data_11425 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignment of the SPFH domain of human stomatin. ; _BMRB_accession_number 11425 _BMRB_flat_file_name bmr11425.str _Entry_type original _Submission_date 2011-01-15 _Accession_date 2011-01-18 _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 Tsuruta Tomoyuki . . 2 Goda Natsuko . . 3 Umetsu Yoshitaka . . 4 Iwaya Naoko . . 5 Kuwahara Yohta . . 6 Hiroaki Hidekazu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 601 "13C chemical shifts" 453 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-01 update BMRB 'update entry citation' 2011-06-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, and (15)N resonance assignment of the SPFH domain of human stomatin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21643969 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tsuruta Tomoyuki . . 2 Goda Natsuko . . 3 Umetsu Yoshitaka . . 4 Iwaya Naoko . . 5 Kuwahara Yohta . . 6 Hiroaki Hidekazu . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _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 2011 _Details . loop_ _Keyword 'heredity stomatocytosis' 'membrane skeleton' oligomerization 'SPFH domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SPFH domain of human stomatin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SPFH domain of human stomatin' $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SPFH domain of human stomatin' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSDHVDMRTISFDIPPQEIL TKDSVTISVDGVVYYRVQNA TLAVANITNADSATRLLAQT TLRNVLGTKNLSQILSDREE IAHNMQSTLDDATDAWGIKV ERVEIKDVKLPVQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASP 4 HIS 5 VAL 6 ASP 7 MET 8 ARG 9 THR 10 ILE 11 SER 12 PHE 13 ASP 14 ILE 15 PRO 16 PRO 17 GLN 18 GLU 19 ILE 20 LEU 21 THR 22 LYS 23 ASP 24 SER 25 VAL 26 THR 27 ILE 28 SER 29 VAL 30 ASP 31 GLY 32 VAL 33 VAL 34 TYR 35 TYR 36 ARG 37 VAL 38 GLN 39 ASN 40 ALA 41 THR 42 LEU 43 ALA 44 VAL 45 ALA 46 ASN 47 ILE 48 THR 49 ASN 50 ALA 51 ASP 52 SER 53 ALA 54 THR 55 ARG 56 LEU 57 LEU 58 ALA 59 GLN 60 THR 61 THR 62 LEU 63 ARG 64 ASN 65 VAL 66 LEU 67 GLY 68 THR 69 LYS 70 ASN 71 LEU 72 SER 73 GLN 74 ILE 75 LEU 76 SER 77 ASP 78 ARG 79 GLU 80 GLU 81 ILE 82 ALA 83 HIS 84 ASN 85 MET 86 GLN 87 SER 88 THR 89 LEU 90 ASP 91 ASP 92 ALA 93 THR 94 ASP 95 ALA 96 TRP 97 GLY 98 ILE 99 LYS 100 VAL 101 GLU 102 ARG 103 VAL 104 GLU 105 ILE 106 LYS 107 ASP 108 VAL 109 LYS 110 LEU 111 PRO 112 VAL 113 GLN 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 DBJ BAG64120 "unnamed protein product [Homo sapiens]" 96.46 280 100.00 100.00 3.97e-69 DBJ BAG65267 "unnamed protein product [Homo sapiens]" 96.46 237 100.00 100.00 4.32e-70 DBJ BAG82675 "erythrocyte band 7 integral membrane protein stomatin [Canis lupus familiaris]" 97.35 284 97.27 97.27 2.18e-67 DBJ BAG82676 "erythrocyte band 7 integral membrane protein stomatin [Canis lupus familiaris]" 97.35 284 97.27 97.27 2.18e-67 DBJ BAI46539 "stomatin [synthetic construct]" 96.46 288 100.00 100.00 5.30e-69 EMBL CAA42671 "erythrocyte band 7 integral membrane protein [Homo sapiens]" 96.46 288 100.00 100.00 5.30e-69 EMBL CAA59436 "band 7 integral membrane protein [Homo sapiens]" 96.46 288 100.00 100.00 5.30e-69 EMBL CAG46897 "STOM [Homo sapiens]" 96.46 288 100.00 100.00 5.30e-69 GB AAA58432 "stomatin peptide [Homo sapiens]" 96.46 288 100.00 100.00 5.66e-69 GB AAC50296 "band 7.2b stomatin [Homo sapiens]" 96.46 296 100.00 100.00 8.40e-69 GB AAH10703 "Stomatin [Homo sapiens]" 96.46 288 100.00 100.00 6.10e-69 GB AAI51432 "STOM protein [Bos taurus]" 97.35 284 97.27 97.27 1.85e-67 GB AAX36989 "stomatin [synthetic construct]" 96.46 289 100.00 100.00 6.08e-69 PRF 2201444A "membrane protein band 7.2b" 96.46 296 100.00 100.00 8.40e-69 PRF 2204264A "band 7 integral membrane protein" 96.46 288 100.00 100.00 5.30e-69 REF NP_001098943 "erythrocyte band 7 integral membrane protein [Bos taurus]" 97.35 284 97.27 97.27 1.85e-67 REF NP_001136142 "erythrocyte band 7 integral membrane protein [Canis lupus familiaris]" 97.35 284 97.27 97.27 2.18e-67 REF NP_001253158 "erythrocyte band 7 integral membrane protein [Macaca mulatta]" 96.46 288 100.00 100.00 5.48e-69 REF NP_001257455 "erythrocyte band 7 integral membrane protein isoform c [Homo sapiens]" 91.15 197 100.00 100.00 7.16e-65 REF NP_004090 "erythrocyte band 7 integral membrane protein isoform a [Homo sapiens]" 96.46 288 100.00 100.00 5.30e-69 SP P27105 "RecName: Full=Erythrocyte band 7 integral membrane protein; AltName: Full=Protein 7.2b; AltName: Full=Stomatin" 96.46 288 100.00 100.00 5.30e-69 TPG DAA26426 "TPA: stomatin [Bos taurus]" 97.35 284 97.27 97.27 1.61e-67 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 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 'recombinant technology' 'E. coli' Escherichia coli K-12 pGEX-4T3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.6 mM stomatin, 50 mM sodium phosphate (pH6.4), 100 mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.6 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 5.2 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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 pH 6.4 . pH pressure 1 . atm temperature 298 . 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'SPFH domain of human stomatin' _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 4.373 0.02 1 2 2 2 SER C C 171.400 0.2 1 3 2 2 SER CA C 55.541 0.2 1 4 2 2 SER CB C 60.940 0.2 1 5 2 2 SER N N 124.806 0.2 1 6 3 3 ASP H H 8.404 0.02 1 7 3 3 ASP HA H 4.460 0.02 1 8 3 3 ASP C C 173.100 0.2 1 9 3 3 ASP CA C 51.490 0.2 1 10 3 3 ASP CB C 38.170 0.2 1 11 3 3 ASP N N 122.016 0.2 1 12 4 4 HIS H H 8.199 0.02 1 13 4 4 HIS HA H 4.509 0.02 1 14 4 4 HIS HB2 H 3.042 0.02 2 15 4 4 HIS HB3 H 2.985 0.02 2 16 4 4 HIS HE1 H 8.276 0.02 1 17 4 4 HIS C C 171.781 0.2 1 18 4 4 HIS CA C 53.285 0.2 1 19 4 4 HIS CB C 27.175 0.2 1 20 4 4 HIS CE1 C 134.100 0.2 1 21 4 4 HIS N N 118.900 0.2 1 22 5 5 VAL H H 8.014 0.02 1 23 5 5 VAL HA H 3.923 0.02 1 24 5 5 VAL HB H 1.877 0.02 1 25 5 5 VAL HG1 H 0.771 0.02 2 26 5 5 VAL HG2 H 0.771 0.02 2 27 5 5 VAL C C 172.551 0.2 1 28 5 5 VAL CA C 59.577 0.2 1 29 5 5 VAL CB C 30.194 0.2 1 30 5 5 VAL N N 122.148 0.2 1 31 6 6 ASP H H 8.440 0.02 1 32 6 6 ASP HA H 4.133 0.02 1 33 6 6 ASP HB2 H 2.668 0.02 2 34 6 6 ASP HB3 H 2.479 0.02 2 35 6 6 ASP C C 173.531 0.2 1 36 6 6 ASP CA C 51.480 0.2 1 37 6 6 ASP CB C 38.526 0.2 1 38 6 6 ASP N N 124.656 0.2 1 39 7 7 MET H H 8.327 0.02 1 40 7 7 MET HA H 4.453 0.02 1 41 7 7 MET HB2 H 2.115 0.02 1 42 7 7 MET HB3 H 1.823 0.02 1 43 7 7 MET HG2 H 2.502 0.02 2 44 7 7 MET HG3 H 2.405 0.02 2 45 7 7 MET C C 173.300 0.2 1 46 7 7 MET CA C 52.442 0.2 1 47 7 7 MET CB C 29.640 0.2 1 48 7 7 MET CG C 29.489 0.2 1 49 7 7 MET N N 122.132 0.2 1 50 8 8 ARG H H 8.104 0.02 1 51 8 8 ARG HA H 4.213 0.02 1 52 8 8 ARG HB2 H 1.721 0.02 2 53 8 8 ARG HB3 H 1.721 0.02 2 54 8 8 ARG HD2 H 3.105 0.02 2 55 8 8 ARG HD3 H 3.105 0.02 2 56 8 8 ARG HG2 H 1.501 0.02 2 57 8 8 ARG HG3 H 1.501 0.02 2 58 8 8 ARG CA C 53.424 0.2 1 59 8 8 ARG CB C 28.367 0.2 1 60 8 8 ARG CD C 40.724 0.2 1 61 8 8 ARG CG C 24.044 0.2 1 62 8 8 ARG N N 121.000 0.2 1 63 9 9 THR H H 8.084 0.02 1 64 9 9 THR HA H 4.241 0.02 1 65 9 9 THR HB H 3.854 0.02 1 66 9 9 THR HG2 H 1.101 0.02 1 67 9 9 THR C C 171.065 0.2 1 68 9 9 THR CA C 60.740 0.2 1 69 9 9 THR CB C 66.828 0.2 1 70 9 9 THR CG2 C 19.759 0.2 1 71 9 9 THR N N 117.500 0.2 1 72 10 10 ILE H H 9.196 0.02 1 73 10 10 ILE HA H 4.008 0.02 1 74 10 10 ILE HB H 0.649 0.02 1 75 10 10 ILE HD1 H 0.588 0.02 1 76 10 10 ILE HG12 H 1.036 0.02 2 77 10 10 ILE HG13 H 1.036 0.02 2 78 10 10 ILE HG2 H 0.647 0.02 1 79 10 10 ILE C C 170.800 0.2 1 80 10 10 ILE CA C 57.147 0.2 1 81 10 10 ILE CB C 36.653 0.2 1 82 10 10 ILE CD1 C 10.353 0.2 1 83 10 10 ILE CG1 C 24.333 0.2 1 84 10 10 ILE CG2 C 15.685 0.2 1 85 10 10 ILE N N 130.212 0.2 1 86 11 11 SER H H 8.006 0.02 1 87 11 11 SER HA H 5.498 0.02 1 88 11 11 SER HB2 H 3.077 0.02 1 89 11 11 SER HB3 H 2.910 0.02 1 90 11 11 SER C C 171.700 0.2 1 91 11 11 SER CA C 52.508 0.2 1 92 11 11 SER CB C 64.309 0.2 1 93 11 11 SER N N 116.625 0.2 1 94 12 12 PHE H H 8.184 0.02 1 95 12 12 PHE HA H 4.764 0.02 1 96 12 12 PHE HB2 H 2.983 0.02 2 97 12 12 PHE HB3 H 2.983 0.02 2 98 12 12 PHE C C 169.500 0.2 1 99 12 12 PHE CA C 53.260 0.2 1 100 12 12 PHE CB C 38.910 0.2 1 101 12 12 PHE N N 116.400 0.2 1 102 13 13 ASP H H 8.474 0.02 1 103 13 13 ASP HA H 4.914 0.02 1 104 13 13 ASP HB2 H 2.503 0.02 2 105 13 13 ASP HB3 H 2.338 0.02 2 106 13 13 ASP C C 173.600 0.2 1 107 13 13 ASP CA C 50.554 0.2 1 108 13 13 ASP CB C 38.064 0.2 1 109 13 13 ASP N N 120.928 0.2 1 110 14 14 ILE H H 8.675 0.02 1 111 14 14 ILE HA H 4.266 0.02 1 112 14 14 ILE HB H 1.445 0.02 1 113 14 14 ILE HD1 H 0.524 0.02 1 114 14 14 ILE HG2 H 0.942 0.02 1 115 14 14 ILE C C 171.400 0.2 1 116 14 14 ILE CA C 56.522 0.2 1 117 14 14 ILE CB C 36.791 0.2 1 118 14 14 ILE CD1 C 11.293 0.2 1 119 14 14 ILE CG2 C 14.268 0.2 1 120 14 14 ILE N N 126.638 0.2 1 121 15 15 PRO HD2 H 3.962 0.02 1 122 15 15 PRO HD3 H 3.519 0.02 1 123 15 15 PRO CD C 48.478 0.2 1 124 15 15 PRO N N 126.147 0.2 1 125 16 16 PRO HA H 4.196 0.02 1 126 16 16 PRO HB2 H 1.962 0.02 2 127 16 16 PRO HB3 H 1.962 0.02 2 128 16 16 PRO HD2 H 3.768 0.02 2 129 16 16 PRO HD3 H 3.461 0.02 2 130 16 16 PRO HG2 H 1.565 0.02 2 131 16 16 PRO HG3 H 1.565 0.02 2 132 16 16 PRO CA C 60.794 0.2 1 133 16 16 PRO CB C 28.720 0.2 1 134 16 16 PRO CD C 47.353 0.2 1 135 16 16 PRO CG C 25.078 0.2 1 136 16 16 PRO N N 128.229 0.2 1 137 17 17 GLN H H 8.531 0.02 1 138 17 17 GLN HA H 4.367 0.02 1 139 17 17 GLN HG2 H 2.107 0.02 2 140 17 17 GLN HG3 H 2.107 0.02 2 141 17 17 GLN C C 171.600 0.2 1 142 17 17 GLN CA C 50.257 0.2 1 143 17 17 GLN CB C 29.600 0.2 1 144 17 17 GLN CG C 30.68 0.2 1 145 17 17 GLN N N 121.800 0.2 1 146 18 18 GLU H H 8.471 0.02 1 147 18 18 GLU HA H 4.862 0.02 1 148 18 18 GLU HB2 H 1.747 0.02 2 149 18 18 GLU HB3 H 1.747 0.02 2 150 18 18 GLU HG2 H 2.020 0.02 2 151 18 18 GLU HG3 H 1.833 0.02 2 152 18 18 GLU C C 173.200 0.2 1 153 18 18 GLU CA C 53.212 0.2 1 154 18 18 GLU CB C 27.260 0.2 1 155 18 18 GLU CG C 34.517 0.2 1 156 18 18 GLU N N 123.539 0.2 1 157 19 19 ILE H H 9.041 0.02 1 158 19 19 ILE HA H 4.220 0.02 1 159 19 19 ILE HB H 1.474 0.02 1 160 19 19 ILE HD1 H 0.609 0.02 1 161 19 19 ILE HG12 H 0.891 0.02 2 162 19 19 ILE HG13 H 0.891 0.02 2 163 19 19 ILE HG2 H 0.619 0.02 1 164 19 19 ILE C C 169.900 0.2 1 165 19 19 ILE CA C 56.578 0.2 1 166 19 19 ILE CB C 39.850 0.2 1 167 19 19 ILE CD1 C 12.084 0.2 1 168 19 19 ILE CG1 C 25.127 0.2 1 169 19 19 ILE CG2 C 14.999 0.2 1 170 19 19 ILE N N 127.551 0.2 1 171 20 20 LEU H H 7.862 0.02 1 172 20 20 LEU HA H 4.943 0.02 1 173 20 20 LEU HB2 H 1.591 0.02 2 174 20 20 LEU HB3 H 1.299 0.02 2 175 20 20 LEU HD1 H 0.713 0.02 2 176 20 20 LEU HD2 H 0.713 0.02 2 177 20 20 LEU HG H 1.621 0.02 1 178 20 20 LEU C C 175.000 0.2 1 179 20 20 LEU CA C 50.320 0.2 1 180 20 20 LEU CB C 41.174 0.2 1 181 20 20 LEU CD1 C 22.947 0.2 1 182 20 20 LEU CD2 C 21.433 0.2 1 183 20 20 LEU CG C 24.273 0.2 1 184 20 20 LEU N N 126.500 0.2 1 185 21 21 THR H H 8.950 0.02 1 186 21 21 THR HA H 4.650 0.02 1 187 21 21 THR HB H 5.041 0.02 1 188 21 21 THR HG2 H 0.778 0.02 1 189 21 21 THR C C 173.700 0.2 1 190 21 21 THR CA C 59.528 0.2 1 191 21 21 THR CB C 67.321 0.2 1 192 21 21 THR CG2 C 20.745 0.2 1 193 21 21 THR N N 116.007 0.2 1 194 22 22 LYS H H 8.444 0.02 1 195 22 22 LYS HA H 3.907 0.02 1 196 22 22 LYS HB2 H 1.460 0.02 1 197 22 22 LYS HB3 H 1.222 0.02 1 198 22 22 LYS HD2 H 1.438 0.02 2 199 22 22 LYS HD3 H 1.438 0.02 2 200 22 22 LYS HE2 H 2.844 0.02 2 201 22 22 LYS HE3 H 2.844 0.02 2 202 22 22 LYS HG2 H 1.266 0.02 2 203 22 22 LYS HG3 H 1.266 0.02 2 204 22 22 LYS C C 174.300 0.2 1 205 22 22 LYS CA C 56.710 0.2 1 206 22 22 LYS CB C 29.360 0.2 1 207 22 22 LYS CD C 26.642 0.2 1 208 22 22 LYS CE C 39.362 0.2 1 209 22 22 LYS CG C 21.819 0.2 1 210 22 22 LYS N N 123.000 0.2 1 211 23 23 ASP H H 8.648 0.02 1 212 23 23 ASP HA H 4.548 0.02 1 213 23 23 ASP HB2 H 2.942 0.02 2 214 23 23 ASP HB3 H 2.542 0.02 2 215 23 23 ASP C C 171.200 0.2 1 216 23 23 ASP CA C 49.411 0.2 1 217 23 23 ASP CB C 34.153 0.2 1 218 23 23 ASP N N 111.031 0.2 1 219 24 24 SER H H 7.900 0.02 1 220 24 24 SER C C 170.740 0.2 1 221 24 24 SER N N 110.500 0.2 1 222 25 25 VAL H H 8.186 0.02 1 223 25 25 VAL HA H 4.611 0.02 1 224 25 25 VAL HB H 1.921 0.02 1 225 25 25 VAL HG1 H 0.786 0.02 2 226 25 25 VAL HG2 H 0.786 0.02 2 227 25 25 VAL C C 172.971 0.2 1 228 25 25 VAL CA C 58.712 0.2 1 229 25 25 VAL CB C 29.668 0.2 1 230 25 25 VAL CG1 C 19.299 0.2 1 231 25 25 VAL CG2 C 18.465 0.2 1 232 25 25 VAL N N 122.803 0.2 1 233 26 26 THR H H 8.361 0.02 1 234 26 26 THR HA H 4.808 0.02 1 235 26 26 THR HB H 3.851 0.02 1 236 26 26 THR HG2 H 0.979 0.02 1 237 26 26 THR C C 171.166 0.2 1 238 26 26 THR CA C 60.540 0.2 1 239 26 26 THR CB C 65.921 0.2 1 240 26 26 THR CG2 C 18.651 0.2 1 241 26 26 THR N N 124.898 0.2 1 242 27 27 ILE H H 8.965 0.02 1 243 27 27 ILE HA H 4.921 0.02 1 244 27 27 ILE HB H 1.613 0.02 1 245 27 27 ILE HD1 H 0.469 0.02 1 246 27 27 ILE HG2 H 0.641 0.02 1 247 27 27 ILE C C 171.400 0.2 1 248 27 27 ILE CA C 56.253 0.2 1 249 27 27 ILE CB C 39.379 0.2 1 250 27 27 ILE CD1 C 12.088 0.2 1 251 27 27 ILE CG2 C 15.925 0.2 1 252 27 27 ILE N N 120.436 0.2 1 253 28 28 SER H H 8.319 0.02 1 254 28 28 SER HA H 5.374 0.02 1 255 28 28 SER HB2 H 3.418 0.02 2 256 28 28 SER HB3 H 3.418 0.02 2 257 28 28 SER C C 171.900 0.2 1 258 28 28 SER CA C 53.799 0.2 1 259 28 28 SER CB C 61.669 0.2 1 260 28 28 SER N N 114.296 0.2 1 261 29 29 VAL H H 8.617 0.02 1 262 29 29 VAL HA H 4.997 0.02 1 263 29 29 VAL HB H 1.632 0.02 1 264 29 29 VAL HG1 H 0.809 0.02 2 265 29 29 VAL HG2 H 0.809 0.02 2 266 29 29 VAL C C 170.800 0.2 1 267 29 29 VAL CA C 57.861 0.2 1 268 29 29 VAL CB C 32.797 0.2 1 269 29 29 VAL CG1 C 19.250 0.2 1 270 29 29 VAL N N 125.500 0.2 1 271 30 30 ASP H H 8.273 0.02 1 272 30 30 ASP HA H 4.716 0.02 1 273 30 30 ASP HB2 H 3.052 0.02 1 274 30 30 ASP HB3 H 2.336 0.02 1 275 30 30 ASP C C 172.100 0.2 1 276 30 30 ASP CA C 49.200 0.2 1 277 30 30 ASP CB C 40.100 0.2 1 278 30 30 ASP N N 125.857 0.2 1 279 31 31 GLY H H 7.787 0.02 1 280 31 31 GLY HA2 H 4.490 0.02 2 281 31 31 GLY HA3 H 3.880 0.02 2 282 31 31 GLY C C 168.700 0.2 1 283 31 31 GLY CA C 43.369 0.2 1 284 31 31 GLY N N 103.714 0.2 1 285 32 32 VAL H H 9.059 0.02 1 286 32 32 VAL HA H 4.703 0.02 1 287 32 32 VAL HB H 1.722 0.02 1 288 32 32 VAL HG1 H 0.654 0.02 1 289 32 32 VAL HG2 H 0.654 0.02 1 290 32 32 VAL C C 170.300 0.2 1 291 32 32 VAL CA C 58.575 0.2 1 292 32 32 VAL CB C 33.441 0.2 1 293 32 32 VAL CG1 C 18.629 0.2 1 294 32 32 VAL CG2 C 18.239 0.2 1 295 32 32 VAL N N 122.085 0.2 1 296 33 33 VAL H H 8.110 0.02 1 297 33 33 VAL HA H 4.365 0.02 1 298 33 33 VAL HB H 0.348 0.02 1 299 33 33 VAL HG1 H 0.538 0.02 2 300 33 33 VAL HG2 H 0.538 0.02 2 301 33 33 VAL CA C 57.916 0.2 1 302 33 33 VAL CB C 30.967 0.2 1 303 33 33 VAL CG1 C 19.690 0.2 1 304 33 33 VAL CG2 C 19.143 0.2 1 305 33 33 VAL N N 124.750 0.2 1 306 34 34 TYR H H 8.477 0.02 1 307 34 34 TYR HA H 5.176 0.02 1 308 34 34 TYR HB2 H 2.589 0.02 2 309 34 34 TYR HB3 H 2.589 0.02 2 310 34 34 TYR HD1 H 6.681 0.02 1 311 34 34 TYR HD2 H 6.681 0.02 1 312 34 34 TYR HE1 H 6.438 0.02 1 313 34 34 TYR HE2 H 6.438 0.02 1 314 34 34 TYR C C 173.000 0.2 1 315 34 34 TYR CA C 53.210 0.2 1 316 34 34 TYR CB C 36.810 0.2 1 317 34 34 TYR CD1 C 130.500 0.2 1 318 34 34 TYR CD2 C 130.500 0.2 1 319 34 34 TYR CE1 C 115.100 0.2 1 320 34 34 TYR CE2 C 115.100 0.2 1 321 34 34 TYR N N 123.600 0.2 1 322 35 35 TYR H H 9.828 0.02 1 323 35 35 TYR HA H 5.504 0.02 1 324 35 35 TYR HB2 H 3.057 0.02 2 325 35 35 TYR HB3 H 2.463 0.02 2 326 35 35 TYR HD1 H 6.915 0.02 1 327 35 35 TYR HD2 H 6.915 0.02 1 328 35 35 TYR HE1 H 6.551 0.02 1 329 35 35 TYR HE2 H 6.551 0.02 1 330 35 35 TYR C C 172.4 0.2 1 331 35 35 TYR CA C 53.156 0.2 1 332 35 35 TYR CB C 39.581 0.2 1 333 35 35 TYR CD1 C 130.500 0.2 1 334 35 35 TYR CD2 C 130.500 0.2 1 335 35 35 TYR CE1 C 114.700 0.2 1 336 35 35 TYR CE2 C 114.700 0.2 1 337 35 35 TYR N N 123.400 0.2 1 338 36 36 ARG H H 9.272 0.02 1 339 36 36 ARG HA H 4.806 0.02 1 340 36 36 ARG HB2 H 1.572 0.02 2 341 36 36 ARG HB3 H 1.572 0.02 2 342 36 36 ARG HD2 H 3.002 0.02 2 343 36 36 ARG HD3 H 3.002 0.02 2 344 36 36 ARG HG2 H 1.246 0.02 2 345 36 36 ARG HG3 H 1.246 0.02 2 346 36 36 ARG C C 172.400 0.2 1 347 36 36 ARG CA C 51.430 0.2 1 348 36 36 ARG CB C 31.693 0.2 1 349 36 36 ARG CD C 40.719 0.2 1 350 36 36 ARG CG C 24.343 0.2 1 351 36 36 ARG N N 116.243 0.2 1 352 37 37 VAL H H 9.172 0.02 1 353 37 37 VAL HA H 4.100 0.02 1 354 37 37 VAL HB H 2.042 0.02 1 355 37 37 VAL HG1 H 0.922 0.02 2 356 37 37 VAL HG2 H 0.922 0.02 2 357 37 37 VAL C C 172.700 0.2 1 358 37 37 VAL CA C 60.656 0.2 1 359 37 37 VAL CB C 29.140 0.2 1 360 37 37 VAL CG1 C 18.336 0.2 1 361 37 37 VAL CG2 C 18.482 0.2 1 362 37 37 VAL N N 123.893 0.2 1 363 38 38 GLN H H 8.671 0.02 1 364 38 38 GLN HA H 4.389 0.02 1 365 38 38 GLN HB2 H 1.793 0.02 2 366 38 38 GLN HB3 H 1.793 0.02 2 367 38 38 GLN HE21 H 6.785 0.02 2 368 38 38 GLN HE22 H 7.263 0.02 2 369 38 38 GLN HG2 H 2.130 0.02 2 370 38 38 GLN HG3 H 2.130 0.02 2 371 38 38 GLN C C 172.707 0.2 1 372 38 38 GLN CA C 53.550 0.2 1 373 38 38 GLN CB C 27.460 0.2 1 374 38 38 GLN CG C 30.790 0.2 1 375 38 38 GLN N N 127.465 0.2 1 376 38 38 GLN NE2 N 111.700 0.2 1 377 39 39 ASN H H 8.184 0.02 1 378 39 39 ASN HA H 4.716 0.02 1 379 39 39 ASN HB2 H 2.809 0.02 1 380 39 39 ASN HB3 H 2.660 0.02 1 381 39 39 ASN HD21 H 6.962 0.02 1 382 39 39 ASN HD22 H 7.731 0.02 1 383 39 39 ASN C C 171.900 0.2 1 384 39 39 ASN CA C 49.920 0.2 1 385 39 39 ASN CB C 36.433 0.2 1 386 39 39 ASN N N 118.187 0.2 1 387 39 39 ASN ND2 N 112.900 0.2 1 388 40 40 ALA H H 8.804 0.02 1 389 40 40 ALA HA H 3.976 0.02 1 390 40 40 ALA HB H 1.333 0.02 1 391 40 40 ALA C C 175.800 0.2 1 392 40 40 ALA CA C 51.680 0.2 1 393 40 40 ALA CB C 16.206 0.2 1 394 40 40 ALA N N 126.161 0.2 1 395 41 41 THR H H 7.963 0.02 1 396 41 41 THR HA H 4.005 0.02 1 397 41 41 THR HB H 4.187 0.02 1 398 41 41 THR HG2 H 1.103 0.02 1 399 41 41 THR C C 173.100 0.2 1 400 41 41 THR CA C 61.748 0.2 1 401 41 41 THR CB C 66.153 0.2 1 402 41 41 THR CG2 C 19.068 0.2 1 403 41 41 THR N N 112.468 0.2 1 404 42 42 LEU H H 7.333 0.02 1 405 42 42 LEU HA H 4.333 0.02 1 406 42 42 LEU HB2 H 1.503 0.02 2 407 42 42 LEU HB3 H 1.503 0.02 2 408 42 42 LEU HD1 H 0.762 0.02 1 409 42 42 LEU HD2 H 0.762 0.02 1 410 42 42 LEU HG H 1.511 0.02 1 411 42 42 LEU C C 175.200 0.2 1 412 42 42 LEU CA C 53.610 0.2 1 413 42 42 LEU CB C 39.413 0.2 1 414 42 42 LEU CD1 C 22.10 0.2 1 415 42 42 LEU CD2 C 20.45 0.2 1 416 42 42 LEU CG C 24.28 0.2 1 417 42 42 LEU N N 121.765 0.2 1 418 43 43 ALA H H 7.801 0.02 1 419 43 43 ALA HA H 4.290 0.02 1 420 43 43 ALA HB H 1.392 0.02 1 421 43 43 ALA C C 176.000 0.2 1 422 43 43 ALA CA C 51.379 0.2 1 423 43 43 ALA CB C 16.243 0.2 1 424 43 43 ALA N N 122.330 0.2 1 425 44 44 VAL H H 7.612 0.02 1 426 44 44 VAL HA H 3.974 0.02 1 427 44 44 VAL HB H 2.076 0.02 1 428 44 44 VAL HG1 H 0.869 0.02 2 429 44 44 VAL HG2 H 0.869 0.02 2 430 44 44 VAL C C 174.100 0.2 1 431 44 44 VAL CA C 60.650 0.2 1 432 44 44 VAL CB C 29.463 0.2 1 433 44 44 VAL CG1 C 18.343 0.2 1 434 44 44 VAL N N 115.156 0.2 1 435 45 45 ALA H H 7.817 0.02 1 436 45 45 ALA HA H 4.172 0.02 1 437 45 45 ALA HB H 1.329 0.02 1 438 45 45 ALA C C 175.400 0.2 1 439 45 45 ALA CA C 50.781 0.2 1 440 45 45 ALA CB C 16.440 0.2 1 441 45 45 ALA N N 123.140 0.2 1 442 46 46 ASN H H 7.859 0.02 1 443 46 46 ASN HA H 4.637 0.02 1 444 46 46 ASN HB2 H 2.721 0.02 2 445 46 46 ASN HB3 H 2.721 0.02 2 446 46 46 ASN HD21 H 6.801 0.02 2 447 46 46 ASN HD22 H 7.484 0.02 2 448 46 46 ASN C C 172.600 0.2 1 449 46 46 ASN CA C 50.953 0.2 1 450 46 46 ASN CB C 36.690 0.2 1 451 46 46 ASN N N 115.325 0.2 1 452 46 46 ASN ND2 N 113.000 0.2 1 453 47 47 ILE H H 7.772 0.02 1 454 47 47 ILE HA H 4.026 0.02 1 455 47 47 ILE HB H 1.673 0.02 1 456 47 47 ILE HD1 H 0.568 0.02 1 457 47 47 ILE HG12 H 1.171 0.02 2 458 47 47 ILE HG13 H 1.171 0.02 2 459 47 47 ILE HG2 H 0.643 0.02 1 460 47 47 ILE C C 173.200 0.2 1 461 47 47 ILE CA C 58.757 0.2 1 462 47 47 ILE CB C 36.134 0.2 1 463 47 47 ILE CD1 C 10.473 0.2 1 464 47 47 ILE CG1 C 25.231 0.2 1 465 47 47 ILE CG2 C 14.923 0.2 1 466 47 47 ILE N N 120.048 0.2 1 467 48 48 THR H H 7.853 0.02 1 468 48 48 THR HA H 4.008 0.02 1 469 48 48 THR HB H 3.995 0.02 1 470 48 48 THR HG2 H 1.030 0.02 1 471 48 48 THR C C 172.200 0.2 1 472 48 48 THR CA C 60.968 0.2 1 473 48 48 THR CB C 66.117 0.2 1 474 48 48 THR CG2 C 18.944 0.2 1 475 48 48 THR N N 116.317 0.2 1 476 49 49 ASN H H 7.928 0.02 1 477 49 49 ASN HA H 4.450 0.02 1 478 49 49 ASN HB2 H 2.620 0.02 2 479 49 49 ASN HB3 H 2.620 0.02 2 480 49 49 ASN HD21 H 6.901 0.02 2 481 49 49 ASN HD22 H 7.535 0.02 2 482 49 49 ASN C C 173.100 0.2 1 483 49 49 ASN CA C 50.971 0.2 1 484 49 49 ASN CB C 36.010 0.2 1 485 49 49 ASN N N 119.914 0.2 1 486 49 49 ASN ND2 N 113.200 0.2 1 487 50 50 ALA H H 8.405 0.02 1 488 50 50 ALA HA H 3.410 0.02 1 489 50 50 ALA HB H 1.314 0.02 1 490 50 50 ALA C C 176.624 0.2 1 491 50 50 ALA CA C 52.356 0.2 1 492 50 50 ALA CB C 15.831 0.2 1 493 50 50 ALA N N 125.200 0.2 1 494 51 51 ASP H H 8.354 0.02 1 495 51 51 ASP HA H 4.006 0.02 1 496 51 51 ASP HB2 H 2.573 0.02 2 497 51 51 ASP HB3 H 2.573 0.02 2 498 51 51 ASP C C 174.611 0.2 1 499 51 51 ASP CA C 55.179 0.2 1 500 51 51 ASP CB C 38.915 0.2 1 501 51 51 ASP N N 120.333 0.2 1 502 52 52 SER H H 7.935 0.02 1 503 52 52 SER HA H 4.684 0.02 1 504 52 52 SER HB2 H 3.700 0.02 1 505 52 52 SER HB3 H 3.655 0.02 1 506 52 52 SER C C 173.792 0.2 1 507 52 52 SER CA C 58.715 0.2 1 508 52 52 SER CB C 59.749 0.2 1 509 52 52 SER N N 114.489 0.2 1 510 53 53 ALA H H 8.007 0.02 1 511 53 53 ALA HA H 3.749 0.02 1 512 53 53 ALA HB H 0.541 0.02 1 513 53 53 ALA C C 177.787 0.2 1 514 53 53 ALA CA C 52.301 0.2 1 515 53 53 ALA CB C 14.958 0.2 1 516 53 53 ALA N N 123.165 0.2 1 517 54 54 THR H H 7.762 0.02 1 518 54 54 THR HA H 4.361 0.02 1 519 54 54 THR HB H 3.608 0.02 1 520 54 54 THR HG2 H 0.786 0.02 1 521 54 54 THR C C 176.500 0.2 1 522 54 54 THR CB C 65.307 0.2 1 523 54 54 THR CG2 C 17.378 0.2 1 524 54 54 THR N N 117.300 0.2 1 525 55 55 ARG H H 7.677 0.02 1 526 55 55 ARG HA H 3.487 0.02 1 527 55 55 ARG HB2 H 1.334 0.02 1 528 55 55 ARG HB3 H 1.257 0.02 1 529 55 55 ARG HD2 H 2.460 0.02 2 530 55 55 ARG HD3 H 2.460 0.02 2 531 55 55 ARG C C 176.600 0.2 1 532 55 55 ARG CA C 57.236 0.2 1 533 55 55 ARG CB C 26.719 0.2 1 534 55 55 ARG CD C 40.631 0.2 1 535 55 55 ARG N N 121.800 0.2 1 536 56 56 LEU H H 7.665 0.02 1 537 56 56 LEU HA H 3.969 0.02 1 538 56 56 LEU HB2 H 1.515 0.02 2 539 56 56 LEU HB3 H 1.515 0.02 2 540 56 56 LEU HD1 H 0.721 0.02 2 541 56 56 LEU HD2 H 0.721 0.02 2 542 56 56 LEU HG H 1.525 0.02 1 543 56 56 LEU C C 176.900 0.2 1 544 56 56 LEU CA C 55.247 0.2 1 545 56 56 LEU CB C 38.629 0.2 1 546 56 56 LEU CD1 C 21.080 0.2 1 547 56 56 LEU CD2 C 20.605 0.2 1 548 56 56 LEU CG C 24.21 0.2 1 549 56 56 LEU N N 120.200 0.2 1 550 57 57 LEU H H 8.071 0.02 1 551 57 57 LEU HA H 4.081 0.02 1 552 57 57 LEU HB2 H 1.392 0.02 1 553 57 57 LEU HB3 H 1.738 0.02 1 554 57 57 LEU HD1 H 0.739 0.02 1 555 57 57 LEU HD2 H 0.739 0.02 1 556 57 57 LEU HG H 1.721 0.02 1 557 57 57 LEU C C 178.100 0.2 1 558 57 57 LEU CA C 53.468 0.2 1 559 57 57 LEU CB C 39.384 0.2 1 560 57 57 LEU CD1 C 20.439 0.2 1 561 57 57 LEU CD2 C 23.373 0.2 1 562 57 57 LEU CG C 24.285 0.2 1 563 57 57 LEU N N 120.628 0.2 1 564 58 58 ALA H H 8.746 0.02 1 565 58 58 ALA HA H 3.884 0.02 1 566 58 58 ALA HB H 1.560 0.02 1 567 58 58 ALA C C 175.400 0.2 1 568 58 58 ALA CA C 53.261 0.2 1 569 58 58 ALA CB C 15.743 0.2 1 570 58 58 ALA N N 123.956 0.2 1 571 59 59 GLN H H 7.572 0.02 1 572 59 59 GLN HA H 3.693 0.02 1 573 59 59 GLN HB2 H 2.176 0.02 2 574 59 59 GLN HB3 H 2.176 0.02 2 575 59 59 GLN HE21 H 6.819 0.02 1 576 59 59 GLN HE22 H 7.187 0.02 1 577 59 59 GLN HG2 H 2.415 0.02 2 578 59 59 GLN HG3 H 2.415 0.02 2 579 59 59 GLN C C 174.900 0.2 1 580 59 59 GLN CA C 57.183 0.2 1 581 59 59 GLN CB C 26.213 0.2 1 582 59 59 GLN CG C 31.663 0.2 1 583 59 59 GLN N N 116.508 0.2 1 584 59 59 GLN NE2 N 110.700 0.2 1 585 60 60 THR H H 8.178 0.02 1 586 60 60 THR HA H 3.751 0.02 1 587 60 60 THR HB H 4.095 0.02 1 588 60 60 THR HG2 H 1.157 0.02 1 589 60 60 THR C C 173.400 0.2 1 590 60 60 THR CA C 63.447 0.2 1 591 60 60 THR CB C 66.301 0.2 1 592 60 60 THR CG2 C 19.107 0.2 1 593 60 60 THR N N 114.936 0.2 1 594 61 61 THR H H 8.441 0.02 1 595 61 61 THR HA H 4.026 0.02 1 596 61 61 THR HB H 3.812 0.02 1 597 61 61 THR HG2 H 1.127 0.02 1 598 61 61 THR C C 172.300 0.2 1 599 61 61 THR CA C 65.203 0.2 1 600 61 61 THR CB C 64.814 0.2 1 601 61 61 THR CG2 C 18.412 0.2 1 602 61 61 THR N N 118.500 0.2 1 603 62 62 LEU H H 7.814 0.02 1 604 62 62 LEU HA H 3.967 0.02 1 605 62 62 LEU HB2 H 1.734 0.02 1 606 62 62 LEU HB3 H 1.436 0.02 1 607 62 62 LEU HD1 H 0.639 0.02 1 608 62 62 LEU HD2 H 0.639 0.02 1 609 62 62 LEU HG H 1.338 0.02 1 610 62 62 LEU C C 175.000 0.2 1 611 62 62 LEU CA C 56.300 0.2 1 612 62 62 LEU CB C 39.633 0.2 1 613 62 62 LEU CD1 C 21.466 0.2 1 614 62 62 LEU CD2 C 23.543 0.2 1 615 62 62 LEU CG C 23.566 0.2 1 616 62 62 LEU N N 121.734 0.2 1 617 63 63 ARG H H 7.295 0.02 1 618 63 63 ARG HA H 3.703 0.02 1 619 63 63 ARG HB2 H 1.825 0.02 2 620 63 63 ARG HB3 H 1.825 0.02 2 621 63 63 ARG HD2 H 3.197 0.02 2 622 63 63 ARG HD3 H 3.241 0.02 2 623 63 63 ARG HE H 7.279 0.02 1 624 63 63 ARG HG2 H 1.173 0.02 2 625 63 63 ARG HG3 H 1.173 0.02 2 626 63 63 ARG C C 176.400 0.2 1 627 63 63 ARG CA C 57.481 0.2 1 628 63 63 ARG CB C 27.520 0.2 1 629 63 63 ARG CD C 40.710 0.2 1 630 63 63 ARG CG C 25.107 0.2 1 631 63 63 ARG N N 115.300 0.2 1 632 64 64 ASN H H 8.315 0.02 1 633 64 64 ASN HA H 4.315 0.02 1 634 64 64 ASN HB2 H 2.866 0.02 2 635 64 64 ASN HB3 H 2.717 0.02 2 636 64 64 ASN HD21 H 6.805 0.02 2 637 64 64 ASN HD22 H 7.522 0.02 2 638 64 64 ASN C C 175.800 0.2 1 639 64 64 ASN CA C 52.922 0.2 1 640 64 64 ASN CB C 35.178 0.2 1 641 64 64 ASN N N 118.450 0.2 1 642 64 64 ASN ND2 N 111.400 0.2 1 643 65 65 VAL H H 8.664 0.02 1 644 65 65 VAL HA H 3.723 0.02 1 645 65 65 VAL HB H 1.932 0.02 1 646 65 65 VAL HG1 H 0.931 0.02 1 647 65 65 VAL HG2 H 0.931 0.02 1 648 65 65 VAL C C 176.900 0.2 1 649 65 65 VAL CA C 63.190 0.2 1 650 65 65 VAL CB C 29.020 0.2 1 651 65 65 VAL CG1 C 20.140 0.2 1 652 65 65 VAL CG2 C 18.575 0.2 1 653 65 65 VAL N N 118.562 0.2 1 654 66 66 LEU H H 7.889 0.02 1 655 66 66 LEU HA H 3.855 0.02 1 656 66 66 LEU HB2 H 1.849 0.02 1 657 66 66 LEU HB3 H 1.236 0.02 1 658 66 66 LEU HD1 H 0.735 0.02 2 659 66 66 LEU HD2 H 0.735 0.02 2 660 66 66 LEU HG H 1.897 0.02 1 661 66 66 LEU C C 175.100 0.2 1 662 66 66 LEU CA C 55.754 0.2 1 663 66 66 LEU CB C 37.494 0.2 1 664 66 66 LEU CD1 C 23.904 0.2 1 665 66 66 LEU CD2 C 21.293 0.2 1 666 66 66 LEU CG C 24.960 0.2 1 667 66 66 LEU N N 119.381 0.2 1 668 67 67 GLY H H 7.475 0.02 1 669 67 67 GLY HA2 H 4.255 0.02 1 670 67 67 GLY HA3 H 3.823 0.02 1 671 67 67 GLY C C 172.000 0.2 1 672 67 67 GLY CA C 43.317 0.2 1 673 67 67 GLY N N 101.800 0.2 1 674 68 68 THR H H 7.227 0.02 1 675 68 68 THR HA H 4.370 0.02 1 676 68 68 THR HB H 4.427 0.02 1 677 68 68 THR HG2 H 1.245 0.02 1 678 68 68 THR C C 171.300 0.2 1 679 68 68 THR CA C 58.748 0.2 1 680 68 68 THR CB C 67.486 0.2 1 681 68 68 THR CG2 C 18.687 0.2 1 682 68 68 THR N N 106.200 0.2 1 683 69 69 LYS H H 7.510 0.02 1 684 69 69 LYS HA H 4.590 0.02 1 685 69 69 LYS HB2 H 1.705 0.02 2 686 69 69 LYS HB3 H 1.705 0.02 2 687 69 69 LYS HD2 H 1.433 0.02 2 688 69 69 LYS HD3 H 1.433 0.02 2 689 69 69 LYS HE2 H 2.565 0.02 2 690 69 69 LYS HE3 H 2.565 0.02 2 691 69 69 LYS HG2 H 1.062 0.02 2 692 69 69 LYS HG3 H 1.062 0.02 2 693 69 69 LYS C C 173.400 0.2 1 694 69 69 LYS CA C 50.020 0.2 1 695 69 69 LYS CB C 32.230 0.2 1 696 69 69 LYS CD C 25.992 0.2 1 697 69 69 LYS CE C 39.549 0.2 1 698 69 69 LYS CG C 21.339 0.2 1 699 69 69 LYS N N 120.900 0.2 1 700 70 70 ASN H H 8.843 0.02 1 701 70 70 ASN HA H 4.837 0.02 1 702 70 70 ASN HB2 H 2.775 0.02 1 703 70 70 ASN HB3 H 2.510 0.02 1 704 70 70 ASN HD21 H 6.880 0.02 2 705 70 70 ASN HD22 H 7.583 0.02 2 706 70 70 ASN C C 174.600 0.2 1 707 70 70 ASN CA C 49.920 0.2 1 708 70 70 ASN CB C 36.363 0.2 1 709 70 70 ASN N N 120.400 0.2 1 710 70 70 ASN ND2 N 112.700 0.2 1 711 71 71 LEU H H 9.763 0.02 1 712 71 71 LEU HA H 3.929 0.02 1 713 71 71 LEU HB2 H 1.985 0.02 1 714 71 71 LEU HB3 H 1.399 0.02 1 715 71 71 LEU HD1 H 0.840 0.02 2 716 71 71 LEU HD2 H 0.840 0.02 2 717 71 71 LEU HG H 1.423 0.02 1 718 71 71 LEU C C 175.200 0.2 1 719 71 71 LEU CA C 56.680 0.2 1 720 71 71 LEU CB C 38.446 0.2 1 721 71 71 LEU CD1 C 23.397 0.2 1 722 71 71 LEU CG C 24.105 0.2 1 723 71 71 LEU N N 124.904 0.2 1 724 72 72 SER H H 9.354 0.02 1 725 72 72 SER HA H 3.771 0.02 1 726 72 72 SER HB2 H 3.854 0.02 2 727 72 72 SER HB3 H 3.854 0.02 2 728 72 72 SER C C 174.500 0.2 1 729 72 72 SER CA C 59.108 0.2 1 730 72 72 SER N N 111.786 0.2 1 731 73 73 GLN H H 7.163 0.02 1 732 73 73 GLN HA H 4.125 0.02 1 733 73 73 GLN HB2 H 2.349 0.02 1 734 73 73 GLN HB3 H 2.031 0.02 1 735 73 73 GLN HE21 H 6.825 0.02 2 736 73 73 GLN HE22 H 7.805 0.02 2 737 73 73 GLN HG2 H 2.344 0.02 2 738 73 73 GLN HG3 H 2.344 0.02 2 739 73 73 GLN C C 174.800 0.2 1 740 73 73 GLN CA C 55.280 0.2 1 741 73 73 GLN CB C 27.614 0.2 1 742 73 73 GLN CG C 32.686 0.2 1 743 73 73 GLN N N 120.300 0.2 1 744 73 73 GLN NE2 N 113.200 0.2 1 745 74 74 ILE H H 7.568 0.02 1 746 74 74 ILE HA H 3.246 0.02 1 747 74 74 ILE HB H 1.855 0.02 1 748 74 74 ILE HD1 H 0.772 0.02 1 749 74 74 ILE HG12 H 0.771 0.02 2 750 74 74 ILE HG13 H 0.771 0.02 2 751 74 74 ILE HG2 H 0.627 0.02 1 752 74 74 ILE C C 173.500 0.2 1 753 74 74 ILE CA C 62.671 0.2 1 754 74 74 ILE CB C 35.277 0.2 1 755 74 74 ILE CD1 C 12.187 0.2 1 756 74 74 ILE CG1 C 26.753 0.2 1 757 74 74 ILE CG2 C 13.805 0.2 1 758 74 74 ILE N N 120.300 0.2 1 759 75 75 LEU H H 7.662 0.02 1 760 75 75 LEU HA H 4.006 0.02 1 761 75 75 LEU HB2 H 1.689 0.02 2 762 75 75 LEU HB3 H 1.420 0.02 2 763 75 75 LEU HD1 H 0.700 0.02 2 764 75 75 LEU HD2 H 0.700 0.02 2 765 75 75 LEU HG H 1.704 0.02 1 766 75 75 LEU C C 177.300 0.2 1 767 75 75 LEU CA C 54.171 0.2 1 768 75 75 LEU CB C 38.775 0.2 1 769 75 75 LEU CD1 C 19.365 0.2 1 770 75 75 LEU CD2 C 22.307 0.2 1 771 75 75 LEU CG C 23.842 0.2 1 772 75 75 LEU N N 112.798 0.2 1 773 76 76 SER H H 7.822 0.02 1 774 76 76 SER HA H 3.598 0.02 1 775 76 76 SER HB2 H 4.009 0.02 2 776 76 76 SER HB3 H 3.892 0.02 2 777 76 76 SER C C 173.100 0.2 1 778 76 76 SER CA C 57.689 0.2 1 779 76 76 SER CB C 61.526 0.2 1 780 76 76 SER N N 112.300 0.2 1 781 77 77 ASP H H 8.279 0.02 1 782 77 77 ASP HA H 5.094 0.02 1 783 77 77 ASP HB2 H 2.937 0.02 1 784 77 77 ASP HB3 H 2.640 0.02 1 785 77 77 ASP C C 173.327 0.2 1 786 77 77 ASP CA C 50.851 0.2 1 787 77 77 ASP CB C 37.710 0.2 1 788 77 77 ASP N N 122.700 0.2 1 789 78 78 ARG H H 7.393 0.02 1 790 78 78 ARG HA H 3.704 0.02 1 791 78 78 ARG HB2 H 1.907 0.02 2 792 78 78 ARG HB3 H 1.907 0.02 2 793 78 78 ARG HD2 H 3.116 0.02 2 794 78 78 ARG HD3 H 3.116 0.02 2 795 78 78 ARG HG2 H 1.593 0.02 2 796 78 78 ARG HG3 H 1.593 0.02 2 797 78 78 ARG C C 174.900 0.2 1 798 78 78 ARG CA C 57.920 0.2 1 799 78 78 ARG CB C 27.944 0.2 1 800 78 78 ARG CD C 40.942 0.2 1 801 78 78 ARG CG C 24.205 0.2 1 802 78 78 ARG N N 119.769 0.2 1 803 79 79 GLU H H 8.540 0.02 1 804 79 79 GLU HA H 4.009 0.02 1 805 79 79 GLU HB2 H 1.913 0.02 2 806 79 79 GLU HB3 H 1.913 0.02 2 807 79 79 GLU HG2 H 2.216 0.02 1 808 79 79 GLU HG3 H 2.176 0.02 1 809 79 79 GLU C C 176.100 0.2 1 810 79 79 GLU CA C 57.293 0.2 1 811 79 79 GLU CB C 26.294 0.2 1 812 79 79 GLU CG C 34.043 0.2 1 813 79 79 GLU N N 118.193 0.2 1 814 80 80 GLU H H 7.931 0.02 1 815 80 80 GLU HA H 4.049 0.02 1 816 80 80 GLU HB2 H 2.025 0.02 2 817 80 80 GLU HB3 H 2.025 0.02 2 818 80 80 GLU HG2 H 2.200 0.02 2 819 80 80 GLU HG3 H 2.200 0.02 2 820 80 80 GLU C C 176.496 0.2 1 821 80 80 GLU CA C 56.440 0.2 1 822 80 80 GLU CB C 26.610 0.2 1 823 80 80 GLU CG C 33.211 0.2 1 824 80 80 GLU N N 122.363 0.2 1 825 81 81 ILE H H 8.167 0.02 1 826 81 81 ILE HA H 3.559 0.02 1 827 81 81 ILE HB H 1.667 0.02 1 828 81 81 ILE HD1 H 0.602 0.02 1 829 81 81 ILE HG12 H 1.257 0.02 2 830 81 81 ILE HG13 H 1.257 0.02 2 831 81 81 ILE HG2 H 0.681 0.02 1 832 81 81 ILE C C 175.751 0.2 1 833 81 81 ILE CA C 62.322 0.2 1 834 81 81 ILE CB C 35.216 0.2 1 835 81 81 ILE CD1 C 11.731 0.2 1 836 81 81 ILE CG1 C 29.370 0.2 1 837 81 81 ILE CG2 C 14.485 0.2 1 838 81 81 ILE N N 120.382 0.2 1 839 82 82 ALA H H 8.272 0.02 1 840 82 82 ALA HA H 3.760 0.02 1 841 82 82 ALA HB H 1.501 0.02 1 842 82 82 ALA C C 177.080 0.2 1 843 82 82 ALA CA C 53.096 0.2 1 844 82 82 ALA CB C 15.105 0.2 1 845 82 82 ALA N N 122.800 0.2 1 846 83 83 HIS H H 8.069 0.02 1 847 83 83 HIS HA H 4.418 0.02 1 848 83 83 HIS HB2 H 3.307 0.02 2 849 83 83 HIS HB3 H 3.307 0.02 2 850 83 83 HIS HE1 H 8.079 0.02 1 851 83 83 HIS C C 174.600 0.2 1 852 83 83 HIS CA C 56.024 0.2 1 853 83 83 HIS CB C 25.855 0.2 1 854 83 83 HIS CE1 C 134.700 0.2 1 855 83 83 HIS N N 117.500 0.2 1 856 84 84 ASN H H 8.371 0.02 1 857 84 84 ASN HA H 4.346 0.02 1 858 84 84 ASN HB2 H 2.876 0.02 2 859 84 84 ASN HB3 H 2.782 0.02 2 860 84 84 ASN HD21 H 6.971 0.02 1 861 84 84 ASN HD22 H 7.435 0.02 1 862 84 84 ASN C C 175.441 0.2 1 863 84 84 ASN CA C 53.630 0.2 1 864 84 84 ASN CB C 35.932 0.2 1 865 84 84 ASN N N 120.044 0.2 1 866 84 84 ASN ND2 N 111.700 0.2 1 867 85 85 MET H H 8.464 0.02 1 868 85 85 MET HA H 3.882 0.02 1 869 85 85 MET HB2 H 2.153 0.02 1 870 85 85 MET HB3 H 1.870 0.02 1 871 85 85 MET HE H 1.858 0.02 1 872 85 85 MET HG2 H 2.579 0.02 2 873 85 85 MET HG3 H 2.579 0.02 2 874 85 85 MET C C 174.400 0.2 1 875 85 85 MET CA C 56.308 0.2 1 876 85 85 MET CB C 29.606 0.2 1 877 85 85 MET CG C 30.126 0.2 1 878 85 85 MET N N 119.175 0.2 1 879 86 86 GLN H H 8.362 0.02 1 880 86 86 GLN HA H 3.501 0.02 1 881 86 86 GLN HB2 H 2.545 0.02 1 882 86 86 GLN HB3 H 1.978 0.02 1 883 86 86 GLN HE21 H 6.628 0.02 2 884 86 86 GLN HE22 H 7.358 0.02 2 885 86 86 GLN HG2 H 2.097 0.02 2 886 86 86 GLN HG3 H 2.097 0.02 2 887 86 86 GLN C C 174.300 0.2 1 888 86 86 GLN CA C 57.830 0.2 1 889 86 86 GLN CB C 24.202 0.2 1 890 86 86 GLN CG C 29.697 0.2 1 891 86 86 GLN N N 120.533 0.2 1 892 86 86 GLN NE2 N 111.200 0.2 1 893 87 87 SER H H 7.828 0.02 1 894 87 87 SER HA H 3.990 0.02 1 895 87 87 SER HB2 H 3.835 0.02 2 896 87 87 SER HB3 H 3.835 0.02 2 897 87 87 SER C C 174.100 0.2 1 898 87 87 SER CA C 58.950 0.2 1 899 87 87 SER CB C 59.963 0.2 1 900 87 87 SER N N 114.652 0.2 1 901 88 88 THR H H 7.888 0.02 1 902 88 88 THR HA H 3.896 0.02 1 903 88 88 THR HB H 3.964 0.02 1 904 88 88 THR HG2 H 1.110 0.02 1 905 88 88 THR C C 174.700 0.2 1 906 88 88 THR CA C 63.569 0.2 1 907 88 88 THR CB C 66.165 0.2 1 908 88 88 THR CG2 C 18.961 0.2 1 909 88 88 THR N N 117.884 0.2 1 910 89 89 LEU H H 8.627 0.02 1 911 89 89 LEU HA H 3.964 0.02 1 912 89 89 LEU HB2 H 1.373 0.02 2 913 89 89 LEU HB3 H 1.373 0.02 2 914 89 89 LEU HD1 H 0.693 0.02 2 915 89 89 LEU HD2 H 0.693 0.02 2 916 89 89 LEU HG H 1.045 0.02 1 917 89 89 LEU C C 176.900 0.2 1 918 89 89 LEU CA C 54.838 0.2 1 919 89 89 LEU CB C 39.750 0.2 1 920 89 89 LEU CD1 C 21.894 0.2 1 921 89 89 LEU CD2 C 22.430 0.2 1 922 89 89 LEU CG C 24.520 0.2 1 923 89 89 LEU N N 121.262 0.2 1 924 90 90 ASP H H 8.865 0.02 1 925 90 90 ASP HA H 4.317 0.02 1 926 90 90 ASP HB2 H 2.924 0.02 2 927 90 90 ASP HB3 H 2.648 0.02 2 928 90 90 ASP C C 175.900 0.2 1 929 90 90 ASP CA C 54.900 0.2 1 930 90 90 ASP CB C 38.356 0.2 1 931 90 90 ASP N N 120.400 0.2 1 932 91 91 ASP H H 7.714 0.02 1 933 91 91 ASP HA H 4.148 0.02 1 934 91 91 ASP HB2 H 2.602 0.02 2 935 91 91 ASP HB3 H 2.602 0.02 2 936 91 91 ASP C C 175.400 0.2 1 937 91 91 ASP CA C 54.599 0.2 1 938 91 91 ASP CB C 37.679 0.2 1 939 91 91 ASP N N 118.009 0.2 1 940 92 92 ALA H H 7.293 0.02 1 941 92 92 ALA HA H 3.959 0.02 1 942 92 92 ALA HB H 1.280 0.02 1 943 92 92 ALA C C 175.800 0.2 1 944 92 92 ALA CA C 51.350 0.2 1 945 92 92 ALA CB C 17.007 0.2 1 946 92 92 ALA N N 118.974 0.2 1 947 93 93 THR H H 7.514 0.02 1 948 93 93 THR HA H 3.240 0.02 1 949 93 93 THR HB H 4.120 0.02 1 950 93 93 THR HG2 H 1.064 0.02 1 951 93 93 THR C C 174.600 0.2 1 952 93 93 THR CA C 59.675 0.2 1 953 93 93 THR CB C 67.225 0.2 1 954 93 93 THR CG2 C 19.160 0.2 1 955 93 93 THR N N 103.900 0.2 1 956 94 94 ASP H H 7.213 0.02 1 957 94 94 ASP HA H 4.371 0.02 1 958 94 94 ASP HB2 H 2.545 0.02 2 959 94 94 ASP HB3 H 2.545 0.02 2 960 94 94 ASP C C 176.500 0.2 1 961 94 94 ASP CA C 55.247 0.2 1 962 94 94 ASP CB C 37.370 0.2 1 963 94 94 ASP N N 124.100 0.2 1 964 95 95 ALA H H 7.693 0.02 1 965 95 95 ALA HA H 3.996 0.02 1 966 95 95 ALA HB H 1.094 0.02 1 967 95 95 ALA C C 174.800 0.2 1 968 95 95 ALA CA C 51.330 0.2 1 969 95 95 ALA CB C 15.249 0.2 1 970 95 95 ALA N N 121.344 0.2 1 971 96 96 TRP H H 7.233 0.02 1 972 96 96 TRP HA H 4.751 0.02 1 973 96 96 TRP HB2 H 3.206 0.02 2 974 96 96 TRP HB3 H 3.206 0.02 2 975 96 96 TRP HD1 H 6.789 0.02 1 976 96 96 TRP HE1 H 9.811 0.02 1 977 96 96 TRP HH2 H 6.895 0.02 1 978 96 96 TRP HZ2 H 7.169 0.02 1 979 96 96 TRP C C 172.500 0.2 1 980 96 96 TRP CA C 51.910 0.2 1 981 96 96 TRP CB C 26.270 0.2 1 982 96 96 TRP CD1 C 121.900 0.2 1 983 96 96 TRP CH2 C 121.800 0.2 1 984 96 96 TRP CZ2 C 111.300 0.2 1 985 96 96 TRP N N 115.122 0.2 1 986 97 97 GLY H H 7.701 0.02 1 987 97 97 GLY HA2 H 4.239 0.02 1 988 97 97 GLY HA3 H 3.942 0.02 1 989 97 97 GLY C C 171.300 0.2 1 990 97 97 GLY CA C 43.788 0.2 1 991 97 97 GLY N N 103.935 0.2 1 992 98 98 ILE H H 7.189 0.02 1 993 98 98 ILE HA H 4.603 0.02 1 994 98 98 ILE HB H 1.720 0.02 1 995 98 98 ILE HD1 H 0.708 0.02 1 996 98 98 ILE HG12 H 1.546 0.02 1 997 98 98 ILE HG13 H 1.341 0.02 1 998 98 98 ILE HG2 H 0.747 0.02 1 999 98 98 ILE C C 171.300 0.2 1 1000 98 98 ILE CA C 56.543 0.2 1 1001 98 98 ILE CB C 39.383 0.2 1 1002 98 98 ILE CD1 C 10.041 0.2 1 1003 98 98 ILE CG1 C 26.916 0.2 1 1004 98 98 ILE CG2 C 14.725 0.2 1 1005 98 98 ILE N N 119.400 0.2 1 1006 99 99 LYS H H 9.047 0.02 1 1007 99 99 LYS HA H 4.767 0.02 1 1008 99 99 LYS HB2 H 1.713 0.02 2 1009 99 99 LYS HB3 H 1.713 0.02 2 1010 99 99 LYS HD2 H 1.353 0.02 2 1011 99 99 LYS HD3 H 1.353 0.02 2 1012 99 99 LYS HE2 H 2.783 0.02 2 1013 99 99 LYS HE3 H 2.783 0.02 2 1014 99 99 LYS HG2 H 1.107 0.02 2 1015 99 99 LYS HG3 H 1.107 0.02 2 1016 99 99 LYS CA C 49.974 0.2 1 1017 99 99 LYS CB C 30.699 0.2 1 1018 99 99 LYS CD C 24.984 0.2 1 1019 99 99 LYS CE C 39.125 0.2 1 1020 99 99 LYS CG C 20.874 0.2 1 1021 99 99 LYS N N 127.500 0.2 1 1022 100 100 VAL H H 8.876 0.02 1 1023 100 100 VAL HA H 4.366 0.02 1 1024 100 100 VAL HB H 1.771 0.02 1 1025 100 100 VAL HG1 H 0.538 0.02 2 1026 100 100 VAL HG2 H 0.538 0.02 2 1027 100 100 VAL CA C 57.808 0.2 1 1028 100 100 VAL CB C 30.747 0.2 1 1029 100 100 VAL CG1 C 19.813 0.2 1 1030 100 100 VAL N N 128.268 0.2 1 1031 101 101 GLU H H 7.616 0.02 1 1032 101 101 GLU HA H 4.237 0.02 1 1033 101 101 GLU HB2 H 1.513 0.02 2 1034 101 101 GLU HB3 H 1.513 0.02 2 1035 101 101 GLU HG2 H 2.060 0.02 2 1036 101 101 GLU HG3 H 1.893 0.02 2 1037 101 101 GLU CA C 54.382 0.2 1 1038 101 101 GLU CB C 29.211 0.2 1 1039 101 101 GLU CG C 33.402 0.2 1 1040 101 101 GLU N N 115.752 0.2 1 1041 102 102 ARG H H 7.616 0.02 1 1042 102 102 ARG HA H 4.380 0.02 1 1043 102 102 ARG HB2 H 1.440 0.02 2 1044 102 102 ARG HB3 H 1.440 0.02 2 1045 102 102 ARG HD2 H 2.773 0.02 1 1046 102 102 ARG HD3 H 2.573 0.02 1 1047 102 102 ARG HG2 H 1.114 0.02 2 1048 102 102 ARG HG3 H 1.114 0.02 2 1049 102 102 ARG C C 170.100 0.2 1 1050 102 102 ARG CA C 53.390 0.2 1 1051 102 102 ARG CB C 30.813 0.2 1 1052 102 102 ARG CD C 40.413 0.2 1 1053 102 102 ARG CG C 24.665 0.2 1 1054 102 102 ARG N N 115.585 0.2 1 1055 103 103 VAL H H 8.472 0.02 1 1056 103 103 VAL HA H 4.687 0.02 1 1057 103 103 VAL HB H 1.913 0.02 1 1058 103 103 VAL HG1 H 0.717 0.02 2 1059 103 103 VAL HG2 H 0.717 0.02 2 1060 103 103 VAL C C 170.900 0.2 1 1061 103 103 VAL CA C 58.410 0.2 1 1062 103 103 VAL CB C 32.100 0.2 1 1063 103 103 VAL CG1 C 19.558 0.2 1 1064 103 103 VAL CG2 C 17.652 0.2 1 1065 103 103 VAL N N 124.751 0.2 1 1066 104 104 GLU H H 9.032 0.02 1 1067 104 104 GLU HA H 4.586 0.02 1 1068 104 104 GLU HB2 H 1.762 0.02 2 1069 104 104 GLU HB3 H 1.762 0.02 2 1070 104 104 GLU HG2 H 2.012 0.02 2 1071 104 104 GLU HG3 H 2.012 0.02 2 1072 104 104 GLU C C 172.700 0.2 1 1073 104 104 GLU CA C 51.646 0.2 1 1074 104 104 GLU CB C 30.330 0.2 1 1075 104 104 GLU CG C 33.350 0.2 1 1076 104 104 GLU N N 124.444 0.2 1 1077 105 105 ILE H H 8.739 0.02 1 1078 105 105 ILE HA H 4.083 0.02 1 1079 105 105 ILE HB H 1.591 0.02 1 1080 105 105 ILE HD1 H 0.646 0.02 1 1081 105 105 ILE HG12 H 1.257 0.02 1 1082 105 105 ILE HG13 H 1.439 0.02 1 1083 105 105 ILE HG2 H 0.626 0.02 1 1084 105 105 ILE C C 172.800 0.2 1 1085 105 105 ILE CA C 58.346 0.2 1 1086 105 105 ILE CB C 35.213 0.2 1 1087 105 105 ILE CD1 C 9.545 0.2 1 1088 105 105 ILE CG1 C 24.979 0.2 1 1089 105 105 ILE CG2 C 14.122 0.2 1 1090 105 105 ILE N N 124.438 0.2 1 1091 106 106 LYS H H 8.312 0.02 1 1092 106 106 LYS HA H 4.142 0.02 1 1093 106 106 LYS HB2 H 1.258 0.02 2 1094 106 106 LYS HB3 H 1.258 0.02 2 1095 106 106 LYS HD2 H 1.259 0.02 2 1096 106 106 LYS HD3 H 1.259 0.02 2 1097 106 106 LYS HE2 H 2.706 0.02 2 1098 106 106 LYS HE3 H 2.706 0.02 2 1099 106 106 LYS HG2 H 1.248 0.02 2 1100 106 106 LYS HG3 H 1.248 0.02 2 1101 106 106 LYS CA C 54.233 0.2 1 1102 106 106 LYS CB C 29.563 0.2 1 1103 106 106 LYS CD C 25.864 0.2 1 1104 106 106 LYS CE C 38.816 0.2 1 1105 106 106 LYS CG C 22.040 0.2 1 1106 106 106 LYS N N 129.600 0.2 1 1107 107 107 ASP H H 8.185 0.02 1 1108 107 107 ASP HA H 4.512 0.02 1 1109 107 107 ASP HB2 H 2.594 0.02 2 1110 107 107 ASP HB3 H 2.594 0.02 2 1111 107 107 ASP CA C 52.970 0.2 1 1112 107 107 ASP CB C 39.671 0.2 1 1113 107 107 ASP N N 118.900 0.2 1 1114 108 108 VAL H H 7.988 0.02 1 1115 108 108 VAL HA H 4.205 0.02 1 1116 108 108 VAL HB H 1.836 0.02 1 1117 108 108 VAL HG1 H 0.611 0.02 2 1118 108 108 VAL HG2 H 0.611 0.02 2 1119 108 108 VAL C C 171.900 0.2 1 1120 108 108 VAL CA C 59.072 0.2 1 1121 108 108 VAL CB C 30.246 0.2 1 1122 108 108 VAL CG1 C 18.825 0.2 1 1123 108 108 VAL CG2 C 17.646 0.2 1 1124 108 108 VAL N N 121.597 0.2 1 1125 109 109 LYS H H 8.883 0.02 1 1126 109 109 LYS HA H 4.439 0.02 1 1127 109 109 LYS HB2 H 1.664 0.02 2 1128 109 109 LYS HB3 H 1.664 0.02 2 1129 109 109 LYS HD2 H 1.480 0.02 2 1130 109 109 LYS HD3 H 1.480 0.02 2 1131 109 109 LYS HE2 H 3.061 0.02 2 1132 109 109 LYS HE3 H 2.780 0.02 2 1133 109 109 LYS HG2 H 1.162 0.02 2 1134 109 109 LYS HG3 H 1.162 0.02 2 1135 109 109 LYS CA C 51.658 0.2 1 1136 109 109 LYS CB C 31.767 0.2 1 1137 109 109 LYS CD C 26.114 0.2 1 1138 109 109 LYS CE C 39.403 0.2 1 1139 109 109 LYS CG C 21.952 0.2 1 1140 109 109 LYS N N 126.475 0.2 1 1141 110 110 LEU H H 8.344 0.02 1 1142 110 110 LEU CA C 50.030 0.2 1 1143 110 110 LEU CB C 38.600 0.2 1 1144 110 110 LEU N N 124.629 0.2 1 1145 111 111 PRO HA H 4.330 0.02 1 1146 111 111 PRO HB2 H 2.141 0.02 1 1147 111 111 PRO HB3 H 1.762 0.02 1 1148 111 111 PRO HD2 H 3.684 0.02 2 1149 111 111 PRO HD3 H 3.544 0.02 2 1150 111 111 PRO HG2 H 1.454 0.02 2 1151 111 111 PRO HG3 H 1.454 0.02 2 1152 111 111 PRO C C 173.891 0.2 1 1153 111 111 PRO CA C 60.119 0.2 1 1154 111 111 PRO CB C 29.293 0.2 1 1155 111 111 PRO CD C 47.741 0.2 1 1156 111 111 PRO CG C 24.546 0.2 1 1157 111 111 PRO N N 110.908 0.2 1 1158 112 112 VAL H H 8.160 0.02 1 1159 112 112 VAL HA H 3.937 0.02 1 1160 112 112 VAL HB H 1.933 0.02 1 1161 112 112 VAL HG1 H 0.839 0.02 2 1162 112 112 VAL HG2 H 0.839 0.02 2 1163 112 112 VAL C C 172.749 0.2 1 1164 112 112 VAL CA C 59.878 0.2 1 1165 112 112 VAL CB C 29.899 0.2 1 1166 112 112 VAL CG1 C 18.464 0.2 1 1167 112 112 VAL CG2 C 17.842 0.2 1 1168 112 112 VAL N N 120.865 0.2 1 1169 113 113 GLN H H 7.907 0.02 1 1170 113 113 GLN HA H 4.057 0.02 1 1171 113 113 GLN HB2 H 1.952 0.02 2 1172 113 113 GLN HB3 H 1.806 0.02 2 1173 113 113 GLN C C 177.589 0.2 1 1174 113 113 GLN CA C 54.441 0.2 1 1175 113 113 GLN CB C 27.954 0.2 1 1176 113 113 GLN N N 129.000 0.2 1 stop_ save_