 0.1 . 685 124 105 ALA H H 9.11 0.01 . 686 124 105 ALA HA H 5.38 0.01 . 687 124 105 ALA HB H 0.90 0.01 . 688 124 105 ALA C C 175.5 0.1 . 689 124 105 ALA CA C 50.8 0.1 . 690 124 105 ALA CB C 23.5 0.1 . 691 124 105 ALA N N 129.2 0.1 . 692 125 106 GLY H H 8.83 0.01 . 693 125 106 GLY HA2 H 4.45 0.01 . 694 125 106 GLY HA3 H 2.33 0.01 . 695 125 106 GLY C C 170.8 0.1 . 696 125 106 GLY CA C 44.5 0.1 . 697 125 106 GLY N N 108.2 0.1 . 698 126 107 LEU H H 8.70 0.01 . 699 126 107 LEU HA H 4.74 0.01 . 700 126 107 LEU HB2 H 1.72 0.01 . 701 126 107 LEU HB3 H 1.72 0.01 . 702 126 107 LEU C C 172.6 0.1 . 703 126 107 LEU CA C 52.5 0.1 . 704 126 107 LEU CB C 45.6 0.1 . 705 126 107 LEU N N 123.3 0.1 . 706 127 108 ASN H H 9.01 0.01 . 707 127 108 ASN HA H 6.12 0.01 . 708 127 108 ASN HB2 H 2.56 0.01 . 709 127 108 ASN HB3 H 2.56 0.01 . 710 127 108 ASN C C 175.1 0.1 . 711 127 108 ASN CA C 51.0 0.1 . 712 127 108 ASN CB C 42.2 0.1 . 713 127 108 ASN N N 121.3 0.1 . 714 128 109 PHE H H 10.10 0.01 . 715 128 109 PHE HA H 4.74 0.01 . 716 128 109 PHE C C 177.0 0.1 . 717 128 109 PHE CA C 58.6 0.1 . 718 128 109 PHE CB C 39.7 0.1 . 719 128 109 PHE N N 124.4 0.1 . 720 129 110 ALA H H 7.79 0.01 . 721 129 110 ALA HA H 4.25 0.01 . 722 129 110 ALA HB H 0.83 0.01 . 723 129 110 ALA C C 177.4 0.1 . 724 129 110 ALA CA C 53.5 0.1 . 725 129 110 ALA CB C 18.0 0.1 . 726 129 110 ALA N N 126.3 0.1 . 727 130 111 ASP H H 9.57 0.01 . 728 130 111 ASP HA H 5.13 0.01 . 729 130 111 ASP HB2 H 2.81 0.01 . 730 130 111 ASP HB3 H 2.54 0.01 . 731 130 111 ASP C C 175.9 0.1 . 732 130 111 ASP CA C 53.5 0.1 . 733 130 111 ASP N N 120.0 0.1 . 734 131 112 GLU H H 9.18 0.01 . 735 131 112 GLU C C 178.9 0.1 . 736 131 112 GLU CA C 60.2 0.1 . 737 131 112 GLU CB C 29.5 0.1 . 738 131 112 GLU N N 125.9 0.1 . 739 132 113 ASP H H 8.40 0.01 . 740 132 113 ASP HA H 4.72 0.01 . 741 132 113 ASP HB2 H 3.16 0.01 . 742 132 113 ASP HB3 H 2.74 0.01 . 743 132 113 ASP C C 180.5 0.1 . 744 132 113 ASP CA C 58.2 0.1 . 745 132 113 ASP CB C 39.4 0.1 . 746 132 113 ASP N N 122.6 0.1 . 747 133 114 GLU H H 9.13 0.01 . 748 133 114 GLU HA H 4.28 0.01 . 749 133 114 GLU HB2 H 1.80 0.01 . 750 133 114 GLU HB3 H 1.80 0.01 . 751 133 114 GLU C C 180.5 0.1 . 752 133 114 GLU CA C 60.7 0.1 . 753 133 114 GLU CB C 29.9 0.1 . 754 133 114 GLU N N 123.5 0.1 . 755 134 115 ALA H H 8.10 0.01 . 756 134 115 ALA HA H 2.85 0.01 . 757 134 115 ALA HB H 0.87 0.01 . 758 134 115 ALA C C 179.6 0.1 . 759 134 115 ALA CA C 55.3 0.1 . 760 134 115 ALA CB C 18.4 0.1 . 761 134 115 ALA N N 122.2 0.1 . 762 135 116 GLN H H 8.05 0.01 . 763 135 116 GLN HA H 4.18 0.01 . 764 135 116 GLN HB2 H 2.30 0.01 . 765 135 116 GLN HB3 H 2.30 0.01 . 766 135 116 GLN C C 178.5 0.1 . 767 135 116 GLN CA C 58.8 0.1 . 768 135 116 GLN CB C 28.0 0.1 . 769 135 116 GLN N N 118.0 0.1 . 770 136 117 ALA H H 7.86 0.01 . 771 136 117 ALA HA H 4.21 0.01 . 772 136 117 ALA HB H 1.65 0.01 . 773 136 117 ALA C C 179.5 0.1 . 774 136 117 ALA CA C 54.8 0.1 . 775 136 117 ALA CB C 18.4 0.1 . 776 136 117 ALA N N 122.0 0.1 . 777 137 118 PHE H H 8.13 0.01 . 778 137 118 PHE CA C 62.5 0.1 . 779 137 118 PHE CB C 41.0 0.1 . 780 137 118 PHE N N 120.6 0.1 . 781 138 119 ARG HA H 4.54 0.01 . 782 138 119 ARG C C 177.3 0.1 . 783 138 119 ARG CA C 58.8 0.1 . 784 138 119 ARG CB C 29.4 0.1 . 785 139 120 ALA H H 8.03 0.01 . 786 139 120 ALA HA H 3.90 0.01 . 787 139 120 ALA HB H 1.45 0.01 . 788 139 120 ALA C C 180.4 0.1 . 789 139 120 ALA CA C 55.1 0.1 . 790 139 120 ALA CB C 17.9 0.1 . 791 139 120 ALA N N 119.3 0.1 . 792 140 121 LEU H H 7.11 0.01 . 793 140 121 LEU HA H 3.92 0.01 . 794 140 121 LEU HB2 H 1.50 0.01 . 795 140 121 LEU HB3 H 1.05 0.01 . 796 140 121 LEU C C 178.2 0.1 . 797 140 121 LEU CA C 55.7 0.1 . 798 140 121 LEU CB C 41.0 0.1 . 799 140 121 LEU N N 120.0 0.1 . 800 141 122 VAL H H 7.37 0.01 . 801 141 122 VAL HA H 2.45 0.01 . 802 141 122 VAL HB H 0.89 0.01 . 803 141 122 VAL C C 178.1 0.1 . 804 141 122 VAL CA C 66.6 0.1 . 805 141 122 VAL CB C 31.4 0.1 . 806 141 122 VAL N N 118.0 0.1 . 807 142 123 GLN H H 8.17 0.01 . 808 142 123 GLN HA H 3.66 0.01 . 809 142 123 GLN HB2 H 2.06 0.01 . 810 142 123 GLN HB3 H 2.06 0.01 . 811 142 123 GLN C C 178.3 0.1 . 812 142 123 GLN CA C 58.8 0.1 . 813 142 123 GLN CB C 27.4 0.1 . 814 142 123 GLN N N 113.2 0.1 . 815 143 124 GLU H H 7.42 0.01 . 816 143 124 GLU CA C 58.9 0.1 . 817 143 124 GLU CB C 29.8 0.1 . 818 143 124 GLU N N 119.1 0.1 . 819 144 125 LYS HA H 3.97 0.01 . 820 144 125 LYS C C 179.3 0.1 . 821 144 125 LYS CA C 56.7 0.1 . 822 144 125 LYS CB C 29.7 0.1 . 823 145 126 ILE H H 7.98 0.01 . 824 145 126 ILE HA H 3.72 0.01 . 825 145 126 ILE HB H 1.86 0.01 . 826 145 126 ILE C C 178.0 0.1 . 827 145 126 ILE CA C 64.4 0.1 . 828 145 126 ILE CB C 38.1 0.1 . 829 145 126 ILE N N 119.5 0.1 . 830 146 127 GLN H H 8.02 0.01 . 831 146 127 GLN HA H 4.12 0.01 . 832 146 127 GLN HB2 H 2.17 0.01 . 833 146 127 GLN HB3 H 2.17 0.01 . 834 146 127 GLN C C 178.1 0.1 . 835 146 127 GLN CA C 58.3 0.1 . 836 146 127 GLN CB C 28.3 0.1 . 837 146 127 GLN N N 119.1 0.1 . 838 147 128 LYS H H 8.09 0.01 . 839 147 128 LYS HA H 4.14 0.01 . 840 147 128 LYS HB2 H 1.89 0.01 . 841 147 128 LYS HB3 H 1.89 0.01 . 842 147 128 LYS C C 178.2 0.1 . 843 147 128 LYS CA C 58.2 0.1 . 844 147 128 LYS CB C 32.1 0.1 . 845 147 128 LYS N N 118.9 0.1 . 846 148 129 ARG H H 7.82 0.01 . 847 148 129 ARG HA H 4.24 0.01 . 848 148 129 ARG HB2 H 1.96 0.01 . 849 148 129 ARG HB3 H 1.96 0.01 . 850 148 129 ARG C C 177.2 0.1 . 851 148 129 ARG CA C 57.5 0.1 . 852 148 129 ARG CB C 29.8 0.1 . 853 148 129 ARG N N 119.1 0.1 . 854 149 130 ASN H H 8.12 0.01 . 855 149 130 ASN HA H 4.65 0.01 . 856 149 130 ASN HB2 H 2.88 0.01 . 857 149 130 ASN HB3 H 2.57 0.01 . 858 149 130 ASN C C 175.9 0.1 . 859 149 130 ASN CA C 54.0 0.1 . 860 149 130 ASN CB C 38.9 0.1 . 861 149 130 ASN N N 118.0 0.1 . 862 150 131 GLN H H 8.09 0.01 . 863 150 131 GLN HA H 4.52 0.01 . 864 150 131 GLN C C 176.4 0.1 . 865 150 131 GLN CA C 56.6 0.1 . 866 150 131 GLN CB C 29.2 0.1 . 867 150 131 GLN N N 120.0 0.1 . 868 151 132 ARG H H 8.17 0.01 . 869 151 132 ARG CA C 56.3 0.1 . 870 151 132 ARG CB C 30.5 0.1 . 871 151 132 ARG N N 121.1 0.1 . 872 152 133 GLN C C 176.2 0.1 . 873 152 133 GLN CA C 56.7 0.1 . 874 152 133 GLN CB C 29.7 0.1 . 875 153 134 SER H H 8.34 0.01 . 876 153 134 SER HA H 4.46 0.01 . 877 153 134 SER HB2 H 3.90 0.01 . 878 153 134 SER HB3 H 3.90 0.01 . 879 153 134 SER C C 175.0 0.1 . 880 153 134 SER CA C 58.7 0.1 . 881 153 134 SER CB C 64.2 0.1 . 882 153 134 SER N N 116.5 0.1 . 883 154 135 GLY H H 8.51 0.01 . 884 154 135 GLY HA2 H 4.00 0.01 . 885 154 135 GLY HA3 H 4.00 0.01 . 886 154 135 GLY C C 173.9 0.1 . 887 154 135 GLY CA C 45.5 0.1 . 888 154 135 GLY N N 111.0 0.1 . 889 155 136 ASP H H 8.20 0.01 . 890 155 136 ASP HA H 4.60 0.01 . 891 155 136 ASP HB2 H 2.70 0.01 . 892 155 136 ASP HB3 H 2.70 0.01 . 893 155 136 ASP C C 176.2 0.1 . 894 155 136 ASP CA C 54.3 0.1 . 895 155 136 ASP CB C 41.5 0.1 . 896 155 136 ASP N N 120.2 0.1 . 897 156 137 ARG H H 8.24 0.01 . 898 156 137 ARG HA H 4.37 0.01 . 899 156 137 ARG HB2 H 1.86 0.01 . 900 156 137 ARG HB3 H 1.86 0.01 . 901 156 137 ARG C C 176.1 0.1 . 902 156 137 ARG CA C 56.0 0.1 . 903 156 137 ARG CB C 30.6 0.1 . 904 156 137 ARG N N 121.1 0.1 . 905 157 138 ARG H H 8.38 0.01 . 906 157 138 ARG C C 175.5 0.1 . 907 157 138 ARG CA C 56.1 0.1 . 908 157 138 ARG CB C 30.4 0.1 . 909 157 138 ARG N N 122.8 0.1 . 910 158 139 GLN H H 7.99 0.01 . 911 158 139 GLN CA C 57.4 0.1 . 912 158 139 GLN CB C 30.5 0.1 . 913 158 139 GLN N N 126.1 0.1 . stop_ save_