data_17354 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; high calcium androcam ; _BMRB_accession_number 17354 _BMRB_flat_file_name bmr17354.str _Entry_type original _Submission_date 2010-12-08 _Accession_date 2010-12-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'chemical shifts of androcam at high calcium' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Joshi Mehul K. . 2 Moran Sean T. . 3 MacKenzie Kevin R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 886 "13C chemical shifts" 587 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-14 update BMRB 'update entry citation' 2012-07-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17353 'high calcium androcam' stop_ save_ ############################# # Citation for this entry # ############################# save_high_calcium_androcam _Saveframe_category entry_citation _Citation_full . _Citation_title 'H, 15N and 13C chemical shifts of the D. melanogaster myosin VI light chain androcam in high calcium.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22706934 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Joshi Mehul K. . 2 Moran Sean . . 3 MacKenzie Kevin R. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 171 _Page_last 174 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'high calcium androcam' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label androcam $androcam 'calcium ions' $CA stop_ _System_molecular_weight 17095.06 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_androcam _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common androcam _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Spermatogenesis in Drosophila' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MSELTEEQIAEFKDAFVQFD KEGTGKIATRELGTLMRTLG QNPTEAELQDLIAEAENNNN GQLNFTEFCGIMAKQMRETD TEEEMREAFKIFDRDGDGFI SPAELRFVMINLGEKVTDEE IDEMIREADFDGDGMINYEE FVWMISQK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLU 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 ASP 15 ALA 16 PHE 17 VAL 18 GLN 19 PHE 20 ASP 21 LYS 22 GLU 23 GLY 24 THR 25 GLY 26 LYS 27 ILE 28 ALA 29 THR 30 ARG 31 GLU 32 LEU 33 GLY 34 THR 35 LEU 36 MET 37 ARG 38 THR 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 LEU 52 ILE 53 ALA 54 GLU 55 ALA 56 GLU 57 ASN 58 ASN 59 ASN 60 ASN 61 GLY 62 GLN 63 LEU 64 ASN 65 PHE 66 THR 67 GLU 68 PHE 69 CYS 70 GLY 71 ILE 72 MET 73 ALA 74 LYS 75 GLN 76 MET 77 ARG 78 GLU 79 THR 80 ASP 81 THR 82 GLU 83 GLU 84 GLU 85 MET 86 ARG 87 GLU 88 ALA 89 PHE 90 LYS 91 ILE 92 PHE 93 ASP 94 ARG 95 ASP 96 GLY 97 ASP 98 GLY 99 PHE 100 ILE 101 SER 102 PRO 103 ALA 104 GLU 105 LEU 106 ARG 107 PHE 108 VAL 109 MET 110 ILE 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 VAL 117 THR 118 ASP 119 GLU 120 GLU 121 ILE 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 PHE 131 ASP 132 GLY 133 ASP 134 GLY 135 MET 136 ILE 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 TRP 144 MET 145 ILE 146 SER 147 GLN 148 LYS 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 BMRB 17353 androcam 100.00 148 100.00 100.00 5.31e-100 PDB 2LMT "Nmr Structure Of Androcam" 100.00 148 100.00 100.00 5.31e-100 PDB 2LMU "Androcam At High Calcium" 100.00 148 100.00 100.00 5.31e-100 PDB 2LMV "Androcam At High Calcium With Three Explicit Ca2+" 100.00 148 100.00 100.00 5.31e-100 EMBL CAA53630 "calmodulin related [Drosophila melanogaster]" 100.00 148 99.32 100.00 1.19e-99 GB AAF56511 "androcam, isoform A [Drosophila melanogaster]" 100.00 148 100.00 100.00 5.31e-100 GB AAL48405 "AT11556p [Drosophila melanogaster]" 100.00 148 100.00 100.00 5.31e-100 GB ACL87451 "And-PA, partial [synthetic construct]" 100.00 148 100.00 100.00 5.31e-100 GB ACL91891 "And-PA [synthetic construct]" 100.00 148 100.00 100.00 5.31e-100 GB ACZ95031 "androcam, isoform B [Drosophila melanogaster]" 100.00 148 100.00 100.00 5.31e-100 PRF 2021248D "calmodulin-related protein" 100.00 148 99.32 100.00 1.19e-99 REF NP_001163737 "androcam, isoform B [Drosophila melanogaster]" 100.00 148 100.00 100.00 5.31e-100 REF NP_476988 "androcam, isoform A [Drosophila melanogaster]" 100.00 148 100.00 100.00 5.31e-100 REF XP_001981747 "GG11425 [Drosophila erecta]" 100.00 148 97.30 100.00 1.15e-97 REF XP_002041300 "GM10265 [Drosophila sechellia]" 100.00 148 99.32 100.00 2.27e-99 REF XP_002098987 "GE23620 [Drosophila yakuba]" 100.00 148 97.30 100.00 9.84e-98 SP P49258 "RecName: Full=Calmodulin-related protein 97A; AltName: Full=Protein androcam" 100.00 148 100.00 100.00 5.31e-100 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Dec 6 14:46:49 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 $androcam 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster Androcam 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 $androcam 'recombinant technology' . Escherichia coli BL21(DE3) pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $androcam 1.8 mM '[U-100% 13C; U-100% 15N]' 'Calcium chloride' 10 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' TRIS 10 mM 'natural abundance' DTT 10 mM 'natural abundance' TSP 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . 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 Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 10 . mM pH 7.4 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_hiCa_acam_chem_shift_ref _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 TSP C 13 'methyl protons' ppm -0.015 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm -0.015 internal direct . . . 1 TSP N 15 'methyl protons' ppm -0.015 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_hiCa_acam-shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '2D 1H-13C HSQC aliphatic' '3D HCCH-COSY' '3D HCCH-TOCSY' '2D 1H-13C HSQC aromatic' '3D HCACO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $hiCa_acam_chem_shift_ref _Mol_system_component_name androcam _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 4.350 0.004 1 2 2 2 SER HB2 H 3.802 0.010 . 3 2 2 SER HB3 H 3.802 0.010 . 4 2 2 SER C C 174.594 0.000 1 5 2 2 SER CA C 58.789 0.030 1 6 2 2 SER CB C 63.907 0.007 1 7 3 3 GLU H H 8.570 0.002 1 8 3 3 GLU HA H 4.285 0.002 1 9 3 3 GLU HB2 H 1.887 0.000 2 10 3 3 GLU HB3 H 2.053 0.000 2 11 3 3 GLU HG2 H 2.230 0.000 2 12 3 3 GLU HG3 H 2.260 0.000 2 13 3 3 GLU C C 176.217 0.000 1 14 3 3 GLU CA C 56.483 0.034 1 15 3 3 GLU CB C 30.333 0.000 1 16 3 3 GLU CG C 36.333 0.000 1 17 3 3 GLU N N 121.800 0.009 1 18 4 4 LEU H H 8.191 0.003 1 19 4 4 LEU HA H 4.584 0.001 1 20 4 4 LEU HB2 H 1.658 0.000 2 21 4 4 LEU HB3 H 1.282 0.000 2 22 4 4 LEU HG H 1.673 0.001 1 23 4 4 LEU HD1 H 0.883 0.002 . 24 4 4 LEU HD2 H 0.820 0.001 . 25 4 4 LEU C C 177.556 0.000 1 26 4 4 LEU CA C 54.191 0.024 1 27 4 4 LEU CB C 43.394 0.000 1 28 4 4 LEU CG C 27.083 0.000 1 29 4 4 LEU CD1 C 26.473 0.025 2 30 4 4 LEU CD2 C 23.483 0.018 2 31 4 4 LEU N N 121.220 0.032 1 32 5 5 THR H H 8.746 0.003 1 33 5 5 THR HA H 4.416 0.011 1 34 5 5 THR HB H 4.738 0.007 1 35 5 5 THR HG2 H 1.286 0.009 . 36 5 5 THR C C 175.156 0.000 1 37 5 5 THR CA C 60.274 0.021 1 38 5 5 THR CB C 71.158 0.021 1 39 5 5 THR CG2 C 21.943 0.006 1 40 5 5 THR N N 113.450 0.020 1 41 6 6 GLU H H 8.983 0.002 1 42 6 6 GLU HA H 3.901 0.002 1 43 6 6 GLU HB2 H 2.010 0.000 . 44 6 6 GLU HB3 H 2.010 0.000 . 45 6 6 GLU HG2 H 2.305 0.000 2 46 6 6 GLU HG3 H 2.371 0.000 2 47 6 6 GLU C C 179.256 0.000 1 48 6 6 GLU CA C 59.883 0.034 1 49 6 6 GLU CB C 29.312 0.000 1 50 6 6 GLU CG C 36.363 0.000 1 51 6 6 GLU N N 120.330 0.009 1 52 7 7 GLU H H 8.640 0.002 1 53 7 7 GLU HA H 4.023 0.002 1 54 7 7 GLU HB2 H 1.901 0.000 2 55 7 7 GLU HB3 H 2.003 0.000 2 56 7 7 GLU HG2 H 2.330 0.000 2 57 7 7 GLU HG3 H 2.408 0.000 2 58 7 7 GLU C C 179.056 0.000 1 59 7 7 GLU CA C 60.144 0.034 1 60 7 7 GLU CB C 28.952 0.000 1 61 7 7 GLU CG C 36.913 0.000 1 62 7 7 GLU N N 119.440 0.009 1 63 8 8 GLN H H 7.669 0.002 1 64 8 8 GLN HA H 3.749 0.002 1 65 8 8 GLN HB2 H 1.175 0.000 2 66 8 8 GLN HB3 H 2.143 0.000 2 67 8 8 GLN HG2 H 2.185 0.000 2 68 8 8 GLN HG3 H 2.256 0.000 2 69 8 8 GLN HE21 H 6.650 0.003 2 70 8 8 GLN HE22 H 7.610 0.003 2 71 8 8 GLN C C 177.056 0.000 1 72 8 8 GLN CA C 58.649 0.038 1 73 8 8 GLN CB C 29.103 0.000 1 74 8 8 GLN CG C 34.813 0.000 1 75 8 8 GLN N N 120.660 0.018 1 76 8 8 GLN NE2 N 111.000 0.003 1 77 9 9 ILE H H 8.088 0.003 1 78 9 9 ILE HA H 3.373 0.001 1 79 9 9 ILE HB H 1.829 0.000 1 80 9 9 ILE HG12 H 0.998 0.000 2 81 9 9 ILE HG13 H 1.609 0.000 2 82 9 9 ILE HG2 H 1.109 0.002 . 83 9 9 ILE HD1 H 0.759 0.002 . 84 9 9 ILE C C 177.656 0.000 1 85 9 9 ILE CA C 65.743 0.000 1 86 9 9 ILE CB C 37.613 0.000 1 87 9 9 ILE CG1 C 30.083 0.000 1 88 9 9 ILE CG2 C 17.573 0.016 1 89 9 9 ILE CD1 C 12.700 0.005 1 90 9 9 ILE N N 118.140 0.060 1 91 10 10 ALA H H 7.840 0.003 1 92 10 10 ALA HA H 4.107 0.002 1 93 10 10 ALA HB H 1.476 0.000 . 94 10 10 ALA C C 180.256 0.000 1 95 10 10 ALA CA C 55.373 0.018 1 96 10 10 ALA CB C 18.013 0.000 1 97 10 10 ALA N N 120.750 0.022 1 98 11 11 GLU H H 7.715 0.002 1 99 11 11 GLU HA H 4.162 0.002 1 100 11 11 GLU HB2 H 2.151 0.000 . 101 11 11 GLU HB3 H 2.151 0.000 . 102 11 11 GLU HG2 H 2.288 0.000 2 103 11 11 GLU HG3 H 2.477 0.000 2 104 11 11 GLU C C 180.256 0.000 1 105 11 11 GLU CA C 59.305 0.034 1 106 11 11 GLU CB C 29.475 0.000 1 107 11 11 GLU CG C 36.203 0.000 1 108 11 11 GLU N N 119.800 0.009 1 109 12 12 PHE H H 9.044 0.006 1 110 12 12 PHE HA H 4.902 0.009 1 111 12 12 PHE HB2 H 3.582 0.011 2 112 12 12 PHE HB3 H 3.922 0.012 2 113 12 12 PHE HD1 H 7.210 0.011 . 114 12 12 PHE HD2 H 7.210 0.011 . 115 12 12 PHE HE1 H 7.300 0.012 . 116 12 12 PHE HE2 H 7.300 0.012 . 117 12 12 PHE HZ H 7.130 0.700 1 118 12 12 PHE C C 178.356 0.000 1 119 12 12 PHE CA C 57.609 0.024 1 120 12 12 PHE CB C 36.605 0.008 1 121 12 12 PHE N N 120.270 0.027 1 122 13 13 LYS H H 9.142 0.002 1 123 13 13 LYS HA H 3.702 0.007 1 124 13 13 LYS HB2 H 1.650 0.000 2 125 13 13 LYS HB3 H 1.932 0.000 2 126 13 13 LYS HG2 H 0.778 0.000 2 127 13 13 LYS HG3 H 1.176 0.000 2 128 13 13 LYS HD2 H 1.051 0.000 2 129 13 13 LYS HD3 H 1.201 0.000 2 130 13 13 LYS HE2 H 2.514 0.000 . 131 13 13 LYS HE3 H 2.514 0.000 . 132 13 13 LYS C C 177.456 0.000 1 133 13 13 LYS CA C 59.831 0.045 1 134 13 13 LYS CB C 31.423 0.045 1 135 13 13 LYS CG C 24.253 0.000 1 136 13 13 LYS CD C 28.203 0.000 1 137 13 13 LYS CE C 41.623 0.000 1 138 13 13 LYS N N 122.780 0.039 1 139 14 14 ASP H H 7.796 0.000 1 140 14 14 ASP HA H 4.403 0.000 1 141 14 14 ASP HB2 H 2.704 0.000 2 142 14 14 ASP HB3 H 2.800 0.000 2 143 14 14 ASP C C 178.256 0.000 1 144 14 14 ASP CA C 57.276 0.000 1 145 14 14 ASP CB C 40.776 0.000 1 146 14 14 ASP N N 117.883 0.000 1 147 15 15 ALA H H 7.548 0.003 1 148 15 15 ALA HA H 4.358 0.002 1 149 15 15 ALA HB H 1.636 0.000 . 150 15 15 ALA C C 178.856 0.000 1 151 15 15 ALA CA C 54.802 0.018 1 152 15 15 ALA CB C 19.595 0.000 1 153 15 15 ALA N N 120.106 0.022 1 154 16 16 PHE H H 8.883 0.006 1 155 16 16 PHE HA H 3.777 0.009 1 156 16 16 PHE HB2 H 3.130 0.011 2 157 16 16 PHE HB3 H 3.374 0.012 2 158 16 16 PHE HD1 H 6.730 0.011 . 159 16 16 PHE HD2 H 6.730 0.011 . 160 16 16 PHE HE1 H 6.940 0.012 . 161 16 16 PHE HE2 H 6.940 0.012 . 162 16 16 PHE HZ H 7.130 0.700 1 163 16 16 PHE C C 177.696 0.000 1 164 16 16 PHE CA C 62.349 0.024 1 165 16 16 PHE CB C 41.010 0.008 1 166 16 16 PHE N N 120.427 0.027 1 167 17 17 VAL H H 8.535 0.003 1 168 17 17 VAL HA H 3.886 0.005 1 169 17 17 VAL HB H 2.340 0.006 1 170 17 17 VAL HG1 H 1.092 0.004 . 171 17 17 VAL HG2 H 1.137 0.006 . 172 17 17 VAL C C 178.356 0.000 1 173 17 17 VAL CA C 65.439 0.032 1 174 17 17 VAL CB C 31.690 0.038 1 175 17 17 VAL CG1 C 21.132 0.015 2 176 17 17 VAL CG2 C 21.273 0.021 2 177 17 17 VAL N N 113.296 0.011 1 178 18 18 GLN H H 7.398 0.002 1 179 18 18 GLN HA H 3.934 0.002 1 180 18 18 GLN HB2 H 2.081 0.000 2 181 18 18 GLN HB3 H 1.963 0.000 2 182 18 18 GLN HG2 H 2.387 0.000 2 183 18 18 GLN HG3 H 2.489 0.000 2 184 18 18 GLN HE21 H 6.800 0.003 2 185 18 18 GLN HE22 H 7.390 0.003 2 186 18 18 GLN C C 176.856 0.000 1 187 18 18 GLN CA C 57.764 0.038 1 188 18 18 GLN CB C 27.934 0.000 1 189 18 18 GLN CG C 33.773 0.000 1 190 18 18 GLN N N 117.748 0.018 1 191 18 18 GLN NE2 N 112.900 0.003 1 192 19 19 PHE H H 7.675 0.006 1 193 19 19 PHE HA H 4.248 0.009 1 194 19 19 PHE HB2 H 2.667 0.011 2 195 19 19 PHE HB3 H 3.038 0.012 2 196 19 19 PHE HD1 H 7.300 0.011 . 197 19 19 PHE HD2 H 7.300 0.011 . 198 19 19 PHE HE1 H 7.300 0.012 . 199 19 19 PHE HE2 H 7.300 0.012 . 200 19 19 PHE HZ H 7.130 0.700 1 201 19 19 PHE C C 174.756 0.000 1 202 19 19 PHE CA C 58.755 0.024 1 203 19 19 PHE CB C 39.756 0.008 1 204 19 19 PHE N N 116.384 0.027 1 205 20 20 ASP H H 7.491 0.000 1 206 20 20 ASP HA H 4.911 0.000 1 207 20 20 ASP HB2 H 2.104 0.000 2 208 20 20 ASP HB3 H 2.726 0.000 2 209 20 20 ASP C C 176.656 0.000 1 210 20 20 ASP CA C 52.223 0.000 1 211 20 20 ASP CB C 39.834 0.000 1 212 20 20 ASP N N 122.660 0.000 1 213 21 21 LYS H H 8.052 0.002 1 214 21 21 LYS HA H 4.028 0.007 1 215 21 21 LYS HB2 H 1.841 0.000 . 216 21 21 LYS HB3 H 1.841 0.000 . 217 21 21 LYS HG2 H 1.417 0.000 2 218 21 21 LYS HG3 H 1.458 0.000 2 219 21 21 LYS HD2 H 1.646 0.000 2 220 21 21 LYS HD3 H 1.658 0.000 2 221 21 21 LYS HE2 H 2.980 0.000 . 222 21 21 LYS HE3 H 2.980 0.000 . 223 21 21 LYS C C 178.456 0.000 1 224 21 21 LYS CA C 58.715 0.045 1 225 21 21 LYS CB C 32.225 0.045 1 226 21 21 LYS CG C 25.053 0.000 1 227 21 21 LYS CD C 28.733 0.000 1 228 21 21 LYS CE C 42.133 0.000 1 229 21 21 LYS N N 122.892 0.039 1 230 22 22 GLU H H 8.744 0.002 1 231 22 22 GLU HA H 4.382 0.002 1 232 22 22 GLU HB2 H 2.035 0.000 2 233 22 22 GLU HB3 H 2.242 0.000 2 234 22 22 GLU HG2 H 2.242 0.000 2 235 22 22 GLU HG3 H 2.286 0.000 2 236 22 22 GLU C C 177.056 0.000 1 237 22 22 GLU CA C 56.209 0.034 1 238 22 22 GLU CB C 30.080 0.000 1 239 22 22 GLU CG C 36.883 0.000 1 240 22 22 GLU N N 115.632 0.009 1 241 23 23 GLY H H 7.948 0.002 1 242 23 23 GLY HA2 H 3.920 0.010 . 243 23 23 GLY HA3 H 3.870 0.011 2 244 23 23 GLY C C 175.956 0.000 1 245 23 23 GLY CA C 47.403 0.047 1 246 23 23 GLY N N 110.267 0.008 1 247 24 24 THR H H 9.292 0.003 1 248 24 24 THR HA H 4.305 0.011 1 249 24 24 THR HB H 4.347 0.007 1 250 24 24 THR HG2 H 1.202 0.009 . 251 24 24 THR C C 176.656 0.000 1 252 24 24 THR CA C 62.270 0.021 1 253 24 24 THR CB C 70.669 0.021 1 254 24 24 THR CG2 C 22.173 0.006 1 255 24 24 THR N N 113.026 0.020 1 256 25 25 GLY H H 10.734 0.002 1 257 25 25 GLY HA2 H 3.788 0.010 . 258 25 25 GLY HA3 H 4.336 0.011 2 259 25 25 GLY C C 173.456 0.000 1 260 25 25 GLY CA C 45.443 0.047 1 261 25 25 GLY N N 115.218 0.008 1 262 26 26 LYS H H 7.734 0.002 1 263 26 26 LYS HA H 5.417 0.007 1 264 26 26 LYS HB2 H 1.577 0.000 2 265 26 26 LYS HB3 H 1.515 0.000 2 266 26 26 LYS HG2 H 1.219 0.000 2 267 26 26 LYS HG3 H 1.316 0.000 2 268 26 26 LYS HD2 H 1.458 0.000 2 269 26 26 LYS HD3 H 1.587 0.000 2 270 26 26 LYS HE2 H 2.961 0.000 . 271 26 26 LYS HE3 H 2.961 0.000 . 272 26 26 LYS C C 174.456 0.000 1 273 26 26 LYS CA C 54.659 0.045 1 274 26 26 LYS CB C 37.040 0.045 1 275 26 26 LYS CG C 25.163 0.000 1 276 26 26 LYS CD C 29.463 0.045 1 277 26 26 LYS CE C 42.383 0.045 1 278 26 26 LYS N N 118.720 0.039 1 279 27 27 ILE H H 8.526 0.003 1 280 27 27 ILE HA H 4.525 0.001 1 281 27 27 ILE HB H 1.561 0.000 1 282 27 27 ILE HG12 H 0.751 0.000 2 283 27 27 ILE HG13 H 1.117 0.000 2 284 27 27 ILE HG2 H -0.040 0.002 . 285 27 27 ILE HD1 H 0.270 0.002 . 286 27 27 ILE C C 174.856 0.000 1 287 27 27 ILE CA C 58.316 0.000 1 288 27 27 ILE CB C 41.608 0.000 1 289 27 27 ILE CG1 C 25.343 0.000 1 290 27 27 ILE CG2 C 17.583 0.016 1 291 27 27 ILE CD1 C 14.563 0.005 1 292 27 27 ILE N N 111.513 0.060 1 293 28 28 ALA H H 8.681 0.003 1 294 28 28 ALA HA H 4.803 0.002 1 295 28 28 ALA HB H 1.546 0.000 . 296 28 28 ALA C C 179.414 0.000 1 297 28 28 ALA CA C 51.401 0.018 1 298 28 28 ALA CB C 19.359 0.000 1 299 28 28 ALA N N 124.313 0.022 1 300 29 29 THR H H 8.506 0.003 1 301 29 29 THR HA H 3.596 0.011 1 302 29 29 THR HB H 4.147 0.007 1 303 29 29 THR HG2 H 1.109 0.009 . 304 29 29 THR C C 177.156 0.000 1 305 29 29 THR CA C 65.809 0.021 1 306 29 29 THR CB C 67.297 0.021 1 307 29 29 THR CG2 C 24.043 0.006 1 308 29 29 THR N N 115.976 0.020 1 309 30 30 ARG H H 8.030 0.002 1 310 30 30 ARG HA H 4.231 0.000 1 311 30 30 ARG HB2 H 1.856 0.000 2 312 30 30 ARG HB3 H 1.948 0.000 2 313 30 30 ARG HG2 H 1.578 0.000 2 314 30 30 ARG HG3 H 1.641 0.000 2 315 30 30 ARG HD2 H 3.215 0.000 . 316 30 30 ARG HD3 H 3.215 0.000 . 317 30 30 ARG C C 176.856 0.000 1 318 30 30 ARG CA C 58.119 0.000 1 319 30 30 ARG CB C 29.435 0.000 1 320 30 30 ARG CG C 26.993 0.000 1 321 30 30 ARG CD C 43.093 0.000 1 322 30 30 ARG N N 117.600 0.044 1 323 31 31 GLU H H 7.798 0.002 1 324 31 31 GLU HA H 4.624 0.002 1 325 31 31 GLU HB2 H 2.261 0.000 2 326 31 31 GLU HB3 H 1.885 0.000 2 327 31 31 GLU HG2 H 2.245 0.000 2 328 31 31 GLU HG3 H 2.348 0.000 2 329 31 31 GLU C C 175.756 0.000 1 330 31 31 GLU CA C 55.866 0.034 1 331 31 31 GLU CB C 29.868 0.000 1 332 31 31 GLU CG C 36.803 0.000 1 333 31 31 GLU N N 117.998 0.009 1 334 32 32 LEU H H 7.563 0.003 1 335 32 32 LEU HA H 3.667 0.001 1 336 32 32 LEU HB2 H 1.409 0.000 2 337 32 32 LEU HB3 H 1.847 0.000 2 338 32 32 LEU HG H 1.486 0.001 1 339 32 32 LEU HD1 H 0.988 0.002 . 340 32 32 LEU HD2 H 0.856 0.001 . 341 32 32 LEU C C 177.756 0.000 1 342 32 32 LEU CA C 58.585 0.024 1 343 32 32 LEU CB C 42.191 0.000 1 344 32 32 LEU CG C 26.953 0.000 1 345 32 32 LEU CD1 C 23.283 0.025 2 346 32 32 LEU CD2 C 26.313 0.018 2 347 32 32 LEU N N 119.993 0.032 1 348 33 33 GLY H H 8.945 0.002 1 349 33 33 GLY HA2 H 3.797 0.010 . 350 33 33 GLY HA3 H 3.454 0.011 2 351 33 33 GLY C C 175.056 0.000 1 352 33 33 GLY CA C 48.165 0.047 1 353 33 33 GLY N N 106.142 0.008 1 354 34 34 THR H H 7.769 0.003 1 355 34 34 THR HA H 3.830 0.011 1 356 34 34 THR HB H 4.156 0.007 1 357 34 34 THR HG2 H 1.396 0.009 . 358 34 34 THR C C 176.656 0.000 1 359 34 34 THR CA C 66.060 0.021 1 360 34 34 THR CB C 68.395 0.021 1 361 34 34 THR CG2 C 22.733 0.006 1 362 34 34 THR N N 118.402 0.020 1 363 35 35 LEU H H 7.684 0.003 1 364 35 35 LEU HA H 3.667 0.001 1 365 35 35 LEU HB2 H 0.342 0.000 2 366 35 35 LEU HB3 H 1.428 0.000 2 367 35 35 LEU HG H 1.058 0.001 1 368 35 35 LEU HD1 H 0.534 0.002 . 369 35 35 LEU HD2 H -0.088 0.001 . 370 35 35 LEU C C 178.516 0.000 1 371 35 35 LEU CA C 58.395 0.024 1 372 35 35 LEU CB C 40.217 0.000 1 373 35 35 LEU CG C 27.053 0.000 1 374 35 35 LEU CD1 C 22.753 0.025 2 375 35 35 LEU CD2 C 27.113 0.018 2 376 35 35 LEU N N 124.770 0.032 1 377 36 36 MET H H 8.819 0.003 1 378 36 36 MET HA H 3.756 0.000 1 379 36 36 MET HB2 H 1.906 0.000 2 380 36 36 MET HB3 H 2.023 0.000 2 381 36 36 MET HG2 H 2.483 0.000 2 382 36 36 MET HG3 H 2.865 0.000 2 383 36 36 MET HE H 1.763 0.062 . 384 36 36 MET C C 178.535 0.000 1 385 36 36 MET CA C 61.258 0.000 1 386 36 36 MET CB C 32.816 0.000 1 387 36 36 MET CG C 33.383 0.000 1 388 36 36 MET CE C 16.766 0.020 1 389 36 36 MET N N 117.947 0.020 1 390 37 37 ARG H H 8.239 0.002 1 391 37 37 ARG HA H 4.600 0.000 1 392 37 37 ARG HB2 H 1.913 0.000 2 393 37 37 ARG HB3 H 1.957 0.000 2 394 37 37 ARG HG2 H 1.818 0.000 2 395 37 37 ARG HG3 H 1.900 0.000 2 396 37 37 ARG HD2 H 3.080 0.000 2 397 37 37 ARG HD3 H 3.250 0.000 2 398 37 37 ARG C C 181.410 0.000 1 399 37 37 ARG CA C 59.365 0.000 1 400 37 37 ARG CB C 30.336 0.000 1 401 37 37 ARG CG C 29.183 0.000 1 402 37 37 ARG CD C 43.603 0.000 1 403 37 37 ARG N N 118.738 0.044 1 404 38 38 THR H H 8.133 0.003 1 405 38 38 THR HA H 4.206 0.011 1 406 38 38 THR HB H 4.589 0.007 1 407 38 38 THR HG2 H 1.482 0.009 . 408 38 38 THR C C 175.306 0.000 1 409 38 38 THR CA C 66.210 0.021 1 410 38 38 THR CB C 69.168 0.021 1 411 38 38 THR CG2 C 21.343 0.006 1 412 38 38 THR N N 117.721 0.020 1 413 39 39 LEU H H 7.271 0.003 1 414 39 39 LEU HA H 4.576 0.001 1 415 39 39 LEU HB2 H 1.760 0.000 2 416 39 39 LEU HB3 H 1.884 0.000 2 417 39 39 LEU HG H 1.731 0.001 1 418 39 39 LEU HD1 H 1.170 0.002 . 419 39 39 LEU HD2 H 0.983 0.001 . 420 39 39 LEU C C 176.894 0.000 1 421 39 39 LEU CA C 54.363 0.024 1 422 39 39 LEU CB C 42.774 0.000 1 423 39 39 LEU CG C 26.833 0.000 1 424 39 39 LEU CD1 C 22.953 0.025 2 425 39 39 LEU CD2 C 26.703 0.018 2 426 39 39 LEU N N 120.672 0.032 1 427 40 40 GLY H H 7.782 0.002 1 428 40 40 GLY HA2 H 3.816 0.010 . 429 40 40 GLY HA3 H 4.245 0.011 2 430 40 40 GLY C C 174.221 0.000 1 431 40 40 GLY CA C 46.027 0.047 1 432 40 40 GLY N N 107.000 0.008 1 433 41 41 GLN H H 7.928 0.002 1 434 41 41 GLN HA H 4.424 0.002 1 435 41 41 GLN HB2 H 1.522 0.000 2 436 41 41 GLN HB3 H 2.080 0.000 2 437 41 41 GLN HG2 H 1.980 0.000 2 438 41 41 GLN HG3 H 2.184 0.000 2 439 41 41 GLN HE21 H 6.970 0.003 2 440 41 41 GLN HE22 H 7.680 0.003 2 441 41 41 GLN C C 176.626 0.000 1 442 41 41 GLN CA C 53.513 0.038 1 443 41 41 GLN CB C 30.289 0.000 1 444 41 41 GLN CG C 33.283 0.000 1 445 41 41 GLN N N 117.925 0.018 1 446 41 41 GLN NE2 N 113.900 0.003 1 447 42 42 ASN H H 8.651 0.003 1 448 42 42 ASN HA H 5.169 0.007 1 449 42 42 ASN HB2 H 2.737 0.002 2 450 42 42 ASN HB3 H 2.509 0.003 2 451 42 42 ASN HD21 H 6.730 0.003 2 452 42 42 ASN HD22 H 7.500 0.003 2 453 42 42 ASN C C 171.806 0.000 1 454 42 42 ASN CA C 51.037 0.023 1 455 42 42 ASN CB C 39.462 0.064 1 456 42 42 ASN N N 117.147 0.018 1 457 42 42 ASN ND2 N 112.500 0.003 1 458 43 43 PRO HA H 4.723 0.000 1 459 43 43 PRO HB2 H 2.054 0.000 2 460 43 43 PRO HB3 H 1.958 0.000 2 461 43 43 PRO HG2 H 1.911 0.000 2 462 43 43 PRO HG3 H 1.984 0.000 2 463 43 43 PRO HD2 H 3.233 0.003 2 464 43 43 PRO HD3 H 3.658 0.003 2 465 43 43 PRO CA C 62.406 0.000 1 466 43 43 PRO CB C 31.577 0.000 1 467 43 43 PRO CG C 27.123 0.000 1 468 43 43 PRO CD C 50.093 0.014 1 469 43 43 PRO N N 109.600 0.000 1 470 44 44 THR H H 8.895 0.003 1 471 44 44 THR HA H 4.372 0.011 1 472 44 44 THR HB H 4.697 0.007 1 473 44 44 THR HG2 H 1.349 0.009 . 474 44 44 THR C C 174.891 0.000 1 475 44 44 THR CA C 60.915 0.021 1 476 44 44 THR CB C 70.807 0.021 1 477 44 44 THR CG2 C 21.903 0.006 1 478 44 44 THR N N 113.532 0.020 1 479 45 45 GLU H H 8.846 0.002 1 480 45 45 GLU HA H 4.000 0.002 1 481 45 45 GLU HB2 H 2.032 0.000 . 482 45 45 GLU HB3 H 2.032 0.000 . 483 45 45 GLU HG2 H 2.308 0.000 2 484 45 45 GLU HG3 H 2.352 0.000 2 485 45 45 GLU C C 178.919 0.000 1 486 45 45 GLU CA C 60.018 0.034 1 487 45 45 GLU CB C 29.096 0.000 1 488 45 45 GLU CG C 36.223 0.000 1 489 45 45 GLU N N 120.832 0.009 1 490 46 46 ALA H H 8.333 0.003 1 491 46 46 ALA HA H 4.069 0.002 1 492 46 46 ALA HB H 1.372 0.000 . 493 46 46 ALA C C 180.412 0.000 1 494 46 46 ALA CA C 55.023 0.018 1 495 46 46 ALA CB C 18.355 0.000 1 496 46 46 ALA N N 120.900 0.022 1 497 47 47 GLU H H 7.745 0.002 1 498 47 47 GLU HA H 4.012 0.002 1 499 47 47 GLU HB2 H 1.872 0.000 2 500 47 47 GLU HB3 H 2.292 0.000 2 501 47 47 GLU HG2 H 2.248 0.000 2 502 47 47 GLU HG3 H 2.354 0.000 2 503 47 47 GLU C C 179.816 0.000 1 504 47 47 GLU CA C 58.811 0.034 1 505 47 47 GLU CB C 29.820 0.000 1 506 47 47 GLU CG C 37.003 0.000 1 507 47 47 GLU N N 118.856 0.009 1 508 48 48 LEU H H 8.475 0.003 1 509 48 48 LEU HA H 3.925 0.001 1 510 48 48 LEU HB2 H 1.659 0.000 . 511 48 48 LEU HB3 H 1.659 0.000 . 512 48 48 LEU HG H 1.597 0.001 1 513 48 48 LEU HD1 H 0.813 0.002 . 514 48 48 LEU HD2 H 0.813 0.002 . 515 48 48 LEU C C 178.097 0.000 1 516 48 48 LEU CA C 58.090 0.024 1 517 48 48 LEU CB C 41.892 0.000 1 518 48 48 LEU CG C 27.243 0.000 1 519 48 48 LEU CD1 C 24.663 0.025 . 520 48 48 LEU CD2 C 24.663 0.025 . 521 48 48 LEU N N 119.997 0.032 1 522 49 49 GLN H H 8.053 0.002 1 523 49 49 GLN HA H 3.890 0.002 1 524 49 49 GLN HB2 H 2.124 0.000 2 525 49 49 GLN HB3 H 2.159 0.000 2 526 49 49 GLN HG2 H 2.480 0.000 . 527 49 49 GLN HG3 H 2.480 0.000 . 528 49 49 GLN HE21 H 6.830 0.003 2 529 49 49 GLN HE22 H 7.550 0.003 2 530 49 49 GLN C C 178.676 0.000 1 531 49 49 GLN CA C 58.902 0.038 1 532 49 49 GLN CB C 27.915 0.000 1 533 49 49 GLN CG C 33.803 0.000 1 534 49 49 GLN N N 116.632 0.018 1 535 49 49 GLN NE2 N 112.400 0.003 1 536 50 50 ASP H H 7.563 0.000 1 537 50 50 ASP HA H 4.483 0.000 1 538 50 50 ASP HB2 H 2.691 0.000 2 539 50 50 ASP HB3 H 2.735 0.000 2 540 50 50 ASP C C 178.525 0.000 1 541 50 50 ASP CA C 57.284 0.000 1 542 50 50 ASP CB C 40.586 0.000 1 543 50 50 ASP N N 119.443 0.000 1 544 51 51 LEU H H 8.058 0.003 1 545 51 51 LEU HA H 4.062 0.001 1 546 51 51 LEU HB2 H 2.027 0.000 2 547 51 51 LEU HB3 H 1.291 0.000 2 548 51 51 LEU HG H 1.923 0.001 1 549 51 51 LEU HD1 H 0.754 0.002 . 550 51 51 LEU HD2 H 0.874 0.001 . 551 51 51 LEU C C 179.692 0.000 1 552 51 51 LEU CA C 57.774 0.024 1 553 51 51 LEU CB C 42.457 0.000 1 554 51 51 LEU CG C 26.493 0.000 1 555 51 51 LEU CD1 C 25.083 0.025 2 556 51 51 LEU CD2 C 22.863 0.018 2 557 51 51 LEU N N 120.710 0.032 1 558 52 52 ILE H H 8.172 0.003 1 559 52 52 ILE HA H 3.696 0.001 1 560 52 52 ILE HB H 1.901 0.000 1 561 52 52 ILE HG12 H 1.035 0.000 2 562 52 52 ILE HG13 H 1.583 0.000 2 563 52 52 ILE HG2 H 0.842 0.002 . 564 52 52 ILE HD1 H 0.777 0.002 . 565 52 52 ILE C C 176.966 0.000 1 566 52 52 ILE CA C 64.550 0.000 1 567 52 52 ILE CB C 38.513 0.000 1 568 52 52 ILE CG1 C 28.393 0.000 1 569 52 52 ILE CG2 C 17.633 0.016 1 570 52 52 ILE CD1 C 13.783 0.005 1 571 52 52 ILE N N 116.210 0.060 1 572 53 53 ALA H H 7.798 0.003 1 573 53 53 ALA HA H 4.105 0.002 1 574 53 53 ALA HB H 1.517 0.000 . 575 53 53 ALA C C 180.109 0.000 1 576 53 53 ALA CA C 55.323 0.018 1 577 53 53 ALA CB C 18.322 0.000 1 578 53 53 ALA N N 122.621 0.022 1 579 54 54 GLU H H 8.026 0.002 1 580 54 54 GLU HA H 4.102 0.002 1 581 54 54 GLU HB2 H 2.070 0.000 . 582 54 54 GLU HB3 H 2.070 0.000 . 583 54 54 GLU HG2 H 2.261 0.000 2 584 54 54 GLU HG3 H 2.335 0.000 2 585 54 54 GLU C C 177.951 0.000 1 586 54 54 GLU CA C 58.745 0.034 1 587 54 54 GLU CB C 29.359 0.000 1 588 54 54 GLU CG C 36.203 0.000 1 589 54 54 GLU N N 117.507 0.009 1 590 55 55 ALA H H 7.931 0.003 1 591 55 55 ALA HA H 4.297 0.002 1 592 55 55 ALA HB H 1.398 0.000 . 593 55 55 ALA C C 179.999 0.000 1 594 55 55 ALA CA C 53.829 0.018 1 595 55 55 ALA CB C 18.771 0.000 1 596 55 55 ALA N N 122.169 0.022 1 597 56 56 GLU H H 8.536 0.002 1 598 56 56 GLU HA H 3.990 0.002 1 599 56 56 GLU HB2 H 2.060 0.000 2 600 56 56 GLU HB3 H 2.114 0.000 2 601 56 56 GLU HG2 H 2.251 0.000 2 602 56 56 GLU HG3 H 2.345 0.000 2 603 56 56 GLU C C 177.148 0.000 1 604 56 56 GLU CA C 58.641 0.034 1 605 56 56 GLU CB C 29.265 0.000 1 606 56 56 GLU CG C 36.933 0.000 1 607 56 56 GLU N N 118.869 0.009 1 608 57 57 ASN H H 8.110 0.003 1 609 57 57 ASN HA H 4.670 0.007 1 610 57 57 ASN HB2 H 2.780 0.002 . 611 57 57 ASN HB3 H 2.780 0.002 . 612 57 57 ASN HD21 H 6.950 0.003 2 613 57 57 ASN HD22 H 7.720 0.003 2 614 57 57 ASN CA C 54.473 0.023 1 615 57 57 ASN CB C 39.263 0.064 1 616 57 57 ASN N N 117.500 0.018 1 617 57 57 ASN ND2 N 113.600 0.003 1 618 58 58 ASN H H 8.110 0.003 1 619 58 58 ASN HA H 4.800 0.007 1 620 58 58 ASN HB2 H 2.800 0.002 2 621 58 58 ASN HB3 H 2.860 0.003 2 622 58 58 ASN HD21 H 6.950 0.003 2 623 58 58 ASN HD22 H 7.720 0.003 2 624 58 58 ASN CA C 53.943 0.023 1 625 58 58 ASN CB C 39.693 0.064 1 626 58 58 ASN N N 117.500 0.018 1 627 58 58 ASN ND2 N 113.900 0.003 1 628 59 59 ASN HA H 4.890 0.007 1 629 59 59 ASN HB2 H 2.800 0.002 2 630 59 59 ASN HB3 H 3.169 0.003 2 631 59 59 ASN HD21 H 6.910 0.003 2 632 59 59 ASN HD22 H 7.710 0.003 2 633 59 59 ASN CA C 53.463 0.023 1 634 59 59 ASN CB C 39.533 0.064 1 635 59 59 ASN N N 117.500 0.018 1 636 59 59 ASN ND2 N 113.000 0.003 1 637 60 60 ASN H H 8.661 0.003 1 638 60 60 ASN HA H 4.616 0.007 1 639 60 60 ASN HB2 H 2.763 0.002 2 640 60 60 ASN HB3 H 3.018 0.003 2 641 60 60 ASN HD21 H 6.870 0.003 2 642 60 60 ASN HD22 H 7.550 0.003 2 643 60 60 ASN CA C 53.983 0.023 1 644 60 60 ASN CB C 38.273 0.064 1 645 60 60 ASN N N 116.920 0.018 1 646 60 60 ASN ND2 N 112.500 0.003 1 647 61 61 GLY H H 8.387 0.002 1 648 61 61 GLY HA2 H 3.759 0.010 . 649 61 61 GLY HA3 H 4.128 0.011 2 650 61 61 GLY C C 174.303 0.000 1 651 61 61 GLY CA C 46.479 0.047 1 652 61 61 GLY N N 105.683 0.008 1 653 62 62 GLN H H 7.602 0.002 1 654 62 62 GLN HA H 5.341 0.002 1 655 62 62 GLN HB2 H 1.905 0.000 2 656 62 62 GLN HB3 H 1.935 0.000 2 657 62 62 GLN HG2 H 2.178 0.000 2 658 62 62 GLN HG3 H 2.308 0.000 2 659 62 62 GLN HE21 H 6.760 0.003 2 660 62 62 GLN HE22 H 7.340 0.003 2 661 62 62 GLN C C 174.380 0.000 1 662 62 62 GLN CA C 54.267 0.038 1 663 62 62 GLN CB C 33.506 0.000 1 664 62 62 GLN CG C 33.759 0.000 1 665 62 62 GLN N N 118.885 0.018 1 666 62 62 GLN NE2 N 111.400 0.003 1 667 63 63 LEU H H 9.080 0.003 1 668 63 63 LEU HA H 4.995 0.001 1 669 63 63 LEU HB2 H 1.650 0.000 . 670 63 63 LEU HB3 H 1.650 0.000 . 671 63 63 LEU HG H 1.646 0.001 1 672 63 63 LEU HD1 H 0.848 0.002 . 673 63 63 LEU HD2 H 0.855 0.001 . 674 63 63 LEU C C 175.774 0.000 1 675 63 63 LEU CA C 53.704 0.024 1 676 63 63 LEU CB C 46.156 0.000 1 677 63 63 LEU CG C 26.123 0.000 1 678 63 63 LEU CD1 C 25.573 0.025 2 679 63 63 LEU CD2 C 27.573 0.018 2 680 63 63 LEU N N 121.039 0.032 1 681 64 64 ASN H H 9.220 0.003 1 682 64 64 ASN HA H 5.658 0.007 1 683 64 64 ASN HB2 H 3.502 0.003 2 684 64 64 ASN HB3 H 2.782 0.002 2 685 64 64 ASN HD21 H 6.910 0.003 2 686 64 64 ASN HD22 H 7.450 0.003 2 687 64 64 ASN C C 175.612 0.000 1 688 64 64 ASN CA C 50.934 0.023 1 689 64 64 ASN CB C 39.275 0.064 1 690 64 64 ASN N N 120.418 0.018 1 691 64 64 ASN ND2 N 110.700 0.003 1 692 65 65 PHE H H 8.662 0.006 1 693 65 65 PHE HA H 3.618 0.009 1 694 65 65 PHE HB2 H 2.331 0.011 2 695 65 65 PHE HB3 H 2.657 0.012 2 696 65 65 PHE HD1 H 6.610 0.011 . 697 65 65 PHE HD2 H 6.610 0.011 . 698 65 65 PHE HE1 H 6.800 0.012 . 699 65 65 PHE HE2 H 6.800 0.012 . 700 65 65 PHE HZ H 7.530 0.700 1 701 65 65 PHE C C 177.260 0.000 1 702 65 65 PHE CA C 62.025 0.024 1 703 65 65 PHE CB C 39.109 0.008 1 704 65 65 PHE N N 118.351 0.027 1 705 66 66 THR H H 8.119 0.003 1 706 66 66 THR HA H 3.604 0.011 1 707 66 66 THR HB H 4.196 0.007 1 708 66 66 THR HG2 H 1.221 0.009 . 709 66 66 THR C C 177.783 0.000 1 710 66 66 THR CA C 66.983 0.021 1 711 66 66 THR CB C 68.342 0.021 1 712 66 66 THR CG2 C 21.903 0.006 1 713 66 66 THR N N 117.481 0.020 1 714 67 67 GLU H H 8.750 0.002 1 715 67 67 GLU HA H 3.975 0.002 1 716 67 67 GLU HB2 H 1.870 0.000 2 717 67 67 GLU HB3 H 2.357 0.000 2 718 67 67 GLU HG2 H 2.260 0.000 2 719 67 67 GLU HG3 H 2.493 0.000 2 720 67 67 GLU C C 179.994 0.000 1 721 67 67 GLU CA C 58.939 0.034 1 722 67 67 GLU CB C 29.908 0.000 1 723 67 67 GLU CG C 36.903 0.000 1 724 67 67 GLU N N 123.511 0.009 1 725 68 68 PHE H H 8.682 0.006 1 726 68 68 PHE HA H 4.085 0.009 1 727 68 68 PHE HB2 H 3.175 0.011 . 728 68 68 PHE HB3 H 3.175 0.011 . 729 68 68 PHE HD1 H 6.960 0.009 . 730 68 68 PHE HD2 H 6.960 0.009 . 731 68 68 PHE HE1 H 7.230 0.011 . 732 68 68 PHE HE2 H 7.230 0.011 . 733 68 68 PHE HZ H 7.130 0.700 1 734 68 68 PHE C C 176.165 0.000 1 735 68 68 PHE CA C 61.510 0.024 1 736 68 68 PHE CB C 39.181 0.008 1 737 68 68 PHE N N 120.923 0.027 1 738 69 69 CYS H H 8.324 0.006 1 739 69 69 CYS HA H 3.349 0.009 1 740 69 69 CYS HB2 H 2.786 0.012 2 741 69 69 CYS HB3 H 2.334 0.011 2 742 69 69 CYS C C 176.326 0.000 1 743 69 69 CYS CA C 65.099 0.024 1 744 69 69 CYS CB C 26.522 0.008 1 745 69 69 CYS N N 117.716 0.027 1 746 70 70 GLY H H 7.691 0.002 1 747 70 70 GLY HA2 H 3.737 0.010 . 748 70 70 GLY HA3 H 3.807 0.011 2 749 70 70 GLY C C 176.342 0.000 1 750 70 70 GLY CA C 47.087 0.047 1 751 70 70 GLY N N 106.441 0.008 1 752 71 71 ILE H H 7.548 0.003 1 753 71 71 ILE HA H 3.588 0.001 1 754 71 71 ILE HB H 1.813 0.000 1 755 71 71 ILE HG12 H 1.066 0.000 2 756 71 71 ILE HG13 H 1.713 0.000 2 757 71 71 ILE HG2 H 0.801 0.002 . 758 71 71 ILE HD1 H 0.815 0.002 . 759 71 71 ILE C C 177.912 0.000 1 760 71 71 ILE CA C 65.248 0.000 1 761 71 71 ILE CB C 38.346 0.000 1 762 71 71 ILE CG1 C 29.613 0.000 1 763 71 71 ILE CG2 C 17.383 0.016 1 764 71 71 ILE CD1 C 14.876 0.005 1 765 71 71 ILE N N 124.033 0.060 1 766 72 72 MET H H 7.722 0.003 1 767 72 72 MET HA H 3.972 0.000 1 768 72 72 MET HB2 H 1.515 0.000 2 769 72 72 MET HB3 H 1.407 0.000 2 770 72 72 MET HG2 H 0.928 0.000 2 771 72 72 MET HG3 H 1.042 0.000 2 772 72 72 MET HE H 1.530 0.062 . 773 72 72 MET C C 178.436 0.000 1 774 72 72 MET CA C 56.043 0.000 1 775 72 72 MET CB C 30.381 0.000 1 776 72 72 MET CG C 32.413 0.000 1 777 72 72 MET CE C 16.843 0.020 1 778 72 72 MET N N 117.948 0.020 1 779 73 73 ALA H H 8.363 0.003 1 780 73 73 ALA HA H 3.985 0.002 1 781 73 73 ALA HB H 1.424 0.000 . 782 73 73 ALA C C 179.913 0.000 1 783 73 73 ALA CA C 55.218 0.018 1 784 73 73 ALA CB C 18.002 0.000 1 785 73 73 ALA N N 120.599 0.022 1 786 74 74 LYS H H 7.403 0.002 1 787 74 74 LYS HA H 3.970 0.007 1 788 74 74 LYS HB2 H 1.871 0.000 2 789 74 74 LYS HB3 H 1.906 0.000 2 790 74 74 LYS HG2 H 1.374 0.000 2 791 74 74 LYS HG3 H 1.502 0.000 2 792 74 74 LYS HD2 H 1.617 0.000 . 793 74 74 LYS HD3 H 1.617 0.000 . 794 74 74 LYS HE2 H 2.903 0.000 . 795 74 74 LYS HE3 H 2.903 0.000 . 796 74 74 LYS C C 178.427 0.000 1 797 74 74 LYS CA C 59.131 0.045 1 798 74 74 LYS CB C 32.454 0.045 1 799 74 74 LYS CG C 25.203 0.000 1 800 74 74 LYS CD C 29.503 0.000 1 801 74 74 LYS CE C 42.013 0.000 1 802 74 74 LYS N N 117.336 0.039 1 803 75 75 GLN H H 8.009 0.002 1 804 75 75 GLN HA H 4.011 0.002 1 805 75 75 GLN HB2 H 2.016 0.000 2 806 75 75 GLN HB3 H 2.056 0.000 2 807 75 75 GLN HG2 H 2.303 0.000 . 808 75 75 GLN HG3 H 2.303 0.000 . 809 75 75 GLN HE21 H 6.760 0.003 2 810 75 75 GLN HE22 H 7.360 0.003 2 811 75 75 GLN C C 177.656 0.000 1 812 75 75 GLN CA C 57.305 0.038 1 813 75 75 GLN CB C 28.195 0.000 1 814 75 75 GLN CG C 33.063 0.000 1 815 75 75 GLN N N 118.802 0.018 1 816 75 75 GLN NE2 N 110.000 0.003 1 817 76 76 MET H H 8.034 0.003 1 818 76 76 MET HA H 4.198 0.000 1 819 76 76 MET HB2 H 2.028 0.000 2 820 76 76 MET HB3 H 2.221 0.000 2 821 76 76 MET HG2 H 2.544 0.000 2 822 76 76 MET HG3 H 2.684 0.000 2 823 76 76 MET HE H 2.104 0.062 . 824 76 76 MET C C 176.615 0.000 1 825 76 76 MET CA C 57.128 0.000 1 826 76 76 MET CB C 33.411 0.000 1 827 76 76 MET CG C 32.133 0.000 1 828 76 76 MET CE C 16.861 0.020 1 829 76 76 MET N N 116.809 0.020 1 830 77 77 ARG H H 7.633 0.002 1 831 77 77 ARG HA H 4.265 0.000 1 832 77 77 ARG HB2 H 1.906 0.000 . 833 77 77 ARG HB3 H 1.906 0.000 . 834 77 77 ARG HG2 H 1.682 0.000 2 835 77 77 ARG HG3 H 1.730 0.000 2 836 77 77 ARG HD2 H 3.203 0.000 . 837 77 77 ARG HD3 H 3.203 0.000 . 838 77 77 ARG C C 176.856 0.000 1 839 77 77 ARG CA C 57.255 0.000 1 840 77 77 ARG CB C 30.674 0.000 1 841 77 77 ARG CG C 27.183 0.000 1 842 77 77 ARG CD C 43.543 0.000 1 843 77 77 ARG N N 120.038 0.044 1 844 78 78 GLU H H 8.344 0.002 1 845 78 78 GLU HA H 4.339 0.002 1 846 78 78 GLU HB2 H 1.990 0.000 2 847 78 78 GLU HB3 H 2.116 0.000 2 848 78 78 GLU HG2 H 2.275 0.000 2 849 78 78 GLU HG3 H 2.364 0.000 2 850 78 78 GLU C C 176.976 0.000 1 851 78 78 GLU CA C 57.043 0.034 1 852 78 78 GLU CB C 30.033 0.000 1 853 78 78 GLU CG C 35.973 0.000 1 854 78 78 GLU N N 121.600 0.009 1 855 79 79 THR H H 8.211 0.003 1 856 79 79 THR HA H 4.313 0.011 1 857 79 79 THR HB H 4.251 0.007 1 858 79 79 THR HG2 H 1.228 0.009 . 859 79 79 THR C C 174.379 0.000 1 860 79 79 THR CA C 62.473 0.021 1 861 79 79 THR CB C 69.753 0.021 1 862 79 79 THR CG2 C 21.753 0.006 1 863 79 79 THR N N 116.027 0.020 1 864 80 80 ASP H H 8.530 0.000 1 865 80 80 ASP HA H 4.746 0.000 1 866 80 80 ASP HB2 H 2.770 0.000 2 867 80 80 ASP HB3 H 2.719 0.000 2 868 80 80 ASP C C 176.806 0.000 1 869 80 80 ASP CA C 54.811 0.000 1 870 80 80 ASP CB C 41.183 0.000 1 871 80 80 ASP N N 123.851 0.000 1 872 81 81 THR H H 8.333 0.003 1 873 81 81 THR HA H 4.319 0.011 1 874 81 81 THR HB H 4.444 0.007 1 875 81 81 THR HG2 H 1.290 0.009 . 876 81 81 THR C C 175.438 0.000 1 877 81 81 THR CA C 63.093 0.021 1 878 81 81 THR CB C 69.993 0.021 1 879 81 81 THR CG2 C 21.843 0.006 1 880 81 81 THR N N 114.845 0.020 1 881 82 82 GLU H H 8.495 0.002 1 882 82 82 GLU HA H 4.175 0.002 1 883 82 82 GLU HB2 H 2.153 0.000 . 884 82 82 GLU HB3 H 2.153 0.000 . 885 82 82 GLU HG2 H 2.286 0.000 2 886 82 82 GLU HG3 H 2.474 0.000 2 887 82 82 GLU C C 177.756 0.000 1 888 82 82 GLU CA C 59.194 0.034 1 889 82 82 GLU CB C 29.413 0.000 1 890 82 82 GLU CG C 36.193 0.000 1 891 82 82 GLU N N 122.584 0.009 1 892 83 83 GLU H H 8.366 0.002 1 893 83 83 GLU HA H 4.023 0.002 1 894 83 83 GLU HB2 H 2.050 0.000 2 895 83 83 GLU HB3 H 2.100 0.000 2 896 83 83 GLU HG2 H 2.320 0.000 2 897 83 83 GLU HG3 H 2.360 0.000 2 898 83 83 GLU C C 178.908 0.000 1 899 83 83 GLU CA C 59.662 0.034 1 900 83 83 GLU CB C 29.403 0.000 1 901 83 83 GLU CG C 36.463 1.000 1 902 83 83 GLU N N 118.951 0.009 1 903 84 84 GLU H H 8.116 0.002 1 904 84 84 GLU HA H 4.130 0.002 1 905 84 84 GLU HB2 H 2.120 0.000 2 906 84 84 GLU HB3 H 2.260 0.000 2 907 84 84 GLU HG2 H 2.350 0.000 2 908 84 84 GLU HG3 H 2.450 0.000 2 909 84 84 GLU C C 179.742 0.000 1 910 84 84 GLU CA C 59.413 0.034 1 911 84 84 GLU CB C 29.522 0.000 1 912 84 84 GLU CG C 36.463 1.000 1 913 84 84 GLU N N 119.061 0.009 1 914 85 85 MET H H 8.385 0.003 1 915 85 85 MET HA H 4.508 0.000 1 916 85 85 MET HB2 H 2.684 0.000 2 917 85 85 MET HB3 H 2.221 0.000 2 918 85 85 MET HG2 H 2.596 0.000 2 919 85 85 MET HG3 H 2.863 0.000 2 920 85 85 MET HE H 2.003 0.062 . 921 85 85 MET C C 178.433 0.000 1 922 85 85 MET CA C 58.963 0.000 1 923 85 85 MET CB C 32.943 0.000 1 924 85 85 MET CG C 33.143 0.000 1 925 85 85 MET CE C 17.412 0.020 1 926 85 85 MET N N 120.602 0.020 1 927 86 86 ARG H H 8.604 0.002 1 928 86 86 ARG HA H 4.090 0.000 1 929 86 86 ARG HB2 H 1.761 0.000 2 930 86 86 ARG HB3 H 2.049 0.000 2 931 86 86 ARG HG2 H 1.515 0.000 2 932 86 86 ARG HG3 H 1.761 0.000 2 933 86 86 ARG HD2 H 2.794 0.000 2 934 86 86 ARG HD3 H 2.858 0.000 2 935 86 86 ARG C C 179.516 0.000 1 936 86 86 ARG CA C 59.563 0.000 1 937 86 86 ARG CB C 29.774 0.000 1 938 86 86 ARG CG C 27.093 0.000 1 939 86 86 ARG CD C 42.933 0.000 1 940 86 86 ARG N N 120.667 0.044 1 941 87 87 GLU H H 8.085 0.002 1 942 87 87 GLU HA H 4.065 0.002 1 943 87 87 GLU HB2 H 2.132 0.000 2 944 87 87 GLU HB3 H 2.158 0.000 2 945 87 87 GLU HG2 H 2.474 0.000 . 946 87 87 GLU HG3 H 2.474 0.000 . 947 87 87 GLU C C 178.863 0.000 1 948 87 87 GLU CA C 59.103 0.034 1 949 87 87 GLU CB C 29.266 0.000 1 950 87 87 GLU CG C 35.973 0.000 1 951 87 87 GLU N N 119.088 0.009 1 952 88 88 ALA H H 8.142 0.003 1 953 88 88 ALA HA H 4.207 0.002 1 954 88 88 ALA HB H 1.786 0.000 . 955 88 88 ALA C C 179.054 0.000 1 956 88 88 ALA CA C 55.190 0.018 1 957 88 88 ALA CB C 17.942 0.000 1 958 88 88 ALA N N 122.357 0.022 1 959 89 89 PHE H H 8.517 0.006 1 960 89 89 PHE HA H 3.091 0.009 1 961 89 89 PHE HB2 H 3.045 0.011 2 962 89 89 PHE HB3 H 3.135 0.011 2 963 89 89 PHE HD1 H 7.230 0.009 . 964 89 89 PHE HD2 H 7.230 0.009 . 965 89 89 PHE HE1 H 6.930 0.011 . 966 89 89 PHE HE2 H 6.930 0.011 . 967 89 89 PHE HZ H 6.980 0.700 1 968 89 89 PHE C C 176.467 0.000 1 969 89 89 PHE CA C 62.105 0.024 1 970 89 89 PHE CB C 39.461 0.008 1 971 89 89 PHE N N 118.951 0.027 1 972 90 90 LYS H H 7.557 0.002 1 973 90 90 LYS HA H 3.869 0.007 1 974 90 90 LYS HB2 H 1.934 0.000 . 975 90 90 LYS HB3 H 1.934 0.000 . 976 90 90 LYS HG2 H 1.515 0.000 2 977 90 90 LYS HG3 H 1.759 0.000 2 978 90 90 LYS HD2 H 1.700 0.000 . 979 90 90 LYS HD3 H 1.700 0.000 . 980 90 90 LYS HE2 H 2.924 0.000 . 981 90 90 LYS HE3 H 2.924 0.000 . 982 90 90 LYS C C 177.972 0.000 1 983 90 90 LYS CA C 59.042 0.045 1 984 90 90 LYS CB C 32.666 0.045 1 985 90 90 LYS CG C 25.473 0.000 1 986 90 90 LYS CD C 29.583 0.000 1 987 90 90 LYS CE C 42.023 0.000 1 988 90 90 LYS N N 115.324 0.039 1 989 91 91 ILE H H 7.376 0.003 1 990 91 91 ILE HA H 3.594 0.001 1 991 91 91 ILE HB H 2.022 0.000 1 992 91 91 ILE HG12 H 1.210 0.000 2 993 91 91 ILE HG13 H 1.658 0.000 2 994 91 91 ILE HG2 H 0.648 0.002 . 995 91 91 ILE HD1 H 0.827 0.002 . 996 91 91 ILE C C 177.206 0.000 1 997 91 91 ILE CA C 63.655 0.000 1 998 91 91 ILE CB C 37.408 0.000 1 999 91 91 ILE CG1 C 28.623 0.000 1 1000 91 91 ILE CG2 C 16.913 0.016 1 1001 91 91 ILE CD1 C 12.792 0.005 1 1002 91 91 ILE N N 117.994 0.060 1 1003 92 92 PHE H H 7.306 0.006 1 1004 92 92 PHE HA H 4.240 0.009 1 1005 92 92 PHE HB2 H 2.597 0.011 2 1006 92 92 PHE HB3 H 2.636 0.012 2 1007 92 92 PHE HD1 H 7.300 0.024 . 1008 92 92 PHE HD2 H 7.300 0.024 . 1009 92 92 PHE HE1 H 7.360 0.008 . 1010 92 92 PHE HE2 H 7.360 0.008 . 1011 92 92 PHE HZ H 6.990 0.700 1 1012 92 92 PHE C C 176.627 0.000 1 1013 92 92 PHE CA C 59.924 0.024 1 1014 92 92 PHE CB C 40.363 0.008 1 1015 92 92 PHE N N 117.091 0.027 1 1016 93 93 ASP H H 7.809 0.000 1 1017 93 93 ASP HA H 4.499 0.000 1 1018 93 93 ASP HB2 H 1.417 0.000 2 1019 93 93 ASP HB3 H 2.313 0.000 2 1020 93 93 ASP C C 176.889 0.000 1 1021 93 93 ASP CA C 52.125 0.000 1 1022 93 93 ASP CB C 38.334 0.000 1 1023 93 93 ASP N N 116.600 0.000 1 1024 94 94 ARG H H 7.558 0.002 1 1025 94 94 ARG HA H 3.861 0.000 1 1026 94 94 ARG HB2 H 1.720 0.000 2 1027 94 94 ARG HB3 H 1.862 0.000 2 1028 94 94 ARG HG2 H 1.607 0.000 2 1029 94 94 ARG HG3 H 1.723 0.000 2 1030 94 94 ARG HD2 H 2.978 0.000 2 1031 94 94 ARG HD3 H 3.118 0.000 2 1032 94 94 ARG C C 178.098 0.000 1 1033 94 94 ARG CA C 58.855 0.000 1 1034 94 94 ARG CB C 30.578 0.000 1 1035 94 94 ARG CG C 26.933 0.000 1 1036 94 94 ARG CD C 42.933 0.000 1 1037 94 94 ARG N N 124.604 0.044 1 1038 95 95 ASP H H 8.236 0.000 1 1039 95 95 ASP HA H 4.551 0.000 1 1040 95 95 ASP HB2 H 2.587 0.000 2 1041 95 95 ASP HB3 H 3.066 0.000 2 1042 95 95 ASP C C 177.768 0.000 1 1043 95 95 ASP CA C 53.012 0.000 1 1044 95 95 ASP CB C 39.908 0.000 1 1045 95 95 ASP N N 114.063 0.000 1 1046 96 96 GLY H H 7.683 0.002 1 1047 96 96 GLY HA2 H 3.812 0.010 . 1048 96 96 GLY HA3 H 3.880 0.010 2 1049 96 96 GLY C C 175.063 0.000 1 1050 96 96 GLY CA C 47.428 0.047 1 1051 96 96 GLY N N 109.681 0.008 1 1052 97 97 ASP H H 8.486 0.000 1 1053 97 97 ASP HA H 4.473 0.000 1 1054 97 97 ASP HB2 H 3.155 0.000 2 1055 97 97 ASP HB3 H 2.580 0.000 2 1056 97 97 ASP C C 176.646 0.000 1 1057 97 97 ASP CA C 54.089 0.000 1 1058 97 97 ASP CB C 40.442 0.000 1 1059 97 97 ASP N N 121.078 0.000 1 1060 98 98 GLY H H 10.407 0.002 1 1061 98 98 GLY HA2 H 3.427 0.010 . 1062 98 98 GLY HA3 H 4.019 0.011 2 1063 98 98 GLY C C 172.349 0.000 1 1064 98 98 GLY CA C 45.043 0.047 1 1065 98 98 GLY N N 112.407 0.008 1 1066 99 99 PHE H H 8.167 0.006 1 1067 99 99 PHE HA H 5.167 0.009 1 1068 99 99 PHE HB2 H 2.739 0.011 2 1069 99 99 PHE HB3 H 2.830 0.012 2 1070 99 99 PHE HD1 H 6.910 0.011 . 1071 99 99 PHE HD2 H 6.910 0.011 . 1072 99 99 PHE HE1 H 7.450 0.012 . 1073 99 99 PHE HE2 H 7.450 0.012 . 1074 99 99 PHE HZ H 6.992 0.700 1 1075 99 99 PHE C C 174.557 0.000 1 1076 99 99 PHE CA C 56.153 0.024 1 1077 99 99 PHE CB C 44.487 0.008 1 1078 99 99 PHE N N 117.125 0.027 1 1079 100 100 ILE H H 10.262 0.003 1 1080 100 100 ILE HA H 4.766 0.001 1 1081 100 100 ILE HB H 1.939 0.000 1 1082 100 100 ILE HG12 H 0.228 0.000 2 1083 100 100 ILE HG13 H 1.233 0.000 2 1084 100 100 ILE HG2 H 0.965 0.002 . 1085 100 100 ILE HD1 H 0.345 0.002 . 1086 100 100 ILE C C 175.467 0.000 1 1087 100 100 ILE CA C 60.534 0.000 1 1088 100 100 ILE CB C 38.837 0.000 1 1089 100 100 ILE CG1 C 26.803 0.000 1 1090 100 100 ILE CG2 C 18.063 0.016 1 1091 100 100 ILE CD1 C 15.999 0.005 1 1092 100 100 ILE N N 126.277 0.060 1 1093 101 101 SER H H 9.526 0.003 1 1094 101 101 SER HA H 5.095 0.004 1 1095 101 101 SER HB2 H 4.010 0.010 2 1096 101 101 SER HB3 H 4.429 0.010 2 1097 101 101 SER C C 173.416 0.000 1 1098 101 101 SER CA C 55.900 0.030 1 1099 101 101 SER CB C 63.540 0.007 1 1100 101 101 SER N N 126.018 0.034 1 1101 102 102 PRO HA H 4.114 0.000 1 1102 102 102 PRO HB2 H 2.017 0.000 2 1103 102 102 PRO HB3 H 2.365 0.000 2 1104 102 102 PRO HG2 H 2.098 0.000 2 1105 102 102 PRO HG3 H 2.350 0.000 2 1106 102 102 PRO HD2 H 4.011 0.003 2 1107 102 102 PRO HD3 H 4.057 0.005 2 1108 102 102 PRO CA C 66.502 0.000 1 1109 102 102 PRO CB C 31.474 0.000 1 1110 102 102 PRO CG C 28.483 0.000 1 1111 102 102 PRO CD C 49.943 0.014 1 1112 102 102 PRO N N 107.500 0.000 1 1113 103 103 ALA H H 8.008 0.003 1 1114 103 103 ALA HA H 4.102 0.002 1 1115 103 103 ALA HB H 1.416 0.000 . 1116 103 103 ALA C C 181.414 0.000 1 1117 103 103 ALA CA C 55.157 0.018 1 1118 103 103 ALA CB C 18.656 0.000 1 1119 103 103 ALA N N 117.316 0.022 1 1120 104 104 GLU H H 7.979 0.002 1 1121 104 104 GLU HA H 4.070 0.002 1 1122 104 104 GLU HB2 H 2.631 0.002 2 1123 104 104 GLU HB3 H 2.669 0.002 2 1124 104 104 GLU HG2 H 2.243 0.002 . 1125 104 104 GLU HG3 H 2.243 0.002 . 1126 104 104 GLU C C 178.662 0.000 1 1127 104 104 GLU CA C 59.436 0.034 1 1128 104 104 GLU CB C 29.311 0.000 1 1129 104 104 GLU CG C 37.923 1.000 1 1130 104 104 GLU N N 121.081 0.009 1 1131 105 105 LEU H H 8.539 0.003 1 1132 105 105 LEU HA H 4.134 0.001 1 1133 105 105 LEU HB2 H 1.956 0.000 2 1134 105 105 LEU HB3 H 1.509 0.000 2 1135 105 105 LEU HG H 1.672 0.001 1 1136 105 105 LEU HD1 H 0.947 0.002 . 1137 105 105 LEU HD2 H 0.943 0.001 . 1138 105 105 LEU C C 178.194 0.000 1 1139 105 105 LEU CA C 58.337 0.024 1 1140 105 105 LEU CB C 42.163 0.000 1 1141 105 105 LEU CG C 27.283 0.000 1 1142 105 105 LEU CD1 C 26.473 0.025 2 1143 105 105 LEU CD2 C 24.143 0.018 2 1144 105 105 LEU N N 120.648 0.032 1 1145 106 106 ARG H H 8.296 0.002 1 1146 106 106 ARG HA H 3.758 0.000 1 1147 106 106 ARG HB2 H 1.903 0.000 . 1148 106 106 ARG HB3 H 1.903 0.000 . 1149 106 106 ARG HG2 H 1.686 0.000 2 1150 106 106 ARG HG3 H 1.733 0.000 2 1151 106 106 ARG HD2 H 3.181 0.000 2 1152 106 106 ARG HD3 H 3.242 0.000 2 1153 106 106 ARG C C 176.930 0.000 1 1154 106 106 ARG CA C 60.248 0.000 1 1155 106 106 ARG CB C 30.632 0.000 1 1156 106 106 ARG CG C 27.163 0.000 1 1157 106 106 ARG CD C 43.343 0.000 1 1158 106 106 ARG N N 117.088 0.044 1 1159 107 107 PHE H H 7.848 0.006 1 1160 107 107 PHE HA H 4.085 0.009 1 1161 107 107 PHE HB2 H 3.265 0.012 . 1162 107 107 PHE HB3 H 3.265 0.012 . 1163 107 107 PHE HD1 H 7.200 0.011 . 1164 107 107 PHE HD2 H 7.200 0.011 . 1165 107 107 PHE HE1 H 7.230 0.012 . 1166 107 107 PHE HE2 H 7.230 0.012 . 1167 107 107 PHE HZ H 7.130 0.700 1 1168 107 107 PHE C C 177.920 0.000 1 1169 107 107 PHE CA C 61.529 0.024 1 1170 107 107 PHE CB C 39.675 0.008 1 1171 107 107 PHE N N 117.200 0.027 1 1172 108 108 VAL H H 8.079 0.003 1 1173 108 108 VAL HA H 3.421 0.005 1 1174 108 108 VAL HB H 2.005 0.006 1 1175 108 108 VAL HG1 H 0.324 0.004 . 1176 108 108 VAL HG2 H 0.928 0.006 . 1177 108 108 VAL C C 177.756 0.000 1 1178 108 108 VAL CA C 66.513 0.032 1 1179 108 108 VAL CB C 31.673 0.038 1 1180 108 108 VAL CG1 C 20.933 0.015 2 1181 108 108 VAL CG2 C 23.373 0.021 2 1182 108 108 VAL N N 118.700 0.011 1 1183 109 109 MET H H 8.120 0.003 1 1184 109 109 MET HA H 4.100 0.000 1 1185 109 109 MET HB2 H 2.180 0.000 2 1186 109 109 MET HB3 H 1.900 0.000 2 1187 109 109 MET HG2 H 2.700 0.000 . 1188 109 109 MET HG3 H 2.700 0.000 . 1189 109 109 MET HE H 2.020 0.062 . 1190 109 109 MET C C 178.656 0.000 1 1191 109 109 MET CA C 58.863 0.000 1 1192 109 109 MET CB C 31.833 0.000 1 1193 109 109 MET CG C 33.483 0.000 1 1194 109 109 MET CE C 17.712 0.020 1 1195 109 109 MET N N 116.600 0.020 1 1196 110 110 ILE H H 8.210 0.003 1 1197 110 110 ILE HA H 3.969 0.001 1 1198 110 110 ILE HB H 1.866 0.000 1 1199 110 110 ILE HG12 H 1.259 0.000 2 1200 110 110 ILE HG13 H 1.629 0.000 2 1201 110 110 ILE HG2 H 0.835 0.002 . 1202 110 110 ILE HD1 H 0.835 0.002 . 1203 110 110 ILE C C 180.256 0.000 1 1204 110 110 ILE CA C 64.163 0.000 1 1205 110 110 ILE CB C 37.343 0.000 1 1206 110 110 ILE CG1 C 29.143 0.000 1 1207 110 110 ILE CG2 C 17.063 0.016 1 1208 110 110 ILE CD1 C 12.995 0.005 1 1209 110 110 ILE N N 118.400 0.060 1 1210 111 111 ASN H H 7.746 0.003 1 1211 111 111 ASN HA H 4.382 0.007 1 1212 111 111 ASN HB2 H 2.551 0.007 2 1213 111 111 ASN HB3 H 2.631 0.007 2 1214 111 111 ASN HD21 H 6.190 0.003 2 1215 111 111 ASN HD22 H 7.210 0.003 2 1216 111 111 ASN CA C 56.263 0.023 1 1217 111 111 ASN CB C 38.703 0.023 1 1218 111 111 ASN N N 120.800 0.018 1 1219 111 111 ASN ND2 N 112.900 0.003 1 1220 112 112 LEU H H 7.965 0.003 1 1221 112 112 LEU HA H 4.313 0.001 1 1222 112 112 LEU HB2 H 1.906 0.000 2 1223 112 112 LEU HB3 H 1.695 0.000 2 1224 112 112 LEU HG H 1.816 0.001 1 1225 112 112 LEU HD1 H 0.810 0.002 . 1226 112 112 LEU HD2 H 0.813 0.001 . 1227 112 112 LEU C C 177.556 0.000 1 1228 112 112 LEU CA C 55.363 0.024 1 1229 112 112 LEU CB C 42.382 0.000 1 1230 112 112 LEU CG C 26.363 0.000 1 1231 112 112 LEU CD1 C 25.733 0.025 2 1232 112 112 LEU CD2 C 22.453 0.018 2 1233 112 112 LEU N N 118.802 0.032 1 1234 113 113 GLY H H 7.887 0.002 1 1235 113 113 GLY HA2 H 4.165 0.010 . 1236 113 113 GLY HA3 H 3.744 0.010 2 1237 113 113 GLY C C 174.508 0.000 1 1238 113 113 GLY CA C 45.500 0.047 1 1239 113 113 GLY N N 107.260 0.008 1 1240 114 114 GLU H H 7.889 0.002 1 1241 114 114 GLU HA H 4.316 0.002 1 1242 114 114 GLU HB2 H 1.733 0.000 2 1243 114 114 GLU HB3 H 1.957 0.000 2 1244 114 114 GLU HG2 H 2.111 0.000 2 1245 114 114 GLU HG3 H 2.248 0.000 2 1246 114 114 GLU C C 175.790 0.000 1 1247 114 114 GLU CA C 55.581 0.034 1 1248 114 114 GLU CB C 30.502 0.000 1 1249 114 114 GLU CG C 35.473 0.000 1 1250 114 114 GLU N N 119.865 0.009 1 1251 115 115 LYS H H 8.591 0.002 1 1252 115 115 LYS HA H 4.366 0.007 1 1253 115 115 LYS HB2 H 1.726 0.000 2 1254 115 115 LYS HB3 H 1.775 0.000 2 1255 115 115 LYS HG2 H 1.331 0.000 2 1256 115 115 LYS HG3 H 1.420 0.000 2 1257 115 115 LYS HD2 H 1.629 0.000 2 1258 115 115 LYS HD3 H 1.657 0.000 2 1259 115 115 LYS HE2 H 2.967 0.000 . 1260 115 115 LYS HE3 H 2.967 0.000 . 1261 115 115 LYS C C 175.643 0.000 1 1262 115 115 LYS CA C 55.704 0.045 1 1263 115 115 LYS CB C 31.442 0.045 1 1264 115 115 LYS CG C 24.543 0.000 1 1265 115 115 LYS CD C 28.973 0.000 1 1266 115 115 LYS CE C 42.143 0.000 1 1267 115 115 LYS N N 123.971 0.039 1 1268 116 116 VAL H H 7.740 0.003 1 1269 116 116 VAL HA H 4.658 0.005 1 1270 116 116 VAL HB H 2.017 0.006 1 1271 116 116 VAL HG1 H 0.891 0.006 . 1272 116 116 VAL HG2 H 0.891 0.004 . 1273 116 116 VAL C C 175.437 0.000 1 1274 116 116 VAL CA C 60.027 0.032 1 1275 116 116 VAL CB C 34.660 0.038 1 1276 116 116 VAL CG1 C 21.773 0.021 2 1277 116 116 VAL CG2 C 20.183 0.015 2 1278 116 116 VAL N N 120.093 0.011 1 1279 117 117 THR H H 8.535 0.003 1 1280 117 117 THR HA H 4.587 0.011 1 1281 117 117 THR HB H 4.719 0.007 1 1282 117 117 THR HG2 H 1.288 0.009 . 1283 117 117 THR C C 175.305 0.000 1 1284 117 117 THR CA C 60.175 0.021 1 1285 117 117 THR CB C 71.671 0.021 1 1286 117 117 THR CG2 C 21.753 0.006 1 1287 117 117 THR N N 115.774 0.020 1 1288 118 118 ASP H H 8.897 0.000 1 1289 118 118 ASP HA H 4.278 0.000 1 1290 118 118 ASP HB2 H 2.575 0.000 2 1291 118 118 ASP HB3 H 2.746 0.000 2 1292 118 118 ASP C C 178.404 0.000 1 1293 118 118 ASP CA C 58.022 0.000 1 1294 118 118 ASP CB C 39.960 0.000 1 1295 118 118 ASP N N 121.262 0.000 1 1296 119 119 GLU H H 8.727 0.002 1 1297 119 119 GLU HA H 4.121 0.002 1 1298 119 119 GLU HB2 H 2.061 0.002 2 1299 119 119 GLU HB3 H 1.956 0.002 2 1300 119 119 GLU HG2 H 2.323 0.002 2 1301 119 119 GLU HG3 H 2.401 0.002 2 1302 119 119 GLU C C 179.062 0.000 1 1303 119 119 GLU CA C 60.033 0.034 1 1304 119 119 GLU CB C 29.058 0.000 1 1305 119 119 GLU CG C 36.463 1.000 1 1306 119 119 GLU N N 119.299 0.009 1 1307 120 120 GLU H H 7.735 0.002 1 1308 120 120 GLU HA H 4.032 0.002 1 1309 120 120 GLU HB2 H 1.941 0.002 2 1310 120 120 GLU HB3 H 2.353 0.002 2 1311 120 120 GLU HG2 H 2.275 0.002 2 1312 120 120 GLU HG3 H 2.490 0.002 2 1313 120 120 GLU C C 179.630 0.000 1 1314 120 120 GLU CA C 59.148 0.034 1 1315 120 120 GLU CB C 29.999 0.000 1 1316 120 120 GLU CG C 37.443 1.000 1 1317 120 120 GLU N N 120.669 0.009 1 1318 121 121 ILE H H 7.963 0.003 1 1319 121 121 ILE HA H 3.812 0.001 1 1320 121 121 ILE HB H 2.260 0.000 1 1321 121 121 ILE HG12 H 1.453 0.000 2 1322 121 121 ILE HG13 H 1.485 0.000 2 1323 121 121 ILE HG2 H 1.294 0.002 . 1324 121 121 ILE HD1 H 0.775 0.002 . 1325 121 121 ILE C C 177.139 0.000 1 1326 121 121 ILE CA C 63.370 0.000 1 1327 121 121 ILE CB C 36.213 0.000 1 1328 121 121 ILE CG1 C 27.813 0.000 1 1329 121 121 ILE CG2 C 17.813 0.016 1 1330 121 121 ILE CD1 C 11.168 0.005 1 1331 121 121 ILE N N 121.654 0.060 1 1332 122 122 ASP H H 8.051 0.000 1 1333 122 122 ASP HA H 4.329 0.000 1 1334 122 122 ASP HB2 H 2.647 0.000 2 1335 122 122 ASP HB3 H 2.782 0.000 2 1336 122 122 ASP C C 178.973 0.000 1 1337 122 122 ASP CA C 57.715 0.000 1 1338 122 122 ASP CB C 40.564 0.000 1 1339 122 122 ASP N N 119.207 0.000 1 1340 123 123 GLU H H 7.890 0.002 1 1341 123 123 GLU HA H 4.012 0.002 1 1342 123 123 GLU HB2 H 2.092 0.000 2 1343 123 123 GLU HB3 H 2.114 0.000 2 1344 123 123 GLU HG2 H 2.274 0.000 2 1345 123 123 GLU HG3 H 2.351 0.000 2 1346 123 123 GLU C C 177.907 0.000 1 1347 123 123 GLU CA C 59.319 0.034 1 1348 123 123 GLU CB C 29.646 0.000 1 1349 123 123 GLU CG C 35.983 0.000 1 1350 123 123 GLU N N 119.459 0.009 1 1351 124 124 MET H H 8.058 0.003 1 1352 124 124 MET HA H 4.116 0.000 1 1353 124 124 MET HB2 H 2.116 0.000 2 1354 124 124 MET HB3 H 2.348 0.000 2 1355 124 124 MET HG2 H 2.676 0.000 2 1356 124 124 MET HG3 H 2.770 0.000 2 1357 124 124 MET HE H 2.075 0.062 . 1358 124 124 MET C C 178.965 0.000 1 1359 124 124 MET CA C 59.325 0.000 1 1360 124 124 MET CB C 33.619 0.000 1 1361 124 124 MET CG C 32.133 0.000 1 1362 124 124 MET CE C 16.792 0.020 1 1363 124 124 MET N N 119.750 0.020 1 1364 125 125 ILE H H 7.999 0.003 1 1365 125 125 ILE HA H 3.561 0.001 1 1366 125 125 ILE HB H 2.035 0.000 1 1367 125 125 ILE HG12 H 1.130 0.000 2 1368 125 125 ILE HG13 H 1.693 0.000 2 1369 125 125 ILE HG2 H 0.711 0.002 . 1370 125 125 ILE HD1 H 0.782 0.002 . 1371 125 125 ILE C C 176.714 0.000 1 1372 125 125 ILE CA C 64.408 0.000 1 1373 125 125 ILE CB C 37.089 0.000 1 1374 125 125 ILE CG1 C 28.753 0.000 1 1375 125 125 ILE CG2 C 15.953 0.016 1 1376 125 125 ILE CD1 C 12.523 0.005 1 1377 125 125 ILE N N 118.026 0.060 1 1378 126 126 ARG H H 8.119 0.002 1 1379 126 126 ARG HA H 3.932 0.000 1 1380 126 126 ARG HB2 H 1.840 0.000 2 1381 126 126 ARG HB3 H 1.922 0.000 2 1382 126 126 ARG HG2 H 1.616 0.000 2 1383 126 126 ARG HG3 H 1.749 0.000 2 1384 126 126 ARG HD2 H 3.203 0.000 . 1385 126 126 ARG HD3 H 3.203 0.000 . 1386 126 126 ARG C C 179.383 0.000 1 1387 126 126 ARG CA C 59.726 0.000 1 1388 126 126 ARG CB C 30.203 0.000 1 1389 126 126 ARG CG C 27.763 0.000 1 1390 126 126 ARG CD C 43.313 0.000 1 1391 126 126 ARG N N 117.481 0.044 1 1392 127 127 GLU H H 7.895 0.002 1 1393 127 127 GLU HA H 3.914 0.002 1 1394 127 127 GLU HB2 H 2.148 0.000 . 1395 127 127 GLU HB3 H 2.148 0.000 . 1396 127 127 GLU HG2 H 2.386 0.000 2 1397 127 127 GLU HG3 H 2.524 0.000 2 1398 127 127 GLU C C 176.347 0.000 1 1399 127 127 GLU CA C 58.659 0.034 1 1400 127 127 GLU CB C 30.075 0.000 1 1401 127 127 GLU CG C 36.613 0.000 1 1402 127 127 GLU N N 115.875 0.009 1 1403 128 128 ALA H H 7.119 0.003 1 1404 128 128 ALA HA H 4.138 0.002 1 1405 128 128 ALA HB H 1.519 0.000 . 1406 128 128 ALA C C 175.559 0.000 1 1407 128 128 ALA CA C 51.727 0.018 1 1408 128 128 ALA CB C 20.772 0.000 1 1409 128 128 ALA N N 118.032 0.022 1 1410 129 129 ASP H H 7.463 0.000 1 1411 129 129 ASP HA H 4.551 0.000 1 1412 129 129 ASP HB2 H 2.433 0.000 2 1413 129 129 ASP HB3 H 2.698 0.000 2 1414 129 129 ASP C C 177.384 0.000 1 1415 129 129 ASP CA C 53.006 0.000 1 1416 129 129 ASP CB C 39.536 0.000 1 1417 129 129 ASP N N 115.354 0.000 1 1418 130 130 PHE H H 8.216 0.006 1 1419 130 130 PHE HA H 4.319 0.009 1 1420 130 130 PHE HB2 H 3.019 0.011 2 1421 130 130 PHE HB3 H 3.181 0.012 2 1422 130 130 PHE HD1 H 7.080 0.011 . 1423 130 130 PHE HD2 H 7.080 0.011 . 1424 130 130 PHE HE1 H 6.790 0.012 . 1425 130 130 PHE HE2 H 6.790 0.012 . 1426 130 130 PHE HZ H 7.130 0.700 1 1427 130 130 PHE C C 177.651 0.000 1 1428 130 130 PHE CA C 59.519 0.024 1 1429 130 130 PHE CB C 39.012 0.008 1 1430 130 130 PHE N N 126.661 0.027 1 1431 131 131 ASP H H 8.190 0.000 1 1432 131 131 ASP HA H 4.632 0.000 1 1433 131 131 ASP HB2 H 2.659 0.000 2 1434 131 131 ASP HB3 H 3.092 0.000 2 1435 131 131 ASP C C 178.191 0.000 1 1436 131 131 ASP CA C 53.383 0.000 1 1437 131 131 ASP CB C 39.866 0.000 1 1438 131 131 ASP N N 114.876 0.000 1 1439 132 132 GLY H H 7.512 0.002 1 1440 132 132 GLY HA2 H 3.784 0.010 . 1441 132 132 GLY HA3 H 3.896 0.011 2 1442 132 132 GLY C C 175.011 0.000 1 1443 132 132 GLY CA C 47.568 0.047 1 1444 132 132 GLY N N 108.556 0.008 1 1445 133 133 ASP H H 8.274 0.000 1 1446 133 133 ASP HA H 4.437 0.000 1 1447 133 133 ASP HB2 H 2.873 0.000 2 1448 133 133 ASP HB3 H 2.404 0.000 2 1449 133 133 ASP C C 177.224 0.000 1 1450 133 133 ASP CA C 53.673 0.000 1 1451 133 133 ASP CB C 40.111 0.000 1 1452 133 133 ASP N N 120.790 0.000 1 1453 134 134 GLY H H 10.538 0.002 1 1454 134 134 GLY HA2 H 3.339 0.010 . 1455 134 134 GLY HA3 H 3.976 0.011 2 1456 134 134 GLY C C 172.819 0.000 1 1457 134 134 GLY CA C 45.649 0.047 1 1458 134 134 GLY N N 113.716 0.008 1 1459 135 135 MET H H 7.944 0.003 1 1460 135 135 MET HA H 4.885 0.000 1 1461 135 135 MET HB2 H 1.804 0.000 2 1462 135 135 MET HB3 H 1.674 0.000 2 1463 135 135 MET HG2 H 2.138 0.000 . 1464 135 135 MET HG3 H 2.138 0.000 . 1465 135 135 MET HE H 1.756 0.062 . 1466 135 135 MET C C 174.808 0.000 1 1467 135 135 MET CA C 52.443 0.000 1 1468 135 135 MET CB C 37.322 0.000 1 1469 135 135 MET CG C 32.233 0.000 1 1470 135 135 MET CE C 18.108 0.020 1 1471 135 135 MET N N 115.780 0.020 1 1472 136 136 ILE H H 9.064 0.003 1 1473 136 136 ILE HA H 5.402 0.001 1 1474 136 136 ILE HB H 2.363 0.000 1 1475 136 136 ILE HG12 H 1.361 0.000 . 1476 136 136 ILE HG13 H 1.361 0.000 . 1477 136 136 ILE HG2 H 1.294 0.002 . 1478 136 136 ILE HD1 H 0.815 0.002 . 1479 136 136 ILE C C 176.088 0.000 1 1480 136 136 ILE CA C 58.325 0.000 1 1481 136 136 ILE CB C 38.050 0.000 1 1482 136 136 ILE CG1 C 26.753 0.000 1 1483 136 136 ILE CG2 C 17.813 0.016 1 1484 136 136 ILE CD1 C 11.311 0.005 1 1485 136 136 ILE N N 125.022 0.060 1 1486 137 137 ASN H H 9.396 0.003 1 1487 137 137 ASN HA H 5.215 0.007 1 1488 137 137 ASN HB2 H 3.342 0.002 . 1489 137 137 ASN HB3 H 3.342 0.002 . 1490 137 137 ASN HD21 H 6.710 0.003 2 1491 137 137 ASN HD22 H 7.240 0.003 2 1492 137 137 ASN C C 174.901 0.000 1 1493 137 137 ASN CA C 51.193 0.023 1 1494 137 137 ASN CB C 37.986 0.064 1 1495 137 137 ASN N N 129.158 0.018 1 1496 137 137 ASN ND2 N 107.900 0.003 1 1497 138 138 TYR H H 8.405 0.003 1 1498 138 138 TYR HA H 3.553 0.007 1 1499 138 138 TYR HB2 H 2.010 0.002 2 1500 138 138 TYR HB3 H 2.362 0.003 2 1501 138 138 TYR HD1 H 6.440 0.003 . 1502 138 138 TYR HD2 H 6.440 0.003 . 1503 138 138 TYR HE1 H 6.520 0.003 . 1504 138 138 TYR HE2 H 6.520 0.003 . 1505 138 138 TYR C C 175.736 0.000 1 1506 138 138 TYR CA C 62.965 0.023 1 1507 138 138 TYR CB C 37.852 0.064 1 1508 138 138 TYR N N 118.016 0.018 1 1509 139 139 GLU H H 8.018 0.002 1 1510 139 139 GLU HA H 3.668 0.002 1 1511 139 139 GLU HB2 H 1.998 0.000 2 1512 139 139 GLU HB3 H 2.129 0.000 2 1513 139 139 GLU HG2 H 2.308 0.000 2 1514 139 139 GLU HG3 H 2.393 0.000 2 1515 139 139 GLU C C 180.340 0.000 1 1516 139 139 GLU CA C 60.521 0.034 1 1517 139 139 GLU CB C 29.117 0.000 1 1518 139 139 GLU CG C 37.393 0.000 1 1519 139 139 GLU N N 118.049 0.009 1 1520 140 140 GLU H H 8.621 0.002 1 1521 140 140 GLU HA H 4.119 0.002 1 1522 140 140 GLU HB2 H 2.484 0.000 2 1523 140 140 GLU HB3 H 2.289 0.000 2 1524 140 140 GLU HG2 H 2.465 0.000 2 1525 140 140 GLU HG3 H 2.755 0.000 2 1526 140 140 GLU C C 178.168 0.000 1 1527 140 140 GLU CA C 58.762 0.034 1 1528 140 140 GLU CB C 29.757 0.000 1 1529 140 140 GLU CG C 37.233 0.000 1 1530 140 140 GLU N N 121.505 0.009 1 1531 141 141 PHE H H 8.942 0.006 1 1532 141 141 PHE HA H 4.069 0.009 1 1533 141 141 PHE HB2 H 3.259 0.011 2 1534 141 141 PHE HB3 H 3.586 0.012 2 1535 141 141 PHE HD1 H 6.670 0.011 . 1536 141 141 PHE HD2 H 6.670 0.011 . 1537 141 141 PHE HE1 H 6.930 0.012 . 1538 141 141 PHE HE2 H 6.930 0.012 . 1539 141 141 PHE HZ H 7.130 0.700 1 1540 141 141 PHE C C 176.082 0.000 1 1541 141 141 PHE CA C 61.339 0.024 1 1542 141 141 PHE CB C 39.540 0.008 1 1543 141 141 PHE N N 123.261 0.027 1 1544 142 142 VAL H H 8.385 0.003 1 1545 142 142 VAL HA H 3.231 0.005 1 1546 142 142 VAL HB H 1.877 0.006 1 1547 142 142 VAL HG1 H 0.772 0.004 . 1548 142 142 VAL HG2 H 0.598 0.006 . 1549 142 142 VAL C C 179.267 0.000 1 1550 142 142 VAL CA C 66.449 0.032 1 1551 142 142 VAL CB C 31.673 0.038 1 1552 142 142 VAL CG1 C 21.063 0.015 2 1553 142 142 VAL CG2 C 22.483 0.021 2 1554 142 142 VAL N N 119.100 0.011 1 1555 143 143 TRP H H 7.620 0.003 1 1556 143 143 TRP HA H 4.032 0.007 1 1557 143 143 TRP HB2 H 3.345 0.002 2 1558 143 143 TRP HB3 H 3.731 0.003 2 1559 143 143 TRP HD1 H 7.260 0.002 1 1560 143 143 TRP HE1 H 10.095 0.002 1 1561 143 143 TRP HE3 H 7.470 0.002 1 1562 143 143 TRP HZ2 H 7.450 0.002 1 1563 143 143 TRP HZ3 H 7.000 0.002 1 1564 143 143 TRP HH2 H 7.130 0.002 1 1565 143 143 TRP C C 178.383 0.000 1 1566 143 143 TRP CA C 62.073 0.023 1 1567 143 143 TRP CB C 28.732 0.064 1 1568 143 143 TRP N N 120.826 0.018 1 1569 143 143 TRP NE1 N 129.219 0.018 1 1570 144 144 MET H H 8.764 0.003 1 1571 144 144 MET HA H 3.719 0.000 1 1572 144 144 MET HB2 H 2.308 0.000 2 1573 144 144 MET HB3 H 2.247 0.000 2 1574 144 144 MET HG2 H 2.247 0.000 2 1575 144 144 MET HG3 H 2.626 0.000 2 1576 144 144 MET HE H 1.903 0.062 . 1577 144 144 MET C C 178.963 0.000 1 1578 144 144 MET CA C 59.704 0.000 1 1579 144 144 MET CB C 34.155 0.000 1 1580 144 144 MET CG C 31.473 0.000 1 1581 144 144 MET CE C 16.909 0.020 1 1582 144 144 MET N N 120.823 0.020 1 1583 145 145 ILE H H 8.273 0.003 1 1584 145 145 ILE HA H 3.841 0.001 1 1585 145 145 ILE HB H 1.541 0.000 1 1586 145 145 ILE HG12 H 0.860 0.000 2 1587 145 145 ILE HG13 H 0.793 0.000 2 1588 145 145 ILE HG2 H 0.480 0.002 . 1589 145 145 ILE HD1 H 0.459 0.002 . 1590 145 145 ILE C C 177.385 0.000 1 1591 145 145 ILE CA C 61.783 0.000 1 1592 145 145 ILE CB C 37.173 0.000 1 1593 145 145 ILE CG1 C 26.723 0.000 1 1594 145 145 ILE CG2 C 17.993 0.016 1 1595 145 145 ILE CD1 C 12.233 0.005 1 1596 145 145 ILE N N 115.322 0.060 1 1597 146 146 SER H H 7.538 0.003 1 1598 146 146 SER HA H 4.302 0.004 1 1599 146 146 SER HB2 H 3.809 0.010 . 1600 146 146 SER HB3 H 3.809 0.010 . 1601 146 146 SER C C 174.146 0.000 1 1602 146 146 SER CA C 59.675 0.030 1 1603 146 146 SER CB C 63.592 0.007 1 1604 146 146 SER N N 116.156 0.034 1 1605 147 147 GLN H H 7.251 0.002 1 1606 147 147 GLN HA H 3.947 0.002 1 1607 147 147 GLN HB2 H 1.611 0.000 2 1608 147 147 GLN HB3 H 1.901 0.000 2 1609 147 147 GLN HG2 H 1.524 0.000 2 1610 147 147 GLN HG3 H 1.765 0.000 2 1611 147 147 GLN HE21 H 6.260 0.003 2 1612 147 147 GLN HE22 H 6.650 0.003 2 1613 147 147 GLN C C 174.983 0.000 1 1614 147 147 GLN CA C 55.314 0.038 1 1615 147 147 GLN CB C 28.622 0.000 1 1616 147 147 GLN CG C 32.593 0.000 1 1617 147 147 GLN N N 119.654 0.018 1 1618 147 147 GLN NE2 N 113.800 0.003 1 1619 148 148 LYS H H 7.491 0.002 1 1620 148 148 LYS HA H 4.007 0.007 1 1621 148 148 LYS HB2 H 1.599 0.000 2 1622 148 148 LYS HB3 H 1.738 0.000 2 1623 148 148 LYS HG2 H 1.308 0.000 . 1624 148 148 LYS HG3 H 1.308 0.000 . 1625 148 148 LYS HD2 H 1.554 0.000 . 1626 148 148 LYS HD3 H 1.554 0.000 . 1627 148 148 LYS HE2 H 2.849 0.000 . 1628 148 148 LYS HE3 H 2.849 0.000 . 1629 148 148 LYS C C 181.244 0.000 1 1630 148 148 LYS CA C 57.666 0.045 1 1631 148 148 LYS CB C 33.278 0.045 1 1632 148 148 LYS CG C 24.583 0.000 1 1633 148 148 LYS CD C 28.913 0.000 1 1634 148 148 LYS CE C 42.043 0.000 1 1635 148 148 LYS N N 126.541 0.039 1 stop_ save_