data_4215 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Staphylokinase (NMR, Sakstar Variant) ; _BMRB_accession_number 4215 _BMRB_flat_file_name bmr4215.str _Entry_type original _Submission_date 1998-06-08 _Accession_date 1998-06-08 _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 Ohlenschlager Oliver . . 2 Ramachandran Ramadurai . . 3 Guhrs Karl H. . 4 Schlott Bernhard . . 5 Brown Larry R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 849 "13C chemical shifts" 629 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-10-02 original author . stop_ _Original_release_date 2000-10-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Solution Structure of the Plasminogen-Activator Protein Staphylokinase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 98367505 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ohlenschlager Oliver . . 2 Ramachandran Ramadurai . . 3 Guhrs Karl H. . 4 Schlott Bernhard . . 5 Brown Larry R. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 37 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10635 _Page_last 10642 _Year 1998 _Details . loop_ _Keyword 'Plasminogen-activator, Staphylokinase' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full 'Bartels et al. (1995) J. Biomol. Nmr 6, 1-10.' _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_SAKSTAR _Saveframe_category molecular_system _Mol_system_name Staphylokinase _Abbreviation_common SAKSTAR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Staphylokinase $Staphylokinase stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'NON-ENZYMATIC PLASMINOGEN-ACTIVATOR' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Staphylokinase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Staphylokinase _Name_variant 'SAKSTAR VARIANT' _Abbreviation_common SAK _Molecular_mass 15500 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; SSSFDKGKYKKGDDASYFEP TGPYLMVNVTGVDSKGNELL SPHYVEFPIKPGTTLTKEKI EYYVEWALDATAYKEFRVVE LDPSAKIEVTYYDKNKKKEE TKSFPITEKGFVVPDLSEHI KNPGFNLITKVVIEKK ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 SER 4 PHE 5 ASP 6 LYS 7 GLY 8 LYS 9 TYR 10 LYS 11 LYS 12 GLY 13 ASP 14 ASP 15 ALA 16 SER 17 TYR 18 PHE 19 GLU 20 PRO 21 THR 22 GLY 23 PRO 24 TYR 25 LEU 26 MET 27 VAL 28 ASN 29 VAL 30 THR 31 GLY 32 VAL 33 ASP 34 SER 35 LYS 36 GLY 37 ASN 38 GLU 39 LEU 40 LEU 41 SER 42 PRO 43 HIS 44 TYR 45 VAL 46 GLU 47 PHE 48 PRO 49 ILE 50 LYS 51 PRO 52 GLY 53 THR 54 THR 55 LEU 56 THR 57 LYS 58 GLU 59 LYS 60 ILE 61 GLU 62 TYR 63 TYR 64 VAL 65 GLU 66 TRP 67 ALA 68 LEU 69 ASP 70 ALA 71 THR 72 ALA 73 TYR 74 LYS 75 GLU 76 PHE 77 ARG 78 VAL 79 VAL 80 GLU 81 LEU 82 ASP 83 PRO 84 SER 85 ALA 86 LYS 87 ILE 88 GLU 89 VAL 90 THR 91 TYR 92 TYR 93 ASP 94 LYS 95 ASN 96 LYS 97 LYS 98 LYS 99 GLU 100 GLU 101 THR 102 LYS 103 SER 104 PHE 105 PRO 106 ILE 107 THR 108 GLU 109 LYS 110 GLY 111 PHE 112 VAL 113 VAL 114 PRO 115 ASP 116 LEU 117 SER 118 GLU 119 HIS 120 ILE 121 LYS 122 ASN 123 PRO 124 GLY 125 PHE 126 ASN 127 LEU 128 ILE 129 THR 130 LYS 131 VAL 132 VAL 133 ILE 134 GLU 135 LYS 136 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1BUI "Structure Of The Ternary Microplasmin-Staphylokinase-Microplasmin Complex: A Proteinase-Cofactor-Substrate Complex In Action" 92.65 128 100.00 100.00 4.46e-83 PDB 1C76 "Staphylokinase (Sak) Monomer" 100.00 136 99.26 99.26 1.73e-89 PDB 1C77 "Staphylokinase (Sak) Dimer" 100.00 136 99.26 99.26 1.73e-89 PDB 1C78 "Staphylokinase (Sak) Dimer" 100.00 136 99.26 99.26 1.73e-89 PDB 1C79 "Staphylokinase (Sak) Dimer" 100.00 136 99.26 99.26 1.73e-89 PDB 1SSN "Staphylokinase, Sakstar Variant, Nmr, 20 Structures" 99.26 136 100.00 100.00 1.59e-89 PDB 2SAK "Staphylokinase (sakstar Variant)" 88.97 121 100.00 100.00 5.39e-79 DBJ BAA95011 "staphylokinase [Staphylococcus aureus]" 100.00 163 98.53 99.26 5.94e-90 DBJ BAB43032 "STAPHYLOKINASE PRECURSOR [Staphylococcus aureus subsp. aureus N315]" 100.00 163 100.00 100.00 5.68e-91 DBJ BAB58106 "staphylokinase precursor [Staphylococcus aureus subsp. aureus Mu50]" 100.00 163 99.26 99.26 3.26e-90 DBJ BAB95750 "STAPHYLOKINASE PRECURSOR [Staphylococcus aureus subsp. aureus MW2]" 100.00 163 98.53 98.53 4.28e-89 DBJ BAF68152 "staphylokinase precursor [Staphylococcus aureus subsp. aureus str. Newman]" 100.00 163 98.53 99.26 5.94e-90 EMBL CAA24957 "staphylokinase [Staphylococcus aureus]" 100.00 163 99.26 99.26 3.26e-90 EMBL CAA29822 "sak42D staphylokinase [Staphylococcus aureus]" 100.00 163 97.79 97.79 5.75e-88 EMBL CAG41024 "staphylokinase precursor [Staphylococcus aureus subsp. aureus MRSA252]" 100.00 163 98.53 99.26 5.94e-90 EMBL CAG43674 "staphylokinase precursor [Staphylococcus aureus subsp. aureus MSSA476]" 100.00 163 99.26 99.26 3.26e-90 EMBL CBI49812 "staphylokinase precursor [Staphylococcus aureus subsp. aureus TW20]" 100.00 163 98.53 98.53 4.28e-89 GB AAA98206 "staphylokinase [Staphylococcus phage 42D.m]" 100.00 163 97.79 97.79 5.75e-88 GB AAB84174 "staphylokinase [Staphylococcus aureus]" 100.00 136 97.79 98.53 1.34e-87 GB AAK11636 "staphylokinase SakXH [Staphylococcus aureus]" 100.00 163 98.53 98.53 4.28e-89 GB AAL82378 "staphylokinase [Staphylococcus phage 13]" 100.00 163 98.53 99.26 5.15e-90 GB AAP86605 "levansucrase-staphylokinase-K coil precursor [synthetic construct]" 100.00 221 97.79 97.79 2.35e-89 PIR PRSAK "staphylokinase - phage S phi-C" 100.00 163 99.26 99.26 3.26e-90 REF NP_803403 "staphylokinase [Staphylococcus phage 13]" 100.00 163 98.53 99.26 5.15e-90 REF NP_835575 "STAPHYLOKINASE PRECURSOR [Staphylococcus phage phiN315]" 100.00 163 100.00 100.00 5.68e-91 REF WP_000919348 "kinase [Staphylococcus aureus]" 100.00 163 97.79 98.53 9.19e-89 REF WP_000919349 "staphylokinase [Staphylococcus aureus]" 100.00 163 97.79 99.26 9.92e-90 REF WP_000919350 "staphylokinase [Staphylococcus aureus]" 100.00 163 98.53 99.26 5.94e-90 SP P15240 "RecName: Full=Staphylokinase; AltName: Full=Sak42D; Flags: Precursor" 100.00 163 97.79 97.79 5.75e-88 SP P68801 "RecName: Full=Staphylokinase; Flags: Precursor" 100.00 163 99.26 99.26 3.26e-90 SP P68802 "RecName: Full=Staphylokinase; AltName: Full=Neutral proteinase; AltName: Full=Protease III; AltName: Full=SakSTAR; Flags: Precu" 100.00 163 99.26 99.26 3.26e-90 SP Q6G7Z1 "RecName: Full=Staphylokinase; Flags: Precursor" 100.00 163 99.26 99.26 3.26e-90 SP Q6GFB2 "RecName: Full=Staphylokinase; Flags: Precursor" 100.00 163 98.53 99.26 5.94e-90 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Staphylokinase 'S. aureus' 1280 Eubacteria . Staphylococcus aureus 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 $Staphylokinase 'recombinant technology' 'E. coli' Escherichia coli TG1 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Staphylokinase 1.10 mM '[U-100% 15N]' stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Staphylokinase 1.28 mM '[U-100% 13C;U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.9 loop_ _Task 'Visualization & bookkeeping, assignment' stop_ _Details . _Citation_label $citation_1 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-1H_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H HSQC' _Sample_label . save_ save_13C-1H_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H HSQC' _Sample_label . save_ save_1H-15N-1H_TOCSY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N-1H TOCSY-HSQC' _Sample_label . save_ save_1H-15N-1H_NOESY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N-1H NOESY-HSQC' _Sample_label . save_ save_1H-15N-1H_HBHA(CBCACO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N-1H HBHA(CBCACO)NH' _Sample_label . save_ save_15N-1H-1H_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H-1H HNHA' _Sample_label . save_ save_15N-15N-1H_HSQC-NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-15N-1H HSQC-NOESY-HSQC' _Sample_label . save_ save_1H-13C-1H_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-1H HCCH-TOCSY' _Sample_label . save_ save_1H-13C-1H_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-1H NOESY-HSQC' _Sample_label . save_ save_15N-13C-1H_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-13C-1H HNCO' _Sample_label . save_ save_15N-13C-1H_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-13C-1H HNCACB' _Sample_label . save_ save_13C-15N-1H_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-15N-1H CBCA(CO)NH' _Sample_label . save_ save_13C-15N-1H_CC(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-15N-1H CC(CO)NH' _Sample_label . save_ save_13C-1H-15N-1H_HMQC-NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H-15N-1H HMQC-NOESY-HSQC' _Sample_label . save_ save_13C-1H-13C-1H_HMQC-NOESY-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H-13C-1H HMQC-NOESY-HSQC' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 0.2 n/a temperature 300 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 DSS H 1 'methyl protons' ppm 0.00 external . . external . 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_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Staphylokinase _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 . 1 SER CA C 56.500 . 1 2 . 1 SER HA H 4.580 . 1 3 . 1 SER CB C 62.300 . 1 4 . 1 SER HB2 H 3.880 . 1 5 . 1 SER HB3 H 3.850 . 1 6 . 1 SER C C 172.800 . 1 7 . 2 SER N N 124.660 . 1 8 . 2 SER H H 8.090 . 1 9 . 2 SER CA C 55.800 . 1 10 . 2 SER HA H 4.110 . 1 11 . 2 SER CB C 62.000 . 1 12 . 2 SER HB2 H 3.960 . 1 13 . 2 SER HB3 H 3.960 . 1 14 . 2 SER C C 177.600 . 1 15 . 3 SER N N 122.090 . 1 16 . 3 SER H H 8.570 . 1 17 . 3 SER CA C 56.800 . 1 18 . 3 SER HA H 4.370 . 1 19 . 3 SER CB C 61.900 . 1 20 . 3 SER HB2 H 3.770 . 1 21 . 3 SER HB3 H 3.770 . 1 22 . 3 SER C C 172.800 . 1 23 . 4 PHE N N 123.278 . 1 24 . 4 PHE H H 8.133 . 1 25 . 4 PHE CA C 56.100 . 1 26 . 4 PHE HA H 4.580 . 1 27 . 4 PHE CB C 37.800 . 1 28 . 4 PHE HB2 H 3.090 . 1 29 . 4 PHE HB3 H 2.970 . 1 30 . 4 PHE CD1 C 130.300 . 1 31 . 4 PHE HD1 H 7.100 . 1 32 . 4 PHE CE1 C 129.600 . 1 33 . 4 PHE HE1 H 7.200 . 1 34 . 4 PHE CZ C 129.700 . 1 35 . 4 PHE HZ H 7.310 . 1 36 . 4 PHE CE2 C 129.600 . 1 37 . 4 PHE HE2 H 7.200 . 1 38 . 4 PHE CD2 C 130.300 . 1 39 . 4 PHE HD2 H 7.100 . 1 40 . 4 PHE C C 173.800 . 1 41 . 5 ASP N N 123.653 . 1 42 . 5 ASP H H 8.092 . 1 43 . 5 ASP CA C 52.600 . 1 44 . 5 ASP HA H 4.560 . 1 45 . 5 ASP CB C 39.600 . 1 46 . 5 ASP HB2 H 2.710 . 1 47 . 5 ASP HB3 H 2.600 . 1 48 . 5 ASP C C 174.700 . 1 49 . 6 LYS N N 123.669 . 1 50 . 6 LYS H H 8.153 . 1 51 . 6 LYS CA C 55.200 . 1 52 . 6 LYS HA H 4.170 . 1 53 . 6 LYS CB C 30.900 . 1 54 . 6 LYS HB2 H 1.860 . 1 55 . 6 LYS HB3 H 1.740 . 1 56 . 6 LYS CG C 22.900 . 1 57 . 6 LYS HG2 H 1.420 . 1 58 . 6 LYS HG3 H 1.390 . 1 59 . 6 LYS CD C 27.400 . 1 60 . 6 LYS HD2 H 1.640 . 1 61 . 6 LYS HD3 H 1.640 . 1 62 . 6 LYS CE C 40.300 . 1 63 . 6 LYS HE2 H 2.950 . 1 64 . 6 LYS HE3 H 2.950 . 1 65 . 6 LYS C C 175.800 . 1 66 . 7 GLY N N 110.309 . 1 67 . 7 GLY H H 8.337 . 1 68 . 7 GLY CA C 43.600 . 1 69 . 7 GLY HA2 H 3.900 . 1 70 . 7 GLY HA3 H 3.900 . 1 71 . 7 GLY C C 172.700 . 1 72 . 8 LYS N N 121.897 . 1 73 . 8 LYS H H 7.840 . 1 74 . 8 LYS CA C 54.800 . 1 75 . 8 LYS HA H 4.220 . 1 76 . 8 LYS CB C 31.400 . 1 77 . 8 LYS HB2 H 1.620 . 1 78 . 8 LYS HB3 H 1.620 . 1 79 . 8 LYS CG C 22.900 . 1 80 . 8 LYS HG2 H 1.240 . 1 81 . 8 LYS HG3 H 1.160 . 1 82 . 8 LYS CD C 27.200 . 1 83 . 8 LYS HD2 H 1.570 . 1 84 . 8 LYS HD3 H 1.570 . 1 85 . 8 LYS CE C 40.300 . 1 86 . 8 LYS HE2 H 2.890 . 1 87 . 8 LYS HE3 H 2.890 . 1 88 . 8 LYS C C 174.600 . 1 89 . 9 TYR N N 121.768 . 1 90 . 9 TYR H H 7.973 . 1 91 . 9 TYR CA C 55.900 . 1 92 . 9 TYR HA H 4.530 . 1 93 . 9 TYR CB C 37.000 . 1 94 . 9 TYR HB2 H 2.990 . 1 95 . 9 TYR HB3 H 2.840 . 1 96 . 9 TYR CD1 C 128.500 . 1 97 . 9 TYR HD1 H 7.000 . 1 98 . 9 TYR CE1 C 116.400 . 1 99 . 9 TYR HE1 H 6.580 . 1 100 . 9 TYR CE2 C 116.400 . 1 101 . 9 TYR HE2 H 6.580 . 1 102 . 9 TYR CD2 C 128.500 . 1 103 . 9 TYR HD2 H 7.000 . 1 104 . 9 TYR C C 173.800 . 1 105 . 10 LYS N N 125.076 . 1 106 . 10 LYS H H 8.035 . 1 107 . 10 LYS CA C 54.000 . 1 108 . 10 LYS HA H 4.260 . 1 109 . 10 LYS CB C 31.600 . 1 110 . 10 LYS HB2 H 1.620 . 1 111 . 10 LYS HB3 H 1.620 . 1 112 . 10 LYS CG C 22.900 . 1 113 . 10 LYS HG2 H 1.300 . 1 114 . 10 LYS HG3 H 1.300 . 1 115 . 10 LYS CD C 27.200 . 1 116 . 10 LYS HD2 H 1.740 . 1 117 . 10 LYS HD3 H 1.740 . 1 118 . 10 LYS CE C 40.300 . 1 119 . 10 LYS HE2 H 2.910 . 1 120 . 10 LYS HE3 H 2.910 . 1 121 . 10 LYS C C 174.200 . 1 122 . 11 LYS N N 124.922 . 1 123 . 11 LYS H H 8.245 . 1 124 . 11 LYS CA C 54.500 . 1 125 . 11 LYS HA H 4.230 . 1 126 . 11 LYS CB C 31.600 . 1 127 . 11 LYS HB2 H 1.750 . 1 128 . 11 LYS HB3 H 1.650 . 1 129 . 11 LYS CG C 22.800 . 1 130 . 11 LYS HG2 H 1.390 . 1 131 . 11 LYS HG3 H 1.390 . 1 132 . 11 LYS CD C 27.200 . 1 133 . 11 LYS HD2 H 1.640 . 1 134 . 11 LYS HD3 H 1.640 . 1 135 . 11 LYS CE C 40.000 . 1 136 . 11 LYS HE2 H 2.940 . 1 137 . 11 LYS HE3 H 2.940 . 1 138 . 11 LYS C C 175.500 . 1 139 . 12 GLY N N 112.300 . 1 140 . 12 GLY H H 8.360 . 1 141 . 12 GLY CA C 43.700 . 1 142 . 12 GLY HA2 H 3.920 . 1 143 . 12 GLY HA3 H 3.920 . 1 144 . 12 GLY C C 172.400 . 1 145 . 13 ASP N N 122.057 . 1 146 . 13 ASP H H 8.224 . 1 147 . 13 ASP CA C 52.600 . 1 148 . 13 ASP HA H 4.610 . 1 149 . 13 ASP CB C 39.600 . 1 150 . 13 ASP HB2 H 2.670 . 1 151 . 13 ASP HB3 H 2.600 . 1 152 . 13 ASP C C 174.600 . 1 153 . 14 ASP N N 121.839 . 1 154 . 14 ASP H H 8.222 . 1 155 . 14 ASP CA C 52.700 . 1 156 . 14 ASP HA H 4.560 . 1 157 . 14 ASP CB C 37.700 . 1 158 . 14 ASP HB2 H 2.720 . 1 159 . 14 ASP HB3 H 2.720 . 1 160 . 14 ASP C C 174.600 . 1 161 . 15 ALA N N 125.917 . 1 162 . 15 ALA H H 8.211 . 1 163 . 15 ALA CA C 51.100 . 1 164 . 15 ALA HA H 4.260 . 1 165 . 15 ALA HB H 1.360 . 1 166 . 15 ALA CB C 17.400 . 1 167 . 15 ALA C C 176.300 . 1 168 . 16 SER N N 115.961 . 1 169 . 16 SER H H 8.186 . 1 170 . 16 SER CA C 56.600 . 1 171 . 16 SER HA H 4.360 . 1 172 . 16 SER CB C 62.000 . 1 173 . 16 SER HB2 H 3.780 . 1 174 . 16 SER HB3 H 3.780 . 1 175 . 16 SER C C 172.400 . 1 176 . 17 TYR N N 123.669 . 1 177 . 17 TYR H H 7.862 . 1 178 . 17 TYR CA C 56.300 . 1 179 . 17 TYR HA H 4.430 . 1 180 . 17 TYR CB C 37.000 . 1 181 . 17 TYR HB2 H 2.870 . 1 182 . 17 TYR HB3 H 2.870 . 1 183 . 17 TYR CD1 C 131.500 . 1 184 . 17 TYR HD1 H 6.930 . 1 185 . 17 TYR CE1 C 116.500 . 1 186 . 17 TYR HE1 H 6.700 . 1 187 . 17 TYR CE2 C 116.500 . 1 188 . 17 TYR HE2 H 6.700 . 1 189 . 17 TYR CD2 C 131.500 . 1 190 . 17 TYR HD2 H 6.930 . 1 191 . 17 TYR C C 173.300 . 1 192 . 18 PHE N N 124.617 . 1 193 . 18 PHE H H 7.822 . 1 194 . 18 PHE CA C 55.300 . 1 195 . 18 PHE HA H 4.510 . 1 196 . 18 PHE CB C 38.400 . 1 197 . 18 PHE HB2 H 2.980 . 1 198 . 18 PHE HB3 H 2.850 . 1 199 . 18 PHE CD1 C 130.300 . 1 200 . 18 PHE HD1 H 7.130 . 1 201 . 18 PHE CE1 C 128.400 . 1 202 . 18 PHE HE1 H 7.230 . 1 203 . 18 PHE CZ C 130.100 . 1 204 . 18 PHE HZ H 6.900 . 1 205 . 18 PHE CE2 C 128.400 . 1 206 . 18 PHE HE2 H 7.230 . 1 207 . 18 PHE CD2 C 130.300 . 1 208 . 18 PHE HD2 H 7.130 . 1 209 . 18 PHE C C 172.700 . 1 210 . 19 GLU N N 125.873 . 1 211 . 19 GLU H H 8.029 . 1 212 . 19 GLU CA C 52.200 . 1 213 . 19 GLU HA H 4.400 . 1 214 . 19 GLU CB C 28.300 . 1 215 . 19 GLU HB2 H 1.900 . 1 216 . 19 GLU HB3 H 1.830 . 1 217 . 19 GLU CG C 34.200 . 1 218 . 19 GLU HG2 H 2.210 . 1 219 . 19 GLU HG3 H 2.210 . 1 220 . 20 PRO CD C 48.900 . 1 221 . 20 PRO CA C 61.500 . 1 222 . 20 PRO HA H 4.360 . 1 223 . 20 PRO CB C 30.700 . 1 224 . 20 PRO HB2 H 2.130 . 1 225 . 20 PRO HB3 H 1.850 . 1 226 . 20 PRO CG C 25.600 . 1 227 . 20 PRO HG2 H 1.600 . 1 228 . 20 PRO HG3 H 1.440 . 1 229 . 20 PRO HD2 H 3.580 . 1 230 . 20 PRO HD3 H 3.290 . 1 231 . 20 PRO C C 175.600 . 1 232 . 21 THR N N 114.355 . 1 233 . 21 THR H H 8.302 . 1 234 . 21 THR CA C 60.000 . 1 235 . 21 THR HA H 4.390 . 1 236 . 21 THR CB C 68.300 . 1 237 . 21 THR HB H 4.230 . 1 238 . 21 THR HG2 H 1.210 . 1 239 . 21 THR CG2 C 20.200 . 1 240 . 21 THR C C 172.900 . 1 241 . 22 GLY N N 113.113 . 1 242 . 22 GLY H H 7.813 . 1 243 . 22 GLY CA C 43.100 . 1 244 . 22 GLY HA2 H 4.600 . 1 245 . 22 GLY HA3 H 4.220 . 1 246 . 23 PRO CD C 47.900 . 1 247 . 23 PRO CA C 60.900 . 1 248 . 23 PRO HA H 5.040 . 1 249 . 23 PRO CB C 30.500 . 1 250 . 23 PRO HB2 H 2.230 . 1 251 . 23 PRO HB3 H 2.230 . 1 252 . 23 PRO CG C 25.800 . 1 253 . 23 PRO HG2 H 2.300 . 1 254 . 23 PRO HG3 H 2.060 . 1 255 . 23 PRO HD2 H 3.920 . 1 256 . 23 PRO HD3 H 3.884 . 1 257 . 23 PRO C C 174.500 . 1 258 . 24 TYR N N 119.821 . 1 259 . 24 TYR H H 8.633 . 1 260 . 24 TYR CA C 53.900 . 1 261 . 24 TYR HA H 5.403 . 1 262 . 24 TYR CB C 38.700 . 1 263 . 24 TYR HB2 H 2.955 . 1 264 . 24 TYR HB3 H 2.910 . 1 265 . 24 TYR CD1 C 130.300 . 1 266 . 24 TYR HD1 H 7.040 . 1 267 . 24 TYR HE1 H 6.960 . 1 268 . 24 TYR HE2 H 6.960 . 1 269 . 24 TYR CD2 C 130.300 . 1 270 . 24 TYR HD2 H 7.040 . 1 271 . 24 TYR C C 170.100 . 1 272 . 25 LEU N N 124.917 . 1 273 . 25 LEU H H 9.618 . 1 274 . 25 LEU CA C 51.100 . 1 275 . 25 LEU HA H 5.322 . 1 276 . 25 LEU CB C 43.600 . 1 277 . 25 LEU HB2 H 1.740 . 1 278 . 25 LEU HB3 H 1.090 . 1 279 . 25 LEU CG C 25.800 . 1 280 . 25 LEU HG H 1.400 . 1 281 . 25 LEU HD1 H 0.810 . 1 282 . 25 LEU HD2 H 0.380 . 1 283 . 25 LEU CD1 C 22.000 . 1 284 . 25 LEU CD2 C 25.200 . 1 285 . 25 LEU C C 173.500 . 1 286 . 26 MET N N 131.405 . 1 287 . 26 MET H H 9.416 . 1 288 . 26 MET CA C 52.900 . 1 289 . 26 MET HA H 5.090 . 1 290 . 26 MET CB C 31.400 . 1 291 . 26 MET HB2 H 2.670 . 1 292 . 26 MET HB3 H 2.530 . 1 293 . 26 MET CG C 31.500 . 1 294 . 26 MET HG2 H 2.050 . 1 295 . 26 MET HG3 H 2.050 . 1 296 . 26 MET HE H 1.890 . 1 297 . 26 MET CE C 15.400 . 1 298 . 26 MET C C 172.600 . 1 299 . 27 VAL N N 127.720 . 1 300 . 27 VAL H H 9.074 . 1 301 . 27 VAL CA C 60.600 . 1 302 . 27 VAL HA H 4.588 . 1 303 . 27 VAL CB C 31.600 . 1 304 . 27 VAL HB H 2.310 . 1 305 . 27 VAL HG1 H 1.030 . 1 306 . 27 VAL HG2 H 1.070 . 1 307 . 27 VAL CG1 C 25.400 . 1 308 . 27 VAL CG2 C 20.900 . 1 309 . 27 VAL C C 171.100 . 1 310 . 28 ASN N N 130.302 . 1 311 . 28 ASN H H 9.000 . 1 312 . 28 ASN CA C 49.900 . 1 313 . 28 ASN HA H 5.370 . 1 314 . 28 ASN CB C 39.100 . 1 315 . 28 ASN HB2 H 2.990 . 1 316 . 28 ASN HB3 H 2.440 . 1 317 . 28 ASN ND2 N 110.760 . 1 318 . 28 ASN HD21 H 6.840 . 1 319 . 28 ASN HD22 H 6.540 . 1 320 . 28 ASN C C 173.200 . 1 321 . 29 VAL N N 118.829 . 1 322 . 29 VAL H H 8.850 . 1 323 . 29 VAL CA C 56.700 . 1 324 . 29 VAL HA H 5.400 . 1 325 . 29 VAL CB C 33.100 . 1 326 . 29 VAL HB H 1.990 . 1 327 . 29 VAL HG1 H 0.830 . 1 328 . 29 VAL HG2 H 0.790 . 1 329 . 29 VAL CG1 C 19.800 . 1 330 . 29 VAL CG2 C 17.300 . 1 331 . 29 VAL C C 173.500 . 1 332 . 30 THR N N 121.210 . 1 333 . 30 THR H H 7.970 . 1 334 . 30 THR CA C 60.200 . 1 335 . 30 THR HA H 4.440 . 1 336 . 30 THR CB C 69.100 . 1 337 . 30 THR HB H 3.890 . 1 338 . 30 THR HG2 H 1.180 . 1 339 . 30 THR CG2 C 19.000 . 1 340 . 30 THR C C 172.400 . 1 341 . 31 GLY N N 116.290 . 1 342 . 31 GLY H H 9.130 . 1 343 . 31 GLY CA C 43.500 . 1 344 . 31 GLY HA2 H 5.090 . 1 345 . 31 GLY HA3 H 3.140 . 1 346 . 31 GLY C C 170.900 . 1 347 . 32 VAL N N 123.830 . 1 348 . 32 VAL H H 9.260 . 1 349 . 32 VAL CA C 56.200 . 1 350 . 32 VAL HA H 5.390 . 1 351 . 32 VAL CB C 34.000 . 1 352 . 32 VAL HB H 1.970 . 1 353 . 32 VAL HG1 H 0.750 . 1 354 . 32 VAL HG2 H 0.850 . 1 355 . 32 VAL CG1 C 19.900 . 1 356 . 32 VAL CG2 C 16.700 . 1 357 . 32 VAL C C 172.600 . 1 358 . 33 ASP N N 119.580 . 1 359 . 33 ASP H H 8.405 . 1 360 . 33 ASP CA C 50.200 . 1 361 . 33 ASP HA H 5.300 . 1 362 . 33 ASP CB C 40.200 . 1 363 . 33 ASP HB2 H 3.520 . 1 364 . 33 ASP HB3 H 2.790 . 1 365 . 33 ASP C C 177.700 . 1 366 . 34 SER N N 114.336 . 1 367 . 34 SER H H 8.450 . 1 368 . 34 SER CA C 59.100 . 1 369 . 34 SER HA H 4.100 . 1 370 . 34 SER CB C 61.400 . 1 371 . 34 SER HB2 H 3.920 . 1 372 . 34 SER HB3 H 3.920 . 1 373 . 34 SER C C 172.700 . 1 374 . 35 LYS N N 122.390 . 1 375 . 35 LYS H H 7.977 . 1 376 . 35 LYS CA C 53.400 . 1 377 . 35 LYS HA H 4.500 . 1 378 . 35 LYS CB C 31.000 . 1 379 . 35 LYS HB2 H 2.040 . 1 380 . 35 LYS HB3 H 1.790 . 1 381 . 35 LYS CG C 23.100 . 1 382 . 35 LYS HG2 H 1.400 . 1 383 . 35 LYS HG3 H 1.400 . 1 384 . 35 LYS CD C 26.600 . 1 385 . 35 LYS HD2 H 1.640 . 1 386 . 35 LYS HD3 H 1.640 . 1 387 . 35 LYS CE C 40.300 . 1 388 . 35 LYS HE2 H 2.950 . 1 389 . 35 LYS HE3 H 2.950 . 1 390 . 35 LYS C C 175.300 . 1 391 . 36 GLY N N 109.944 . 1 392 . 36 GLY H H 8.050 . 1 393 . 36 GLY CA C 43.300 . 1 394 . 36 GLY HA2 H 4.272 . 1 395 . 36 GLY HA3 H 3.450 . 1 396 . 36 GLY C C 173.000 . 1 397 . 37 ASN N N 122.590 . 1 398 . 37 ASN H H 8.770 . 1 399 . 37 ASN CA C 51.500 . 1 400 . 37 ASN HA H 4.580 . 1 401 . 37 ASN CB C 36.800 . 1 402 . 37 ASN HB2 H 2.820 . 1 403 . 37 ASN HB3 H 2.560 . 1 404 . 37 ASN ND2 N 120.780 . 1 405 . 37 ASN HD21 H 8.780 . 1 406 . 37 ASN HD22 H 7.117 . 1 407 . 37 ASN C C 173.500 . 1 408 . 38 GLU N N 124.694 . 1 409 . 38 GLU H H 8.876 . 1 410 . 38 GLU CA C 56.600 . 1 411 . 38 GLU HA H 4.130 . 1 412 . 38 GLU CB C 28.100 . 1 413 . 38 GLU HB2 H 1.920 . 1 414 . 38 GLU HB3 H 1.920 . 1 415 . 38 GLU CG C 35.300 . 1 416 . 38 GLU HG2 H 2.120 . 1 417 . 38 GLU HG3 H 1.890 . 1 418 . 38 GLU C C 174.200 . 1 419 . 39 LEU N N 129.300 . 1 420 . 39 LEU H H 8.966 . 1 421 . 39 LEU CA C 53.500 . 1 422 . 39 LEU HA H 4.500 . 1 423 . 39 LEU CB C 43.400 . 1 424 . 39 LEU HB2 H 1.220 . 1 425 . 39 LEU HB3 H 1.130 . 1 426 . 39 LEU CG C 25.400 . 1 427 . 39 LEU HG H 1.630 . 1 428 . 39 LEU HD1 H 0.850 . 1 429 . 39 LEU HD2 H 0.890 . 1 430 . 39 LEU CD1 C 24.100 . 1 431 . 39 LEU CD2 C 21.200 . 1 432 . 39 LEU C C 174.800 . 1 433 . 40 LEU N N 120.870 . 1 434 . 40 LEU H H 7.770 . 1 435 . 40 LEU CA C 52.800 . 1 436 . 40 LEU HA H 4.530 . 1 437 . 40 LEU CB C 43.900 . 1 438 . 40 LEU HB2 H 1.220 . 1 439 . 40 LEU HB3 H 1.050 . 1 440 . 40 LEU CG C 25.400 . 1 441 . 40 LEU HG H 1.360 . 1 442 . 40 LEU HD1 H 0.720 . 1 443 . 40 LEU HD2 H 0.820 . 1 444 . 40 LEU CD1 C 24.000 . 1 445 . 40 LEU CD2 C 22.500 . 1 446 . 40 LEU C C 173.300 . 1 447 . 41 SER N N 124.010 . 1 448 . 41 SER H H 8.660 . 1 449 . 41 SER CA C 54.600 . 1 450 . 41 SER HA H 4.880 . 1 451 . 41 SER CB C 60.700 . 1 452 . 41 SER HB2 H 3.960 . 1 453 . 41 SER HB3 H 3.870 . 1 454 . 42 PRO CD C 48.800 . 1 455 . 42 PRO CA C 61.500 . 1 456 . 42 PRO HA H 4.570 . 1 457 . 42 PRO CB C 30.300 . 1 458 . 42 PRO HB2 H 2.050 . 1 459 . 42 PRO HB3 H 1.940 . 1 460 . 42 PRO CG C 27.400 . 1 461 . 42 PRO HG2 H 1.640 . 1 462 . 42 PRO HG3 H 1.640 . 1 463 . 42 PRO HD2 H 3.960 . 1 464 . 42 PRO HD3 H 3.550 . 1 465 . 42 PRO C C 175.200 . 1 466 . 43 HIS N N 123.820 . 1 467 . 43 HIS H H 8.190 . 1 468 . 43 HIS HA H 4.140 . 1 469 . 43 HIS CB C 28.900 . 1 470 . 43 HIS CD2 C 119.600 . 1 471 . 43 HIS CE1 C 135.300 . 1 472 . 43 HIS HD2 H 7.160 . 1 473 . 43 HIS HE1 H 8.060 . 1 474 . 44 TYR CA C 52.300 . 1 475 . 44 TYR HA H 5.430 . 1 476 . 44 TYR CB C 34.200 . 1 477 . 44 TYR HB2 H 2.160 . 1 478 . 44 TYR HB3 H 2.140 . 1 479 . 44 TYR CD1 C 131.100 . 1 480 . 44 TYR HD1 H 6.440 . 1 481 . 44 TYR CE1 C 115.600 . 1 482 . 44 TYR HE1 H 6.040 . 1 483 . 44 TYR CE2 C 115.600 . 1 484 . 44 TYR HE2 H 6.040 . 1 485 . 44 TYR CD2 C 131.100 . 1 486 . 44 TYR HD2 H 6.440 . 1 487 . 44 TYR C C 173.600 . 1 488 . 45 VAL N N 123.150 . 1 489 . 45 VAL H H 8.220 . 1 490 . 45 VAL CA C 59.300 . 1 491 . 45 VAL HA H 4.230 . 1 492 . 45 VAL CB C 34.100 . 1 493 . 45 VAL HB H 1.820 . 1 494 . 45 VAL HG1 H 0.960 . 1 495 . 45 VAL HG2 H 0.570 . 1 496 . 45 VAL CG1 C 20.100 . 1 497 . 45 VAL CG2 C 20.800 . 1 498 . 45 VAL C C 171.500 . 1 499 . 46 GLU N N 124.121 . 1 500 . 46 GLU H H 7.950 . 1 501 . 46 GLU CA C 66.600 . 1 502 . 46 GLU HA H 5.410 . 1 503 . 46 GLU CB C 33.700 . 1 504 . 46 GLU HB2 H 1.850 . 1 505 . 46 GLU HB3 H 1.850 . 1 506 . 46 GLU CG C 25.100 . 1 507 . 46 GLU HG2 H 2.940 . 1 508 . 46 GLU HG3 H 2.940 . 1 509 . 46 GLU C C 174.000 . 1 510 . 47 PHE N N 122.220 . 1 511 . 47 PHE H H 9.249 . 1 512 . 47 PHE CA C 52.900 . 1 513 . 47 PHE HA H 5.000 . 1 514 . 47 PHE CB C 40.000 . 1 515 . 47 PHE HB2 H 2.947 . 1 516 . 47 PHE HB3 H 2.300 . 1 517 . 47 PHE CD1 C 130.700 . 1 518 . 47 PHE HD1 H 6.890 . 1 519 . 47 PHE CE1 C 129.700 . 1 520 . 47 PHE HE1 H 7.160 . 1 521 . 47 PHE HZ H 6.670 . 1 522 . 47 PHE CE2 C 129.700 . 1 523 . 47 PHE HE2 H 7.160 . 1 524 . 47 PHE CD2 C 130.700 . 1 525 . 47 PHE HD2 H 6.890 . 1 526 . 48 PRO CD C 49.300 . 1 527 . 48 PRO CA C 61.600 . 1 528 . 48 PRO HA H 4.704 . 1 529 . 48 PRO CB C 30.500 . 1 530 . 48 PRO HB2 H 2.390 . 1 531 . 48 PRO HB3 H 1.950 . 1 532 . 48 PRO CG C 26.100 . 1 533 . 48 PRO HG2 H 2.300 . 1 534 . 48 PRO HG3 H 2.050 . 1 535 . 48 PRO HD2 H 3.940 . 1 536 . 48 PRO HD3 H 3.800 . 1 537 . 48 PRO C C 175.000 . 1 538 . 49 ILE N N 119.307 . 1 539 . 49 ILE H H 7.940 . 1 540 . 49 ILE CA C 57.400 . 1 541 . 49 ILE HA H 4.720 . 1 542 . 49 ILE CB C 40.900 . 1 543 . 49 ILE HB H 1.560 . 1 544 . 49 ILE HG2 H 0.710 . 1 545 . 49 ILE CG2 C 16.000 . 1 546 . 49 ILE CG1 C 23.800 . 1 547 . 49 ILE HG12 H 1.010 . 1 548 . 49 ILE HG13 H 0.750 . 1 549 . 49 ILE HD1 H 0.310 . 1 550 . 49 ILE CD1 C 11.500 . 1 551 . 49 ILE C C 172.200 . 1 552 . 50 LYS N N 122.770 . 1 553 . 50 LYS H H 8.011 . 1 554 . 50 LYS CA C 50.900 . 1 555 . 50 LYS HA H 4.880 . 1 556 . 50 LYS CB C 32.400 . 1 557 . 50 LYS HB2 H 1.690 . 1 558 . 50 LYS HB3 H 1.530 . 1 559 . 50 LYS CG C 22.800 . 1 560 . 50 LYS HG2 H 1.440 . 1 561 . 50 LYS HG3 H 1.440 . 1 562 . 50 LYS CD C 27.300 . 1 563 . 50 LYS HD2 H 1.640 . 1 564 . 50 LYS HD3 H 1.640 . 1 565 . 50 LYS CE C 40.300 . 1 566 . 50 LYS HE2 H 2.970 . 1 567 . 50 LYS HE3 H 2.970 . 1 568 . 51 PRO CD C 49.400 . 1 569 . 51 PRO CA C 61.600 . 1 570 . 51 PRO HA H 3.970 . 1 571 . 51 PRO CB C 29.900 . 1 572 . 51 PRO HB2 H 2.040 . 1 573 . 51 PRO HB3 H 1.930 . 1 574 . 51 PRO CG C 26.400 . 1 575 . 51 PRO HG2 H 2.280 . 1 576 . 51 PRO HG3 H 2.280 . 1 577 . 51 PRO HD2 H 4.020 . 1 578 . 51 PRO HD3 H 3.770 . 1 579 . 51 PRO C C 175.200 . 1 580 . 52 GLY N N 112.878 . 1 581 . 52 GLY H H 9.123 . 1 582 . 52 GLY CA C 43.400 . 1 583 . 52 GLY HA2 H 4.300 . 1 584 . 52 GLY HA3 H 3.450 . 1 585 . 52 GLY C C 172.900 . 1 586 . 53 THR N N 115.660 . 1 587 . 53 THR H H 7.284 . 1 588 . 53 THR CA C 60.400 . 1 589 . 53 THR HA H 4.300 . 1 590 . 53 THR CB C 68.900 . 1 591 . 53 THR HB H 4.030 . 1 592 . 53 THR HG2 H 1.130 . 1 593 . 53 THR CG2 C 19.500 . 1 594 . 53 THR C C 171.300 . 1 595 . 54 THR N N 120.910 . 1 596 . 54 THR H H 8.599 . 1 597 . 54 THR CA C 60.000 . 1 598 . 54 THR HA H 4.670 . 1 599 . 54 THR CB C 67.300 . 1 600 . 54 THR HB H 3.900 . 1 601 . 54 THR HG2 H 0.900 . 1 602 . 54 THR CG2 C 19.500 . 1 603 . 54 THR C C 173.000 . 1 604 . 55 LEU N N 130.864 . 1 605 . 55 LEU H H 8.472 . 1 606 . 55 LEU CA C 52.000 . 1 607 . 55 LEU HA H 4.329 . 1 608 . 55 LEU CB C 39.800 . 1 609 . 55 LEU HB2 H 0.870 . 1 610 . 55 LEU HB3 H 0.800 . 1 611 . 55 LEU CG C 24.700 . 1 612 . 55 LEU HG H 1.170 . 1 613 . 55 LEU HD1 H 0.670 . 1 614 . 55 LEU HD2 H 0.730 . 1 615 . 55 LEU CD1 C 23.200 . 1 616 . 55 LEU CD2 C 22.500 . 1 617 . 55 LEU C C 173.300 . 1 618 . 56 THR N N 114.951 . 1 619 . 56 THR H H 6.648 . 1 620 . 56 THR CA C 57.900 . 1 621 . 56 THR HA H 4.300 . 1 622 . 56 THR CB C 70.000 . 1 623 . 56 THR HB H 4.700 . 1 624 . 56 THR HG2 H 1.100 . 1 625 . 56 THR CG2 C 20.800 . 1 626 . 57 LYS CA C 59.000 . 1 627 . 57 LYS HA H 3.680 . 1 628 . 57 LYS CB C 31.300 . 1 629 . 57 LYS HB2 H 1.710 . 1 630 . 57 LYS HB3 H 1.360 . 1 631 . 57 LYS CG C 22.600 . 1 632 . 57 LYS HG2 H 1.290 . 1 633 . 57 LYS HG3 H 1.290 . 1 634 . 57 LYS CD C 28.500 . 1 635 . 57 LYS HD2 H 1.660 . 1 636 . 57 LYS HD3 H 1.590 . 1 637 . 57 LYS CE C 40.000 . 1 638 . 57 LYS HE2 H 2.960 . 1 639 . 57 LYS HE3 H 2.960 . 1 640 . 57 LYS C C 173.000 . 1 641 . 58 GLU N N 119.103 . 1 642 . 58 GLU H H 8.595 . 1 643 . 58 GLU CA C 57.700 . 1 644 . 58 GLU HA H 4.040 . 1 645 . 58 GLU CB C 27.700 . 1 646 . 58 GLU HB2 H 2.050 . 1 647 . 58 GLU HB3 H 1.880 . 1 648 . 58 GLU CG C 34.600 . 1 649 . 58 GLU HG2 H 2.250 . 1 650 . 58 GLU HG3 H 2.120 . 1 651 . 58 GLU C C 177.200 . 1 652 . 59 LYS N N 121.116 . 1 653 . 59 LYS H H 7.435 . 1 654 . 59 LYS CA C 56.600 . 1 655 . 59 LYS HA H 3.900 . 1 656 . 59 LYS CB C 31.000 . 1 657 . 59 LYS HB2 H 1.760 . 1 658 . 59 LYS HB3 H 1.760 . 1 659 . 59 LYS CG C 22.900 . 1 660 . 59 LYS CE C 40.000 . 1 661 . 59 LYS HE2 H 2.760 . 1 662 . 59 LYS HE3 H 2.760 . 1 663 . 59 LYS C C 176.600 . 1 664 . 60 ILE N N 120.580 . 1 665 . 60 ILE H H 8.354 . 1 666 . 60 ILE CA C 62.500 . 1 667 . 60 ILE HA H 3.800 . 1 668 . 60 ILE CB C 34.700 . 1 669 . 60 ILE HB H 2.070 . 1 670 . 60 ILE HG2 H 0.890 . 1 671 . 60 ILE CG2 C 16.900 . 1 672 . 60 ILE CG1 C 27.600 . 1 673 . 60 ILE HG12 H 1.590 . 1 674 . 60 ILE HG13 H 1.300 . 1 675 . 60 ILE HD1 H 0.850 . 1 676 . 60 ILE CD1 C 11.400 . 1 677 . 60 ILE C C 176.200 . 1 678 . 61 GLU N N 121.084 . 1 679 . 61 GLU H H 8.703 . 1 680 . 61 GLU CA C 59.200 . 1 681 . 61 GLU HA H 3.670 . 1 682 . 61 GLU CB C 27.400 . 1 683 . 61 GLU HB2 H 2.190 . 1 684 . 61 GLU HB3 H 1.830 . 1 685 . 61 GLU CG C 36.100 . 1 686 . 61 GLU HG2 H 2.530 . 1 687 . 61 GLU HG3 H 1.910 . 1 688 . 61 GLU C C 177.100 . 1 689 . 62 TYR N N 121.980 . 1 690 . 62 TYR H H 7.491 . 1 691 . 62 TYR CA C 59.500 . 1 692 . 62 TYR HA H 4.220 . 1 693 . 62 TYR CB C 35.000 . 1 694 . 62 TYR HB2 H 2.920 . 1 695 . 62 TYR HB3 H 2.870 . 1 696 . 62 TYR CD1 C 131.600 . 1 697 . 62 TYR HD1 H 6.720 . 1 698 . 62 TYR CE1 C 116.500 . 1 699 . 62 TYR HE1 H 6.690 . 1 700 . 62 TYR CE2 C 116.500 . 1 701 . 62 TYR HE2 H 6.690 . 1 702 . 62 TYR CD2 C 131.600 . 1 703 . 62 TYR HD2 H 6.720 . 1 704 . 62 TYR C C 176.000 . 1 705 . 63 TYR N N 121.549 . 1 706 . 63 TYR H H 7.893 . 1 707 . 63 TYR CA C 59.200 . 1 708 . 63 TYR HA H 3.920 . 1 709 . 63 TYR CB C 35.400 . 1 710 . 63 TYR HB2 H 2.790 . 1 711 . 63 TYR HB3 H 2.600 . 1 712 . 63 TYR CD1 C 130.800 . 1 713 . 63 TYR HD1 H 6.050 . 1 714 . 63 TYR CE1 C 115.200 . 1 715 . 63 TYR HE1 H 6.300 . 1 716 . 63 TYR CE2 C 115.200 . 1 717 . 63 TYR HE2 H 6.300 . 1 718 . 63 TYR CD2 C 130.800 . 1 719 . 63 TYR HD2 H 6.050 . 1 720 . 63 TYR C C 176.800 . 1 721 . 64 VAL N N 120.521 . 1 722 . 64 VAL H H 8.498 . 1 723 . 64 VAL CA C 65.700 . 1 724 . 64 VAL HA H 3.610 . 1 725 . 64 VAL CB C 29.500 . 1 726 . 64 VAL HB H 2.230 . 1 727 . 64 VAL HG1 H 0.990 . 1 728 . 64 VAL HG2 H 0.890 . 1 729 . 64 VAL CG1 C 21.900 . 1 730 . 64 VAL CG2 C 20.900 . 1 731 . 64 VAL C C 175.600 . 1 732 . 65 GLU N N 122.593 . 1 733 . 65 GLU H H 8.351 . 1 734 . 65 GLU CA C 58.900 . 1 735 . 65 GLU HA H 3.790 . 1 736 . 65 GLU CB C 27.800 . 1 737 . 65 GLU HB2 H 2.210 . 1 738 . 65 GLU HB3 H 2.210 . 1 739 . 65 GLU CG C 35.700 . 1 740 . 65 GLU HG2 H 2.430 . 1 741 . 65 GLU HG3 H 2.250 . 1 742 . 65 GLU C C 176.800 . 1 743 . 66 TRP N N 122.368 . 1 744 . 66 TRP H H 8.446 . 1 745 . 66 TRP CA C 58.500 . 1 746 . 66 TRP HA H 4.390 . 1 747 . 66 TRP CB C 27.500 . 1 748 . 66 TRP HB2 H 3.540 . 1 749 . 66 TRP HB3 H 3.170 . 1 750 . 66 TRP CD1 C 124.700 . 1 751 . 66 TRP CE3 C 119.600 . 1 752 . 66 TRP NE1 N 129.930 . 1 753 . 66 TRP HD1 H 7.220 . 1 754 . 66 TRP HE3 H 7.190 . 1 755 . 66 TRP CZ3 C 119.900 . 1 756 . 66 TRP CZ2 C 112.600 . 1 757 . 66 TRP HE1 H 10.100 . 1 758 . 66 TRP HZ3 H 6.940 . 1 759 . 66 TRP CH2 C 122.800 . 1 760 . 66 TRP HZ2 H 7.420 . 1 761 . 66 TRP HH2 H 7.140 . 1 762 . 67 ALA N N 123.790 . 1 763 . 67 ALA H H 8.670 . 1 764 . 67 ALA CA C 53.900 . 1 765 . 67 ALA HA H 4.310 . 1 766 . 67 ALA HB H 1.750 . 1 767 . 67 ALA CB C 16.500 . 1 768 . 68 LEU N N 120.870 . 1 769 . 68 LEU H H 8.370 . 1 770 . 68 LEU CA C 56.500 . 1 771 . 68 LEU HA H 3.960 . 1 772 . 68 LEU CB C 39.600 . 1 773 . 68 LEU HB2 H 2.100 . 1 774 . 68 LEU HB3 H 1.600 . 1 775 . 68 LEU CG C 24.900 . 1 776 . 68 LEU HG H 1.900 . 1 777 . 68 LEU HD1 H 0.700 . 1 778 . 68 LEU HD2 H 0.600 . 1 779 . 68 LEU CD1 C 25.000 . 1 780 . 68 LEU CD2 C 21.800 . 1 781 . 69 ASP N N 122.090 . 1 782 . 69 ASP H H 8.570 . 1 783 . 69 ASP CA C 52.300 . 1 784 . 69 ASP HA H 4.590 . 1 785 . 69 ASP CB C 38.700 . 1 786 . 69 ASP HB2 H 2.680 . 1 787 . 69 ASP HB3 H 2.680 . 1 788 . 69 ASP C C 175.900 . 1 789 . 70 ALA N N 122.005 . 1 790 . 70 ALA H H 8.022 . 1 791 . 70 ALA CA C 52.100 . 1 792 . 70 ALA HA H 4.180 . 1 793 . 70 ALA HB H 1.470 . 1 794 . 70 ALA CB C 16.500 . 1 795 . 70 ALA C C 177.100 . 1 796 . 71 THR N N 113.110 . 1 797 . 71 THR H H 7.550 . 1 798 . 71 THR CA C 62.100 . 1 799 . 71 THR HA H 4.360 . 1 800 . 71 THR CB C 68.500 . 1 801 . 71 THR HB H 4.110 . 1 802 . 71 THR HG2 H 1.150 . 1 803 . 71 THR CG2 C 19.800 . 1 804 . 71 THR C C 172.300 . 1 805 . 72 ALA N N 128.551 . 1 806 . 72 ALA H H 8.598 . 1 807 . 72 ALA CA C 52.600 . 1 808 . 72 ALA HA H 4.580 . 1 809 . 72 ALA HB H 1.390 . 1 810 . 72 ALA CB C 17.500 . 1 811 . 72 ALA C C 174.700 . 1 812 . 73 TYR N N 125.660 . 1 813 . 73 TYR H H 8.308 . 1 814 . 73 TYR CA C 61.500 . 1 815 . 73 TYR HA H 4.470 . 1 816 . 73 TYR CB C 36.300 . 1 817 . 73 TYR HB2 H 3.040 . 1 818 . 73 TYR HB3 H 2.960 . 1 819 . 73 TYR CD1 C 131.800 . 1 820 . 73 TYR HD1 H 6.960 . 1 821 . 73 TYR CE1 C 116.400 . 1 822 . 73 TYR HE1 H 6.680 . 1 823 . 73 TYR CE2 C 116.400 . 1 824 . 73 TYR HE2 H 6.680 . 1 825 . 73 TYR CD2 C 131.800 . 1 826 . 73 TYR HD2 H 6.960 . 1 827 . 74 LYS CA C 54.000 . 1 828 . 74 LYS HA H 4.020 . 1 829 . 74 LYS CB C 30.900 . 1 830 . 74 LYS HB2 H 1.900 . 1 831 . 74 LYS HB3 H 1.900 . 1 832 . 74 LYS CG C 22.100 . 1 833 . 74 LYS HG2 H 1.470 . 1 834 . 74 LYS HG3 H 1.470 . 1 835 . 74 LYS CD C 27.500 . 1 836 . 74 LYS HD2 H 1.690 . 1 837 . 74 LYS HD3 H 1.690 . 1 838 . 74 LYS CE C 40.300 . 1 839 . 74 LYS HE2 H 2.990 . 1 840 . 74 LYS HE3 H 2.990 . 1 841 . 74 LYS C C 174.100 . 1 842 . 75 GLU N N 118.980 . 1 843 . 75 GLU H H 7.790 . 1 844 . 75 GLU CA C 55.900 . 1 845 . 75 GLU HA H 4.130 . 1 846 . 75 GLU CB C 29.800 . 1 847 . 75 GLU HB2 H 1.570 . 1 848 . 75 GLU HB3 H 1.570 . 1 849 . 75 GLU CG C 34.800 . 1 850 . 75 GLU HG2 H 1.940 . 1 851 . 75 GLU HG3 H 1.750 . 1 852 . 75 GLU C C 175.400 . 1 853 . 76 PHE N N 119.045 . 1 854 . 76 PHE H H 8.751 . 1 855 . 76 PHE CA C 55.400 . 1 856 . 76 PHE HA H 5.270 . 1 857 . 76 PHE CB C 41.400 . 1 858 . 76 PHE HB2 H 2.900 . 1 859 . 76 PHE HB3 H 2.860 . 1 860 . 76 PHE CD1 C 132.200 . 1 861 . 76 PHE HD1 H 6.940 . 1 862 . 76 PHE HE1 H 6.690 . 1 863 . 76 PHE HE2 H 6.690 . 1 864 . 76 PHE CD2 C 132.200 . 1 865 . 76 PHE HD2 H 6.940 . 1 866 . 76 PHE C C 172.300 . 1 867 . 77 ARG N N 120.066 . 1 868 . 77 ARG H H 9.184 . 1 869 . 77 ARG CA C 51.500 . 1 870 . 77 ARG HA H 4.810 . 1 871 . 77 ARG CB C 32.000 . 1 872 . 77 ARG HB2 H 1.770 . 1 873 . 77 ARG HB3 H 1.630 . 1 874 . 77 ARG CG C 25.500 . 1 875 . 77 ARG HG2 H 1.470 . 1 876 . 77 ARG HG3 H 1.430 . 1 877 . 77 ARG CD C 41.600 . 1 878 . 77 ARG HD2 H 3.210 . 1 879 . 77 ARG HD3 H 3.160 . 1 880 . 77 ARG NE N 118.942 . 1 881 . 77 ARG HE H 7.390 . 1 882 . 77 ARG C C 173.800 . 1 883 . 78 VAL N N 124.953 . 1 884 . 78 VAL H H 8.940 . 1 885 . 78 VAL CA C 62.200 . 1 886 . 78 VAL HA H 3.760 . 1 887 . 78 VAL CB C 30.500 . 1 888 . 78 VAL HB H 2.044 . 1 889 . 78 VAL HG1 H 0.930 . 1 890 . 78 VAL HG2 H 0.670 . 1 891 . 78 VAL CG1 C 21.200 . 1 892 . 78 VAL CG2 C 18.900 . 1 893 . 78 VAL C C 174.000 . 1 894 . 79 VAL N N 130.863 . 1 895 . 79 VAL H H 9.184 . 1 896 . 79 VAL CA C 62.700 . 1 897 . 79 VAL HA H 3.950 . 1 898 . 79 VAL CB C 31.000 . 1 899 . 79 VAL HB H 1.720 . 1 900 . 79 VAL HG1 H 0.810 . 1 901 . 79 VAL HG2 H 0.890 . 1 902 . 79 VAL CG1 C 19.200 . 1 903 . 79 VAL CG2 C 18.700 . 1 904 . 79 VAL C C 174.800 . 1 905 . 80 GLU N N 115.709 . 1 906 . 80 GLU H H 7.484 . 1 907 . 80 GLU CA C 54.100 . 1 908 . 80 GLU HA H 4.560 . 1 909 . 80 GLU CB C 31.000 . 1 910 . 80 GLU HB2 H 2.100 . 1 911 . 80 GLU HB3 H 1.950 . 1 912 . 80 GLU CG C 33.700 . 1 913 . 80 GLU HG2 H 2.120 . 1 914 . 80 GLU HG3 H 2.120 . 1 915 . 80 GLU C C 173.000 . 1 916 . 81 LEU N N 127.273 . 1 917 . 81 LEU H H 9.068 . 1 918 . 81 LEU CA C 53.100 . 1 919 . 81 LEU HA H 4.440 . 1 920 . 81 LEU CB C 41.200 . 1 921 . 81 LEU HB2 H 1.600 . 1 922 . 81 LEU HB3 H 1.600 . 1 923 . 81 LEU CG C 26.300 . 1 924 . 81 LEU HG H 1.800 . 1 925 . 81 LEU HD1 H 0.920 . 1 926 . 81 LEU HD2 H 0.860 . 1 927 . 81 LEU CD1 C 23.900 . 1 928 . 81 LEU CD2 C 23.400 . 1 929 . 81 LEU C C 174.400 . 1 930 . 82 ASP N N 125.120 . 1 931 . 82 ASP H H 7.630 . 1 932 . 82 ASP CA C 51.200 . 1 933 . 82 ASP HA H 4.670 . 1 934 . 82 ASP CB C 41.200 . 1 935 . 82 ASP HB2 H 2.870 . 1 936 . 82 ASP HB3 H 2.760 . 1 937 . 83 PRO CD C 49.800 . 1 938 . 83 PRO CA C 62.900 . 1 939 . 83 PRO HA H 4.490 . 1 940 . 83 PRO CB C 30.500 . 1 941 . 83 PRO HB2 H 2.410 . 1 942 . 83 PRO HB3 H 2.050 . 1 943 . 83 PRO CG C 25.300 . 1 944 . 83 PRO HG2 H 1.950 . 1 945 . 83 PRO HG3 H 1.950 . 1 946 . 83 PRO HD2 H 3.920 . 1 947 . 83 PRO HD3 H 3.790 . 1 948 . 83 PRO C C 176.100 . 1 949 . 84 SER N N 116.150 . 1 950 . 84 SER H H 8.935 . 1 951 . 84 SER CA C 56.700 . 1 952 . 84 SER HA H 4.510 . 1 953 . 84 SER CB C 62.400 . 1 954 . 84 SER HB2 H 4.000 . 1 955 . 84 SER HB3 H 3.920 . 1 956 . 84 SER C C 173.000 . 1 957 . 85 ALA N N 127.555 . 1 958 . 85 ALA H H 7.811 . 1 959 . 85 ALA CA C 51.700 . 1 960 . 85 ALA HA H 4.320 . 1 961 . 85 ALA HB H 1.570 . 1 962 . 85 ALA CB C 17.700 . 1 963 . 85 ALA C C 174.800 . 1 964 . 86 LYS N N 120.088 . 1 965 . 86 LYS H H 8.365 . 1 966 . 86 LYS CA C 52.800 . 1 967 . 86 LYS HA H 4.790 . 1 968 . 86 LYS CB C 34.000 . 1 969 . 86 LYS HB2 H 1.790 . 1 970 . 86 LYS HB3 H 1.620 . 1 971 . 86 LYS CG C 22.100 . 1 972 . 86 LYS HG2 H 1.430 . 1 973 . 86 LYS HG3 H 1.330 . 1 974 . 86 LYS CD C 27.400 . 1 975 . 86 LYS HD2 H 1.620 . 1 976 . 86 LYS HD3 H 1.520 . 1 977 . 86 LYS CE C 40.300 . 1 978 . 86 LYS HE2 H 2.920 . 1 979 . 86 LYS HE3 H 2.920 . 1 980 . 86 LYS C C 172.700 . 1 981 . 87 ILE N N 121.598 . 1 982 . 87 ILE H H 8.586 . 1 983 . 87 ILE CA C 57.300 . 1 984 . 87 ILE HA H 5.060 . 1 985 . 87 ILE CB C 37.000 . 1 986 . 87 ILE HB H 1.880 . 1 987 . 87 ILE HG2 H 1.060 . 1 988 . 87 ILE CG2 C 17.600 . 1 989 . 87 ILE CG1 C 27.600 . 1 990 . 87 ILE HG12 H 1.660 . 1 991 . 87 ILE HG13 H 1.300 . 1 992 . 87 ILE HD1 H 0.960 . 1 993 . 87 ILE CD1 C 11.800 . 1 994 . 87 ILE C C 174.000 . 1 995 . 88 GLU N N 127.459 . 1 996 . 88 GLU H H 8.774 . 1 997 . 88 GLU CA C 52.900 . 1 998 . 88 GLU HA H 5.690 . 1 999 . 88 GLU CB C 32.900 . 1 1000 . 88 GLU HB2 H 1.950 . 1 1001 . 88 GLU HB3 H 1.950 . 1 1002 . 88 GLU CG C 35.800 . 1 1003 . 88 GLU HG2 H 2.190 . 1 1004 . 88 GLU HG3 H 2.060 . 1 1005 . 88 GLU C C 173.000 . 1 1006 . 89 VAL N N 124.048 . 1 1007 . 89 VAL H H 8.917 . 1 1008 . 89 VAL CA C 57.500 . 1 1009 . 89 VAL HA H 4.810 . 1 1010 . 89 VAL CB C 33.700 . 1 1011 . 89 VAL HB H 1.283 . 1 1012 . 89 VAL HG1 H 0.280 . 1 1013 . 89 VAL HG2 H 0.890 . 1 1014 . 89 VAL CG1 C 19.000 . 1 1015 . 89 VAL CG2 C 17.600 . 1 1016 . 89 VAL C C 170.400 . 1 1017 . 90 THR N N 126.463 . 1 1018 . 90 THR H H 8.576 . 1 1019 . 90 THR CA C 59.300 . 1 1020 . 90 THR HA H 5.570 . 1 1021 . 90 THR CB C 69.300 . 1 1022 . 90 THR HB H 3.710 . 1 1023 . 90 THR HG2 H 1.010 . 1 1024 . 90 THR CG2 C 19.300 . 1 1025 . 90 THR C C 171.700 . 1 1026 . 91 TYR N N 124.185 . 1 1027 . 91 TYR H H 8.660 . 1 1028 . 91 TYR CA C 53.700 . 1 1029 . 91 TYR HA H 4.860 . 1 1030 . 91 TYR CB C 38.600 . 1 1031 . 91 TYR HB2 H 2.920 . 1 1032 . 91 TYR HB3 H 2.800 . 1 1033 . 91 TYR CD1 C 128.000 . 1 1034 . 91 TYR HD1 H 6.480 . 1 1035 . 91 TYR CE1 C 116.500 . 1 1036 . 91 TYR HE1 H 6.500 . 1 1037 . 91 TYR CE2 C 116.500 . 1 1038 . 91 TYR HE2 H 6.500 . 1 1039 . 91 TYR CD2 C 128.000 . 1 1040 . 91 TYR HD2 H 6.480 . 1 1041 . 91 TYR C C 169.900 . 1 1042 . 92 TYR N N 123.380 . 1 1043 . 92 TYR H H 8.967 . 1 1044 . 92 TYR CA C 56.400 . 1 1045 . 92 TYR HA H 4.310 . 1 1046 . 92 TYR CB C 36.900 . 1 1047 . 92 TYR HB2 H 3.020 . 1 1048 . 92 TYR HB3 H 2.900 . 1 1049 . 92 TYR CD1 C 131.300 . 1 1050 . 92 TYR HD1 H 6.830 . 1 1051 . 92 TYR CE1 C 115.800 . 1 1052 . 92 TYR HE1 H 6.560 . 1 1053 . 92 TYR CE2 C 115.800 . 1 1054 . 92 TYR HE2 H 6.560 . 1 1055 . 92 TYR CD2 C 131.300 . 1 1056 . 92 TYR HD2 H 6.830 . 1 1057 . 92 TYR C C 172.440 . 1 1058 . 93 ASP N N 131.850 . 1 1059 . 93 ASP H H 7.910 . 1 1060 . 93 ASP CA C 50.700 . 1 1061 . 93 ASP HA H 4.530 . 1 1062 . 93 ASP CB C 40.500 . 1 1063 . 93 ASP HB2 H 2.750 . 1 1064 . 93 ASP HB3 H 1.940 . 1 1065 . 93 ASP C C 175.000 . 1 1066 . 94 LYS N N 128.759 . 1 1067 . 94 LYS H H 9.908 . 1 1068 . 94 LYS CA C 57.000 . 1 1069 . 94 LYS HA H 4.040 . 1 1070 . 94 LYS CB C 30.900 . 1 1071 . 94 LYS HB2 H 2.100 . 1 1072 . 94 LYS HB3 H 2.100 . 1 1073 . 94 LYS CG C 23.600 . 1 1074 . 94 LYS HG2 H 1.780 . 1 1075 . 94 LYS HG3 H 1.780 . 1 1076 . 94 LYS CD C 27.900 . 1 1077 . 94 LYS HD2 H 1.890 . 1 1078 . 94 LYS HD3 H 1.890 . 1 1079 . 94 LYS CE C 40.300 . 1 1080 . 94 LYS HE2 H 3.140 . 1 1081 . 94 LYS HE3 H 3.200 . 1 1082 . 94 LYS C C 176.100 . 1 1083 . 95 ASN N N 119.400 . 1 1084 . 95 ASN H H 8.840 . 1 1085 . 95 ASN CA C 53.500 . 1 1086 . 95 ASN HA H 4.720 . 1 1087 . 95 ASN CB C 37.000 . 1 1088 . 95 ASN HB2 H 3.160 . 1 1089 . 95 ASN HB3 H 2.860 . 1 1090 . 95 ASN ND2 N 117.440 . 1 1091 . 95 ASN HD21 H 8.160 . 1 1092 . 95 ASN HD22 H 7.290 . 1 1093 . 95 ASN C C 175.500 . 1 1094 . 96 LYS N N 121.068 . 1 1095 . 96 LYS H H 8.303 . 1 1096 . 96 LYS CA C 54.900 . 1 1097 . 96 LYS HA H 4.060 . 1 1098 . 96 LYS CB C 32.300 . 1 1099 . 96 LYS HB2 H 1.730 . 1 1100 . 96 LYS HB3 H 1.300 . 1 1101 . 96 LYS CG C 23.200 . 1 1102 . 96 LYS HG2 H 1.440 . 1 1103 . 96 LYS HG3 H 1.440 . 1 1104 . 96 LYS CD C 27.500 . 1 1105 . 96 LYS HD2 H 1.560 . 1 1106 . 96 LYS HD3 H 1.560 . 1 1107 . 96 LYS CE C 40.000 . 1 1108 . 96 LYS HE2 H 2.910 . 1 1109 . 96 LYS HE3 H 2.910 . 1 1110 . 96 LYS C C 174.500 . 1 1111 . 97 LYS N N 117.454 . 1 1112 . 97 LYS H H 8.096 . 1 1113 . 97 LYS CA C 55.300 . 1 1114 . 97 LYS HA H 3.590 . 1 1115 . 97 LYS CB C 26.700 . 1 1116 . 97 LYS HB2 H 2.070 . 1 1117 . 97 LYS HB3 H 1.890 . 1 1118 . 97 LYS CG C 23.400 . 1 1119 . 97 LYS HG2 H 1.290 . 1 1120 . 97 LYS HG3 H 1.290 . 1 1121 . 97 LYS CD C 27.700 . 1 1122 . 97 LYS HD2 H 1.740 . 1 1123 . 97 LYS HD3 H 1.690 . 1 1124 . 97 LYS CE C 40.600 . 1 1125 . 97 LYS HE2 H 3.080 . 1 1126 . 97 LYS HE3 H 3.080 . 1 1127 . 97 LYS C C 173.300 . 1 1128 . 98 LYS N N 115.399 . 1 1129 . 98 LYS H H 6.853 . 1 1130 . 98 LYS CA C 52.900 . 1 1131 . 98 LYS HA H 4.480 . 1 1132 . 98 LYS CB C 33.900 . 1 1133 . 98 LYS HB2 H 1.690 . 1 1134 . 98 LYS HB3 H 1.570 . 1 1135 . 98 LYS CG C 21.300 . 1 1136 . 98 LYS HG2 H 1.170 . 1 1137 . 98 LYS HG3 H 1.060 . 1 1138 . 98 LYS CD C 27.200 . 1 1139 . 98 LYS HD2 H 1.550 . 1 1140 . 98 LYS HD3 H 1.550 . 1 1141 . 98 LYS CE C 39.800 . 1 1142 . 98 LYS HE2 H 2.930 . 1 1143 . 98 LYS HE3 H 2.930 . 1 1144 . 98 LYS C C 172.600 . 1 1145 . 99 GLU N N 123.701 . 1 1146 . 99 GLU H H 8.567 . 1 1147 . 99 GLU CA C 54.900 . 1 1148 . 99 GLU HA H 4.500 . 1 1149 . 99 GLU CB C 28.600 . 1 1150 . 99 GLU HB2 H 1.900 . 1 1151 . 99 GLU HB3 H 1.780 . 1 1152 . 99 GLU CG C 35.900 . 1 1153 . 99 GLU HG2 H 2.140 . 1 1154 . 99 GLU HG3 H 1.990 . 1 1155 . 99 GLU C C 173.700 . 1 1156 . 100 GLU N N 129.048 . 1 1157 . 100 GLU H H 8.838 . 1 1158 . 100 GLU CA C 52.600 . 1 1159 . 100 GLU HA H 4.510 . 1 1160 . 100 GLU CB C 31.600 . 1 1161 . 100 GLU HB2 H 1.320 . 1 1162 . 100 GLU HB3 H 1.060 . 1 1163 . 100 GLU CG C 33.800 . 1 1164 . 100 GLU HG2 H 1.880 . 1 1165 . 100 GLU HG3 H 1.880 . 1 1166 . 100 GLU C C 172.500 . 1 1167 . 101 THR N N 119.237 . 1 1168 . 101 THR H H 8.170 . 1 1169 . 101 THR CA C 59.400 . 1 1170 . 101 THR HA H 5.360 . 1 1171 . 101 THR CB C 69.800 . 1 1172 . 101 THR HB H 3.710 . 1 1173 . 101 THR HG2 H 0.970 . 1 1174 . 101 THR CG2 C 19.000 . 1 1175 . 101 THR C C 172.200 . 1 1176 . 102 LYS N N 128.535 . 1 1177 . 102 LYS H H 9.086 . 1 1178 . 102 LYS CA C 52.400 . 1 1179 . 102 LYS HA H 4.530 . 1 1180 . 102 LYS CB C 33.400 . 1 1181 . 102 LYS HB2 H 1.670 . 1 1182 . 102 LYS HB3 H 1.510 . 1 1183 . 102 LYS CG C 23.100 . 1 1184 . 102 LYS HG2 H 1.460 . 1 1185 . 102 LYS HG3 H 1.360 . 1 1186 . 102 LYS CD C 27.200 . 1 1187 . 102 LYS HD2 H 1.730 . 1 1188 . 102 LYS HD3 H 1.630 . 1 1189 . 102 LYS CE C 40.300 . 1 1190 . 102 LYS HE2 H 3.020 . 1 1191 . 102 LYS HE3 H 2.950 . 1 1192 . 102 LYS C C 172.500 . 1 1193 . 103 SER N N 117.262 . 1 1194 . 103 SER H H 7.885 . 1 1195 . 103 SER CA C 54.600 . 1 1196 . 103 SER HA H 5.350 . 1 1197 . 103 SER CB C 63.500 . 1 1198 . 103 SER HB2 H 3.570 . 1 1199 . 103 SER HB3 H 3.470 . 1 1200 . 103 SER C C 171.700 . 1 1201 . 104 PHE N N 125.131 . 1 1202 . 104 PHE H H 9.357 . 1 1203 . 104 PHE CA C 52.500 . 1 1204 . 104 PHE HA H 4.760 . 1 1205 . 104 PHE CB C 39.100 . 1 1206 . 104 PHE HB2 H 1.930 . 1 1207 . 104 PHE HB3 H 1.830 . 1 1208 . 104 PHE CD1 C 130.900 . 1 1209 . 104 PHE HD1 H 6.820 . 1 1210 . 104 PHE CE1 C 126.400 . 1 1211 . 104 PHE HE1 H 6.540 . 1 1212 . 104 PHE HZ H 6.450 . 1 1213 . 104 PHE CE2 C 126.400 . 1 1214 . 104 PHE HE2 H 6.540 . 1 1215 . 104 PHE CD2 C 130.900 . 1 1216 . 104 PHE HD2 H 6.820 . 1 1217 . 105 PRO CD C 48.900 . 1 1218 . 105 PRO CA C 60.200 . 1 1219 . 105 PRO HA H 4.700 . 1 1220 . 105 PRO CB C 30.900 . 1 1221 . 105 PRO HB2 H 2.270 . 1 1222 . 105 PRO HB3 H 1.940 . 1 1223 . 105 PRO CG C 25.200 . 1 1224 . 105 PRO HG2 H 2.090 . 1 1225 . 105 PRO HG3 H 2.090 . 1 1226 . 105 PRO HD2 H 3.780 . 1 1227 . 105 PRO HD3 H 3.750 . 1 1228 . 105 PRO C C 174.100 . 1 1229 . 106 ILE N N 123.299 . 1 1230 . 106 ILE H H 8.516 . 1 1231 . 106 ILE CA C 59.100 . 1 1232 . 106 ILE HA H 4.460 . 1 1233 . 106 ILE CB C 34.800 . 1 1234 . 106 ILE HB H 1.940 . 1 1235 . 106 ILE HG2 H 0.790 . 1 1236 . 106 ILE CG2 C 15.700 . 1 1237 . 106 ILE CG1 C 25.800 . 1 1238 . 106 ILE HG12 H 1.650 . 1 1239 . 106 ILE HG13 H 1.090 . 1 1240 . 106 ILE HD1 H 0.780 . 1 1241 . 106 ILE CD1 C 11.600 . 1 1242 . 106 ILE C C 174.500 . 1 1243 . 107 THR N N 118.075 . 1 1244 . 107 THR H H 8.331 . 1 1245 . 107 THR CA C 57.300 . 1 1246 . 107 THR HA H 4.920 . 1 1247 . 107 THR CB C 71.200 . 1 1248 . 107 THR HB H 4.650 . 1 1249 . 107 THR HG2 H 1.240 . 1 1250 . 107 THR CG2 C 19.900 . 1 1251 . 107 THR C C 173.600 . 1 1252 . 108 GLU N N 125.012 . 1 1253 . 108 GLU H H 9.240 . 1 1254 . 108 GLU CA C 58.100 . 1 1255 . 108 GLU HA H 4.250 . 1 1256 . 108 GLU CB C 27.800 . 1 1257 . 108 GLU HB2 H 2.150 . 1 1258 . 108 GLU HB3 H 2.150 . 1 1259 . 108 GLU CG C 34.800 . 1 1260 . 108 GLU HG2 H 2.410 . 1 1261 . 108 GLU HG3 H 2.350 . 1 1262 . 108 GLU C C 176.900 . 1 1263 . 109 LYS N N 118.691 . 1 1264 . 109 LYS H H 8.347 . 1 1265 . 109 LYS CA C 55.600 . 1 1266 . 109 LYS HA H 4.140 . 1 1267 . 109 LYS CB C 31.000 . 1 1268 . 109 LYS HB2 H 1.880 . 1 1269 . 109 LYS HB3 H 1.880 . 1 1270 . 109 LYS CG C 23.400 . 1 1271 . 109 LYS HG2 H 1.580 . 1 1272 . 109 LYS HG3 H 1.500 . 1 1273 . 109 LYS CD C 27.000 . 1 1274 . 109 LYS HD2 H 1.740 . 1 1275 . 109 LYS HD3 H 1.740 . 1 1276 . 109 LYS CE C 40.300 . 1 1277 . 109 LYS HE2 H 3.030 . 1 1278 . 109 LYS HE3 H 3.030 . 1 1279 . 109 LYS C C 176.300 . 1 1280 . 110 GLY N N 107.220 . 1 1281 . 110 GLY H H 7.677 . 1 1282 . 110 GLY CA C 43.600 . 1 1283 . 110 GLY HA2 H 4.230 . 1 1284 . 110 GLY HA3 H 3.800 . 1 1285 . 110 GLY C C 170.400 . 1 1286 . 111 PHE N N 115.446 . 1 1287 . 111 PHE H H 7.110 . 1 1288 . 111 PHE CA C 52.300 . 1 1289 . 111 PHE HA H 5.090 . 1 1290 . 111 PHE CB C 40.400 . 1 1291 . 111 PHE HB2 H 3.134 . 1 1292 . 111 PHE HB3 H 2.980 . 1 1293 . 111 PHE CD1 C 130.700 . 1 1294 . 111 PHE HD1 H 6.840 . 1 1295 . 111 PHE CE1 C 129.000 . 1 1296 . 111 PHE HE1 H 6.600 . 1 1297 . 111 PHE CE2 C 129.000 . 1 1298 . 111 PHE HE2 H 6.600 . 1 1299 . 111 PHE CD2 C 130.700 . 1 1300 . 111 PHE HD2 H 6.840 . 1 1301 . 111 PHE C C 170.700 . 1 1302 . 112 VAL N N 124.178 . 1 1303 . 112 VAL H H 8.511 . 1 1304 . 112 VAL CA C 59.500 . 1 1305 . 112 VAL HA H 4.059 . 1 1306 . 112 VAL CB C 30.500 . 1 1307 . 112 VAL HB H 1.822 . 1 1308 . 112 VAL HG1 H 0.860 . 1 1309 . 112 VAL HG2 H 0.670 . 1 1310 . 112 VAL CG1 C 19.800 . 1 1311 . 112 VAL CG2 C 19.500 . 1 1312 . 112 VAL C C 174.800 . 1 1313 . 113 VAL N N 131.629 . 1 1314 . 113 VAL H H 8.614 . 1 1315 . 113 VAL CA C 59.300 . 1 1316 . 113 VAL HA H 3.540 . 1 1317 . 113 VAL CB C 30.500 . 1 1318 . 113 VAL HB H 1.890 . 1 1319 . 113 VAL HG1 H 0.450 . 1 1320 . 113 VAL HG2 H 0.370 . 1 1321 . 113 VAL CG1 C 20.600 . 1 1322 . 113 VAL CG2 C 18.400 . 1 1323 . 114 PRO CD C 48.800 . 1 1324 . 114 PRO CA C 60.500 . 1 1325 . 114 PRO HA H 4.573 . 1 1326 . 114 PRO CB C 30.700 . 1 1327 . 114 PRO HB2 H 2.440 . 1 1328 . 114 PRO HB3 H 1.890 . 1 1329 . 114 PRO CG C 25.500 . 1 1330 . 114 PRO HG2 H 2.040 . 1 1331 . 114 PRO HG3 H 2.040 . 1 1332 . 114 PRO HD2 H 3.890 . 1 1333 . 114 PRO HD3 H 3.850 . 1 1334 . 114 PRO C C 175.000 . 1 1335 . 115 ASP N N 119.254 . 1 1336 . 115 ASP H H 8.594 . 1 1337 . 115 ASP CA C 51.200 . 1 1338 . 115 ASP HA H 4.700 . 1 1339 . 115 ASP CB C 38.800 . 1 1340 . 115 ASP HB2 H 3.080 . 1 1341 . 115 ASP HB3 H 2.510 . 1 1342 . 115 ASP C C 175.300 . 1 1343 . 116 LEU N N 130.030 . 1 1344 . 116 LEU H H 9.024 . 1 1345 . 116 LEU CA C 52.100 . 1 1346 . 116 LEU HA H 4.670 . 1 1347 . 116 LEU CB C 40.000 . 1 1348 . 116 LEU HB2 H 1.480 . 1 1349 . 116 LEU HB3 H 1.480 . 1 1350 . 116 LEU CG C 24.900 . 1 1351 . 116 LEU HG H 1.480 . 1 1352 . 116 LEU HD1 H 0.520 . 1 1353 . 116 LEU HD2 H 0.540 . 1 1354 . 116 LEU CD1 C 24.800 . 1 1355 . 116 LEU CD2 C 20.300 . 1 1356 . 116 LEU C C 176.200 . 1 1357 . 117 SER N N 118.974 . 1 1358 . 117 SER H H 8.380 . 1 1359 . 117 SER CA C 60.800 . 1 1360 . 117 SER HA H 4.220 . 1 1361 . 117 SER CB C 61.200 . 1 1362 . 117 SER HB2 H 4.090 . 1 1363 . 117 SER HB3 H 3.910 . 1 1364 . 117 SER C C 173.900 . 1 1365 . 118 GLU N N 124.376 . 1 1366 . 118 GLU H H 8.713 . 1 1367 . 118 GLU CA C 57.000 . 1 1368 . 118 GLU HA H 3.930 . 1 1369 . 118 GLU CB C 27.700 . 1 1370 . 118 GLU HB2 H 1.710 . 1 1371 . 118 GLU HB3 H 1.350 . 1 1372 . 118 GLU CG C 33.900 . 1 1373 . 118 GLU HG2 H 1.780 . 1 1374 . 118 GLU HG3 H 1.780 . 1 1375 . 118 GLU C C 174.600 . 1 1376 . 119 HIS N N 117.818 . 1 1377 . 119 HIS H H 8.050 . 1 1378 . 119 HIS CA C 55.100 . 1 1379 . 119 HIS HA H 4.790 . 1 1380 . 119 HIS CB C 32.100 . 1 1381 . 119 HIS HB2 H 3.680 . 1 1382 . 119 HIS HB3 H 2.820 . 1 1383 . 119 HIS CD2 C 117.200 . 1 1384 . 119 HIS CE1 C 137.800 . 1 1385 . 119 HIS HD2 H 6.550 . 1 1386 . 119 HIS HE1 H 7.620 . 1 1387 . 119 HIS C C 175.100 . 1 1388 . 120 ILE N N 120.024 . 1 1389 . 120 ILE H H 8.199 . 1 1390 . 120 ILE CA C 57.600 . 1 1391 . 120 ILE HA H 4.580 . 1 1392 . 120 ILE CB C 38.200 . 1 1393 . 120 ILE HB H 2.200 . 1 1394 . 120 ILE HG2 H 0.800 . 1 1395 . 120 ILE CG2 C 14.100 . 1 1396 . 120 ILE CG1 C 27.700 . 1 1397 . 120 ILE HG12 H 1.650 . 1 1398 . 120 ILE HG13 H 0.840 . 1 1399 . 120 ILE HD1 H 1.070 . 1 1400 . 120 ILE CD1 C 12.700 . 1 1401 . 120 ILE C C 171.700 . 1 1402 . 121 LYS N N 127.298 . 1 1403 . 121 LYS H H 8.707 . 1 1404 . 121 LYS CA C 56.200 . 1 1405 . 121 LYS HA H 4.140 . 1 1406 . 121 LYS CB C 31.000 . 1 1407 . 121 LYS HB2 H 1.890 . 1 1408 . 121 LYS HB3 H 1.890 . 1 1409 . 121 LYS CG C 23.500 . 1 1410 . 121 LYS HG2 H 1.570 . 1 1411 . 121 LYS HG3 H 1.510 . 1 1412 . 121 LYS CD C 26.900 . 1 1413 . 121 LYS HD2 H 1.740 . 1 1414 . 121 LYS HD3 H 1.740 . 1 1415 . 121 LYS CE C 40.300 . 1 1416 . 121 LYS HE2 H 3.040 . 1 1417 . 121 LYS HE3 H 3.040 . 1 1418 . 121 LYS C C 174.500 . 1 1419 . 122 ASN N N 116.170 . 1 1420 . 122 ASN H H 8.050 . 1 1421 . 122 ASN CA C 48.800 . 1 1422 . 122 ASN HA H 4.670 . 1 1423 . 122 ASN CB C 35.900 . 1 1424 . 122 ASN HB2 H 2.770 . 1 1425 . 122 ASN HB3 H 2.280 . 1 1426 . 122 ASN ND2 N 112.210 . 1 1427 . 122 ASN HD21 H 7.640 . 1 1428 . 122 ASN HD22 H 6.780 . 1 1429 . 123 PRO CD C 50.000 . 1 1430 . 123 PRO CA C 61.400 . 1 1431 . 123 PRO HA H 4.200 . 1 1432 . 123 PRO CB C 29.600 . 1 1433 . 123 PRO HB2 H 1.690 . 1 1434 . 123 PRO HB3 H 1.420 . 1 1435 . 123 PRO CG C 25.500 . 1 1436 . 123 PRO HG2 H 2.150 . 1 1437 . 123 PRO HG3 H 2.150 . 1 1438 . 123 PRO HD2 H 3.950 . 1 1439 . 123 PRO HD3 H 3.820 . 1 1440 . 123 PRO C C 172.600 . 1 1441 . 124 GLY N N 109.013 . 1 1442 . 124 GLY H H 8.029 . 1 1443 . 124 GLY CA C 42.400 . 1 1444 . 124 GLY HA2 H 3.150 . 1 1445 . 124 GLY HA3 H 2.720 . 1 1446 . 124 GLY C C 171.000 . 1 1447 . 125 PHE N N 127.776 . 1 1448 . 125 PHE H H 9.160 . 1 1449 . 125 PHE CA C 55.100 . 1 1450 . 125 PHE HA H 4.410 . 1 1451 . 125 PHE CB C 36.200 . 1 1452 . 125 PHE HB2 H 3.090 . 1 1453 . 125 PHE HB3 H 2.510 . 1 1454 . 125 PHE CD1 C 126.600 . 1 1455 . 125 PHE HD1 H 7.080 . 1 1456 . 125 PHE CE1 C 130.900 . 1 1457 . 125 PHE HE1 H 6.780 . 1 1458 . 125 PHE CZ C 128.400 . 1 1459 . 125 PHE HZ H 7.120 . 1 1460 . 125 PHE CE2 C 130.900 . 1 1461 . 125 PHE HE2 H 6.780 . 1 1462 . 125 PHE CD2 C 126.600 . 1 1463 . 125 PHE HD2 H 7.080 . 1 1464 . 125 PHE C C 173.000 . 1 1465 . 126 ASN N N 124.953 . 1 1466 . 126 ASN H H 9.615 . 1 1467 . 126 ASN CA C 52.100 . 1 1468 . 126 ASN HA H 5.320 . 1 1469 . 126 ASN CB C 39.300 . 1 1470 . 126 ASN HB2 H 3.000 . 1 1471 . 126 ASN HB3 H 2.540 . 1 1472 . 126 ASN ND2 N 111.790 . 1 1473 . 126 ASN HD21 H 7.232 . 1 1474 . 126 ASN HD22 H 6.461 . 1 1475 . 126 ASN C C 173.000 . 1 1476 . 127 LEU N N 127.960 . 1 1477 . 127 LEU H H 9.345 . 1 1478 . 127 LEU CA C 52.100 . 1 1479 . 127 LEU HA H 4.900 . 1 1480 . 127 LEU CB C 41.600 . 1 1481 . 127 LEU HB2 H 2.190 . 1 1482 . 127 LEU HB3 H 1.190 . 1 1483 . 127 LEU CG C 26.000 . 1 1484 . 127 LEU HG H 1.420 . 1 1485 . 127 LEU HD1 H 0.850 . 1 1486 . 127 LEU HD2 H 0.780 . 1 1487 . 127 LEU CD1 C 22.100 . 1 1488 . 127 LEU CD2 C 25.300 . 1 1489 . 127 LEU C C 172.600 . 1 1490 . 128 ILE N N 130.597 . 1 1491 . 128 ILE H H 8.992 . 1 1492 . 128 ILE CA C 58.300 . 1 1493 . 128 ILE HA H 5.050 . 1 1494 . 128 ILE CB C 36.700 . 1 1495 . 128 ILE HB H 1.860 . 1 1496 . 128 ILE HG2 H 0.910 . 1 1497 . 128 ILE CG2 C 15.900 . 1 1498 . 128 ILE CG1 C 26.100 . 1 1499 . 128 ILE HG12 H 1.540 . 1 1500 . 128 ILE HG13 H 1.080 . 1 1501 . 128 ILE HD1 H 0.910 . 1 1502 . 128 ILE CD1 C 12.100 . 1 1503 . 128 ILE C C 174.600 . 1 1504 . 129 THR N N 120.290 . 1 1505 . 129 THR H H 7.830 . 1 1506 . 129 THR CA C 58.600 . 1 1507 . 129 THR HA H 4.900 . 1 1508 . 129 THR CB C 67.100 . 1 1509 . 129 THR HB H 4.080 . 1 1510 . 129 THR HG2 H 0.940 . 1 1511 . 129 THR CG2 C 16.530 . 1 1512 . 129 THR C C 170.700 . 1 1513 . 130 LYS N N 125.476 . 1 1514 . 130 LYS H H 8.471 . 1 1515 . 130 LYS CA C 53.800 . 1 1516 . 130 LYS HA H 5.350 . 1 1517 . 130 LYS CB C 32.900 . 1 1518 . 130 LYS HB2 H 1.850 . 1 1519 . 130 LYS HB3 H 1.720 . 1 1520 . 130 LYS CG C 24.000 . 1 1521 . 130 LYS HG2 H 1.580 . 1 1522 . 130 LYS HG3 H 1.330 . 1 1523 . 130 LYS CD C 27.800 . 1 1524 . 130 LYS HD2 H 1.680 . 1 1525 . 130 LYS HD3 H 1.680 . 1 1526 . 130 LYS CE C 40.000 . 1 1527 . 130 LYS HE2 H 2.950 . 1 1528 . 130 LYS HE3 H 2.950 . 1 1529 . 130 LYS C C 174.300 . 1 1530 . 131 VAL N N 121.876 . 1 1531 . 131 VAL H H 8.811 . 1 1532 . 131 VAL CA C 57.800 . 1 1533 . 131 VAL HA H 4.640 . 1 1534 . 131 VAL CB C 33.500 . 1 1535 . 131 VAL HB H 1.870 . 1 1536 . 131 VAL HG1 H 0.890 . 1 1537 . 131 VAL HG2 H 0.690 . 1 1538 . 131 VAL CG1 C 20.000 . 1 1539 . 131 VAL CG2 C 19.300 . 1 1540 . 131 VAL C C 171.900 . 1 1541 . 132 VAL N N 130.346 . 1 1542 . 132 VAL H H 8.861 . 1 1543 . 132 VAL CA C 60.000 . 1 1544 . 132 VAL HA H 4.720 . 1 1545 . 132 VAL CB C 29.700 . 1 1546 . 132 VAL HB H 1.943 . 1 1547 . 132 VAL HG1 H 0.920 . 1 1548 . 132 VAL HG2 H 0.840 . 1 1549 . 132 VAL CG1 C 18.700 . 1 1550 . 132 VAL CG2 C 18.600 . 1 1551 . 132 VAL C C 174.800 . 1 1552 . 133 ILE N N 124.198 . 1 1553 . 133 ILE H H 9.043 . 1 1554 . 133 ILE CA C 57.000 . 1 1555 . 133 ILE HA H 5.400 . 1 1556 . 133 ILE CB C 40.800 . 1 1557 . 133 ILE HB H 1.790 . 1 1558 . 133 ILE HG2 H 0.770 . 1 1559 . 133 ILE CG2 C 17.200 . 1 1560 . 133 ILE CG1 C 22.500 . 1 1561 . 133 ILE HG12 H 1.030 . 1 1562 . 133 ILE HG13 H 0.830 . 1 1563 . 133 ILE CD1 C 11.600 . 1 1564 . 133 ILE C C 172.300 . 1 1565 . 134 GLU N N 118.276 . 1 1566 . 134 GLU H H 8.471 . 1 1567 . 134 GLU CA C 52.200 . 1 1568 . 134 GLU HA H 4.790 . 1 1569 . 134 GLU CB C 32.000 . 1 1570 . 134 GLU HB2 H 1.920 . 1 1571 . 134 GLU HB3 H 1.920 . 1 1572 . 134 GLU CG C 34.000 . 1 1573 . 134 GLU HG2 H 2.190 . 1 1574 . 134 GLU HG3 H 2.190 . 1 1575 . 134 GLU C C 173.400 . 1 1576 . 135 LYS N N 126.760 . 1 1577 . 135 LYS H H 8.930 . 1 1578 . 135 LYS CA C 55.300 . 1 1579 . 135 LYS HA H 4.180 . 1 1580 . 135 LYS CB C 30.700 . 1 1581 . 135 LYS HB2 H 1.860 . 1 1582 . 135 LYS HB3 H 1.650 . 1 1583 . 135 LYS CG C 23.100 . 1 1584 . 135 LYS HG2 H 1.390 . 1 1585 . 135 LYS HG3 H 1.390 . 1 1586 . 135 LYS CD C 26.900 . 1 1587 . 135 LYS HD2 H 1.570 . 1 1588 . 135 LYS HD3 H 1.570 . 1 1589 . 135 LYS CE C 40.000 . 1 1590 . 135 LYS HE2 H 2.950 . 1 1591 . 135 LYS HE3 H 2.950 . 1 1592 . 135 LYS C C 174.800 . 1 1593 . 136 LYS N N 132.145 . 1 1594 . 136 LYS H H 7.990 . 1 1595 . 136 LYS CA C 57.000 . 1 1596 . 136 LYS HA H 3.930 . 1 1597 . 136 LYS CB C 31.727 . 1 1598 . 136 LYS HB2 H 1.670 . 1 1599 . 136 LYS HB3 H 1.400 . 1 1600 . 136 LYS CG C 24.500 . 1 1601 . 136 LYS HG2 H 1.200 . 1 1602 . 136 LYS HG3 H 1.200 . 1 1603 . 136 LYS CD C 27.600 . 1 1604 . 136 LYS HD2 H 1.470 . 1 1605 . 136 LYS HD3 H 1.470 . 1 1606 . 136 LYS CE C 40.000 . 1 1607 . 136 LYS HE2 H 2.810 . 1 1608 . 136 LYS HE3 H 2.760 . 1 stop_ save_