data_18403 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C and 15N resonance assignment of the UIM-SH3 construct of the STAM2 protein ; _BMRB_accession_number 18403 _BMRB_flat_file_name bmr18403.str _Entry_type original _Submission_date 2012-04-16 _Accession_date 2012-04-16 _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 Lange Anja . . 2 Ismail Mouhamad-Baligh . . 3 Riviere Gwladys . . 4 Hologne Maggy . . 5 Guilliere Florence . . 6 Lancelin Jean-Marc . . 7 Krimm Isabelle . . 8 Walker Olivier . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 104 "13C chemical shifts" 194 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-07-10 update BMRB 'update entry citation' 2012-07-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Competitive binding of UBPY and ubiquitin to the STAM2 SH3 domain revealed by NMR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22841719 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lange Anja . . 2 Ismail Mouhamad-Baligh . . 3 Riviere Gwladys . . 4 Hologne Maggy . . 5 Lacabanne Denis . . 6 Guilliere Florence . . 7 Lancelin Jean-Marc . . 8 Krimm Isabelle . . 9 Walker Olivier . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 586 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3379 _Page_last 3384 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UIM-SH3 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UIM-SH3 monomer' $UIM-SH3_domains_of_STAM2 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_UIM-SH3_domains_of_STAM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UIM-SH3_domains_of_STAM2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; GAMGMNKNKEDEDIAKAIEL SLQEQKQQHTETKSLYPSSE IQLNNKVARKVRALYDFEAV EDNELTFKHGEIIIVLDDSD ANWWKGENHRGIGLFPSDFV TTNLNIETE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 MET 6 ASN 7 LYS 8 ASN 9 LYS 10 GLU 11 ASP 12 GLU 13 ASP 14 ILE 15 ALA 16 LYS 17 ALA 18 ILE 19 GLU 20 LEU 21 SER 22 LEU 23 GLN 24 GLU 25 GLN 26 LYS 27 GLN 28 GLN 29 HIS 30 THR 31 GLU 32 THR 33 LYS 34 SER 35 LEU 36 TYR 37 PRO 38 SER 39 SER 40 GLU 41 ILE 42 GLN 43 LEU 44 ASN 45 ASN 46 LYS 47 VAL 48 ALA 49 ARG 50 LYS 51 VAL 52 ARG 53 ALA 54 LEU 55 TYR 56 ASP 57 PHE 58 GLU 59 ALA 60 VAL 61 GLU 62 ASP 63 ASN 64 GLU 65 LEU 66 THR 67 PHE 68 LYS 69 HIS 70 GLY 71 GLU 72 ILE 73 ILE 74 ILE 75 VAL 76 LEU 77 ASP 78 ASP 79 SER 80 ASP 81 ALA 82 ASN 83 TRP 84 TRP 85 LYS 86 GLY 87 GLU 88 ASN 89 HIS 90 ARG 91 GLY 92 ILE 93 GLY 94 LEU 95 PHE 96 PRO 97 SER 98 ASP 99 PHE 100 VAL 101 THR 102 THR 103 ASN 104 LEU 105 ASN 106 ILE 107 GLU 108 THR 109 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 1X2Q "Solution Structure Of The Sh3 Domain Of The Signal Transducing Adaptor Molecule 2" 65.14 88 98.59 100.00 2.51e-43 DBJ BAF84954 "unnamed protein product [Homo sapiens]" 95.41 525 99.04 100.00 6.07e-65 DBJ BAF85536 "unnamed protein product [Homo sapiens]" 95.41 525 99.04 100.00 6.07e-65 DBJ BAG72771 "signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 [synthetic construct]" 95.41 525 100.00 100.00 1.09e-65 DBJ BAK62690 "signal transducing adapter molecule 2 [Pan troglodytes]" 95.41 525 98.08 100.00 3.59e-64 EMBL CAB63735 "hypothetical protein [Homo sapiens]" 95.41 525 100.00 100.00 1.09e-65 EMBL CAL38297 "hypothetical protein [synthetic construct]" 95.41 525 100.00 100.00 1.09e-65 GB AAC63963 "signal transducing adaptor molecule 2A [Homo sapiens]" 95.41 525 99.04 100.00 6.07e-65 GB AAC63964 "signal transducing adaptor molecule 2B [Homo sapiens]" 95.41 342 99.04 100.00 5.48e-66 GB AAH28740 "Signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 [Homo sapiens]" 95.41 525 99.04 100.00 6.07e-65 GB AAY14712 "unknown [Homo sapiens]" 95.41 525 99.04 100.00 6.07e-65 GB ABM83353 "signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 [synthetic construct]" 95.41 525 99.04 100.00 6.07e-65 REF NP_001267210 "signal transducing adapter molecule 2 [Pan troglodytes]" 95.41 525 98.08 100.00 3.59e-64 REF NP_005834 "signal transducing adapter molecule 2 [Homo sapiens]" 95.41 525 99.04 100.00 6.07e-65 REF XP_003275024 "PREDICTED: signal transducing adapter molecule 2 [Nomascus leucogenys]" 95.41 496 97.12 99.04 6.31e-64 REF XP_003776054 "PREDICTED: LOW QUALITY PROTEIN: signal transducing adapter molecule 2 [Pongo abelii]" 95.41 533 99.04 100.00 5.89e-65 REF XP_003832773 "PREDICTED: signal transducing adapter molecule 2 [Pan paniscus]" 95.41 525 98.08 100.00 3.70e-64 SP O75886 "RecName: Full=Signal transducing adapter molecule 2; Short=STAM-2; AltName: Full=Hrs-binding protein" 95.41 525 99.04 100.00 6.07e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UIM-SH3_domains_of_STAM2 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 $UIM-SH3_domains_of_STAM2 'recombinant technology' . Escherichia coli . pETEM-60 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 $UIM-SH3_domains_of_STAM2 200-400 uM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 20 . mM pH 6.8 . pH pressure 1 . atm temperature 288 . 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 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HN(CO)CA' '2D 1H-15N HSQC' '3D 1H-13C NOESY' 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 'UIM-SH3 monomer' _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 2 2 ALA C C 177.89334 0.3 1 2 2 2 ALA CA C 52.74052 0.3 1 3 3 3 MET H H 8.62304 0.02 1 4 3 3 MET C C 176.83229 0.3 1 5 3 3 MET CA C 55.71634 0.3 1 6 3 3 MET N N 119.94584 0.3 1 7 4 4 GLY H H 8.52514 0.02 1 8 4 4 GLY C C 174.1949 0.3 1 9 4 4 GLY CA C 45.40749 0.3 1 10 4 4 GLY N N 110.33929 0.3 1 11 5 5 MET H H 8.31538 0.02 1 12 5 5 MET C C 176.23381 0.3 1 13 5 5 MET CA C 55.63688 0.3 1 14 5 5 MET N N 120.20618 0.3 1 15 6 6 ASN H H 8.57947 0.02 1 16 6 6 ASN CA C 53.58936 0.3 1 17 6 6 ASN N N 119.82722 0.3 1 18 7 7 LYS H H 8.40141 0.02 1 19 7 7 LYS C C 176.23381 0.3 1 20 7 7 LYS CA C 56.64683 0.3 1 21 7 7 LYS N N 122.07221 0.3 1 22 8 8 ASN H H 8.57947 0.3 1 23 8 8 ASN CA C 53.58936 0.02 1 24 8 8 ASN N N 119.82722 0.3 1 25 9 9 LYS H H 8.38237 0.02 1 26 9 9 LYS C C 176.9915 0.3 1 27 9 9 LYS CA C 57.40017 0.3 1 28 9 9 LYS N N 122.17931 0.3 1 29 10 10 GLU H H 8.55396 0.02 1 30 10 10 GLU C C 177.16068 0.3 1 31 10 10 GLU CA C 57.80513 0.3 1 32 10 10 GLU N N 120.97373 0.3 1 33 11 11 ASP H H 8.31538 0.02 1 34 11 11 ASP CA C 55.50688 0.3 1 35 11 11 ASP N N 120.20618 0.3 1 36 12 12 GLU H H 8.2852 0.02 1 37 12 12 GLU CA C 57.84125 0.3 1 38 12 12 GLU N N 121.70395 0.3 1 39 13 13 ASP H H 8.44489 0.02 1 40 13 13 ASP C C 177.85612 0.3 1 41 13 13 ASP CA C 55.70485 0.3 1 42 13 13 ASP N N 121.37841 0.3 1 43 14 14 ILE H H 8.06118 0.02 1 44 14 14 ILE C C 177.05408 0.3 1 45 14 14 ILE CA C 62.98746 0.3 1 46 14 14 ILE N N 122.43052 0.3 1 47 15 15 ALA H H 8.1485 0.02 1 48 15 15 ALA C C 179.38863 0.3 1 49 15 15 ALA CA C 54.11803 0.3 1 50 15 15 ALA N N 124.66136 0.3 1 51 16 16 LYS H H 8.13938 0.02 1 52 16 16 LYS C C 177.37636 0.3 1 53 16 16 LYS CA C 57.54819 0.3 1 54 16 16 LYS N N 119.71185 0.3 1 55 17 17 ALA H H 8.0277 0.02 1 56 17 17 ALA CA C 53.97977 0.3 1 57 17 17 ALA N N 123.75627 0.3 1 58 18 18 ILE H H 8.13523 0.02 1 59 18 18 ILE C C 177.51431 0.3 1 60 18 18 ILE CA C 63.07209 0.3 1 61 18 18 ILE N N 120.53921 0.3 1 62 19 19 GLU H H 8.22359 0.02 1 63 19 19 GLU CA C 58.15472 0.3 1 64 19 19 GLU N N 123.17493 0.3 1 65 20 20 LEU H H 8.28031 0.02 1 66 20 20 LEU C C 178.59863 0.3 1 67 20 20 LEU CA C 56.65505 0.3 1 68 20 20 LEU N N 121.77396 0.3 1 69 21 21 SER H H 8.24869 0.02 1 70 21 21 SER C C 175.74709 0.3 1 71 21 21 SER CA C 59.92688 0.3 1 72 21 21 SER N N 116.27406 0.3 1 73 22 22 LEU H H 8.15963 0.02 1 74 22 22 LEU C C 178.68048 0.3 1 75 22 22 LEU CA C 56.6888 0.3 1 76 22 22 LEU N N 122.89203 0.3 1 77 23 23 GLN H H 8.11687 0.02 1 78 23 23 GLN C C 177.28114 0.3 1 79 23 23 GLN CA C 57.35143 0.3 1 80 23 23 GLN N N 119.30263 0.3 1 81 24 24 GLU H H 8.23453 0.02 1 82 24 24 GLU CA C 57.74247 0.3 1 83 24 24 GLU N N 120.73801 0.3 1 84 25 25 GLN H H 8.27333 0.02 1 85 25 25 GLN C C 176.81943 0.3 1 86 25 25 GLN CA C 56.88106 0.3 1 87 25 25 GLN N N 120.26885 0.3 1 88 26 26 LYS H H 8.18278 0.02 1 89 26 26 LYS C C 177.14632 0.3 1 90 26 26 LYS CA C 57.1375 0.3 1 91 26 26 LYS N N 121.26222 0.3 1 92 27 27 GLN H H 8.25483 0.02 1 93 27 27 GLN C C 175.87268 0.3 1 94 27 27 GLN CA C 56.26152 0.3 1 95 27 27 GLN N N 120.31802 0.3 1 96 28 28 GLN H H 8.44964 0.02 1 97 28 28 GLN C C 176.17508 0.3 1 98 28 28 GLN CA C 56.22315 0.3 1 99 28 28 GLN N N 120.43763 0.3 1 100 29 29 HIS H H 8.33189 0.02 1 101 29 29 HIS C C 175.26627 0.3 1 102 29 29 HIS CA C 56.19708 0.3 1 103 29 29 HIS N N 120.7674 0.3 1 104 30 30 THR H H 8.18942 0.02 1 105 30 30 THR C C 174.37619 0.3 1 106 30 30 THR CA C 62.14653 0.3 1 107 30 30 THR N N 116.23256 0.3 1 108 31 31 GLU H H 8.63207 0.02 1 109 31 31 GLU CA C 56.69125 0.3 1 110 31 31 GLU N N 123.79591 0.3 1 111 32 32 THR H H 8.34712 0.02 1 112 32 32 THR CA C 62.2684 0.3 1 113 32 32 THR N N 116.67563 0.3 1 114 33 33 LYS H H 8.42707 0.02 1 115 33 33 LYS C C 176.44397 0.3 1 116 33 33 LYS CA C 56.47437 0.3 1 117 33 33 LYS N N 124.37875 0.3 1 118 34 34 SER H H 8.37029 0.02 1 119 34 34 SER C C 174.23357 0.3 1 120 34 34 SER CA C 58.18116 0.3 1 121 34 34 SER N N 117.25562 0.3 1 122 35 35 LEU H H 8.26036 0.02 1 123 35 35 LEU CA C 55.36992 0.3 1 124 35 35 LEU N N 124.20813 0.3 1 125 36 36 TYR H H 8.13617 0.02 1 126 36 36 TYR C C 177.03722 0.3 1 127 36 36 TYR CA C 55.5704 0.3 1 128 36 36 TYR N N 120.54448 0.3 1 129 37 37 PRO CA C 63.2545 0.3 1 130 38 38 SER H H 8.51226 0.02 1 131 38 38 SER C C 174.87589 0.3 1 132 38 38 SER CA C 58.5121 0.3 1 133 38 38 SER N N 116.45992 0.3 1 134 39 39 SER H H 8.44966 0.02 1 135 39 39 SER C C 174.53642 0.3 1 136 39 39 SER CA C 58.51969 0.3 1 137 39 39 SER N N 117.76657 0.3 1 138 40 40 GLU H H 8.43962 0.02 1 139 40 40 GLU C C 176.55313 0.3 1 140 40 40 GLU CA C 56.87554 0.3 1 141 40 40 GLU N N 122.60368 0.3 1 142 41 41 ILE H H 8.11414 0.02 1 143 41 41 ILE CA C 61.51329 0.3 1 144 41 41 ILE N N 121.90081 0.3 1 145 42 42 GLN H H 8.45191 0.02 1 146 42 42 GLN C C 175.95294 0.3 1 147 42 42 GLN CA C 55.82307 0.3 1 148 42 42 GLN N N 124.4588 0.3 1 149 43 43 LEU H H 8.35595 0.02 1 150 43 43 LEU C C 177.17894 0.3 1 151 43 43 LEU CA C 55.49179 0.3 1 152 43 43 LEU N N 123.68263 0.3 1 153 44 44 ASN H H 8.4559 0.02 1 154 44 44 ASN C C 174.87885 0.3 1 155 44 44 ASN CA C 53.43406 0.3 1 156 44 44 ASN N N 118.8299 0.3 1 157 45 45 ASN H H 8.33445 0.02 1 158 45 45 ASN C C 175.04478 0.3 1 159 45 45 ASN CA C 53.44353 0.3 1 160 45 45 ASN N N 118.96552 0.3 1 161 46 46 LYS H H 8.24031 0.02 1 162 46 46 LYS C C 176.37686 0.3 1 163 46 46 LYS CA C 56.54121 0.3 1 164 46 46 LYS N N 121.54157 0.3 1 165 47 47 VAL H H 8.13383 0.02 1 166 47 47 VAL C C 175.54144 0.3 1 167 47 47 VAL CA C 62.06156 0.3 1 168 47 47 VAL N N 121.44569 0.3 1 169 48 48 ALA H H 8.3432 0.02 1 170 48 48 ALA C C 176.80772 0.3 1 171 48 48 ALA CA C 52.4216 0.3 1 172 48 48 ALA N N 128.6862 0.3 1 173 49 49 ARG H H 8.3423 0.02 1 174 49 49 ARG CA C 55.62498 0.3 1 175 49 49 ARG N N 121.62463 0.3 1 176 50 50 LYS H H 8.3844 0.02 1 177 50 50 LYS C C 175.68103 0.3 1 178 50 50 LYS CA C 55.76348 0.3 1 179 50 50 LYS N N 122.21918 0.3 1 180 51 51 VAL H H 8.88598 0.02 1 181 51 51 VAL C C 172.83382 0.3 1 182 51 51 VAL CA C 59.00071 0.3 1 183 51 51 VAL N N 113.28972 0.3 1 184 52 52 ARG H H 8.77425 0.02 1 185 52 52 ARG C C 175.67014 0.3 1 186 52 52 ARG CA C 53.57537 0.3 1 187 52 52 ARG N N 119.76001 0.3 1 188 53 53 ALA H H 8.88036 0.02 1 189 53 53 ALA C C 179.15697 0.3 1 190 53 53 ALA CA C 52.77911 0.3 1 191 53 53 ALA N N 127.25026 0.3 1 192 54 54 LEU H H 9.53772 0.02 1 193 54 54 LEU C C 175.74474 0.3 1 194 54 54 LEU CA C 55.97061 0.3 1 195 54 54 LEU N N 126.33112 0.3 1 196 55 55 TYR H H 7.00132 0.02 1 197 55 55 TYR C C 173.46095 0.3 1 198 55 55 TYR CA C 53.90272 0.3 1 199 55 55 TYR N N 113.51181 0.3 1 200 56 56 ASP H H 8.60435 0.02 1 201 56 56 ASP C C 175.44753 0.3 1 202 56 56 ASP CA C 54.81855 0.3 1 203 56 56 ASP N N 118.19489 0.3 1 204 57 57 PHE H H 8.44025 0.02 1 205 57 57 PHE C C 172.29253 0.3 1 206 57 57 PHE CA C 58.02979 0.3 1 207 57 57 PHE N N 121.86366 0.3 1 208 58 58 GLU H H 7.70201 0.02 1 209 58 58 GLU C C 173.77292 0.3 1 210 58 58 GLU CA C 53.95382 0.3 1 211 58 58 GLU N N 127.77963 0.3 1 212 59 59 ALA H H 7.75485 0.02 1 213 59 59 ALA C C 177.88579 0.3 1 214 59 59 ALA CA C 53.31353 0.3 1 215 59 59 ALA N N 127.06391 0.3 1 216 60 60 VAL H H 8.77444 0.02 1 217 60 60 VAL C C 176.81523 0.3 1 218 60 60 VAL CA C 63.43355 0.3 1 219 60 60 VAL N N 121.47728 0.3 1 220 61 61 GLU H H 7.75415 0.02 1 221 61 61 GLU C C 177.9431 0.3 1 222 61 61 GLU CA C 54.22125 0.3 1 223 61 61 GLU N N 119.14515 0.3 1 224 62 62 ASP H H 8.93732 0.02 1 225 62 62 ASP C C 176.20326 0.3 1 226 62 62 ASP CA C 56.51317 0.3 1 227 62 62 ASP N N 120.34333 0.3 1 228 63 63 ASN H H 7.948 0.02 1 229 63 63 ASN C C 175.99104 0.3 1 230 63 63 ASN CA C 52.31793 0.3 1 231 63 63 ASN N N 113.79606 0.3 1 232 64 64 GLU H H 7.48374 0.02 1 233 64 64 GLU C C 175.26949 0.3 1 234 64 64 GLU CA C 55.7848 0.3 1 235 64 64 GLU N N 119.90681 0.3 1 236 65 65 LEU H H 8.94614 0.02 1 237 65 65 LEU C C 173.00574 0.3 1 238 65 65 LEU CA C 53.58546 0.3 1 239 65 65 LEU N N 126.03877 0.3 1 240 66 66 THR H H 7.57256 0.02 1 241 66 66 THR C C 174.84399 0.3 1 242 66 66 THR CA C 61.9253 0.3 1 243 66 66 THR N N 118.74744 0.3 1 244 67 67 PHE H H 8.99736 0.02 1 245 67 67 PHE C C 173.92702 0.3 1 246 67 67 PHE CA C 55.86916 0.3 1 247 67 67 PHE N N 119.7775 0.3 1 248 68 68 LYS H H 8.16558 0.02 1 249 68 68 LYS C C 175.88509 0.3 1 250 68 68 LYS CA C 52.90205 0.3 1 251 68 68 LYS N N 118.70169 0.3 1 252 69 69 HIS H H 9.62568 0.02 1 253 69 69 HIS C C 174.04393 0.3 1 254 69 69 HIS CA C 57.45095 0.3 1 255 69 69 HIS N N 118.23248 0.3 1 256 70 70 GLY H H 8.76002 0.02 1 257 70 70 GLY C C 174.33359 0.3 1 258 70 70 GLY CA C 45.27813 0.3 1 259 70 70 GLY N N 112.24245 0.3 1 260 71 71 GLU H H 7.86213 0.02 1 261 71 71 GLU C C 175.27702 0.3 1 262 71 71 GLU CA C 56.77919 0.3 1 263 71 71 GLU N N 119.51727 0.3 1 264 72 72 ILE H H 8.3715 0.02 1 265 72 72 ILE C C 176.82835 0.3 1 266 72 72 ILE CA C 58.50976 0.3 1 267 72 72 ILE N N 119.67852 0.3 1 268 73 73 ILE H H 8.9054 0.02 1 269 73 73 ILE CA C 60.55842 0.3 1 270 73 73 ILE N N 129.70439 0.3 1 271 74 74 ILE H H 8.4734 0.02 1 272 74 74 ILE C C 175.94843 0.3 1 273 74 74 ILE CA C 60.20058 0.3 1 274 74 74 ILE N N 125.94041 0.3 1 275 75 75 VAL H H 9.1826 0.02 1 276 75 75 VAL C C 175.10284 0.3 1 277 75 75 VAL CA C 64.35752 0.3 1 278 75 75 VAL N N 127.80103 0.3 1 279 76 76 LEU H H 9.27656 0.02 1 280 76 76 LEU C C 177.48259 0.3 1 281 76 76 LEU CA C 55.14566 0.3 1 282 76 76 LEU N N 127.92377 0.3 1 283 77 77 ASP H H 7.64606 0.02 1 284 77 77 ASP C C 174.5208 0.3 1 285 77 77 ASP CA C 55.11874 0.3 1 286 77 77 ASP N N 116.08878 0.3 1 287 78 78 ASP H H 8.16645 0.02 1 288 78 78 ASP C C 175.42618 0.3 1 289 78 78 ASP CA C 52.18509 0.3 1 290 78 78 ASP N N 128.47447 0.3 1 291 79 79 SER H H 8.23068 0.02 1 292 79 79 SER C C 175.42322 0.3 1 293 79 79 SER CA C 61.67878 0.3 1 294 79 79 SER N N 115.02412 0.3 1 295 80 80 ASP H H 8.68874 0.02 1 296 80 80 ASP CA C 53.83246 0.3 1 297 80 80 ASP N N 124.9873 0.3 1 298 81 81 ALA H H 8.36875 0.02 1 299 81 81 ALA C C 179.45065 0.3 1 300 81 81 ALA CA C 54.80757 0.3 1 301 81 81 ALA N N 122.34467 0.3 1 302 82 82 ASN H H 8.47975 0.02 1 303 82 82 ASN C C 174.9624 0.3 1 304 82 82 ASN CA C 54.80757 0.3 1 305 82 82 ASN N N 113.31498 0.3 1 306 83 83 TRP H H 8.80793 0.02 1 307 83 83 TRP CA C 56.19628 0.3 1 308 83 83 TRP N N 123.69116 0.3 1 309 84 84 TRP H H 8.47536 0.02 1 310 84 84 TRP C C 172.94901 0.3 1 311 84 84 TRP CA C 52.83338 0.3 1 312 84 84 TRP N N 126.04747 0.3 1 313 85 85 LYS H H 8.74445 0.02 1 314 85 85 LYS C C 176.96216 0.3 1 315 85 85 LYS CA C 55.00751 0.3 1 316 85 85 LYS N N 119.53824 0.3 1 317 86 86 GLY H H 9.81415 0.02 1 318 86 86 GLY C C 169.42712 0.3 1 319 86 86 GLY CA C 45.78331 0.3 1 320 86 86 GLY N N 116.19762 0.3 1 321 87 87 GLU H H 9.14728 0.02 1 322 87 87 GLU C C 175.12349 0.3 1 323 87 87 GLU CA C 54.61148 0.3 1 324 87 87 GLU N N 118.67406 0.3 1 325 88 88 ASN H H 9.14018 0.02 1 326 88 88 ASN CA C 52.30162 0.3 1 327 88 88 ASN N N 122.85646 0.3 1 328 89 89 HIS C C 175.96278 0.3 1 329 89 89 HIS CA C 58.72704 0.3 1 330 90 90 ARG H H 8.09527 0.02 1 331 90 90 ARG C C 176.63287 0.3 1 332 90 90 ARG CA C 56.62378 0.3 1 333 90 90 ARG N N 118.85223 0.3 1 334 91 91 GLY H H 7.77362 0.02 1 335 91 91 GLY C C 169.51051 0.3 1 336 91 91 GLY CA C 45.2785 0.3 1 337 91 91 GLY N N 107.88157 0.3 1 338 92 92 ILE H H 8.03955 0.02 1 339 92 92 ILE C C 177.17038 0.3 1 340 92 92 ILE CA C 59.25618 0.3 1 341 92 92 ILE N N 117.96838 0.3 1 342 93 93 GLY H H 9.06146 0.02 1 343 93 93 GLY C C 171.24072 0.3 1 344 93 93 GLY CA C 45.82391 0.3 1 345 93 93 GLY N N 112.32797 0.3 1 346 94 94 LEU H H 9.34776 0.02 1 347 94 94 LEU C C 177.65215 0.3 1 348 94 94 LEU CA C 54.32784 0.3 1 349 94 94 LEU N N 120.55309 0.3 1 350 95 95 PHE H H 9.23664 0.02 1 351 95 95 PHE CA C 55.45646 0.3 1 352 95 95 PHE N N 116.10665 0.3 1 353 96 96 PRO CA C 61.12302 0.3 1 354 97 97 SER H H 7.75684 0.02 1 355 97 97 SER CA C 60.21215 0.3 1 356 97 97 SER N N 121.86482 0.3 1 357 98 98 ASP H H 8.32641 0.02 1 358 98 98 ASP C C 176.43948 0.3 1 359 98 98 ASP CA C 54.12664 0.3 1 360 98 98 ASP N N 116.85012 0.3 1 361 99 99 PHE H H 8.034 0.02 1 362 99 99 PHE C C 175.05779 0.3 1 363 99 99 PHE CA C 57.98326 0.3 1 364 99 99 PHE N N 119.38812 0.3 1 365 100 100 VAL H H 7.29314 0.02 1 366 100 100 VAL C C 173.34012 0.3 1 367 100 100 VAL CA C 58.5423 0.3 1 368 100 100 VAL N N 108.86767 0.3 1 369 101 101 THR H H 8.81878 0.02 1 370 101 101 THR C C 172.87482 0.3 1 371 101 101 THR CA C 58.18139 0.3 1 372 101 101 THR N N 112.59203 0.3 1 373 102 102 THR H H 8.37733 0.02 1 374 102 102 THR CA C 62.68167 0.3 1 375 102 102 THR N N 116.412 0.3 1 376 103 103 ASN H H 8.4388 0.02 1 377 103 103 ASN C C 174.68535 0.3 1 378 103 103 ASN CA C 52.77171 0.3 1 379 103 103 ASN N N 121.69292 0.3 1 380 104 104 LEU H H 8.61186 0.02 1 381 104 104 LEU C C 177.27229 0.3 1 382 104 104 LEU CA C 55.94074 0.3 1 383 104 104 LEU N N 124.49168 0.3 1 384 105 105 ASN H H 8.20458 0.02 1 385 105 105 ASN C C 174.71001 0.3 1 386 105 105 ASN CA C 53.52925 0.3 1 387 105 105 ASN N N 117.64935 0.3 1 388 106 106 ILE H H 7.99527 0.02 1 389 106 106 ILE C C 175.94849 0.3 1 390 106 106 ILE CA C 61.43987 0.3 1 391 106 106 ILE N N 120.81773 0.3 1 392 107 107 GLU H H 8.56936 0.02 1 393 107 107 GLU C C 176.53789 0.3 1 394 107 107 GLU CA C 56.6913 0.3 1 395 107 107 GLU N N 124.84093 0.3 1 396 108 108 THR H H 8.23068 0.02 1 397 108 108 THR C C 173.6868 0.3 1 398 108 108 THR CA C 61.67878 0.3 1 399 108 108 THR N N 115.02412 0.3 1 400 109 109 GLU H H 8.08377 0.02 1 401 109 109 GLU CA C 58.19132 0.3 1 402 109 109 GLU N N 128.1264 0.3 1 stop_ save_