data_15351 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of first SH3 domain of adaptor Nck ; _BMRB_accession_number 15351 _BMRB_flat_file_name bmr15351.str _Entry_type original _Submission_date 2007-06-29 _Accession_date 2007-06-29 _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 Hake Michael J. . 2 Choowongkomon Kiattawee . . 3 Carlin Cathleen R. . 4 Sonnichsen Frank D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 381 "13C chemical shifts" 281 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-03 update BMRB 'complete entry citation' 2008-02-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Specificity Determinants of a Novel Nck Interaction with the Juxtamembrane Domain of the Epidermal Growth Factor Receptor' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18269246 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hake Michael J. . 2 Choowongkomon Kiattawee . . 3 Kostenko Olga . . 4 Carlin Cathleen . . 5 Sonnichsen Frank D. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 47 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3096 _Page_last 3108 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Nck1-1 SH3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Nck1-1 SH3' $Nck1-1 stop_ _System_molecular_weight 7461.453 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'single chain' save_ ######################## # Monomeric polymers # ######################## save_Nck1-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nck1-1 _Molecular_mass 7461.453 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; GSMAEEVVVVAKFDYVAQQE QELDIKKNERLWLLDDSKSW WRVRNSMNKTGFVPSNYVER KNS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 SER 3 1 MET 4 2 ALA 5 3 GLU 6 4 GLU 7 5 VAL 8 6 VAL 9 7 VAL 10 8 VAL 11 9 ALA 12 10 LYS 13 11 PHE 14 12 ASP 15 13 TYR 16 14 VAL 17 15 ALA 18 16 GLN 19 17 GLN 20 18 GLU 21 19 GLN 22 20 GLU 23 21 LEU 24 22 ASP 25 23 ILE 26 24 LYS 27 25 LYS 28 26 ASN 29 27 GLU 30 28 ARG 31 29 LEU 32 30 TRP 33 31 LEU 34 32 LEU 35 33 ASP 36 34 ASP 37 35 SER 38 36 LYS 39 37 SER 40 38 TRP 41 39 TRP 42 40 ARG 43 41 VAL 44 42 ARG 45 43 ASN 46 44 SER 47 45 MET 48 46 ASN 49 47 LYS 50 48 THR 51 49 GLY 52 50 PHE 53 51 VAL 54 52 PRO 55 53 SER 56 54 ASN 57 55 TYR 58 56 VAL 59 57 GLU 60 58 ARG 61 59 LYS 62 60 ASN 63 61 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 2JS2 "Solution Structure Of First Sh3 Domain Of Adaptor Nck" 100.00 63 100.00 100.00 1.11e-36 DBJ BAG35571 "unnamed protein product [Homo sapiens]" 96.83 377 100.00 100.00 8.57e-33 DBJ BAG73433 "NCK adaptor protein 1 [synthetic construct]" 96.83 377 100.00 100.00 9.30e-33 DBJ BAK63238 "cytoplasmic protein NCK1 [Pan troglodytes]" 96.83 377 100.00 100.00 9.30e-33 EMBL CAA35599 "unnamed protein product [Homo sapiens]" 96.83 377 100.00 100.00 9.30e-33 GB AAD13752 "SH2/SH3 adaptor protein [Mus musculus]" 96.83 377 98.36 98.36 5.83e-32 GB AAH02015 "Non-catalytic region of tyrosine kinase adaptor protein 1 [Mus musculus]" 96.83 377 100.00 100.00 8.06e-33 GB AAH06403 "NCK adaptor protein 1 [Homo sapiens]" 96.83 377 100.00 100.00 9.30e-33 GB AAI16110 "NCK adaptor protein 1 [Bos taurus]" 96.83 377 98.36 100.00 4.52e-32 GB AAI67009 "Nck1 protein [Rattus norvegicus]" 96.83 377 100.00 100.00 8.74e-33 REF NP_001069540 "cytoplasmic protein NCK1 [Bos taurus]" 96.83 377 98.36 100.00 4.52e-32 REF NP_001100321 "cytoplasmic protein NCK1 [Rattus norvegicus]" 96.83 377 100.00 100.00 8.74e-33 REF NP_001131102 "cytoplasmic protein NCK1 [Sus scrofa]" 96.83 377 100.00 100.00 8.14e-33 REF NP_001159671 "cytoplasmic protein NCK1 [Ovis aries]" 96.83 377 100.00 100.00 7.73e-33 REF NP_001233509 "cytoplasmic protein NCK1 [Pan troglodytes]" 96.83 377 100.00 100.00 9.30e-33 SP P16333 "RecName: Full=Cytoplasmic protein NCK1; AltName: Full=NCK adaptor protein 1; Short=Nck-1; AltName: Full=SH2/SH3 adaptor protein" 96.83 377 100.00 100.00 9.30e-33 SP Q99M51 "RecName: Full=Cytoplasmic protein NCK1; AltName: Full=NCK adaptor protein 1; Short=Nck-1" 96.83 377 100.00 100.00 8.06e-33 TPG DAA33097 "TPA: NCK adaptor protein 1 [Bos taurus]" 96.83 377 98.36 100.00 4.52e-32 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Nck1-1 Human 9606 Eukaryota Metazoa Homo sapiens nck1 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 $Nck1-1 'recombinant technology' . Escherichia coli 'BL21 DE3' pGEV2 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Nck1-1 . mM 0.5 1.0 '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium azide' 2 mM . . 'natural abundance' EDTA 1 mM . . 'natural abundance' H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.1 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'water refinement' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _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' 100 20 mM pH 6.1 0.2 pH pressure 1 . atm temperature 310 . 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 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $CYANA stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNHB' 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 'Nck1-1 SH3' _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 SER HA H 4.506 0.020 1 2 2 2 SER HB2 H 3.867 0.020 2 3 2 2 SER HB3 H 3.867 0.020 2 4 2 2 SER C C 174.490 0.400 1 5 2 2 SER CA C 58.350 0.400 1 6 2 2 SER CB C 64.014 0.400 1 7 3 3 MET H H 8.445 0.020 1 8 3 3 MET HA H 4.483 0.020 1 9 3 3 MET HB2 H 2.104 0.020 2 10 3 3 MET HB3 H 2.000 0.020 2 11 3 3 MET HG2 H 2.586 0.020 2 12 3 3 MET HG3 H 2.535 0.020 2 13 3 3 MET C C 175.818 0.400 1 14 3 3 MET CA C 55.608 0.400 1 15 3 3 MET CB C 32.991 0.400 1 16 3 3 MET CG C 32.118 0.400 1 17 3 3 MET N N 122.226 0.400 1 18 4 4 ALA H H 8.261 0.020 1 19 4 4 ALA HA H 4.303 0.020 1 20 4 4 ALA HB H 1.369 0.020 1 21 4 4 ALA C C 177.318 0.400 1 22 4 4 ALA CA C 52.656 0.400 1 23 4 4 ALA CB C 19.138 0.400 1 24 4 4 ALA N N 124.992 0.400 1 25 5 5 GLU H H 8.123 0.020 1 26 5 5 GLU HA H 4.296 0.020 1 27 5 5 GLU HB2 H 2.032 0.020 2 28 5 5 GLU HB3 H 1.926 0.020 2 29 5 5 GLU HG2 H 2.240 0.020 2 30 5 5 GLU HG3 H 2.240 0.020 2 31 5 5 GLU C C 176.094 0.400 1 32 5 5 GLU CA C 56.284 0.400 1 33 5 5 GLU CB C 30.640 0.400 1 34 5 5 GLU CG C 36.344 0.400 1 35 5 5 GLU N N 119.435 0.400 1 36 6 6 GLU H H 8.352 0.020 1 37 6 6 GLU HA H 4.438 0.020 1 38 6 6 GLU HB2 H 2.090 0.020 2 39 6 6 GLU HB3 H 2.022 0.020 2 40 6 6 GLU HG2 H 2.242 0.020 2 41 6 6 GLU HG3 H 2.242 0.020 2 42 6 6 GLU C C 175.915 0.400 1 43 6 6 GLU CA C 56.477 0.400 1 44 6 6 GLU CB C 30.861 0.400 1 45 6 6 GLU CG C 36.528 0.400 1 46 6 6 GLU N N 122.079 0.400 1 47 7 7 VAL H H 8.389 0.020 1 48 7 7 VAL HA H 4.197 0.020 1 49 7 7 VAL HB H 2.073 0.020 1 50 7 7 VAL HG1 H 0.938 0.020 2 51 7 7 VAL HG2 H 0.867 0.020 2 52 7 7 VAL C C 174.610 0.400 1 53 7 7 VAL CA C 62.313 0.400 1 54 7 7 VAL CB C 33.693 0.400 1 55 7 7 VAL CG1 C 21.357 0.400 1 56 7 7 VAL CG2 C 21.888 0.400 1 57 7 7 VAL N N 123.069 0.400 1 58 8 8 VAL H H 8.300 0.020 1 59 8 8 VAL HA H 4.419 0.020 1 60 8 8 VAL HB H 1.769 0.020 1 61 8 8 VAL HG1 H 0.586 0.020 1 62 8 8 VAL HG2 H 0.604 0.020 1 63 8 8 VAL C C 176.218 0.400 1 64 8 8 VAL CA C 61.982 0.400 1 65 8 8 VAL CB C 32.984 0.400 1 66 8 8 VAL CG1 C 21.192 0.400 1 67 8 8 VAL CG2 C 21.827 0.400 1 68 8 8 VAL N N 126.878 0.400 1 69 9 9 VAL H H 8.847 0.020 1 70 9 9 VAL HA H 4.983 0.020 1 71 9 9 VAL HB H 1.989 0.020 1 72 9 9 VAL HG1 H 0.918 0.020 1 73 9 9 VAL HG2 H 0.708 0.020 1 74 9 9 VAL C C 173.424 0.400 1 75 9 9 VAL CA C 58.271 0.400 1 76 9 9 VAL CB C 35.366 0.400 1 77 9 9 VAL CG1 C 23.306 0.400 1 78 9 9 VAL CG2 C 19.740 0.400 1 79 9 9 VAL N N 119.355 0.400 1 80 10 10 VAL H H 8.572 0.020 1 81 10 10 VAL HA H 5.010 0.020 1 82 10 10 VAL HB H 1.735 0.020 1 83 10 10 VAL HG1 H 0.770 0.020 2 84 10 10 VAL HG2 H 0.770 0.020 2 85 10 10 VAL C C 176.616 0.400 1 86 10 10 VAL CA C 59.701 0.400 1 87 10 10 VAL CB C 35.271 0.400 1 88 10 10 VAL CG1 C 21.190 0.400 1 89 10 10 VAL CG2 C 21.188 0.400 1 90 10 10 VAL N N 118.586 0.400 1 91 11 11 ALA H H 8.717 0.020 1 92 11 11 ALA HA H 4.575 0.020 1 93 11 11 ALA HB H 1.591 0.020 1 94 11 11 ALA C C 178.451 0.400 1 95 11 11 ALA CA C 52.742 0.400 1 96 11 11 ALA CB C 19.987 0.400 1 97 11 11 ALA N N 128.321 0.400 1 98 12 12 LYS H H 9.322 0.020 1 99 12 12 LYS HA H 3.870 0.020 1 100 12 12 LYS HB2 H 0.896 0.020 2 101 12 12 LYS HB3 H 0.798 0.020 2 102 12 12 LYS HD2 H 1.345 0.020 2 103 12 12 LYS HD3 H 1.293 0.020 2 104 12 12 LYS HE2 H 2.570 0.020 2 105 12 12 LYS HE3 H 2.570 0.020 2 106 12 12 LYS HG2 H 0.970 0.020 2 107 12 12 LYS HG3 H 0.970 0.020 2 108 12 12 LYS C C 174.646 0.400 1 109 12 12 LYS CA C 57.358 0.400 1 110 12 12 LYS CB C 33.957 0.400 1 111 12 12 LYS CD C 29.050 0.400 1 112 12 12 LYS CE C 41.398 0.400 1 113 12 12 LYS CG C 29.433 0.400 1 114 12 12 LYS N N 126.342 0.400 1 115 13 13 PHE H H 7.136 0.020 1 116 13 13 PHE HA H 4.783 0.020 1 117 13 13 PHE HB2 H 2.506 0.020 1 118 13 13 PHE HB3 H 3.347 0.020 1 119 13 13 PHE HD1 H 6.768 0.020 1 120 13 13 PHE HD2 H 6.768 0.020 1 121 13 13 PHE HE1 H 7.078 0.020 1 122 13 13 PHE HE2 H 7.078 0.020 1 123 13 13 PHE HZ H 6.948 0.020 1 124 13 13 PHE C C 173.489 0.400 1 125 13 13 PHE CA C 53.769 0.400 1 126 13 13 PHE CB C 43.743 0.400 1 127 13 13 PHE CD1 C 132.670 0.400 1 128 13 13 PHE CD2 C 132.671 0.400 1 129 13 13 PHE CE1 C 130.880 0.400 1 130 13 13 PHE CE2 C 130.881 0.400 1 131 13 13 PHE CZ C 132.230 0.400 1 132 13 13 PHE N N 111.722 0.400 1 133 14 14 ASP H H 8.261 0.020 1 134 14 14 ASP HA H 4.808 0.020 1 135 14 14 ASP HB2 H 2.621 0.020 1 136 14 14 ASP HB3 H 2.757 0.020 1 137 14 14 ASP C C 176.270 0.400 1 138 14 14 ASP CA C 54.655 0.400 1 139 14 14 ASP CB C 41.629 0.400 1 140 14 14 ASP N N 117.174 0.400 1 141 15 15 TYR H H 8.835 0.020 1 142 15 15 TYR HA H 4.728 0.020 1 143 15 15 TYR HB2 H 2.950 0.020 2 144 15 15 TYR HB3 H 2.910 0.020 2 145 15 15 TYR HD1 H 7.080 0.020 1 146 15 15 TYR HD2 H 7.080 0.020 1 147 15 15 TYR HE1 H 6.880 0.020 1 148 15 15 TYR HE2 H 6.880 0.020 1 149 15 15 TYR C C 173.640 0.400 1 150 15 15 TYR CA C 59.438 0.400 1 151 15 15 TYR CB C 41.606 0.400 1 152 15 15 TYR CD1 C 132.850 0.400 1 153 15 15 TYR CD2 C 132.851 0.400 1 154 15 15 TYR CE1 C 117.670 0.400 1 155 15 15 TYR CE2 C 117.671 0.400 1 156 15 15 TYR N N 121.041 0.400 1 157 16 16 VAL H H 7.101 0.020 1 158 16 16 VAL HA H 4.160 0.020 1 159 16 16 VAL HB H 1.605 0.020 1 160 16 16 VAL HG1 H 0.802 0.020 1 161 16 16 VAL HG2 H 0.848 0.020 1 162 16 16 VAL C C 174.430 0.400 1 163 16 16 VAL CA C 60.679 0.400 1 164 16 16 VAL CB C 32.472 0.400 1 165 16 16 VAL CG1 C 20.740 0.400 1 166 16 16 VAL CG2 C 20.735 0.400 1 167 16 16 VAL N N 129.116 0.400 1 168 17 17 ALA H H 8.625 0.020 1 169 17 17 ALA HA H 4.204 0.020 1 170 17 17 ALA HB H 1.290 0.020 1 171 17 17 ALA C C 178.947 0.400 1 172 17 17 ALA CA C 53.276 0.400 1 173 17 17 ALA CB C 19.878 0.400 1 174 17 17 ALA N N 128.849 0.400 1 175 18 18 GLN H H 9.036 0.020 1 176 18 18 GLN HA H 4.310 0.020 1 177 18 18 GLN HB2 H 2.319 0.020 2 178 18 18 GLN HB3 H 2.191 0.020 2 179 18 18 GLN HE21 H 7.381 0.020 2 180 18 18 GLN HE22 H 6.837 0.020 2 181 18 18 GLN HG2 H 2.546 0.020 2 182 18 18 GLN HG3 H 2.474 0.020 2 183 18 18 GLN C C 175.480 0.400 1 184 18 18 GLN CA C 55.210 0.400 1 185 18 18 GLN CB C 31.110 0.400 1 186 18 18 GLN CG C 34.067 0.400 1 187 18 18 GLN N N 120.041 0.400 1 188 18 18 GLN NE2 N 113.730 0.400 1 189 19 19 GLN H H 7.233 0.020 1 190 19 19 GLN HA H 4.593 0.020 1 191 19 19 GLN HB2 H 2.346 0.020 1 192 19 19 GLN HB3 H 1.752 0.020 1 193 19 19 GLN HG2 H 2.257 0.020 2 194 19 19 GLN HG3 H 2.220 0.020 2 195 19 19 GLN C C 176.728 0.400 1 196 19 19 GLN CA C 54.032 0.400 1 197 19 19 GLN CB C 32.346 0.400 1 198 19 19 GLN CG C 33.281 0.400 1 199 19 19 GLN N N 114.524 0.400 1 200 20 20 GLU H H 8.915 0.020 1 201 20 20 GLU HA H 4.101 0.020 1 202 20 20 GLU HB2 H 2.093 0.020 2 203 20 20 GLU HB3 H 2.093 0.020 2 204 20 20 GLU HG2 H 2.345 0.020 2 205 20 20 GLU HG3 H 2.345 0.020 2 206 20 20 GLU C C 176.823 0.400 1 207 20 20 GLU CA C 59.362 0.400 1 208 20 20 GLU CB C 29.822 0.400 1 209 20 20 GLU CG C 36.277 0.400 1 210 20 20 GLU N N 121.338 0.400 1 211 21 21 GLN H H 8.391 0.020 1 212 21 21 GLN HA H 4.529 0.020 1 213 21 21 GLN HB2 H 2.419 0.020 2 214 21 21 GLN HB3 H 2.289 0.020 2 215 21 21 GLN HG2 H 2.375 0.020 2 216 21 21 GLN HG3 H 2.375 0.020 2 217 21 21 GLN C C 176.543 0.400 1 218 21 21 GLN CA C 56.702 0.400 1 219 21 21 GLN CB C 28.089 0.400 1 220 21 21 GLN CG C 33.943 0.400 1 221 21 21 GLN N N 113.442 0.400 1 222 22 22 GLU H H 7.708 0.020 1 223 22 22 GLU HA H 5.325 0.020 1 224 22 22 GLU HB2 H 2.546 0.020 2 225 22 22 GLU HB3 H 2.360 0.020 2 226 22 22 GLU HG2 H 2.360 0.020 2 227 22 22 GLU HG3 H 2.142 0.020 2 228 22 22 GLU C C 174.695 0.400 1 229 22 22 GLU CA C 55.453 0.400 1 230 22 22 GLU CB C 32.496 0.400 1 231 22 22 GLU CG C 37.377 0.400 1 232 22 22 GLU N N 119.918 0.400 1 233 23 23 LEU H H 7.853 0.020 1 234 23 23 LEU HA H 4.666 0.020 1 235 23 23 LEU HB2 H 1.552 0.020 2 236 23 23 LEU HB3 H 0.790 0.020 2 237 23 23 LEU HD1 H 0.757 0.020 1 238 23 23 LEU HD2 H 0.653 0.020 1 239 23 23 LEU HG H 1.601 0.020 1 240 23 23 LEU C C 174.275 0.400 1 241 23 23 LEU CA C 53.227 0.400 1 242 23 23 LEU CB C 46.455 0.400 1 243 23 23 LEU CD1 C 24.289 0.400 1 244 23 23 LEU CD2 C 26.134 0.400 1 245 23 23 LEU CG C 26.263 0.400 1 246 23 23 LEU N N 122.082 0.400 1 247 24 24 ASP H H 7.555 0.020 1 248 24 24 ASP HA H 5.143 0.020 1 249 24 24 ASP HB2 H 2.713 0.020 2 250 24 24 ASP HB3 H 2.549 0.020 2 251 24 24 ASP C C 176.811 0.400 1 252 24 24 ASP CA C 54.206 0.400 1 253 24 24 ASP CB C 42.407 0.400 1 254 24 24 ASP N N 121.097 0.400 1 255 25 25 ILE H H 8.886 0.020 1 256 25 25 ILE HA H 5.110 0.020 1 257 25 25 ILE HB H 1.865 0.020 1 258 25 25 ILE HD1 H 0.896 0.020 1 259 25 25 ILE HG12 H 1.785 0.020 2 260 25 25 ILE HG13 H 1.471 0.020 2 261 25 25 ILE HG2 H 0.911 0.020 1 262 25 25 ILE C C 175.142 0.400 1 263 25 25 ILE CA C 59.778 0.400 1 264 25 25 ILE CB C 42.482 0.400 1 265 25 25 ILE CD1 C 13.109 0.400 1 266 25 25 ILE CG1 C 25.980 0.400 1 267 25 25 ILE CG2 C 19.165 0.400 1 268 25 25 ILE N N 115.761 0.400 1 269 26 26 LYS H H 8.900 0.020 1 270 26 26 LYS HA H 5.099 0.020 1 271 26 26 LYS HB2 H 1.778 0.020 2 272 26 26 LYS HB3 H 1.697 0.020 2 273 26 26 LYS HD2 H 1.679 0.020 2 274 26 26 LYS HD3 H 1.679 0.020 2 275 26 26 LYS HE2 H 2.996 0.020 2 276 26 26 LYS HE3 H 2.996 0.020 2 277 26 26 LYS HG2 H 1.465 0.020 2 278 26 26 LYS HG3 H 1.465 0.020 2 279 26 26 LYS C C 175.270 0.400 1 280 26 26 LYS CA C 53.001 0.400 1 281 26 26 LYS CB C 35.341 0.400 1 282 26 26 LYS CD C 28.868 0.400 1 283 26 26 LYS CE C 41.993 0.400 1 284 26 26 LYS CG C 24.584 0.400 1 285 26 26 LYS N N 122.987 0.400 1 286 27 27 LYS H H 8.917 0.020 1 287 27 27 LYS HA H 3.123 0.020 1 288 27 27 LYS HB2 H 1.596 0.020 2 289 27 27 LYS HB3 H 1.584 0.020 2 290 27 27 LYS HD2 H 1.691 0.020 2 291 27 27 LYS HD3 H 1.691 0.020 2 292 27 27 LYS HE2 H 3.002 0.020 2 293 27 27 LYS HE3 H 3.002 0.020 2 294 27 27 LYS HG2 H 1.166 0.020 2 295 27 27 LYS HG3 H 1.166 0.020 2 296 27 27 LYS C C 176.931 0.400 1 297 27 27 LYS CA C 59.024 0.400 1 298 27 27 LYS CB C 32.585 0.400 1 299 27 27 LYS CD C 29.615 0.400 1 300 27 27 LYS CE C 42.173 0.400 1 301 27 27 LYS CG C 24.550 0.400 1 302 27 27 LYS N N 121.187 0.400 1 303 28 28 ASN H H 8.666 0.020 1 304 28 28 ASN HA H 4.161 0.020 1 305 28 28 ASN HB2 H 3.288 0.020 2 306 28 28 ASN HB3 H 2.956 0.020 2 307 28 28 ASN HD21 H 7.542 0.020 2 308 28 28 ASN HD22 H 6.905 0.020 2 309 28 28 ASN C C 174.232 0.400 1 310 28 28 ASN CA C 55.843 0.400 1 311 28 28 ASN CB C 37.404 0.400 1 312 28 28 ASN N N 118.093 0.400 1 313 28 28 ASN ND2 N 113.140 0.400 1 314 29 29 GLU H H 8.617 0.020 1 315 29 29 GLU HA H 4.156 0.020 1 316 29 29 GLU HB2 H 2.334 0.020 2 317 29 29 GLU HB3 H 2.093 0.020 2 318 29 29 GLU HG2 H 2.330 0.020 2 319 29 29 GLU HG3 H 2.330 0.020 2 320 29 29 GLU C C 175.091 0.400 1 321 29 29 GLU CA C 57.712 0.400 1 322 29 29 GLU CB C 31.746 0.400 1 323 29 29 GLU CG C 36.220 0.400 1 324 29 29 GLU N N 123.988 0.400 1 325 30 30 ARG H H 8.379 0.020 1 326 30 30 ARG HA H 4.585 0.020 1 327 30 30 ARG HB2 H 1.643 0.020 2 328 30 30 ARG HB3 H 1.473 0.020 2 329 30 30 ARG HD2 H 3.032 0.020 2 330 30 30 ARG HD3 H 3.032 0.020 2 331 30 30 ARG HG2 H 1.213 0.020 2 332 30 30 ARG HG3 H 1.162 0.020 2 333 30 30 ARG C C 174.932 0.400 1 334 30 30 ARG CA C 56.071 0.400 1 335 30 30 ARG CB C 30.827 0.400 1 336 30 30 ARG CD C 43.375 0.400 1 337 30 30 ARG CG C 28.234 0.400 1 338 30 30 ARG N N 124.804 0.400 1 339 31 31 LEU H H 8.840 0.020 1 340 31 31 LEU HA H 4.829 0.020 1 341 31 31 LEU HB2 H 1.415 0.020 2 342 31 31 LEU HB3 H 1.328 0.020 2 343 31 31 LEU HD1 H 0.901 0.020 1 344 31 31 LEU HD2 H 0.805 0.020 1 345 31 31 LEU HG H 1.451 0.020 1 346 31 31 LEU C C 174.331 0.400 1 347 31 31 LEU CA C 53.329 0.400 1 348 31 31 LEU CB C 46.284 0.400 1 349 31 31 LEU CD1 C 24.899 0.400 1 350 31 31 LEU CD2 C 27.036 0.400 1 351 31 31 LEU CG C 27.074 0.400 1 352 31 31 LEU N N 125.418 0.400 1 353 32 32 TRP H H 9.109 0.020 1 354 32 32 TRP HA H 5.103 0.020 1 355 32 32 TRP HB2 H 3.045 0.020 2 356 32 32 TRP HB3 H 3.045 0.020 2 357 32 32 TRP HD1 H 6.975 0.020 1 358 32 32 TRP HE1 H 10.161 0.020 1 359 32 32 TRP HE3 H 7.655 0.020 1 360 32 32 TRP HH2 H 7.113 0.020 1 361 32 32 TRP HZ2 H 7.418 0.020 1 362 32 32 TRP HZ3 H 6.839 0.020 1 363 32 32 TRP C C 175.927 0.400 1 364 32 32 TRP CA C 58.427 0.400 1 365 32 32 TRP CB C 31.115 0.400 1 366 32 32 TRP CD1 C 126.630 0.400 1 367 32 32 TRP CE3 C 121.330 0.400 1 368 32 32 TRP CH2 C 123.810 0.400 1 369 32 32 TRP CZ2 C 114.410 0.400 1 370 32 32 TRP CZ3 C 121.463 0.400 1 371 32 32 TRP N N 120.909 0.400 1 372 32 32 TRP NE1 N 129.400 0.400 1 373 33 33 LEU H H 9.098 0.020 1 374 33 33 LEU HA H 4.330 0.020 1 375 33 33 LEU HB2 H 1.157 0.020 1 376 33 33 LEU HB3 H 1.902 0.020 1 377 33 33 LEU HD1 H 0.592 0.020 1 378 33 33 LEU HD2 H 0.376 0.020 1 379 33 33 LEU HG H 1.162 0.020 1 380 33 33 LEU C C 175.340 0.400 1 381 33 33 LEU CA C 55.564 0.400 1 382 33 33 LEU CB C 43.750 0.400 1 383 33 33 LEU CD1 C 24.147 0.400 1 384 33 33 LEU CD2 C 25.605 0.400 1 385 33 33 LEU CG C 26.920 0.400 1 386 33 33 LEU N N 125.030 0.400 1 387 34 34 LEU H H 8.977 0.020 1 388 34 34 LEU HA H 4.611 0.020 1 389 34 34 LEU HB2 H 1.545 0.020 2 390 34 34 LEU HB3 H 1.248 0.020 2 391 34 34 LEU HD1 H 0.778 0.020 1 392 34 34 LEU HD2 H 0.784 0.020 1 393 34 34 LEU HG H 1.643 0.020 1 394 34 34 LEU C C 177.338 0.400 1 395 34 34 LEU CA C 55.400 0.400 1 396 34 34 LEU CB C 42.785 0.400 1 397 34 34 LEU CD1 C 26.076 0.400 1 398 34 34 LEU CD2 C 22.959 0.400 1 399 34 34 LEU CG C 27.578 0.400 1 400 34 34 LEU N N 125.873 0.400 1 401 35 35 ASP H H 7.440 0.020 1 402 35 35 ASP HA H 4.746 0.020 1 403 35 35 ASP HB2 H 2.770 0.020 2 404 35 35 ASP HB3 H 2.710 0.020 2 405 35 35 ASP C C 174.857 0.400 1 406 35 35 ASP CA C 55.278 0.400 1 407 35 35 ASP CB C 43.473 0.400 1 408 35 35 ASP N N 115.322 0.400 1 409 36 36 ASP H H 8.309 0.020 1 410 36 36 ASP HA H 3.925 0.020 1 411 36 36 ASP HB2 H 1.897 0.020 2 412 36 36 ASP HB3 H 1.112 0.020 2 413 36 36 ASP C C 176.337 0.400 1 414 36 36 ASP CA C 52.313 0.400 1 415 36 36 ASP CB C 40.016 0.400 1 416 36 36 ASP N N 128.280 0.400 1 417 37 37 SER H H 8.425 0.020 1 418 37 37 SER HA H 4.209 0.020 1 419 37 37 SER HB2 H 4.034 0.020 2 420 37 37 SER HB3 H 4.034 0.020 2 421 37 37 SER C C 175.250 0.400 1 422 37 37 SER CA C 61.637 0.400 1 423 37 37 SER CB C 64.096 0.400 1 424 37 37 SER N N 115.367 0.400 1 425 38 38 LYS H H 8.360 0.020 1 426 38 38 LYS HA H 4.886 0.020 1 427 38 38 LYS HB2 H 2.264 0.020 2 428 38 38 LYS HB3 H 2.198 0.020 2 429 38 38 LYS HE2 H 3.094 0.020 2 430 38 38 LYS HE3 H 3.094 0.020 2 431 38 38 LYS HG2 H 1.771 0.020 2 432 38 38 LYS HG3 H 1.742 0.020 2 433 38 38 LYS C C 175.856 0.400 1 434 38 38 LYS CA C 54.992 0.400 1 435 38 38 LYS CB C 34.292 0.400 1 436 38 38 LYS CE C 42.423 0.400 1 437 38 38 LYS N N 121.851 0.400 1 438 39 39 SER H H 8.280 0.020 1 439 39 39 SER HA H 4.299 0.020 1 440 39 39 SER HB2 H 3.968 0.020 2 441 39 39 SER HB3 H 3.952 0.020 2 442 39 39 SER C C 175.027 0.400 1 443 39 39 SER CA C 60.866 0.400 1 444 39 39 SER CB C 63.238 0.400 1 445 39 39 SER N N 112.265 0.400 1 446 40 40 TRP H H 7.399 0.020 1 447 40 40 TRP HA H 4.847 0.020 1 448 40 40 TRP HB2 H 3.034 0.020 2 449 40 40 TRP HB3 H 2.884 0.020 2 450 40 40 TRP HD1 H 7.160 0.020 1 451 40 40 TRP HE1 H 10.070 0.020 1 452 40 40 TRP HE3 H 7.000 0.020 1 453 40 40 TRP HH2 H 7.312 0.020 1 454 40 40 TRP HZ2 H 7.380 0.020 1 455 40 40 TRP HZ3 H 6.750 0.020 1 456 40 40 TRP C C 175.368 0.400 1 457 40 40 TRP CA C 56.683 0.400 1 458 40 40 TRP CB C 29.776 0.400 1 459 40 40 TRP CD1 C 126.380 0.400 1 460 40 40 TRP CE3 C 119.120 0.400 1 461 40 40 TRP CH2 C 125.940 0.400 1 462 40 40 TRP CZ2 C 114.480 0.400 1 463 40 40 TRP CZ3 C 121.600 0.400 1 464 40 40 TRP N N 121.183 0.400 1 465 40 40 TRP NE1 N 129.860 0.400 1 466 41 41 TRP H H 9.314 0.020 1 467 41 41 TRP HA H 5.429 0.020 1 468 41 41 TRP HB2 H 2.840 0.020 1 469 41 41 TRP HB3 H 2.945 0.020 1 470 41 41 TRP HD1 H 7.292 0.020 1 471 41 41 TRP HE1 H 9.835 0.020 1 472 41 41 TRP HE3 H 7.503 0.020 1 473 41 41 TRP HH2 H 7.244 0.020 1 474 41 41 TRP HZ2 H 7.573 0.020 1 475 41 41 TRP HZ3 H 6.760 0.020 1 476 41 41 TRP C C 175.002 0.400 1 477 41 41 TRP CA C 54.395 0.400 1 478 41 41 TRP CB C 30.838 0.400 1 479 41 41 TRP CD1 C 125.152 0.400 1 480 41 41 TRP CE3 C 120.820 0.400 1 481 41 41 TRP CH2 C 124.530 0.400 1 482 41 41 TRP CZ2 C 114.690 0.400 1 483 41 41 TRP CZ3 C 120.900 0.400 1 484 41 41 TRP N N 125.559 0.400 1 485 41 41 TRP NE1 N 129.880 0.400 1 486 42 42 ARG H H 8.794 0.020 1 487 42 42 ARG HA H 4.572 0.020 1 488 42 42 ARG HB2 H 1.710 0.020 2 489 42 42 ARG HB3 H 1.470 0.020 2 490 42 42 ARG HD2 H 2.932 0.020 2 491 42 42 ARG HD3 H 2.932 0.020 2 492 42 42 ARG HG2 H 1.153 0.020 2 493 42 42 ARG HG3 H 0.730 0.020 2 494 42 42 ARG C C 175.559 0.400 1 495 42 42 ARG CA C 55.440 0.400 1 496 42 42 ARG CB C 32.326 0.400 1 497 42 42 ARG CD C 43.102 0.400 1 498 42 42 ARG CG C 28.345 0.400 1 499 42 42 ARG N N 124.137 0.400 1 500 43 43 VAL H H 9.182 0.020 1 501 43 43 VAL HA H 5.512 0.020 1 502 43 43 VAL HB H 2.146 0.020 1 503 43 43 VAL HG1 H 0.882 0.020 1 504 43 43 VAL HG2 H 0.868 0.020 1 505 43 43 VAL C C 172.797 0.400 1 506 43 43 VAL CA C 58.762 0.400 1 507 43 43 VAL CB C 36.777 0.400 1 508 43 43 VAL CG1 C 21.818 0.400 1 509 43 43 VAL CG2 C 19.631 0.400 1 510 43 43 VAL N N 121.379 0.400 1 511 44 44 ARG H H 9.238 0.020 1 512 44 44 ARG HA H 5.511 0.020 1 513 44 44 ARG HB2 H 1.652 0.020 1 514 44 44 ARG HB3 H 1.951 0.020 1 515 44 44 ARG HD2 H 3.217 0.020 2 516 44 44 ARG HD3 H 3.089 0.020 2 517 44 44 ARG HG2 H 1.501 0.020 2 518 44 44 ARG HG3 H 1.432 0.020 2 519 44 44 ARG C C 175.668 0.400 1 520 44 44 ARG CA C 53.705 0.400 1 521 44 44 ARG CB C 35.366 0.400 1 522 44 44 ARG CD C 43.309 0.400 1 523 44 44 ARG CG C 27.484 0.400 1 524 44 44 ARG N N 119.936 0.400 1 525 45 45 ASN H H 8.787 0.020 1 526 45 45 ASN HA H 5.474 0.020 1 527 45 45 ASN HB2 H 3.839 0.020 2 528 45 45 ASN HB3 H 2.904 0.020 2 529 45 45 ASN HD21 H 9.161 0.020 2 530 45 45 ASN HD22 H 6.687 0.020 2 531 45 45 ASN C C 178.383 0.400 1 532 45 45 ASN CA C 50.705 0.400 1 533 45 45 ASN CB C 40.835 0.400 1 534 45 45 ASN N N 123.301 0.400 1 535 45 45 ASN ND2 N 113.383 0.400 1 536 46 46 SER H H 9.669 0.020 1 537 46 46 SER HA H 4.315 0.020 1 538 46 46 SER HB2 H 4.219 0.020 2 539 46 46 SER HB3 H 4.219 0.020 2 540 46 46 SER C C 175.111 0.400 1 541 46 46 SER CA C 61.617 0.400 1 542 46 46 SER CB C 63.177 0.400 1 543 46 46 SER N N 114.717 0.400 1 544 47 47 MET H H 7.623 0.020 1 545 47 47 MET HA H 4.704 0.020 1 546 47 47 MET HB2 H 2.370 0.020 2 547 47 47 MET HB3 H 2.005 0.020 2 548 47 47 MET HG2 H 2.688 0.020 2 549 47 47 MET HG3 H 2.537 0.020 2 550 47 47 MET C C 175.690 0.400 1 551 47 47 MET CA C 54.530 0.400 1 552 47 47 MET CB C 31.607 0.400 1 553 47 47 MET CG C 32.498 0.400 1 554 47 47 MET N N 120.082 0.400 1 555 48 48 ASN H H 8.399 0.020 1 556 48 48 ASN HA H 4.194 0.020 1 557 48 48 ASN HB2 H 2.951 0.020 1 558 48 48 ASN HB3 H 3.147 0.020 1 559 48 48 ASN HD21 H 7.443 0.020 2 560 48 48 ASN HD22 H 6.713 0.020 2 561 48 48 ASN C C 174.194 0.400 1 562 48 48 ASN CA C 54.961 0.400 1 563 48 48 ASN CB C 37.076 0.400 1 564 48 48 ASN N N 113.434 0.400 1 565 48 48 ASN ND2 N 112.181 0.400 1 566 49 49 LYS H H 8.053 0.020 1 567 49 49 LYS HA H 4.542 0.020 1 568 49 49 LYS HB2 H 1.715 0.020 1 569 49 49 LYS HB3 H 1.845 0.020 1 570 49 49 LYS HD2 H 1.752 0.020 2 571 49 49 LYS HD3 H 1.752 0.020 2 572 49 49 LYS HE2 H 3.071 0.020 2 573 49 49 LYS HE3 H 3.071 0.020 2 574 49 49 LYS HG2 H 1.560 0.020 2 575 49 49 LYS HG3 H 1.404 0.020 2 576 49 49 LYS C C 175.459 0.400 1 577 49 49 LYS CA C 55.672 0.400 1 578 49 49 LYS CB C 33.352 0.400 1 579 49 49 LYS CD C 28.882 0.400 1 580 49 49 LYS CE C 42.433 0.400 1 581 49 49 LYS CG C 25.399 0.400 1 582 49 49 LYS N N 120.636 0.400 1 583 50 50 THR H H 8.222 0.020 1 584 50 50 THR HA H 5.699 0.020 1 585 50 50 THR HB H 3.874 0.020 1 586 50 50 THR HG2 H 1.053 0.020 1 587 50 50 THR C C 174.548 0.400 1 588 50 50 THR CA C 59.247 0.400 1 589 50 50 THR CB C 71.798 0.400 1 590 50 50 THR CG2 C 22.027 0.400 1 591 50 50 THR N N 113.817 0.400 1 592 51 51 GLY H H 8.597 0.020 1 593 51 51 GLY HA2 H 3.914 0.020 2 594 51 51 GLY HA3 H 4.061 0.020 2 595 51 51 GLY C C 170.511 0.400 1 596 51 51 GLY CA C 45.470 0.400 1 597 51 51 GLY N N 108.052 0.400 1 598 52 52 PHE H H 8.995 0.020 1 599 52 52 PHE HA H 5.867 0.020 1 600 52 52 PHE HB2 H 2.740 0.020 1 601 52 52 PHE HB3 H 3.187 0.020 1 602 52 52 PHE HD1 H 7.171 0.020 1 603 52 52 PHE HD2 H 7.171 0.020 1 604 52 52 PHE HE1 H 7.460 0.020 1 605 52 52 PHE HE2 H 7.460 0.020 1 606 52 52 PHE HZ H 7.386 0.020 1 607 52 52 PHE C C 176.301 0.400 1 608 52 52 PHE CA C 57.925 0.400 1 609 52 52 PHE CB C 42.818 0.400 1 610 52 52 PHE CD1 C 131.770 0.400 1 611 52 52 PHE CD2 C 131.771 0.400 1 612 52 52 PHE CE1 C 131.750 0.400 1 613 52 52 PHE CE2 C 131.751 0.400 1 614 52 52 PHE CZ C 130.310 0.400 1 615 52 52 PHE N N 118.199 0.400 1 616 53 53 VAL H H 9.117 0.020 1 617 53 53 VAL HA H 4.778 0.020 1 618 53 53 VAL HB H 1.745 0.020 1 619 53 53 VAL HG1 H 1.071 0.020 1 620 53 53 VAL HG2 H 0.715 0.020 1 621 53 53 VAL CA C 57.529 0.400 1 622 53 53 VAL CB C 33.545 0.400 1 623 53 53 VAL CG1 C 23.370 0.400 1 624 53 53 VAL CG2 C 18.661 0.400 1 625 53 53 VAL N N 112.228 0.400 1 626 54 54 PRO HA H 3.256 0.020 1 627 54 54 PRO HB2 H 1.290 0.020 2 628 54 54 PRO HD2 H 2.335 0.020 2 629 54 54 PRO HD3 H 2.054 0.020 2 630 54 54 PRO HG2 H 0.594 0.020 2 631 54 54 PRO HG3 H 0.288 0.020 2 632 54 54 PRO C C 178.940 0.400 1 633 54 54 PRO CA C 62.446 0.400 1 634 54 54 PRO CB C 30.412 0.400 1 635 54 54 PRO CD C 49.507 0.400 1 636 54 54 PRO CG C 26.940 0.400 1 637 55 55 SER H H 7.746 0.020 1 638 55 55 SER C C 174.688 0.400 1 639 55 55 SER N N 118.307 0.400 1 640 56 56 ASN H H 8.178 0.020 1 641 56 56 ASN HA H 4.474 0.020 1 642 56 56 ASN HB2 H 2.832 0.020 2 643 56 56 ASN HB3 H 2.643 0.020 2 644 56 56 ASN C C 175.383 0.400 1 645 56 56 ASN CA C 53.910 0.400 1 646 56 56 ASN CB C 36.705 0.400 1 647 56 56 ASN N N 113.946 0.400 1 648 57 57 TYR H H 7.902 0.020 1 649 57 57 TYR HA H 4.453 0.020 1 650 57 57 TYR HB2 H 3.200 0.020 2 651 57 57 TYR HB3 H 3.030 0.020 2 652 57 57 TYR HD1 H 7.014 0.020 1 653 57 57 TYR HD2 H 7.014 0.020 1 654 57 57 TYR HE1 H 6.830 0.020 1 655 57 57 TYR HE2 H 6.830 0.020 1 656 57 57 TYR C C 175.088 0.400 1 657 57 57 TYR CA C 59.157 0.400 1 658 57 57 TYR CB C 38.195 0.400 1 659 57 57 TYR CD1 C 133.270 0.400 1 660 57 57 TYR CE1 C 118.210 0.400 1 661 57 57 TYR N N 118.299 0.400 1 662 58 58 VAL H H 7.281 0.020 1 663 58 58 VAL HA H 5.102 0.020 1 664 58 58 VAL HB H 1.842 0.020 1 665 58 58 VAL HG1 H 0.708 0.020 1 666 58 58 VAL HG2 H 0.734 0.020 1 667 58 58 VAL C C 173.097 0.400 1 668 58 58 VAL CA C 58.509 0.400 1 669 58 58 VAL CB C 35.643 0.400 1 670 58 58 VAL CG1 C 22.382 0.400 1 671 58 58 VAL CG2 C 19.722 0.400 1 672 58 58 VAL N N 111.551 0.400 1 673 59 59 GLU H H 8.635 0.020 1 674 59 59 GLU HA H 4.780 0.020 1 675 59 59 GLU HB2 H 1.939 0.020 2 676 59 59 GLU HB3 H 1.809 0.020 2 677 59 59 GLU HG2 H 2.091 0.020 2 678 59 59 GLU HG3 H 2.091 0.020 2 679 59 59 GLU C C 175.523 0.400 1 680 59 59 GLU CA C 54.394 0.400 1 681 59 59 GLU CB C 33.500 0.400 1 682 59 59 GLU CG C 35.823 0.400 1 683 59 59 GLU N N 118.716 0.400 1 684 60 60 ARG H H 8.984 0.020 1 685 60 60 ARG HA H 4.532 0.020 1 686 60 60 ARG HB2 H 1.941 0.020 2 687 60 60 ARG HB3 H 1.739 0.020 2 688 60 60 ARG HD2 H 3.158 0.020 2 689 60 60 ARG HD3 H 3.158 0.020 2 690 60 60 ARG HG2 H 1.716 0.020 2 691 60 60 ARG HG3 H 1.546 0.020 2 692 60 60 ARG C C 175.628 0.400 1 693 60 60 ARG CA C 56.566 0.400 1 694 60 60 ARG CB C 31.133 0.400 1 695 60 60 ARG CD C 43.579 0.400 1 696 60 60 ARG CG C 27.928 0.400 1 697 60 60 ARG N N 125.146 0.400 1 698 61 61 LYS H H 8.439 0.020 1 699 61 61 LYS HA H 4.423 0.020 1 700 61 61 LYS HB2 H 1.818 0.020 2 701 61 61 LYS HB3 H 1.620 0.020 2 702 61 61 LYS HD2 H 1.599 0.020 2 703 61 61 LYS HD3 H 1.599 0.020 2 704 61 61 LYS HE2 H 2.908 0.020 2 705 61 61 LYS HE3 H 2.908 0.020 2 706 61 61 LYS HG2 H 1.376 0.020 2 707 61 61 LYS HG3 H 1.376 0.020 2 708 61 61 LYS C C 175.716 0.400 1 709 61 61 LYS CA C 55.707 0.400 1 710 61 61 LYS CB C 33.548 0.400 1 711 61 61 LYS CD C 28.783 0.400 1 712 61 61 LYS CE C 42.016 0.400 1 713 61 61 LYS CG C 24.556 0.400 1 714 61 61 LYS N N 124.640 0.400 1 715 62 62 ASN H H 8.570 0.020 1 716 62 62 ASN HA H 4.773 0.020 1 717 62 62 ASN HB2 H 2.852 0.020 2 718 62 62 ASN HB3 H 2.762 0.020 2 719 62 62 ASN C C 174.244 0.400 1 720 62 62 ASN CA C 53.453 0.400 1 721 62 62 ASN CB C 39.183 0.400 1 722 62 62 ASN N N 121.640 0.400 1 723 63 63 SER H H 7.866 0.020 1 724 63 63 SER HA H 4.225 0.020 1 725 63 63 SER HB2 H 3.839 0.020 2 726 63 63 SER HB3 H 3.839 0.020 2 727 63 63 SER CA C 60.004 0.400 1 728 63 63 SER CB C 64.861 0.400 1 729 63 63 SER N N 120.988 0.400 1 stop_ save_