data_11155 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SH3 domain of Abl interactor 2 (Abelson interactor 2) ; _BMRB_accession_number 11155 _BMRB_flat_file_name bmr11155.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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 Abe H. . . 2 Tochio N. . . 3 Miyamoto K. . . 4 Saito K. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 423 "13C chemical shifts" 322 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the SH3 domain of Abl interactor 2 (Abelson interactor 2)' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Abe H. . . 2 Tochio N. . . 3 Miyamoto K. . . 4 Saito K. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Abl interactor 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 domain' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; GSSGSSGDPPWAPRSYLEKV VAIYDYTKDKEDELSFQEGA IIYVIKKNDDGWYEGVMNGV TGLFPGNYVESISGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 PRO 10 PRO 11 TRP 12 ALA 13 PRO 14 ARG 15 SER 16 TYR 17 LEU 18 GLU 19 LYS 20 VAL 21 VAL 22 ALA 23 ILE 24 TYR 25 ASP 26 TYR 27 THR 28 LYS 29 ASP 30 LYS 31 GLU 32 ASP 33 GLU 34 LEU 35 SER 36 PHE 37 GLN 38 GLU 39 GLY 40 ALA 41 ILE 42 ILE 43 TYR 44 VAL 45 ILE 46 LYS 47 LYS 48 ASN 49 ASP 50 ASP 51 GLY 52 TRP 53 TYR 54 GLU 55 GLY 56 VAL 57 MET 58 ASN 59 GLY 60 VAL 61 THR 62 GLY 63 LEU 64 PHE 65 PRO 66 GLY 67 ASN 68 TYR 69 VAL 70 GLU 71 SER 72 ILE 73 SER 74 GLY 75 PRO 76 SER 77 SER 78 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2ED0 "Solution Structure Of The Sh3 Domain Of Abl Interactor 2 (Abelson Interactor 2)" 100.00 78 100.00 100.00 4.83e-47 PDB 4N78 "The Wave Regulatory Complex Links Diverse Receptors To The Actin Cytoskeleton" 83.33 514 100.00 100.00 6.34e-38 DBJ BAE23233 "unnamed protein product [Mus musculus]" 83.33 87 98.46 100.00 1.45e-38 DBJ BAE89457 "unnamed protein product [Macaca fascicularis]" 83.33 299 100.00 100.00 1.92e-39 DBJ BAG57674 "unnamed protein product [Homo sapiens]" 83.33 161 100.00 100.00 6.50e-39 DBJ BAG59937 "unnamed protein product [Homo sapiens]" 83.33 238 100.00 100.00 5.14e-39 DBJ BAG61587 "unnamed protein product [Homo sapiens]" 83.33 161 100.00 100.00 6.50e-39 EMBL CAA64885 "Arg protein tyrosine kinase-binding protein [Homo sapiens]" 83.33 475 100.00 100.00 8.62e-38 EMBL CAA64980 "argBPIB [Homo sapiens]" 83.33 299 100.00 100.00 1.78e-39 EMBL CAH89983 "hypothetical protein [Pongo abelii]" 83.33 458 100.00 100.00 5.75e-38 EMBL CAJ82503 "abl interactor 2 [Xenopus (Silurana) tropicalis]" 83.33 538 96.92 100.00 2.11e-37 GB AAA75446 "Abl binding protein 3 [Homo sapiens]" 83.33 390 98.46 98.46 6.24e-37 GB AAA92289 "Abl interactor 2 [Homo sapiens]" 83.33 401 100.00 100.00 1.19e-37 GB AAC53493 "thyroid hormone responsive protein [Rattus norvegicus]" 82.05 543 100.00 100.00 2.81e-36 GB AAF70308 "Abl-interactor protein 2b [Homo sapiens]" 83.33 513 100.00 100.00 6.77e-38 GB AAH01439 "Abl interactor 2 [Homo sapiens]" 83.33 475 100.00 100.00 7.64e-38 REF NP_001016044 "abl interactor 2 [Xenopus (Silurana) tropicalis]" 83.33 538 96.92 100.00 2.11e-37 REF NP_001094641 "abl interactor 2 [Bos taurus]" 83.33 475 100.00 100.00 7.88e-38 REF NP_001124937 "abl interactor 2 [Pongo abelii]" 83.33 458 100.00 100.00 5.75e-38 REF NP_001185499 "abl interactor 2 isoform 1 [Mus musculus]" 55.13 487 97.67 100.00 3.59e-20 REF NP_001185500 "abl interactor 2 isoform 2 [Mus musculus]" 83.33 480 98.46 100.00 2.92e-37 SP P62484 "RecName: Full=Abl interactor 2; AltName: Full=Abelson interactor 2; Short=Abi-2" 83.33 446 98.46 100.00 1.90e-37 SP Q9NYB9 "RecName: Full=Abl interactor 2; AltName: Full=Abelson interactor 2; Short=Abi-2; AltName: Full=Abl-binding protein 3; Short=Abl" 83.33 513 100.00 100.00 6.77e-38 TPG DAA32557 "TPA: abl interactor 2 [Bos taurus]" 83.33 475 100.00 100.00 7.88e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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 $entity_1 'cell free synthesis' . Escherichia coli . P050704-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.73mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O, 90% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.73 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'SH3 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 7 7 GLY HA2 H 3.934 0.030 1 2 7 7 GLY HA3 H 3.934 0.030 1 3 7 7 GLY C C 173.706 0.300 1 4 7 7 GLY CA C 44.973 0.300 1 5 8 8 ASP H H 8.172 0.030 1 6 8 8 ASP HA H 4.806 0.030 1 7 8 8 ASP HB2 H 2.330 0.030 2 8 8 8 ASP HB3 H 2.167 0.030 2 9 8 8 ASP C C 173.557 0.300 1 10 8 8 ASP CA C 52.695 0.300 1 11 8 8 ASP CB C 40.636 0.300 1 12 8 8 ASP N N 121.166 0.300 1 13 9 9 PRO HA H 4.567 0.030 1 14 9 9 PRO HB2 H 0.577 0.030 2 15 9 9 PRO HB3 H 2.184 0.030 2 16 9 9 PRO HD2 H 3.253 0.030 2 17 9 9 PRO HD3 H 3.692 0.030 2 18 9 9 PRO HG2 H 0.708 0.030 2 19 9 9 PRO HG3 H 1.719 0.030 2 20 9 9 PRO CA C 61.027 0.300 1 21 9 9 PRO CB C 31.217 0.300 1 22 9 9 PRO CD C 50.310 0.300 1 23 9 9 PRO CG C 27.132 0.300 1 24 10 10 PRO HA H 4.242 0.030 1 25 10 10 PRO HB2 H 2.028 0.030 2 26 10 10 PRO HB3 H 2.370 0.030 2 27 10 10 PRO HD2 H 3.654 0.030 2 28 10 10 PRO HD3 H 3.773 0.030 2 29 10 10 PRO HG2 H 2.109 0.030 1 30 10 10 PRO HG3 H 2.109 0.030 1 31 10 10 PRO C C 176.121 0.300 1 32 10 10 PRO CA C 64.655 0.300 1 33 10 10 PRO CB C 31.688 0.300 1 34 10 10 PRO CD C 50.646 0.300 1 35 10 10 PRO CG C 27.654 0.300 1 36 11 11 TRP H H 6.144 0.030 1 37 11 11 TRP HA H 4.522 0.030 1 38 11 11 TRP HB2 H 3.452 0.030 2 39 11 11 TRP HB3 H 3.123 0.030 2 40 11 11 TRP HD1 H 7.499 0.030 1 41 11 11 TRP HE1 H 10.869 0.030 1 42 11 11 TRP HE3 H 7.358 0.030 1 43 11 11 TRP HH2 H 7.735 0.030 1 44 11 11 TRP HZ2 H 7.941 0.030 1 45 11 11 TRP HZ3 H 7.162 0.030 1 46 11 11 TRP C C 176.254 0.300 1 47 11 11 TRP CA C 53.875 0.300 1 48 11 11 TRP CB C 29.388 0.300 1 49 11 11 TRP CD1 C 129.296 0.300 1 50 11 11 TRP CE3 C 120.828 0.300 1 51 11 11 TRP CH2 C 125.278 0.300 1 52 11 11 TRP CZ2 C 116.750 0.300 1 53 11 11 TRP CZ3 C 122.306 0.300 1 54 11 11 TRP N N 109.879 0.300 1 55 11 11 TRP NE1 N 133.891 0.300 1 56 12 12 ALA H H 6.959 0.030 1 57 12 12 ALA HA H 3.431 0.030 1 58 12 12 ALA HB H 0.151 0.030 1 59 12 12 ALA C C 174.425 0.300 1 60 12 12 ALA CA C 51.178 0.300 1 61 12 12 ALA CB C 15.836 0.300 1 62 12 12 ALA N N 126.057 0.300 1 63 13 13 PRO HA H 4.480 0.030 1 64 13 13 PRO HB2 H 2.420 0.030 2 65 13 13 PRO HB3 H 2.240 0.030 2 66 13 13 PRO HD2 H 3.357 0.030 2 67 13 13 PRO HD3 H 2.731 0.030 2 68 13 13 PRO HG2 H 1.958 0.030 2 69 13 13 PRO HG3 H 1.922 0.030 2 70 13 13 PRO C C 176.220 0.300 1 71 13 13 PRO CA C 61.918 0.300 1 72 13 13 PRO CB C 31.613 0.300 1 73 13 13 PRO CD C 49.430 0.300 1 74 13 13 PRO CG C 27.960 0.300 1 75 14 14 ARG H H 8.501 0.030 1 76 14 14 ARG HA H 4.060 0.030 1 77 14 14 ARG HB2 H 1.866 0.030 2 78 14 14 ARG HB3 H 1.822 0.030 2 79 14 14 ARG HD2 H 3.216 0.030 1 80 14 14 ARG HD3 H 3.216 0.030 1 81 14 14 ARG HG2 H 1.755 0.030 2 82 14 14 ARG HG3 H 1.692 0.030 2 83 14 14 ARG C C 176.820 0.300 1 84 14 14 ARG CA C 57.579 0.300 1 85 14 14 ARG CB C 30.262 0.300 1 86 14 14 ARG CD C 43.000 0.300 1 87 14 14 ARG CG C 27.199 0.300 1 88 14 14 ARG N N 119.573 0.300 1 89 15 15 SER H H 7.620 0.030 1 90 15 15 SER HA H 4.720 0.030 1 91 15 15 SER HB2 H 3.714 0.030 2 92 15 15 SER HB3 H 3.649 0.030 2 93 15 15 SER C C 172.835 0.300 1 94 15 15 SER CA C 56.397 0.300 1 95 15 15 SER CB C 64.437 0.300 1 96 15 15 SER N N 111.204 0.300 1 97 16 16 TYR H H 7.914 0.030 1 98 16 16 TYR HA H 4.965 0.030 1 99 16 16 TYR HB2 H 3.108 0.030 1 100 16 16 TYR HB3 H 3.108 0.030 1 101 16 16 TYR HD1 H 6.719 0.030 1 102 16 16 TYR HD2 H 6.719 0.030 1 103 16 16 TYR HE1 H 6.801 0.030 1 104 16 16 TYR HE2 H 6.801 0.030 1 105 16 16 TYR C C 174.082 0.300 1 106 16 16 TYR CA C 56.538 0.300 1 107 16 16 TYR CB C 37.884 0.300 1 108 16 16 TYR CD1 C 134.353 0.300 1 109 16 16 TYR CD2 C 134.353 0.300 1 110 16 16 TYR CE1 C 118.597 0.300 1 111 16 16 TYR CE2 C 118.597 0.300 1 112 16 16 TYR N N 118.220 0.300 1 113 17 17 LEU H H 9.122 0.030 1 114 17 17 LEU HA H 4.294 0.030 1 115 17 17 LEU HB2 H 1.537 0.030 2 116 17 17 LEU HB3 H 1.485 0.030 2 117 17 17 LEU HD1 H 0.770 0.030 1 118 17 17 LEU HD2 H 0.828 0.030 1 119 17 17 LEU HG H 1.611 0.030 1 120 17 17 LEU C C 177.198 0.300 1 121 17 17 LEU CA C 56.756 0.300 1 122 17 17 LEU CB C 43.287 0.300 1 123 17 17 LEU CD1 C 25.589 0.300 2 124 17 17 LEU CD2 C 22.481 0.300 2 125 17 17 LEU CG C 27.087 0.300 1 126 17 17 LEU N N 119.599 0.300 1 127 18 18 GLU H H 7.478 0.030 1 128 18 18 GLU HA H 4.635 0.030 1 129 18 18 GLU HB2 H 1.960 0.030 2 130 18 18 GLU HB3 H 2.261 0.030 2 131 18 18 GLU HG2 H 2.023 0.030 1 132 18 18 GLU HG3 H 2.023 0.030 1 133 18 18 GLU C C 173.547 0.300 1 134 18 18 GLU CA C 55.515 0.300 1 135 18 18 GLU CB C 32.627 0.300 1 136 18 18 GLU CG C 35.111 0.300 1 137 18 18 GLU N N 111.768 0.300 1 138 19 19 LYS H H 8.697 0.030 1 139 19 19 LYS HA H 4.636 0.030 1 140 19 19 LYS HB2 H 1.518 0.030 2 141 19 19 LYS HB3 H 1.338 0.030 2 142 19 19 LYS HD2 H 1.438 0.030 1 143 19 19 LYS HD3 H 1.438 0.030 1 144 19 19 LYS HE2 H 2.739 0.030 2 145 19 19 LYS HE3 H 2.702 0.030 2 146 19 19 LYS HG2 H 0.620 0.030 2 147 19 19 LYS HG3 H 0.543 0.030 2 148 19 19 LYS C C 175.056 0.300 1 149 19 19 LYS CA C 55.521 0.300 1 150 19 19 LYS CB C 34.296 0.300 1 151 19 19 LYS CD C 29.842 0.300 1 152 19 19 LYS CE C 41.843 0.300 1 153 19 19 LYS CG C 24.828 0.300 1 154 19 19 LYS N N 124.796 0.300 1 155 20 20 VAL H H 8.892 0.030 1 156 20 20 VAL HA H 5.121 0.030 1 157 20 20 VAL HB H 1.985 0.030 1 158 20 20 VAL HG1 H 0.829 0.030 1 159 20 20 VAL HG2 H 0.669 0.030 1 160 20 20 VAL C C 172.362 0.300 1 161 20 20 VAL CA C 58.263 0.300 1 162 20 20 VAL CB C 35.841 0.300 1 163 20 20 VAL CG1 C 21.764 0.300 2 164 20 20 VAL CG2 C 20.040 0.300 2 165 20 20 VAL N N 117.454 0.300 1 166 21 21 VAL H H 8.901 0.030 1 167 21 21 VAL HA H 5.355 0.030 1 168 21 21 VAL HB H 1.720 0.030 1 169 21 21 VAL HG1 H 0.804 0.030 1 170 21 21 VAL HG2 H 0.829 0.030 1 171 21 21 VAL C C 174.829 0.300 1 172 21 21 VAL CA C 57.166 0.300 1 173 21 21 VAL CB C 35.311 0.300 1 174 21 21 VAL CG1 C 19.646 0.300 2 175 21 21 VAL CG2 C 21.748 0.300 2 176 21 21 VAL N N 117.604 0.300 1 177 22 22 ALA H H 8.774 0.030 1 178 22 22 ALA HA H 4.539 0.030 1 179 22 22 ALA HB H 1.393 0.030 1 180 22 22 ALA C C 179.660 0.300 1 181 22 22 ALA CA C 52.483 0.300 1 182 22 22 ALA CB C 20.874 0.300 1 183 22 22 ALA N N 127.768 0.300 1 184 23 23 ILE H H 9.111 0.030 1 185 23 23 ILE HA H 4.228 0.030 1 186 23 23 ILE HB H 1.498 0.030 1 187 23 23 ILE HD1 H 0.572 0.030 1 188 23 23 ILE HG12 H 0.509 0.030 2 189 23 23 ILE HG13 H 0.721 0.030 2 190 23 23 ILE HG2 H 0.585 0.030 1 191 23 23 ILE C C 173.875 0.300 1 192 23 23 ILE CA C 61.542 0.300 1 193 23 23 ILE CB C 38.604 0.300 1 194 23 23 ILE CD1 C 13.715 0.300 1 195 23 23 ILE CG1 C 26.490 0.300 1 196 23 23 ILE CG2 C 18.420 0.300 1 197 23 23 ILE N N 121.959 0.300 1 198 24 24 TYR H H 7.437 0.030 1 199 24 24 TYR HA H 4.926 0.030 1 200 24 24 TYR HB2 H 2.578 0.030 2 201 24 24 TYR HB3 H 3.278 0.030 2 202 24 24 TYR HD1 H 6.794 0.030 1 203 24 24 TYR HD2 H 6.794 0.030 1 204 24 24 TYR HE1 H 6.666 0.030 1 205 24 24 TYR HE2 H 6.666 0.030 1 206 24 24 TYR C C 173.860 0.300 1 207 24 24 TYR CA C 54.986 0.300 1 208 24 24 TYR CB C 42.986 0.300 1 209 24 24 TYR CD1 C 133.555 0.300 1 210 24 24 TYR CD2 C 133.555 0.300 1 211 24 24 TYR CE1 C 117.751 0.300 1 212 24 24 TYR CE2 C 117.751 0.300 1 213 24 24 TYR N N 117.242 0.300 1 214 25 25 ASP H H 8.391 0.030 1 215 25 25 ASP HA H 4.717 0.030 1 216 25 25 ASP HB2 H 2.613 0.030 2 217 25 25 ASP HB3 H 2.785 0.030 2 218 25 25 ASP C C 175.752 0.300 1 219 25 25 ASP CA C 54.563 0.300 1 220 25 25 ASP CB C 41.594 0.300 1 221 25 25 ASP N N 118.014 0.300 1 222 26 26 TYR H H 8.451 0.030 1 223 26 26 TYR HA H 4.430 0.030 1 224 26 26 TYR HB2 H 2.222 0.030 2 225 26 26 TYR HB3 H 1.025 0.030 2 226 26 26 TYR HD1 H 6.746 0.030 1 227 26 26 TYR HD2 H 6.746 0.030 1 228 26 26 TYR HE1 H 6.773 0.030 1 229 26 26 TYR HE2 H 6.773 0.030 1 230 26 26 TYR C C 174.220 0.300 1 231 26 26 TYR CA C 58.889 0.300 1 232 26 26 TYR CB C 42.247 0.300 1 233 26 26 TYR CD1 C 133.141 0.300 1 234 26 26 TYR CD2 C 133.141 0.300 1 235 26 26 TYR CE1 C 117.502 0.300 1 236 26 26 TYR CE2 C 117.502 0.300 1 237 26 26 TYR N N 121.244 0.300 1 238 27 27 THR H H 7.225 0.030 1 239 27 27 THR HA H 4.172 0.030 1 240 27 27 THR HB H 3.592 0.030 1 241 27 27 THR HG2 H 1.068 0.030 1 242 27 27 THR C C 171.894 0.300 1 243 27 27 THR CA C 60.627 0.300 1 244 27 27 THR CB C 69.903 0.300 1 245 27 27 THR CG2 C 21.336 0.300 1 246 27 27 THR N N 124.446 0.300 1 247 28 28 LYS H H 8.127 0.030 1 248 28 28 LYS HA H 4.088 0.030 1 249 28 28 LYS HB2 H 2.077 0.030 2 250 28 28 LYS HB3 H 1.558 0.030 2 251 28 28 LYS HD2 H 1.684 0.030 2 252 28 28 LYS HD3 H 1.595 0.030 2 253 28 28 LYS HE2 H 3.095 0.030 2 254 28 28 LYS HE3 H 2.923 0.030 2 255 28 28 LYS HG2 H 1.256 0.030 2 256 28 28 LYS HG3 H 1.076 0.030 2 257 28 28 LYS C C 175.073 0.300 1 258 28 28 LYS CA C 56.573 0.300 1 259 28 28 LYS CB C 33.126 0.300 1 260 28 28 LYS CD C 29.812 0.300 1 261 28 28 LYS CE C 42.349 0.300 1 262 28 28 LYS CG C 23.102 0.300 1 263 28 28 LYS N N 124.648 0.300 1 264 29 29 ASP H H 8.888 0.030 1 265 29 29 ASP HA H 4.784 0.030 1 266 29 29 ASP HB2 H 2.760 0.030 2 267 29 29 ASP HB3 H 3.020 0.030 2 268 29 29 ASP C C 175.713 0.300 1 269 29 29 ASP CA C 54.070 0.300 1 270 29 29 ASP CB C 42.928 0.300 1 271 29 29 ASP N N 122.864 0.300 1 272 30 30 LYS H H 7.088 0.030 1 273 30 30 LYS HA H 4.399 0.030 1 274 30 30 LYS HB2 H 1.794 0.030 2 275 30 30 LYS HB3 H 2.026 0.030 2 276 30 30 LYS HD2 H 1.638 0.030 1 277 30 30 LYS HD3 H 1.638 0.030 1 278 30 30 LYS HE2 H 2.887 0.030 2 279 30 30 LYS HE3 H 2.969 0.030 2 280 30 30 LYS HG2 H 1.385 0.030 1 281 30 30 LYS HG3 H 1.385 0.030 1 282 30 30 LYS C C 177.608 0.300 1 283 30 30 LYS CA C 55.152 0.300 1 284 30 30 LYS CB C 34.381 0.300 1 285 30 30 LYS CD C 28.670 0.300 1 286 30 30 LYS CE C 42.107 0.300 1 287 30 30 LYS CG C 24.550 0.300 1 288 30 30 LYS N N 114.591 0.300 1 289 31 31 GLU H H 8.537 0.030 1 290 31 31 GLU HA H 3.989 0.030 1 291 31 31 GLU HB2 H 2.095 0.030 2 292 31 31 GLU HB3 H 2.035 0.030 2 293 31 31 GLU HG2 H 2.350 0.030 1 294 31 31 GLU HG3 H 2.350 0.030 1 295 31 31 GLU C C 176.635 0.300 1 296 31 31 GLU CA C 59.189 0.300 1 297 31 31 GLU CB C 29.856 0.300 1 298 31 31 GLU CG C 36.081 0.300 1 299 31 31 GLU N N 117.074 0.300 1 300 32 32 ASP H H 8.117 0.030 1 301 32 32 ASP HA H 4.699 0.030 1 302 32 32 ASP HB2 H 2.641 0.030 2 303 32 32 ASP HB3 H 3.013 0.030 2 304 32 32 ASP C C 176.285 0.300 1 305 32 32 ASP CA C 53.400 0.300 1 306 32 32 ASP CB C 39.497 0.300 1 307 32 32 ASP N N 115.449 0.300 1 308 33 33 GLU H H 7.451 0.030 1 309 33 33 GLU HA H 5.317 0.030 1 310 33 33 GLU HB2 H 2.731 0.030 2 311 33 33 GLU HB3 H 2.421 0.030 2 312 33 33 GLU HG2 H 2.391 0.030 2 313 33 33 GLU HG3 H 2.355 0.030 2 314 33 33 GLU C C 176.278 0.300 1 315 33 33 GLU CA C 55.321 0.300 1 316 33 33 GLU CB C 32.990 0.300 1 317 33 33 GLU CG C 37.153 0.300 1 318 33 33 GLU N N 119.247 0.300 1 319 34 34 LEU H H 8.612 0.030 1 320 34 34 LEU HA H 4.577 0.030 1 321 34 34 LEU HB2 H 1.461 0.030 2 322 34 34 LEU HB3 H 1.745 0.030 2 323 34 34 LEU HD1 H 0.862 0.030 1 324 34 34 LEU HD2 H 0.891 0.030 1 325 34 34 LEU HG H 1.631 0.030 1 326 34 34 LEU C C 174.970 0.300 1 327 34 34 LEU CA C 53.877 0.300 1 328 34 34 LEU CB C 46.146 0.300 1 329 34 34 LEU CD1 C 24.126 0.300 2 330 34 34 LEU CD2 C 25.246 0.300 2 331 34 34 LEU CG C 27.200 0.300 1 332 34 34 LEU N N 121.478 0.300 1 333 35 35 SER H H 7.461 0.030 1 334 35 35 SER HA H 4.894 0.030 1 335 35 35 SER HB2 H 3.678 0.030 2 336 35 35 SER HB3 H 3.947 0.030 2 337 35 35 SER C C 174.198 0.300 1 338 35 35 SER CA C 57.102 0.300 1 339 35 35 SER CB C 65.570 0.300 1 340 35 35 SER N N 112.343 0.300 1 341 36 36 PHE H H 8.746 0.030 1 342 36 36 PHE HA H 4.799 0.030 1 343 36 36 PHE HB2 H 2.885 0.030 2 344 36 36 PHE HB3 H 3.202 0.030 2 345 36 36 PHE HD1 H 6.624 0.030 1 346 36 36 PHE HD2 H 6.624 0.030 1 347 36 36 PHE HE1 H 7.026 0.030 1 348 36 36 PHE HE2 H 7.026 0.030 1 349 36 36 PHE HZ H 6.564 0.030 1 350 36 36 PHE C C 174.326 0.300 1 351 36 36 PHE CA C 56.079 0.300 1 352 36 36 PHE CB C 40.338 0.300 1 353 36 36 PHE CD1 C 132.675 0.300 1 354 36 36 PHE CD2 C 132.675 0.300 1 355 36 36 PHE CE1 C 131.172 0.300 1 356 36 36 PHE CE2 C 131.172 0.300 1 357 36 36 PHE CZ C 128.179 0.300 1 358 36 36 PHE N N 116.282 0.300 1 359 37 37 GLN H H 8.360 0.030 1 360 37 37 GLN HA H 5.009 0.030 1 361 37 37 GLN HB2 H 1.949 0.030 2 362 37 37 GLN HB3 H 2.180 0.030 2 363 37 37 GLN HE21 H 6.817 0.030 2 364 37 37 GLN HE22 H 7.650 0.030 2 365 37 37 GLN HG2 H 2.294 0.030 2 366 37 37 GLN HG3 H 2.379 0.030 2 367 37 37 GLN C C 174.988 0.300 1 368 37 37 GLN CA C 53.634 0.300 1 369 37 37 GLN CB C 32.410 0.300 1 370 37 37 GLN CG C 35.000 0.300 1 371 37 37 GLN N N 118.662 0.300 1 372 37 37 GLN NE2 N 112.587 0.300 1 373 38 38 GLU H H 8.955 0.030 1 374 38 38 GLU HA H 3.345 0.030 1 375 38 38 GLU HB2 H 1.870 0.030 2 376 38 38 GLU HB3 H 1.789 0.030 2 377 38 38 GLU HG2 H 2.166 0.030 2 378 38 38 GLU HG3 H 1.983 0.030 2 379 38 38 GLU C C 176.540 0.300 1 380 38 38 GLU CA C 58.344 0.300 1 381 38 38 GLU CB C 29.907 0.300 1 382 38 38 GLU CG C 35.262 0.300 1 383 38 38 GLU N N 120.530 0.300 1 384 39 39 GLY H H 8.935 0.030 1 385 39 39 GLY HA2 H 3.432 0.030 2 386 39 39 GLY HA3 H 4.418 0.030 2 387 39 39 GLY C C 174.343 0.300 1 388 39 39 GLY CA C 44.621 0.300 1 389 39 39 GLY N N 114.476 0.300 1 390 40 40 ALA H H 8.087 0.030 1 391 40 40 ALA HA H 4.202 0.030 1 392 40 40 ALA HB H 1.465 0.030 1 393 40 40 ALA C C 175.765 0.300 1 394 40 40 ALA CA C 53.207 0.300 1 395 40 40 ALA CB C 20.050 0.300 1 396 40 40 ALA N N 124.387 0.300 1 397 41 41 ILE H H 7.757 0.030 1 398 41 41 ILE HA H 4.835 0.030 1 399 41 41 ILE HB H 1.927 0.030 1 400 41 41 ILE HD1 H 0.772 0.030 1 401 41 41 ILE HG12 H 1.591 0.030 2 402 41 41 ILE HG13 H 1.347 0.030 2 403 41 41 ILE HG2 H 0.650 0.030 1 404 41 41 ILE C C 175.744 0.300 1 405 41 41 ILE CA C 59.147 0.300 1 406 41 41 ILE CB C 37.767 0.300 1 407 41 41 ILE CD1 C 11.366 0.300 1 408 41 41 ILE CG1 C 27.347 0.300 1 409 41 41 ILE CG2 C 17.268 0.300 1 410 41 41 ILE N N 120.672 0.300 1 411 42 42 ILE H H 8.487 0.030 1 412 42 42 ILE HA H 4.547 0.030 1 413 42 42 ILE HB H 1.023 0.030 1 414 42 42 ILE HD1 H -0.778 0.030 1 415 42 42 ILE HG12 H 0.207 0.030 2 416 42 42 ILE HG13 H 0.937 0.030 2 417 42 42 ILE HG2 H 0.557 0.030 1 418 42 42 ILE C C 174.548 0.300 1 419 42 42 ILE CA C 59.741 0.300 1 420 42 42 ILE CB C 42.035 0.300 1 421 42 42 ILE CD1 C 13.621 0.300 1 422 42 42 ILE CG1 C 27.823 0.300 1 423 42 42 ILE CG2 C 18.546 0.300 1 424 42 42 ILE N N 126.256 0.300 1 425 43 43 TYR H H 8.790 0.030 1 426 43 43 TYR HA H 4.507 0.030 1 427 43 43 TYR HB2 H 2.161 0.030 2 428 43 43 TYR HB3 H 2.902 0.030 2 429 43 43 TYR HD1 H 6.199 0.030 1 430 43 43 TYR HD2 H 6.199 0.030 1 431 43 43 TYR HE1 H 6.262 0.030 1 432 43 43 TYR HE2 H 6.262 0.030 1 433 43 43 TYR C C 175.599 0.300 1 434 43 43 TYR CA C 57.454 0.300 1 435 43 43 TYR CB C 39.448 0.300 1 436 43 43 TYR CD1 C 132.726 0.300 1 437 43 43 TYR CD2 C 132.726 0.300 1 438 43 43 TYR CE1 C 117.656 0.300 1 439 43 43 TYR CE2 C 117.656 0.300 1 440 43 43 TYR N N 125.196 0.300 1 441 44 44 VAL H H 9.263 0.030 1 442 44 44 VAL HA H 4.327 0.030 1 443 44 44 VAL HB H 2.246 0.030 1 444 44 44 VAL HG1 H 0.770 0.030 1 445 44 44 VAL HG2 H 1.209 0.030 1 446 44 44 VAL C C 175.726 0.300 1 447 44 44 VAL CA C 64.435 0.300 1 448 44 44 VAL CB C 32.575 0.300 1 449 44 44 VAL CG1 C 21.823 0.300 2 450 44 44 VAL CG2 C 24.849 0.300 2 451 44 44 VAL N N 125.541 0.300 1 452 45 45 ILE H H 9.373 0.030 1 453 45 45 ILE HA H 4.741 0.030 1 454 45 45 ILE HB H 2.186 0.030 1 455 45 45 ILE HD1 H 0.920 0.030 1 456 45 45 ILE HG12 H 1.455 0.030 2 457 45 45 ILE HG13 H 1.056 0.030 2 458 45 45 ILE HG2 H 1.143 0.030 1 459 45 45 ILE C C 175.503 0.300 1 460 45 45 ILE CA C 61.615 0.300 1 461 45 45 ILE CB C 39.840 0.300 1 462 45 45 ILE CD1 C 13.457 0.300 1 463 45 45 ILE CG1 C 26.483 0.300 1 464 45 45 ILE CG2 C 18.236 0.300 1 465 45 45 ILE N N 122.260 0.300 1 466 46 46 LYS H H 7.883 0.030 1 467 46 46 LYS HA H 4.399 0.030 1 468 46 46 LYS HB2 H 1.785 0.030 1 469 46 46 LYS HB3 H 1.785 0.030 1 470 46 46 LYS HD2 H 1.711 0.030 1 471 46 46 LYS HD3 H 1.711 0.030 1 472 46 46 LYS HE2 H 3.018 0.030 1 473 46 46 LYS HE3 H 3.018 0.030 1 474 46 46 LYS HG2 H 1.373 0.030 1 475 46 46 LYS HG3 H 1.373 0.030 1 476 46 46 LYS C C 173.615 0.300 1 477 46 46 LYS CA C 56.968 0.300 1 478 46 46 LYS CB C 37.025 0.300 1 479 46 46 LYS CD C 29.494 0.300 1 480 46 46 LYS CE C 42.101 0.300 1 481 46 46 LYS CG C 25.209 0.300 1 482 46 46 LYS N N 121.900 0.300 1 483 47 47 LYS H H 8.629 0.030 1 484 47 47 LYS HA H 4.432 0.030 1 485 47 47 LYS HB2 H 1.534 0.030 2 486 47 47 LYS HB3 H 1.482 0.030 2 487 47 47 LYS HD2 H 1.297 0.030 2 488 47 47 LYS HD3 H 1.363 0.030 2 489 47 47 LYS HE2 H 2.314 0.030 1 490 47 47 LYS HE3 H 2.314 0.030 1 491 47 47 LYS HG2 H -0.143 0.030 2 492 47 47 LYS HG3 H 0.680 0.030 2 493 47 47 LYS C C 174.950 0.300 1 494 47 47 LYS CA C 55.887 0.300 1 495 47 47 LYS CB C 34.200 0.300 1 496 47 47 LYS CD C 29.459 0.300 1 497 47 47 LYS CE C 42.349 0.300 1 498 47 47 LYS CG C 24.827 0.300 1 499 47 47 LYS N N 123.554 0.300 1 500 48 48 ASN H H 8.390 0.030 1 501 48 48 ASN HA H 5.061 0.030 1 502 48 48 ASN HB2 H 3.460 0.030 2 503 48 48 ASN HB3 H 2.943 0.030 2 504 48 48 ASN HD21 H 7.073 0.030 2 505 48 48 ASN HD22 H 7.181 0.030 2 506 48 48 ASN C C 177.344 0.300 1 507 48 48 ASN CA C 52.611 0.300 1 508 48 48 ASN CB C 40.464 0.300 1 509 48 48 ASN N N 121.248 0.300 1 510 48 48 ASN ND2 N 111.046 0.300 1 511 49 49 ASP HA H 4.479 0.030 1 512 49 49 ASP HB2 H 2.794 0.030 2 513 49 49 ASP HB3 H 2.720 0.030 2 514 49 49 ASP C C 176.171 0.300 1 515 49 49 ASP CA C 56.536 0.300 1 516 49 49 ASP CB C 40.413 0.300 1 517 50 50 ASP H H 8.054 0.030 1 518 50 50 ASP HA H 4.601 0.030 1 519 50 50 ASP HB2 H 2.700 0.030 2 520 50 50 ASP HB3 H 3.137 0.030 2 521 50 50 ASP C C 177.222 0.300 1 522 50 50 ASP CA C 53.505 0.300 1 523 50 50 ASP CB C 40.212 0.300 1 524 50 50 ASP N N 117.254 0.300 1 525 51 51 GLY H H 8.047 0.030 1 526 51 51 GLY HA2 H 3.769 0.030 2 527 51 51 GLY HA3 H 4.283 0.030 2 528 51 51 GLY C C 174.578 0.300 1 529 51 51 GLY CA C 45.370 0.300 1 530 51 51 GLY N N 106.520 0.300 1 531 52 52 TRP H H 8.066 0.030 1 532 52 52 TRP HA H 4.465 0.030 1 533 52 52 TRP HB2 H 2.889 0.030 2 534 52 52 TRP HB3 H 3.398 0.030 2 535 52 52 TRP HD1 H 7.071 0.030 1 536 52 52 TRP HE1 H 10.097 0.030 1 537 52 52 TRP HE3 H 7.190 0.030 1 538 52 52 TRP HH2 H 7.338 0.030 1 539 52 52 TRP HZ2 H 7.479 0.030 1 540 52 52 TRP HZ3 H 6.702 0.030 1 541 52 52 TRP C C 175.083 0.300 1 542 52 52 TRP CA C 57.897 0.300 1 543 52 52 TRP CB C 28.593 0.300 1 544 52 52 TRP CD1 C 126.966 0.300 1 545 52 52 TRP CE3 C 119.370 0.300 1 546 52 52 TRP CH2 C 125.707 0.300 1 547 52 52 TRP CZ2 C 114.632 0.300 1 548 52 52 TRP CZ3 C 120.614 0.300 1 549 52 52 TRP N N 122.070 0.300 1 550 52 52 TRP NE1 N 130.085 0.300 1 551 53 53 TYR H H 9.040 0.030 1 552 53 53 TYR HA H 5.190 0.030 1 553 53 53 TYR HB2 H 2.620 0.030 2 554 53 53 TYR HB3 H 1.827 0.030 2 555 53 53 TYR HD1 H 6.898 0.030 1 556 53 53 TYR HD2 H 6.898 0.030 1 557 53 53 TYR HE1 H 6.835 0.030 1 558 53 53 TYR HE2 H 6.835 0.030 1 559 53 53 TYR C C 173.659 0.300 1 560 53 53 TYR CA C 52.209 0.300 1 561 53 53 TYR CB C 39.579 0.300 1 562 53 53 TYR CD1 C 130.462 0.300 1 563 53 53 TYR CD2 C 130.462 0.300 1 564 53 53 TYR CE1 C 118.292 0.300 1 565 53 53 TYR CE2 C 118.292 0.300 1 566 53 53 TYR N N 123.096 0.300 1 567 54 54 GLU H H 8.750 0.030 1 568 54 54 GLU HA H 5.158 0.030 1 569 54 54 GLU HB2 H 2.088 0.030 2 570 54 54 GLU HB3 H 1.765 0.030 2 571 54 54 GLU HG2 H 2.086 0.030 2 572 54 54 GLU HG3 H 2.043 0.030 2 573 54 54 GLU C C 177.077 0.300 1 574 54 54 GLU CA C 54.880 0.300 1 575 54 54 GLU CB C 33.462 0.300 1 576 54 54 GLU CG C 36.993 0.300 1 577 54 54 GLU N N 119.048 0.300 1 578 55 55 GLY H H 9.481 0.030 1 579 55 55 GLY HA2 H 3.896 0.030 2 580 55 55 GLY HA3 H 5.491 0.030 2 581 55 55 GLY C C 169.554 0.300 1 582 55 55 GLY CA C 45.777 0.300 1 583 55 55 GLY N N 113.206 0.300 1 584 56 56 VAL H H 9.056 0.030 1 585 56 56 VAL HA H 5.233 0.030 1 586 56 56 VAL HB H 2.114 0.030 1 587 56 56 VAL HG1 H 1.095 0.030 1 588 56 56 VAL HG2 H 1.213 0.030 1 589 56 56 VAL C C 175.258 0.300 1 590 56 56 VAL CA C 60.776 0.300 1 591 56 56 VAL CB C 35.047 0.300 1 592 56 56 VAL CG1 C 21.536 0.300 2 593 56 56 VAL CG2 C 21.086 0.300 2 594 56 56 VAL N N 118.184 0.300 1 595 57 57 MET H H 9.182 0.030 1 596 57 57 MET HA H 4.631 0.030 1 597 57 57 MET HB2 H 1.697 0.030 2 598 57 57 MET HB3 H 2.182 0.030 2 599 57 57 MET HE H 2.234 0.030 1 600 57 57 MET HG2 H 2.334 0.030 2 601 57 57 MET HG3 H 2.514 0.030 2 602 57 57 MET C C 175.061 0.300 1 603 57 57 MET CA C 55.519 0.300 1 604 57 57 MET CB C 36.299 0.300 1 605 57 57 MET CE C 17.141 0.300 1 606 57 57 MET CG C 31.601 0.300 1 607 57 57 MET N N 127.487 0.300 1 608 58 58 ASN H H 6.549 0.030 1 609 58 58 ASN HA H 2.710 0.030 1 610 58 58 ASN HB2 H 2.395 0.030 2 611 58 58 ASN HB3 H 2.783 0.030 2 612 58 58 ASN HD21 H 7.451 0.030 2 613 58 58 ASN HD22 H 6.815 0.030 2 614 58 58 ASN C C 174.076 0.300 1 615 58 58 ASN CA C 53.925 0.300 1 616 58 58 ASN CB C 36.119 0.300 1 617 58 58 ASN N N 122.319 0.300 1 618 58 58 ASN ND2 N 110.741 0.300 1 619 59 59 GLY H H 5.679 0.030 1 620 59 59 GLY HA2 H 3.465 0.030 2 621 59 59 GLY HA3 H 4.003 0.030 2 622 59 59 GLY C C 172.888 0.300 1 623 59 59 GLY CA C 45.255 0.300 1 624 59 59 GLY N N 100.017 0.300 1 625 60 60 VAL H H 7.638 0.030 1 626 60 60 VAL HA H 4.324 0.030 1 627 60 60 VAL HB H 2.142 0.030 1 628 60 60 VAL HG1 H 0.980 0.030 1 629 60 60 VAL HG2 H 0.910 0.030 1 630 60 60 VAL C C 174.112 0.300 1 631 60 60 VAL CA C 61.669 0.300 1 632 60 60 VAL CB C 33.882 0.300 1 633 60 60 VAL CG1 C 21.641 0.300 2 634 60 60 VAL CG2 C 21.064 0.300 2 635 60 60 VAL N N 122.827 0.300 1 636 61 61 THR H H 8.451 0.030 1 637 61 61 THR HA H 5.678 0.030 1 638 61 61 THR HB H 4.043 0.030 1 639 61 61 THR HG2 H 1.250 0.030 1 640 61 61 THR C C 175.198 0.300 1 641 61 61 THR CA C 61.030 0.300 1 642 61 61 THR CB C 70.433 0.300 1 643 61 61 THR CG2 C 21.584 0.300 1 644 61 61 THR N N 121.278 0.300 1 645 62 62 GLY H H 9.097 0.030 1 646 62 62 GLY HA2 H 3.967 0.030 2 647 62 62 GLY HA3 H 4.544 0.030 2 648 62 62 GLY C C 171.361 0.300 1 649 62 62 GLY CA C 46.207 0.300 1 650 62 62 GLY N N 111.784 0.300 1 651 63 63 LEU H H 8.734 0.030 1 652 63 63 LEU HA H 5.862 0.030 1 653 63 63 LEU HB2 H 1.703 0.030 1 654 63 63 LEU HB3 H 1.703 0.030 1 655 63 63 LEU HD1 H 0.719 0.030 1 656 63 63 LEU HD2 H 0.797 0.030 1 657 63 63 LEU HG H 1.763 0.030 1 658 63 63 LEU C C 178.140 0.300 1 659 63 63 LEU CA C 54.481 0.300 1 660 63 63 LEU CB C 46.021 0.300 1 661 63 63 LEU CD1 C 25.510 0.300 2 662 63 63 LEU CD2 C 23.747 0.300 2 663 63 63 LEU CG C 28.011 0.300 1 664 63 63 LEU N N 120.601 0.300 1 665 64 64 PHE H H 8.998 0.030 1 666 64 64 PHE HA H 4.848 0.030 1 667 64 64 PHE HB2 H 3.430 0.030 2 668 64 64 PHE HB3 H 2.508 0.030 2 669 64 64 PHE HD1 H 7.037 0.030 1 670 64 64 PHE HD2 H 7.037 0.030 1 671 64 64 PHE HE1 H 6.936 0.030 1 672 64 64 PHE HE2 H 6.936 0.030 1 673 64 64 PHE HZ H 6.971 0.030 1 674 64 64 PHE C C 170.518 0.300 1 675 64 64 PHE CA C 56.256 0.300 1 676 64 64 PHE CB C 38.324 0.300 1 677 64 64 PHE CD1 C 134.017 0.300 1 678 64 64 PHE CD2 C 134.017 0.300 1 679 64 64 PHE CE1 C 130.080 0.300 1 680 64 64 PHE CE2 C 130.080 0.300 1 681 64 64 PHE CZ C 128.259 0.300 1 682 64 64 PHE N N 114.467 0.300 1 683 65 65 PRO HA H 3.252 0.030 1 684 65 65 PRO HB2 H 1.217 0.030 2 685 65 65 PRO HB3 H 1.574 0.030 2 686 65 65 PRO HD2 H 2.338 0.030 2 687 65 65 PRO HD3 H 2.057 0.030 2 688 65 65 PRO HG2 H 0.968 0.030 2 689 65 65 PRO HG3 H 0.347 0.030 2 690 65 65 PRO C C 178.378 0.300 1 691 65 65 PRO CA C 62.010 0.300 1 692 65 65 PRO CB C 30.515 0.300 1 693 65 65 PRO CD C 49.575 0.300 1 694 65 65 PRO CG C 27.434 0.300 1 695 66 66 GLY H H 7.949 0.030 1 696 66 66 GLY HA2 H 2.662 0.030 2 697 66 66 GLY HA3 H 2.507 0.030 2 698 66 66 GLY C C 173.951 0.300 1 699 66 66 GLY CA C 45.467 0.300 1 700 66 66 GLY N N 111.713 0.300 1 701 67 67 ASN H H 8.117 0.030 1 702 67 67 ASN HA H 4.737 0.030 1 703 67 67 ASN HB2 H 2.682 0.030 2 704 67 67 ASN HB3 H 2.978 0.030 2 705 67 67 ASN HD21 H 6.575 0.030 2 706 67 67 ASN HD22 H 7.493 0.030 2 707 67 67 ASN C C 175.423 0.300 1 708 67 67 ASN CA C 53.752 0.300 1 709 67 67 ASN CB C 36.324 0.300 1 710 67 67 ASN N N 113.073 0.300 1 711 67 67 ASN ND2 N 112.230 0.300 1 712 68 68 TYR H H 7.826 0.030 1 713 68 68 TYR HA H 4.591 0.030 1 714 68 68 TYR HB2 H 3.329 0.030 2 715 68 68 TYR HB3 H 3.681 0.030 2 716 68 68 TYR HD1 H 7.153 0.030 1 717 68 68 TYR HD2 H 7.153 0.030 1 718 68 68 TYR HE1 H 6.997 0.030 1 719 68 68 TYR HE2 H 6.997 0.030 1 720 68 68 TYR C C 174.873 0.300 1 721 68 68 TYR CA C 59.302 0.300 1 722 68 68 TYR CB C 38.160 0.300 1 723 68 68 TYR CD1 C 132.611 0.300 1 724 68 68 TYR CD2 C 132.611 0.300 1 725 68 68 TYR CE1 C 118.395 0.300 1 726 68 68 TYR CE2 C 118.395 0.300 1 727 68 68 TYR N N 119.215 0.300 1 728 69 69 VAL H H 7.420 0.030 1 729 69 69 VAL HA H 5.386 0.030 1 730 69 69 VAL HB H 1.841 0.030 1 731 69 69 VAL HG1 H 0.470 0.030 1 732 69 69 VAL HG2 H 1.043 0.030 1 733 69 69 VAL C C 173.723 0.300 1 734 69 69 VAL CA C 58.379 0.300 1 735 69 69 VAL CB C 36.161 0.300 1 736 69 69 VAL CG1 C 21.986 0.300 2 737 69 69 VAL CG2 C 18.268 0.300 2 738 69 69 VAL N N 109.151 0.300 1 739 70 70 GLU H H 8.836 0.030 1 740 70 70 GLU HA H 4.790 0.030 1 741 70 70 GLU HB2 H 1.867 0.030 1 742 70 70 GLU HB3 H 1.867 0.030 1 743 70 70 GLU HG2 H 2.186 0.030 1 744 70 70 GLU HG3 H 2.186 0.030 1 745 70 70 GLU C C 175.321 0.300 1 746 70 70 GLU CA C 54.387 0.300 1 747 70 70 GLU CB C 33.976 0.300 1 748 70 70 GLU CG C 36.126 0.300 1 749 70 70 GLU N N 118.913 0.300 1 750 71 71 SER H H 8.731 0.030 1 751 71 71 SER HA H 4.399 0.030 1 752 71 71 SER HB2 H 3.843 0.030 1 753 71 71 SER HB3 H 3.843 0.030 1 754 71 71 SER C C 175.300 0.300 1 755 71 71 SER CA C 60.345 0.300 1 756 71 71 SER CB C 63.487 0.300 1 757 71 71 SER N N 118.109 0.300 1 758 72 72 ILE H H 8.850 0.030 1 759 72 72 ILE HA H 4.389 0.030 1 760 72 72 ILE HB H 1.804 0.030 1 761 72 72 ILE HD1 H 0.713 0.030 1 762 72 72 ILE HG12 H 1.291 0.030 2 763 72 72 ILE HG13 H 0.898 0.030 2 764 72 72 ILE HG2 H 0.866 0.030 1 765 72 72 ILE C C 176.058 0.300 1 766 72 72 ILE CA C 61.791 0.300 1 767 72 72 ILE CB C 39.497 0.300 1 768 72 72 ILE CD1 C 13.930 0.300 1 769 72 72 ILE CG1 C 27.352 0.300 1 770 72 72 ILE CG2 C 17.759 0.300 1 771 72 72 ILE N N 122.113 0.300 1 772 73 73 SER H H 8.283 0.030 1 773 73 73 SER HA H 4.634 0.030 1 774 73 73 SER HB2 H 4.015 0.030 2 775 73 73 SER HB3 H 3.869 0.030 2 776 73 73 SER C C 173.963 0.300 1 777 73 73 SER CA C 58.618 0.300 1 778 73 73 SER CB C 64.876 0.300 1 779 73 73 SER N N 117.528 0.300 1 780 74 74 GLY H H 8.293 0.030 1 781 74 74 GLY HA2 H 4.100 0.030 2 782 74 74 GLY HA3 H 4.373 0.030 2 783 74 74 GLY C C 171.700 0.300 1 784 74 74 GLY CA C 44.564 0.300 1 785 74 74 GLY N N 108.970 0.300 1 786 75 75 PRO HA H 4.340 0.030 1 787 75 75 PRO HB2 H 1.964 0.030 2 788 75 75 PRO HB3 H 2.364 0.030 2 789 75 75 PRO HD2 H 3.687 0.030 2 790 75 75 PRO HD3 H 3.633 0.030 2 791 75 75 PRO HG2 H 2.056 0.030 2 792 75 75 PRO HG3 H 1.985 0.030 2 793 75 75 PRO C C 177.461 0.300 1 794 75 75 PRO CA C 63.236 0.300 1 795 75 75 PRO CB C 32.740 0.300 1 796 75 75 PRO CD C 49.962 0.300 1 797 75 75 PRO CG C 27.074 0.300 1 798 76 76 SER H H 7.959 0.030 1 799 76 76 SER HA H 4.313 0.030 1 800 76 76 SER HB2 H 3.247 0.030 2 801 76 76 SER HB3 H 3.744 0.030 2 802 76 76 SER C C 174.715 0.300 1 803 76 76 SER CA C 58.142 0.300 1 804 76 76 SER CB C 63.659 0.300 1 805 76 76 SER N N 115.179 0.300 1 806 77 77 SER HA H 4.526 0.030 1 807 77 77 SER HB2 H 3.906 0.030 1 808 77 77 SER HB3 H 3.906 0.030 1 809 77 77 SER CA C 58.334 0.300 1 810 77 77 SER CB C 64.185 0.300 1 811 78 78 GLY H H 7.987 0.030 1 812 78 78 GLY HA2 H 3.764 0.030 1 813 78 78 GLY HA3 H 3.764 0.030 1 814 78 78 GLY CA C 46.249 0.300 1 815 78 78 GLY N N 117.013 0.300 1 stop_ save_