data_4110 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Resonance Assignment of the 20 KDa Double Stranded RNA Binding Domain of PKR ; _BMRB_accession_number 4110 _BMRB_flat_file_name bmr4110.str _Entry_type original _Submission_date 1998-02-19 _Accession_date 1998-02-20 _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 Nanduri Sambasivarao . . 2 Carpick Bruce . . 3 Yang Yan W. . 4 Williams Bryan R.G. . 5 Qin Jun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1013 "13C chemical shifts" 577 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1998-10-14 original author . stop_ _Original_release_date 1998-10-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Nanduri, S., Carpick, B., Yang, Y.W., Williams, B.R.G., and Qin, J. "1H, 13C, 15N Resonance Assignment of the 20 KDa Double Stranded RNA Binding Domain of PKR," J. Biomol. NMR 12, 349-351 (1998). ; _Citation_title ; 1H, 13C, 15N Resonance Assignment of the 20 KDa Double Stranded RNA Binding Domain of PKR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 98424558 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nanduri Sambasivarao . . 2 Carpick Bruce . . 3 Yang Yan W. . 4 Williams Bryan R.G. . 5 Qin Jun . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 12 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 349 _Page_last 351 _Year 1998 _Details . loop_ _Keyword 'dsRNA binding domain' NMR PKR 'resonance assignments' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; Delaglio, F., Grzesiek, S. Vuister, G. W., Zhu, G., Pfeifer, J. and Bax, A. J. Biomol NMR 6, 277-293 (1995). ; _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8520220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F . . 2 Grzesiek S . . 3 Vuister 'G W' W. . 4 Zhu G . . 5 Pfeifer J . . 6 Bax A . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 3 _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 277 _Page_last 293 _Year 1995 _Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; save_ ################################## # Molecular system description # ################################## save_system_dsRBD-PKR _Saveframe_category molecular_system _Mol_system_name 'double stranded RNA binding domain of PKR' _Abbreviation_common dsRBD-PKR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label dsRBD-PKR $dsRBD-PKR stop_ _System_molecular_weight 20000 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_dsRBD-PKR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'double stranded RNA binding domain of PKR' _Abbreviation_common dsRBD-PKR _Molecular_mass 20000 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; GSHMEMAGDLSAGFFMEELN TRYQKQGVVLKYQELPNSGP PHDRRFTFQVIIDGREFPEG EGRSKKEAKNAAAKLAVEIL NKEKKAVSPLLLTTTNSSEG LSMGNYIGLINRIAQKKRLT VNYEQCASGVHGPEGFHYKC KMGQKEYSIGTGSTKQEAKQ LAAKLAYLQILSEETGSGC ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 GLU 6 MET 7 ALA 8 GLY 9 ASP 10 LEU 11 SER 12 ALA 13 GLY 14 PHE 15 PHE 16 MET 17 GLU 18 GLU 19 LEU 20 ASN 21 THR 22 ARG 23 TYR 24 GLN 25 LYS 26 GLN 27 GLY 28 VAL 29 VAL 30 LEU 31 LYS 32 TYR 33 GLN 34 GLU 35 LEU 36 PRO 37 ASN 38 SER 39 GLY 40 PRO 41 PRO 42 HIS 43 ASP 44 ARG 45 ARG 46 PHE 47 THR 48 PHE 49 GLN 50 VAL 51 ILE 52 ILE 53 ASP 54 GLY 55 ARG 56 GLU 57 PHE 58 PRO 59 GLU 60 GLY 61 GLU 62 GLY 63 ARG 64 SER 65 LYS 66 LYS 67 GLU 68 ALA 69 LYS 70 ASN 71 ALA 72 ALA 73 ALA 74 LYS 75 LEU 76 ALA 77 VAL 78 GLU 79 ILE 80 LEU 81 ASN 82 LYS 83 GLU 84 LYS 85 LYS 86 ALA 87 VAL 88 SER 89 PRO 90 LEU 91 LEU 92 LEU 93 THR 94 THR 95 THR 96 ASN 97 SER 98 SER 99 GLU 100 GLY 101 LEU 102 SER 103 MET 104 GLY 105 ASN 106 TYR 107 ILE 108 GLY 109 LEU 110 ILE 111 ASN 112 ARG 113 ILE 114 ALA 115 GLN 116 LYS 117 LYS 118 ARG 119 LEU 120 THR 121 VAL 122 ASN 123 TYR 124 GLU 125 GLN 126 CYS 127 ALA 128 SER 129 GLY 130 VAL 131 HIS 132 GLY 133 PRO 134 GLU 135 GLY 136 PHE 137 HIS 138 TYR 139 LYS 140 CYS 141 LYS 142 MET 143 GLY 144 GLN 145 LYS 146 GLU 147 TYR 148 SER 149 ILE 150 GLY 151 THR 152 GLY 153 SER 154 THR 155 LYS 156 GLN 157 GLU 158 ALA 159 LYS 160 GLN 161 LEU 162 ALA 163 ALA 164 LYS 165 LEU 166 ALA 167 TYR 168 LEU 169 GLN 170 ILE 171 LEU 172 SER 173 GLU 174 GLU 175 THR 176 GLY 177 SER 178 GLY 179 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 1QU6 "Structure Of The Double-Stranded Rna-Binding Domain Of The Protein Kinase Pkr Reveals The Molecular Basis Of Its Dsrna-Mediated" 100.00 179 98.88 98.88 3.43e-125 DBJ BAF83344 "unnamed protein product [Homo sapiens]" 94.97 551 98.82 98.82 7.68e-114 DBJ BAG36554 "unnamed protein product [Homo sapiens]" 94.97 551 98.82 98.82 7.68e-114 GB AAA18253 "P1/eIF-2a protein kinase [Homo sapiens]" 94.97 551 98.82 98.82 7.68e-114 GB AAA36409 "p68 kinase [Homo sapiens]" 94.97 551 98.82 98.82 7.68e-114 GB AAC50768 "interferon-inducible RNA-dependent protein kinase [Homo sapiens]" 94.97 551 98.82 98.82 7.68e-114 GB AAF13156 "double stranded RNA activated protein kinase [Homo sapiens]" 94.97 551 97.65 97.65 2.52e-112 GB AAH07769 "EIF2AK2 protein, partial [Homo sapiens]" 94.97 384 98.82 98.82 4.09e-116 REF NP_001129123 "interferon-induced, double-stranded RNA-activated protein kinase isoform a [Homo sapiens]" 94.97 551 98.82 98.82 7.68e-114 REF NP_001129124 "interferon-induced, double-stranded RNA-activated protein kinase isoform b [Homo sapiens]" 95.53 510 98.25 98.25 1.22e-114 REF NP_001138509 "interferon-induced, double-stranded RNA-activated protein kinase [Pan troglodytes]" 94.97 552 97.06 98.24 4.94e-112 REF NP_001266110 "interferon-induced, double-stranded RNA-activated protein kinase [Pan paniscus]" 94.97 552 97.06 98.24 4.94e-112 REF NP_001266614 "eukaryotic translation initiation factor 2-alpha kinase 2 [Gorilla gorilla]" 94.97 551 97.06 98.24 1.18e-111 SP P19525 "RecName: Full=Interferon-induced, double-stranded RNA-activated protein kinase; AltName: Full=Eukaryotic translation initiation" 94.97 551 98.82 98.82 7.68e-114 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $dsRBD-PKR Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $dsRBD-PKR 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)plysS plasmid pET-15B 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 $dsRBD-PKR .9 mM [U-15N] NaCl 100 mM . 'sodium phosphate' 20 mM . DTT 1 mM . H2O 93 % . D2O 7 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dsRBD-PKR .9 mM [U-15N;U-13C] NaCl 100 mM . 'sodium phosphate' 20 mM . DTT 1 mM . H2O 93 % . D2O 7 % . stop_ save_ ############################ # Computer software used # ############################ save_software_nmrPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'used for all data processing' stop_ _Details . _Citation_label $citation_one save_ save_software_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Task 'analysis of processed spectra' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.05 n/a temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 'sodium acetate' C 13 methyl ppm 25.85 . . . . . H2O H 1 proton ppm 4.77 . . . . . 'ammonium chloride' N 15 ammonium ppm 78.98 . . . . . 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_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name dsRBD-PKR _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 . 4 MET H H 8.32 . 1 2 . 4 MET HA H 4.43 . 1 3 . 4 MET HB2 H 2.47 . 2 4 . 4 MET HB3 H 2.05 . 2 5 . 4 MET CA C 55.62 . 1 6 . 4 MET CB C 32.79 . 1 7 . 4 MET N N 124.05 . 1 8 . 5 GLU H H 8.44 . 1 9 . 5 GLU HA H 4.26 . 1 10 . 5 GLU HB2 H 1.96 . 1 11 . 5 GLU HB3 H 1.96 . 1 12 . 5 GLU HG2 H 2.27 . 1 13 . 5 GLU HG3 H 2.27 . 1 14 . 5 GLU CA C 56.67 . 1 15 . 5 GLU CB C 30.09 . 1 16 . 5 GLU CG C 36.24 . 1 17 . 5 GLU N N 124.8 . 1 18 . 6 MET H H 8.39 . 1 19 . 6 MET HA H 4.48 . 1 20 . 6 MET HB2 H 2.58 . 2 21 . 6 MET HB3 H 2.53 . 2 22 . 6 MET HG2 H 2.00 . 2 23 . 6 MET HG3 H 2.1 . 2 24 . 6 MET CA C 55.28 . 1 25 . 6 MET CB C 32.08 . 1 26 . 6 MET CG C 32.78 . 1 27 . 6 MET N N 123.86 . 1 28 . 7 ALA H H 8.3 . 1 29 . 7 ALA HA H 4.3 . 1 30 . 7 ALA HB H 1.39 . 1 31 . 7 ALA CA C 52.74 . 1 32 . 7 ALA CB C 19.24 . 1 33 . 7 ALA N N 127.54 . 1 34 . 8 GLY H H 8.31 . 1 35 . 8 GLY HA2 H 3.91 . 1 36 . 8 GLY HA3 H 3.91 . 1 37 . 8 GLY CA C 45.33 . 1 38 . 8 GLY N N 110.43 . 1 39 . 9 ASP H H 8.16 . 1 40 . 9 ASP HA H 4.54 . 1 41 . 9 ASP HB2 H 2.67 . 2 42 . 9 ASP HB3 H 2.63 . 2 43 . 9 ASP CA C 54.29 . 1 44 . 9 ASP CB C 41.03 . 1 45 . 9 ASP N N 122.76 . 1 46 . 10 LEU H H 8.27 . 1 47 . 10 LEU HA H 4.29 . 1 48 . 10 LEU HB2 H 1.6 . 2 49 . 10 LEU HB3 H 1.67 . 2 50 . 10 LEU HD1 H 0.87 . 2 51 . 10 LEU HD2 H 0.79 . 2 52 . 10 LEU CA C 55.53 . 1 53 . 10 LEU CB C 41.91 . 1 54 . 10 LEU CD1 C 24.94 . 2 55 . 10 LEU CD2 C 23.12 . 2 56 . 10 LEU N N 125.37 . 1 57 . 11 SER H H 8.23 . 1 58 . 11 SER HA H 4.29 . 1 59 . 11 SER HB2 H 3.9 . 1 60 . 11 SER HB3 H 3.9 . 1 61 . 11 SER CA C 58.98 . 1 62 . 11 SER CB C 63.69 . 1 63 . 11 SER N N 118.1 . 1 64 . 12 ALA H H 8.19 . 1 65 . 12 ALA HA H 4.28 . 1 66 . 12 ALA HB H 1.39 . 1 67 . 12 ALA CA C 53.01 . 1 68 . 12 ALA CB C 19.11 . 1 69 . 12 ALA N N 127.84 . 1 70 . 13 GLY H H 7.95 . 1 71 . 13 GLY HA2 H 3.85 . 2 72 . 13 GLY HA3 H 4.08 . 2 73 . 13 GLY CA C 45.38 . 1 74 . 13 GLY N N 108.75 . 1 75 . 14 PHE H H 8.02 . 1 76 . 14 PHE HA H 4.13 . 1 77 . 14 PHE HB2 H 2.59 . 2 78 . 14 PHE HB3 H 3.11 . 2 79 . 14 PHE HD1 H 6.84 . 1 80 . 14 PHE HD2 H 6.84 . 1 81 . 14 PHE HE1 H 6.84 . 1 82 . 14 PHE HE2 H 6.84 . 1 83 . 14 PHE HZ H 6.84 . 1 84 . 14 PHE CA C 61.29 . 1 85 . 14 PHE CB C 39.59 . 1 86 . 14 PHE CD1 C 132.13 . 2 87 . 14 PHE CD2 C 132.13 . 2 88 . 14 PHE CE1 C 132.13 . 2 89 . 14 PHE CE2 C 132.13 . 2 90 . 14 PHE CZ C 132.13 . 2 91 . 14 PHE N N 124.25 . 1 92 . 15 PHE H H 8.33 . 1 93 . 15 PHE HA H 3.99 . 1 94 . 15 PHE HB2 H 3.1 . 2 95 . 15 PHE HB3 H 2.8 . 2 96 . 15 PHE HD1 H 7.37 . 1 97 . 15 PHE HD2 H 7.37 . 1 98 . 15 PHE HE1 H 7.37 . 1 99 . 15 PHE HE2 H 7.37 . 1 100 . 15 PHE HZ H 7.37 . 1 101 . 15 PHE CA C 62.33 . 1 102 . 15 PHE CB C 38.34 . 1 103 . 15 PHE CD1 C 131.07 . 2 104 . 15 PHE CD2 C 131.07 . 2 105 . 15 PHE CE1 C 131.07 . 2 106 . 15 PHE CE2 C 131.07 . 2 107 . 15 PHE N N 118.73 . 1 108 . 16 MET H H 7.16 . 1 109 . 16 MET HA H 3.93 . 1 110 . 16 MET HB2 H 2.3 . 2 111 . 16 MET HB3 H 2.35 . 2 112 . 16 MET HG2 H 2.05 . 2 113 . 16 MET HG3 H 2.55 . 2 114 . 16 MET CA C 59.4 . 1 115 . 16 MET CB C 37.13 . 1 116 . 16 MET CG C 30.86 . 1 117 . 16 MET N N 121.4 . 1 118 . 17 GLU H H 8.04 . 1 119 . 17 GLU HA H 4.14 . 1 120 . 17 GLU HB2 H 1.97 . 1 121 . 17 GLU HB3 H 1.97 . 1 122 . 17 GLU HG2 H 2.23 . 1 123 . 17 GLU HG3 H 2.23 . 1 124 . 17 GLU CA C 59.06 . 1 125 . 17 GLU CB C 28.49 . 1 126 . 17 GLU CG C 35.82 . 1 127 . 17 GLU N N 123.79 . 1 128 . 18 GLU H H 7.91 . 1 129 . 18 GLU HA H 3.99 . 1 130 . 18 GLU HB2 H 1.99 . 1 131 . 18 GLU HB3 H 1.99 . 1 132 . 18 GLU HG2 H 1.83 . 1 133 . 18 GLU HG3 H 1.83 . 1 134 . 18 GLU CA C 59.11 . 1 135 . 18 GLU CB C 29.39 . 1 136 . 18 GLU CG C 35.82 . 1 137 . 18 GLU N N 123.38 . 1 138 . 19 LEU H H 7.94 . 1 139 . 19 LEU HA H 4.25 . 1 140 . 19 LEU HB2 H 1.78 . 1 141 . 19 LEU HB3 H 1.78 . 1 142 . 19 LEU HG H 1.61 . 1 143 . 19 LEU HD1 H 1.08 . 2 144 . 19 LEU HD2 H 1.18 . 2 145 . 19 LEU CA C 57.65 . 1 146 . 19 LEU CB C 41.14 . 1 147 . 19 LEU CG C 28.9 . 1 148 . 19 LEU CD1 C 23.99 . 2 149 . 19 LEU CD2 C 25.22 . 2 150 . 19 LEU N N 121.83 . 1 151 . 20 ASN H H 8.1 . 1 152 . 20 ASN HA H 4.51 . 1 153 . 20 ASN HB2 H 3.03 . 2 154 . 20 ASN HB3 H 2.9 . 2 155 . 20 ASN HD21 H 7.72 . 2 156 . 20 ASN HD22 H 6.9 . 2 157 . 20 ASN CA C 56.23 . 1 158 . 20 ASN CB C 38.23 . 1 159 . 20 ASN N N 121.99 . 1 160 . 20 ASN ND2 N 115.72 . 1 161 . 21 THR H H 8.31 . 1 162 . 21 THR HA H 3.98 . 1 163 . 21 THR HB H 4.3 . 1 164 . 21 THR HG2 H 1.26 . 1 165 . 21 THR CA C 66.62 . 1 166 . 21 THR CB C 68.38 . 1 167 . 21 THR CG2 C 21.68 . 1 168 . 21 THR N N 120.6 . 1 169 . 22 ARG H H 8.65 . 1 170 . 22 ARG HA H 3.85 . 1 171 . 22 ARG HB2 H 1.96 . 2 172 . 22 ARG HB3 H 2.11 . 2 173 . 22 ARG HG2 H 1.8 . 1 174 . 22 ARG HG3 H 1.8 . 1 175 . 22 ARG HD2 H 3.37 . 2 176 . 22 ARG HD3 H 3.25 . 2 177 . 22 ARG CA C 59.18 . 1 178 . 22 ARG CB C 28.79 . 1 179 . 22 ARG CG C 25.82 . 1 180 . 22 ARG CD C 43.74 . 1 181 . 22 ARG N N 121.39 . 1 182 . 23 TYR H H 7.96 . 1 183 . 23 TYR HA H 4.16 . 1 184 . 23 TYR HB2 H 3.16 . 1 185 . 23 TYR HB3 H 3.16 . 1 186 . 23 TYR HD1 H 6.92 . 1 187 . 23 TYR HD2 H 6.92 . 1 188 . 23 TYR HE1 H 6.76 . 1 189 . 23 TYR HE2 H 6.76 . 1 190 . 23 TYR CA C 61.67 . 1 191 . 23 TYR CB C 38.39 . 1 192 . 23 TYR CD1 C 131.84 . 1 193 . 23 TYR CD2 C 131.84 . 1 194 . 23 TYR CE1 C 118.13 . 1 195 . 23 TYR CE2 C 118.13 . 1 196 . 23 TYR N N 125.9 . 1 197 . 24 GLN H H 7.86 . 1 198 . 24 GLN HA H 4.07 . 1 199 . 24 GLN HB2 H 2.22 . 1 200 . 24 GLN HB3 H 2.22 . 1 201 . 24 GLN HG2 H 2.54 . 2 202 . 24 GLN HG3 H 2.35 . 2 203 . 24 GLN HE21 H 7.2 . 2 204 . 24 GLN HE22 H 6.89 . 2 205 . 24 GLN CA C 58.44 . 1 206 . 24 GLN CB C 27.17 . 1 207 . 24 GLN CG C 34.05 . 1 208 . 24 GLN N N 121.02 . 1 209 . 24 GLN NE2 N 114.06 . 1 210 . 25 LYS H H 8.16 . 1 211 . 25 LYS HA H 4.12 . 1 212 . 25 LYS HB2 H 1.89 . 2 213 . 25 LYS HB3 H 1.56 . 2 214 . 25 LYS HG2 H 1.56 . 1 215 . 25 LYS HG3 H 1.56 . 1 216 . 25 LYS HD2 H 1.64 . 1 217 . 25 LYS CA C 58.42 . 1 218 . 25 LYS CB C 32.81 . 1 219 . 25 LYS CG C 24.9 . 1 220 . 25 LYS CD C 28.82 . 1 221 . 25 LYS CE C 42.13 . 1 222 . 25 LYS N N 121.14 . 1 223 . 26 GLN H H 8.23 . 1 224 . 26 GLN HA H 4.24 . 1 225 . 26 GLN HB2 H 1.44 . 2 226 . 26 GLN HB3 H 1.96 . 2 227 . 26 GLN HG2 H 1.84 . 1 228 . 26 GLN HG3 H 1.84 . 1 229 . 26 GLN HE21 H 7.2 . 2 230 . 26 GLN HE22 H 6.79 . 2 231 . 26 GLN CA C 55.3 . 1 232 . 26 GLN CB C 29.64 . 1 233 . 26 GLN CG C 33.19 . 1 234 . 26 GLN N N 116.91 . 1 235 . 26 GLN NE2 N 113.8 . 1 236 . 27 GLY H H 7.91 . 1 237 . 27 GLY HA2 H 3.92 . 2 238 . 27 GLY HA3 H 3.91 . 2 239 . 27 GLY CA C 46.87 . 1 240 . 27 GLY N N 111.61 . 1 241 . 28 VAL H H 6.79 . 1 242 . 28 VAL HA H 4.69 . 1 243 . 28 VAL HB H 2.12 . 1 244 . 28 VAL HG1 H 0.83 . 2 245 . 28 VAL HG2 H 0.7 . 2 246 . 28 VAL CA C 59.05 . 1 247 . 28 VAL CB C 33.85 . 1 248 . 28 VAL CG1 C 21.43 . 2 249 . 28 VAL CG2 C 18.89 . 2 250 . 28 VAL N N 112.12 . 1 251 . 29 VAL H H 8.91 . 1 252 . 29 VAL HA H 4.07 . 1 253 . 29 VAL HB H 2.13 . 1 254 . 29 VAL HG1 H 1.02 . 2 255 . 29 VAL HG2 H 0.91 . 2 256 . 29 VAL CA C 62.89 . 1 257 . 29 VAL CB C 31.97 . 1 258 . 29 VAL CG1 C 21.26 . 2 259 . 29 VAL CG2 C 21.21 . 2 260 . 29 VAL N N 125.69 . 1 261 . 30 LEU H H 8.41 . 1 262 . 30 LEU HA H 5.22 . 1 263 . 30 LEU HB2 H 1.63 . 2 264 . 30 LEU HB3 H 1.21 . 2 265 . 30 LEU HG H 1.35 . 1 266 . 30 LEU HD1 H 0.7 . 1 267 . 30 LEU HD2 H 0.7 . 1 268 . 30 LEU CA C 53.75 . 1 269 . 30 LEU CB C 46.17 . 1 270 . 30 LEU CG C 27.61 . 1 271 . 30 LEU CD1 C 26.11 . 1 272 . 30 LEU CD2 C 26.11 . 1 273 . 30 LEU N N 133.2 . 1 274 . 31 LYS H H 9.13 . 1 275 . 31 LYS HA H 4.77 . 1 276 . 31 LYS HB2 H 1.85 . 2 277 . 31 LYS HB3 H 1.75 . 2 278 . 31 LYS HG2 H 1.33 . 1 279 . 31 LYS HG3 H 1.33 . 1 280 . 31 LYS HD2 H 1.7 . 1 281 . 31 LYS HD3 H 1.7 . 1 282 . 31 LYS HE2 H 2.94 . 1 283 . 31 LYS HE3 H 2.94 . 1 284 . 31 LYS CA C 54.62 . 1 285 . 31 LYS CB C 36.68 . 1 286 . 31 LYS CG C 24.56 . 1 287 . 31 LYS CD C 29.2 . 1 288 . 31 LYS CE C 42.1 . 1 289 . 31 LYS N N 128.92 . 1 290 . 32 TYR H H 8.82 . 1 291 . 32 TYR HA H 4.88 . 1 292 . 32 TYR HB2 H 2.63 . 2 293 . 32 TYR HB3 H 3.09 . 2 294 . 32 TYR HD1 H 6.84 . 1 295 . 32 TYR HD2 H 6.84 . 1 296 . 32 TYR HE1 H 6.65 . 1 297 . 32 TYR HE2 H 6.65 . 1 298 . 32 TYR CA C 57.66 . 1 299 . 32 TYR CB C 39.44 . 1 300 . 32 TYR CD1 C 131.87 . 1 301 . 32 TYR CD2 C 131.87 . 1 302 . 32 TYR CE1 C 118.08 . 1 303 . 32 TYR CE2 C 118.08 . 1 304 . 32 TYR N N 123.56 . 1 305 . 33 GLN H H 9.44 . 1 306 . 33 GLN HA H 4.69 . 1 307 . 33 GLN HB2 H 1.91 . 1 308 . 33 GLN HB3 H 1.91 . 1 309 . 33 GLN HG2 H 2.34 . 2 310 . 33 GLN HG3 H 2.11 . 2 311 . 33 GLN HE21 H 7.66 . 2 312 . 33 GLN HE22 H 6.93 . 2 313 . 33 GLN CA C 54.22 . 1 314 . 33 GLN CB C 31.43 . 1 315 . 33 GLN CG C 33.58 . 1 316 . 33 GLN N N 128.11 . 1 317 . 33 GLN NE2 N 116.01 . 1 318 . 34 GLU H H 8.88 . 1 319 . 34 GLU HA H 3.53 . 1 320 . 34 GLU HB2 H 1.53 . 2 321 . 34 GLU HB3 H 1.64 . 2 322 . 34 GLU HG2 H 2.23 . 1 323 . 34 GLU HG3 H 2.23 . 1 324 . 34 GLU CA C 56.2 . 1 325 . 34 GLU CB C 29.8 . 1 326 . 34 GLU CG C 36.27 . 1 327 . 34 GLU N N 133.09 . 1 328 . 35 LEU H H 8.24 . 1 329 . 35 LEU HA H 4.75 . 1 330 . 35 LEU HB2 H 1.57 . 2 331 . 35 LEU HB3 H 1.19 . 2 332 . 35 LEU HG H 1.62 . 1 333 . 35 LEU HD1 H 0.89 . 2 334 . 35 LEU HD2 H 0.8 . 2 335 . 35 LEU CA C 52.54 . 1 336 . 35 LEU CB C 41.29 . 1 337 . 35 LEU CG C 27.1 . 1 338 . 35 LEU CD1 C 24.88 . 2 339 . 35 LEU CD2 C 22.84 . 2 340 . 35 LEU N N 132.98 . 1 341 . 36 PRO HA H 4.31 . 1 342 . 36 PRO HB2 H 2.28 . 1 343 . 36 PRO HB3 H 2.28 . 1 344 . 36 PRO HG2 H 2.33 . 2 345 . 36 PRO HG3 H 1.94 . 2 346 . 36 PRO HD2 H 3.81 . 2 347 . 36 PRO HD3 H 3.89 . 2 348 . 36 PRO CA C 62.45 . 1 349 . 36 PRO CB C 31.79 . 1 350 . 36 PRO CG C 27.77 . 1 351 . 36 PRO CD C 50.53 . 1 352 . 37 ASN H H 8.57 . 1 353 . 37 ASN HA H 4.75 . 1 354 . 37 ASN HB2 H 2.59 . 2 355 . 37 ASN HB3 H 2.69 . 2 356 . 37 ASN CA C 53.21 . 1 357 . 37 ASN CB C 39.92 . 1 358 . 37 ASN N N 123.2 . 1 359 . 38 SER H H 8.57 . 1 360 . 38 SER HA H 4.67 . 1 361 . 38 SER HB2 H 3.73 . 2 362 . 38 SER HB3 H 3.83 . 2 363 . 38 SER CA C 57.29 . 1 364 . 38 SER CB C 65.15 . 1 365 . 38 SER N N 118.97 . 1 366 . 39 GLY H H 8.28 . 1 367 . 39 GLY HA2 H 4.32 . 2 368 . 39 GLY HA3 H 3.93 . 2 369 . 39 GLY CA C 44.24 . 1 370 . 39 GLY N N 111.61 . 1 371 . 41 PRO HA H 4.05 . 1 372 . 41 PRO HB2 H 2.34 . 2 373 . 41 PRO HB3 H 1.94 . 2 374 . 41 PRO HG2 H 2.15 . 2 375 . 41 PRO HG3 H 2.04 . 2 376 . 41 PRO HD2 H 3.83 . 2 377 . 41 PRO HD3 H 3.74 . 2 378 . 41 PRO CA C 65.27 . 1 379 . 41 PRO CB C 31.85 . 1 380 . 41 PRO CG C 27.67 . 1 381 . 41 PRO CD C 50.16 . 1 382 . 42 HIS H H 7.56 . 1 383 . 42 HIS HA H 4.65 . 1 384 . 42 HIS HB2 H 3.00 . 2 385 . 42 HIS HB3 H 3.33 . 2 386 . 42 HIS HD2 H 7.13 . 1 387 . 42 HIS CA C 55.82 . 1 388 . 42 HIS CB C 30.1 . 1 389 . 42 HIS CD2 C 119.19 . 1 390 . 42 HIS N N 113.67 . 1 391 . 43 ASP H H 7.66 . 1 392 . 43 ASP HA H 4.75 . 1 393 . 43 ASP HB2 H 2.2 . 2 394 . 43 ASP HB3 H 2.31 . 2 395 . 43 ASP CA C 53.24 . 1 396 . 43 ASP CB C 40.55 . 1 397 . 43 ASP N N 126.51 . 1 398 . 44 ARG H H 8.02 . 1 399 . 44 ARG HA H 4.28 . 1 400 . 44 ARG HB2 H 1.65 . 2 401 . 44 ARG HB3 H 1.52 . 2 402 . 44 ARG HG2 H 1.44 . 1 403 . 44 ARG HG3 H 1.44 . 1 404 . 44 ARG HD2 H 2.87 . 1 405 . 44 ARG HD3 H 2.87 . 1 406 . 44 ARG CA C 55.58 . 1 407 . 44 ARG CB C 30.49 . 1 408 . 44 ARG CG C 26.16 . 1 409 . 44 ARG CD C 43.22 . 1 410 . 44 ARG N N 123.8 . 1 411 . 45 ARG H H 8.65 . 1 412 . 45 ARG HA H 4.62 . 1 413 . 45 ARG HB2 H 1.73 . 2 414 . 45 ARG HB3 H 1.58 . 2 415 . 45 ARG HG2 H 1.51 . 2 416 . 45 ARG HG3 H 1.41 . 2 417 . 45 ARG HD2 H 3.04 . 1 418 . 45 ARG CA C 54.19 . 1 419 . 45 ARG CB C 32.27 . 1 420 . 45 ARG CG C 27.28 . 1 421 . 45 ARG CD C 43.05 . 1 422 . 45 ARG N N 124.26 . 1 423 . 46 PHE H H 8.63 . 1 424 . 46 PHE HA H 4.85 . 1 425 . 46 PHE HB2 H 2.55 . 2 426 . 46 PHE HB3 H 2.99 . 2 427 . 46 PHE HD1 H 7.1 . 1 428 . 46 PHE HD2 H 7.1 . 1 429 . 46 PHE HE1 H 7.4 . 1 430 . 46 PHE HE2 H 7.4 . 1 431 . 46 PHE CA C 57.23 . 1 432 . 46 PHE CB C 42.2 . 1 433 . 46 PHE CD1 C 131.83 . 1 434 . 46 PHE CD2 C 131.83 . 1 435 . 46 PHE CE1 C 131.91 . 1 436 . 46 PHE CE2 C 131.91 . 1 437 . 46 PHE N N 122.29 . 1 438 . 47 THR H H 9.05 . 1 439 . 47 THR HA H 5.5 . 1 440 . 47 THR HB H 3.75 . 1 441 . 47 THR HG2 H 1.17 . 1 442 . 47 THR CA C 61.39 . 1 443 . 47 THR CB C 70.62 . 1 444 . 47 THR CG2 C 22.88 . 1 445 . 47 THR N N 119.04 . 1 446 . 48 PHE H H 9.23 . 1 447 . 48 PHE HA H 5.61 . 1 448 . 48 PHE HB2 H 2.76 . 2 449 . 48 PHE HB3 H 2.71 . 2 450 . 48 PHE HD1 H 7.03 . 1 451 . 48 PHE HD2 H 7.03 . 1 452 . 48 PHE HE1 H 7.03 . 1 453 . 48 PHE HE2 H 7.03 . 1 454 . 48 PHE HZ H 7.03 . 1 455 . 48 PHE CA C 55.87 . 1 456 . 48 PHE CB C 46.4 . 1 457 . 48 PHE CD1 C 131.72 . 1 458 . 48 PHE CD2 C 131.72 . 1 459 . 48 PHE CE1 C 131.72 . 1 460 . 48 PHE CE2 C 131.72 . 1 461 . 48 PHE CZ C 131.72 . 1 462 . 48 PHE N N 126.79 . 1 463 . 49 GLN H H 9.09 . 1 464 . 49 GLN HA H 4.92 . 1 465 . 49 GLN HB2 H 1.94 . 1 466 . 49 GLN HB3 H 1.94 . 1 467 . 49 GLN HG2 H 2.22 . 2 468 . 49 GLN HG3 H 2.31 . 2 469 . 49 GLN HE21 H 7.76 . 2 470 . 49 GLN HE22 H 6.85 . 2 471 . 49 GLN CA C 54.54 . 1 472 . 49 GLN CB C 33.33 . 1 473 . 49 GLN CG C 34.1 . 1 474 . 49 GLN N N 118.11 . 1 475 . 49 GLN NE2 N 112.11 . 1 476 . 50 VAL H H 8.99 . 1 477 . 50 VAL HA H 4.3 . 1 478 . 50 VAL HB H 1.76 . 1 479 . 50 VAL HG1 H 0.44 . 1 480 . 50 VAL HG2 H 0.44 . 1 481 . 50 VAL CA C 62.1 . 1 482 . 50 VAL CB C 32.45 . 1 483 . 50 VAL CG1 C 22.18 . 1 484 . 50 VAL CG2 C 22.18 . 1 485 . 50 VAL N N 127.98 . 1 486 . 51 ILE H H 8.79 . 1 487 . 51 ILE HA H 5.28 . 1 488 . 51 ILE HB H 1.71 . 1 489 . 51 ILE HG12 H 1.52 . 2 490 . 51 ILE HG13 H 1.09 . 2 491 . 51 ILE HG2 H 0.69 . 1 492 . 51 ILE HD1 H 0.81 . 1 493 . 51 ILE CA C 59.31 . 1 494 . 51 ILE CB C 39.8 . 1 495 . 51 ILE CG1 C 27.61 . 1 496 . 51 ILE CG2 C 17.32 . 1 497 . 51 ILE CD1 C 13.47 . 1 498 . 51 ILE N N 128.93 . 1 499 . 52 ILE H H 8.85 . 1 500 . 52 ILE HA H 5.06 . 1 501 . 52 ILE HB H 1.95 . 1 502 . 52 ILE HG12 H 1.55 . 1 503 . 52 ILE HG13 H 1.55 . 1 504 . 52 ILE HG2 H 0.92 . 1 505 . 52 ILE HD1 H 0.48 . 1 506 . 52 ILE CA C 60.24 . 1 507 . 52 ILE CB C 40.07 . 1 508 . 52 ILE CG1 C 27.7 . 1 509 . 52 ILE CG2 C 17.76 . 1 510 . 52 ILE CD1 C 13.62 . 1 511 . 52 ILE N N 126.76 . 1 512 . 53 ASP H H 9.64 . 1 513 . 53 ASP HA H 4.41 . 1 514 . 53 ASP HB2 H 2.57 . 2 515 . 53 ASP HB3 H 3.12 . 2 516 . 53 ASP CA C 55.75 . 1 517 . 53 ASP CB C 40.00 . 1 518 . 53 ASP N N 133.8 . 1 519 . 54 GLY H H 8.31 . 1 520 . 54 GLY HA2 H 3.47 . 2 521 . 54 GLY HA3 H 4.2 . 2 522 . 54 GLY CA C 45.38 . 1 523 . 54 GLY N N 105.98 . 1 524 . 55 ARG H H 8.17 . 1 525 . 55 ARG HA H 4.31 . 1 526 . 55 ARG HB2 H 2.04 . 2 527 . 55 ARG HB3 H 1.7 . 2 528 . 55 ARG HG2 H 1.71 . 2 529 . 55 ARG HG3 H 1.4 . 2 530 . 55 ARG HD2 H 2.83 . 1 531 . 55 ARG HD3 H 2.83 . 1 532 . 55 ARG CA C 55.44 . 1 533 . 55 ARG CB C 31.45 . 1 534 . 55 ARG CG C 26.79 . 1 535 . 55 ARG CD C 43.73 . 1 536 . 55 ARG N N 126.44 . 1 537 . 56 GLU H H 8.53 . 1 538 . 56 GLU HA H 4.58 . 1 539 . 56 GLU HB2 H 1.88 . 2 540 . 56 GLU HB3 H 2.18 . 2 541 . 56 GLU HG2 H 2.22 . 1 542 . 56 GLU HG3 H 2.22 . 1 543 . 56 GLU CA C 56.31 . 1 544 . 56 GLU CB C 30.47 . 1 545 . 56 GLU CG C 36.14 . 1 546 . 56 GLU N N 128.59 . 1 547 . 57 PHE H H 8.53 . 1 548 . 57 PHE HA H 4.62 . 1 549 . 57 PHE HB2 H 2.95 . 2 550 . 57 PHE HB3 H 3.37 . 2 551 . 57 PHE HD1 H 7.31 . 1 552 . 57 PHE HD2 H 7.31 . 1 553 . 57 PHE HE1 H 7.77 . 1 554 . 57 PHE HE2 H 7.77 . 1 555 . 57 PHE CA C 57.49 . 1 556 . 57 PHE CB C 38.45 . 1 557 . 57 PHE CD1 C 131.00 . 1 558 . 57 PHE CD2 C 131.00 . 1 559 . 57 PHE N N 127.32 . 1 560 . 58 PRO HA H 4.38 . 1 561 . 58 PRO HB2 H 2.51 . 2 562 . 58 PRO HB3 H 1.92 . 2 563 . 58 PRO HG2 H 2.15 . 2 564 . 58 PRO HG3 H 2.03 . 2 565 . 58 PRO HD2 H 3.61 . 1 566 . 58 PRO HD3 H 3.61 . 1 567 . 58 PRO CA C 63.56 . 1 568 . 58 PRO CB C 32.55 . 1 569 . 58 PRO CG C 22.79 . 1 570 . 58 PRO CD C 51.52 . 1 571 . 59 GLU H H 8.76 . 1 572 . 59 GLU HA H 4.51 . 1 573 . 59 GLU HB2 H 1.86 . 1 574 . 59 GLU HB3 H 1.86 . 1 575 . 59 GLU HG2 H 2.17 . 1 576 . 59 GLU HG3 H 2.17 . 1 577 . 59 GLU CA C 56.6 . 1 578 . 59 GLU CB C 30.23 . 1 579 . 59 GLU CG C 35.56 . 1 580 . 59 GLU N N 121.7 . 1 581 . 60 GLY H H 9.45 . 1 582 . 60 GLY HA2 H 3.35 . 2 583 . 60 GLY HA3 H 4.71 . 2 584 . 60 GLY CA C 43.7 . 1 585 . 60 GLY N N 110.32 . 1 586 . 61 GLU H H 8.32 . 1 587 . 61 GLU HA H 6.05 . 1 588 . 61 GLU HB2 H 2.00 . 1 589 . 61 GLU HB3 H 2.00 . 1 590 . 61 GLU HG2 H 2.19 . 2 591 . 61 GLU HG3 H 2.33 . 2 592 . 61 GLU CA C 53.8 . 1 593 . 61 GLU CB C 34.52 . 1 594 . 61 GLU CG C 36.2 . 1 595 . 61 GLU N N 122.16 . 1 596 . 62 GLY H H 8.65 . 1 597 . 62 GLY HA2 H 4.57 . 2 598 . 62 GLY HA3 H 3.84 . 2 599 . 62 GLY CA C 45.22 . 1 600 . 62 GLY N N 107.08 . 1 601 . 63 ARG H H 9.29 . 1 602 . 63 ARG HA H 4.6 . 1 603 . 63 ARG HB2 H 2.19 . 2 604 . 63 ARG HB3 H 1.95 . 2 605 . 63 ARG HG2 H 1.78 . 1 606 . 63 ARG HG3 H 1.78 . 1 607 . 63 ARG HD2 H 3.31 . 1 608 . 63 ARG HD3 H 3.31 . 1 609 . 63 ARG CA C 57.44 . 1 610 . 63 ARG CB C 30.35 . 1 611 . 63 ARG CG C 27.84 . 1 612 . 63 ARG CD C 43.17 . 1 613 . 63 ARG N N 121.85 . 1 614 . 64 SER H H 7.78 . 1 615 . 64 SER HA H 4.7 . 1 616 . 64 SER HB2 H 4.5 . 2 617 . 64 SER HB3 H 3.94 . 2 618 . 64 SER CA C 55.75 . 1 619 . 64 SER CB C 66.48 . 1 620 . 64 SER N N 113.32 . 1 621 . 65 LYS HA H 3.51 . 1 622 . 65 LYS HB2 H 1.4 . 2 623 . 65 LYS HB3 H 1.6 . 2 624 . 65 LYS HG2 H 1.56 . 1 625 . 65 LYS HG3 H 1.56 . 1 626 . 65 LYS HD2 H 1.53 . 1 627 . 65 LYS HD3 H 1.53 . 1 628 . 65 LYS HE2 H 2.88 . 1 629 . 65 LYS HE3 H 2.88 . 1 630 . 65 LYS CA C 61.44 . 1 631 . 65 LYS CB C 31.90 . 1 632 . 65 LYS CG C 24.93 . 1 633 . 65 LYS CD C 29.60 . 1 634 . 65 LYS CE C 43.17 . 1 635 . 66 LYS H H 8.25 . 1 636 . 66 LYS HA H 3.61 . 1 637 . 66 LYS HB2 H 1.61 . 2 638 . 66 LYS HB3 H 1.75 . 2 639 . 66 LYS HG2 H 1.28 . 1 640 . 66 LYS HG3 H 1.28 . 1 641 . 66 LYS HD2 H 1.58 . 1 642 . 66 LYS HD3 H 1.58 . 1 643 . 66 LYS HE2 H 2.85 . 1 644 . 66 LYS HE3 H 2.85 . 1 645 . 66 LYS CA C 59.78 . 1 646 . 66 LYS CB C 32.19 . 1 647 . 66 LYS CG C 24.91 . 1 648 . 66 LYS CD C 29.24 . 1 649 . 66 LYS CE C 41.9 . 1 650 . 66 LYS N N 120.57 . 1 651 . 67 GLU H H 7.75 . 1 652 . 67 GLU HA H 4.11 . 1 653 . 67 GLU HB2 H 2.07 . 1 654 . 67 GLU HB3 H 2.07 . 1 655 . 67 GLU HG2 H 2.42 . 1 656 . 67 GLU HG3 H 2.42 . 1 657 . 67 GLU CA C 59.15 . 1 658 . 67 GLU CB C 30.89 . 1 659 . 67 GLU CG C 37.37 . 1 660 . 67 GLU N N 121.05 . 1 661 . 68 ALA H H 8.18 . 1 662 . 68 ALA HA H 3.92 . 1 663 . 68 ALA HB H 1.62 . 1 664 . 68 ALA CA C 55.39 . 1 665 . 68 ALA CB C 19.98 . 1 666 . 68 ALA N N 124.79 . 1 667 . 69 LYS H H 8.04 . 1 668 . 69 LYS HA H 3.4 . 1 669 . 69 LYS HB2 H 1.16 . 2 670 . 69 LYS HB3 H 1.01 . 2 671 . 69 LYS HG2 H 0.4 . 2 672 . 69 LYS HG3 H 0.09 . 2 673 . 69 LYS HD2 H 0.92 . 1 674 . 69 LYS HD3 H 0.92 . 1 675 . 69 LYS HE2 H 2.00 . 2 676 . 69 LYS HE3 H 2.02 . 2 677 . 69 LYS CA C 60.9 . 1 678 . 69 LYS CB C 32.33 . 1 679 . 69 LYS CG C 26.07 . 1 680 . 69 LYS CD C 29.4 . 1 681 . 69 LYS CE C 41.58 . 1 682 . 69 LYS N N 120.12 . 1 683 . 70 ASN H H 8.01 . 1 684 . 70 ASN HA H 4.4 . 1 685 . 70 ASN HB2 H 2.92 . 2 686 . 70 ASN HB3 H 2.85 . 2 687 . 70 ASN HD21 H 7.76 . 2 688 . 70 ASN HD22 H 7.16 . 2 689 . 70 ASN CA C 56.96 . 1 690 . 70 ASN CB C 39.51 . 1 691 . 70 ASN N N 120.02 . 1 692 . 70 ASN ND2 N 116.88 . 1 693 . 71 ALA H H 8.33 . 1 694 . 71 ALA HA H 4.14 . 1 695 . 71 ALA HB H 1.68 . 1 696 . 71 ALA CA C 55.05 . 1 697 . 71 ALA CB C 18.62 . 1 698 . 71 ALA N N 125.42 . 1 699 . 72 ALA H H 8.54 . 1 700 . 72 ALA HA H 4.12 . 1 701 . 72 ALA HB H 1.71 . 1 702 . 72 ALA CA C 54.85 . 1 703 . 72 ALA CB C 18.07 . 1 704 . 72 ALA N N 124.46 . 1 705 . 73 ALA H H 8.78 . 1 706 . 73 ALA HA H 4.03 . 1 707 . 73 ALA HB H 1.58 . 1 708 . 73 ALA CA C 54.95 . 1 709 . 73 ALA CB C 18.08 . 1 710 . 73 ALA N N 124.5 . 1 711 . 74 LYS H H 8.27 . 1 712 . 74 LYS HA H 3.12 . 1 713 . 74 LYS HB2 H 1.14 . 2 714 . 74 LYS HB3 H 1.66 . 2 715 . 74 LYS HG2 H 1.13 . 1 716 . 74 LYS HG3 H 1.13 . 1 717 . 74 LYS HD2 H 1.35 . 1 718 . 74 LYS HD3 H 1.35 . 1 719 . 74 LYS HE2 H 2.84 . 1 720 . 74 LYS HE3 H 2.84 . 1 721 . 74 LYS CA C 59.83 . 1 722 . 74 LYS CB C 32.8 . 1 723 . 74 LYS CG C 24.46 . 1 724 . 74 LYS CD C 29.69 . 1 725 . 74 LYS CE C 42.56 . 1 726 . 74 LYS N N 122.9 . 1 727 . 75 LEU H H 7.31 . 1 728 . 75 LEU HA H 4.02 . 1 729 . 75 LEU HB2 H 1.96 . 2 730 . 75 LEU HB3 H 1.38 . 2 731 . 75 LEU HG H 1.79 . 1 732 . 75 LEU HD1 H 0.92 . 1 733 . 75 LEU HD2 H 0.92 . 1 734 . 75 LEU CA C 57.5 . 1 735 . 75 LEU CB C 42.06 . 1 736 . 75 LEU CG C 26.84 . 1 737 . 75 LEU CD1 C 23.01 . 1 738 . 75 LEU CD2 C 23.01 . 1 739 . 75 LEU N N 118.79 . 1 740 . 76 ALA H H 7.48 . 1 741 . 76 ALA HA H 4.00 . 1 742 . 76 ALA HB H 0.78 . 1 743 . 76 ALA CA C 55.01 . 1 744 . 76 ALA CB C 17.4 . 1 745 . 76 ALA N N 122.21 . 1 746 . 77 VAL H H 8.68 . 1 747 . 77 VAL HA H 3.23 . 1 748 . 77 VAL HB H 2.18 . 1 749 . 77 VAL HG1 H 1.06 . 2 750 . 77 VAL HG2 H 1.1 . 2 751 . 77 VAL CA C 66.81 . 1 752 . 77 VAL CB C 31.89 . 1 753 . 77 VAL CG1 C 24.48 . 2 754 . 77 VAL CG2 C 24.64 . 2 755 . 77 VAL N N 120.43 . 1 756 . 78 GLU H H 8.18 . 1 757 . 78 GLU HA H 4.00 . 1 758 . 78 GLU HB2 H 2.2 . 1 759 . 78 GLU HB3 H 2.2 . 1 760 . 78 GLU HG2 H 2.18 . 1 761 . 78 GLU HG3 H 2.18 . 1 762 . 78 GLU CA C 59.68 . 1 763 . 78 GLU CB C 29.49 . 1 764 . 78 GLU CG C 36.85 . 1 765 . 78 GLU N N 120.59 . 1 766 . 79 ILE H H 7.56 . 1 767 . 79 ILE HA H 3.78 . 1 768 . 79 ILE HB H 2.14 . 1 769 . 79 ILE HG12 H 1.33 . 2 770 . 79 ILE HG13 H 1.91 . 2 771 . 79 ILE HG2 H 1.05 . 1 772 . 79 ILE HD1 H 1.05 . 1 773 . 79 ILE CA C 65.06 . 1 774 . 79 ILE CB C 38.04 . 1 775 . 79 ILE CG1 C 29.86 . 2 776 . 79 ILE CG2 C 18.06 . 2 777 . 79 ILE CD1 C 14.03 . 1 778 . 79 ILE N N 123.22 . 1 779 . 80 LEU H H 8.67 . 1 780 . 80 LEU HA H 3.99 . 1 781 . 80 LEU HB2 H 1.06 . 2 782 . 80 LEU HB3 H 1.63 . 2 783 . 80 LEU HG H 1.56 . 1 784 . 80 LEU HD1 H -0.07 . 2 785 . 80 LEU HD2 H 0.79 . 2 786 . 80 LEU CA C 57.98 . 1 787 . 80 LEU CB C 41.32 . 1 788 . 80 LEU CG C 26.49 . 1 789 . 80 LEU CD1 C 24.57 . 2 790 . 80 LEU CD2 C 22.21 . 2 791 . 80 LEU N N 123.38 . 1 792 . 81 ASN H H 8.62 . 1 793 . 81 ASN HA H 4.53 . 1 794 . 81 ASN HB2 H 2.93 . 2 795 . 81 ASN HB3 H 2.79 . 2 796 . 81 ASN HD21 H 7.6 . 2 797 . 81 ASN HD22 H 7.06 . 2 798 . 81 ASN CA C 55.53 . 1 799 . 81 ASN CB C 38.14 . 1 800 . 81 ASN N N 114.47 . 1 801 . 82 LYS H H 7.81 . 1 802 . 82 LYS HA H 4.18 . 1 803 . 82 LYS HB2 H 2.06 . 1 804 . 82 LYS HB3 H 2.06 . 1 805 . 82 LYS HG2 H 1.59 . 1 806 . 82 LYS HG3 H 1.59 . 1 807 . 82 LYS HD2 H 1.7 . 1 808 . 82 LYS HD3 H 1.7 . 1 809 . 82 LYS HE2 H 3.03 . 1 810 . 82 LYS HE3 H 3.03 . 1 811 . 82 LYS CA C 58.89 . 1 812 . 82 LYS CB C 32.54 . 1 813 . 82 LYS CG C 25.00 . 1 814 . 82 LYS CD C 29.32 . 1 815 . 82 LYS CE C 42.11 . 1 816 . 82 LYS N N 123.93 . 1 817 . 83 GLU H H 8.13 . 1 818 . 83 GLU HA H 4.18 . 1 819 . 83 GLU HB2 H 2.1 . 1 820 . 83 GLU HB3 H 2.1 . 1 821 . 83 GLU HG2 H 2.66 . 1 822 . 83 GLU HG3 H 2.26 . 1 823 . 83 GLU CA C 57.68 . 1 824 . 83 GLU CB C 29.67 . 1 825 . 83 GLU CG C 36.74 . 1 826 . 83 GLU N N 121.09 . 1 827 . 84 LYS H H 7.77 . 1 828 . 84 LYS HA H 4.24 . 1 829 . 84 LYS HB2 H 1.98 . 1 830 . 84 LYS HB3 H 1.98 . 1 831 . 84 LYS HG2 H 1.55 . 1 832 . 84 LYS HG3 H 1.55 . 1 833 . 84 LYS HD2 H 1.75 . 1 834 . 84 LYS HD3 H 1.75 . 1 835 . 84 LYS HE2 H 3.05 . 1 836 . 84 LYS HE3 H 3.05 . 1 837 . 84 LYS CA C 57.4 . 1 838 . 84 LYS CB C 32.16 . 1 839 . 84 LYS CG C 24.87 . 1 840 . 84 LYS CD C 29.05 . 1 841 . 84 LYS CE C 42.14 . 1 842 . 84 LYS N N 121.6 . 1 843 . 85 LYS H H 7.95 . 1 844 . 85 LYS HA H 4.3 . 1 845 . 85 LYS HB2 H 1.81 . 1 846 . 85 LYS HB3 H 1.81 . 1 847 . 85 LYS HG2 H 1.49 . 2 848 . 85 LYS HG3 H 1.55 . 2 849 . 85 LYS HD2 H 1.74 . 1 850 . 85 LYS HD3 H 1.74 . 1 851 . 85 LYS HE2 H 3.03 . 1 852 . 85 LYS HE3 H 3.03 . 1 853 . 85 LYS CA C 56.52 . 1 854 . 85 LYS CB C 32.9 . 1 855 . 85 LYS CG C 24.95 . 1 856 . 85 LYS CD C 29.05 . 1 857 . 85 LYS CE C 42.14 . 1 858 . 85 LYS N N 122.58 . 1 859 . 86 ALA H H 7.99 . 1 860 . 86 ALA HA H 4.36 . 1 861 . 86 ALA HB H 1.41 . 1 862 . 86 ALA CA C 52.47 . 1 863 . 86 ALA CB C 19.23 . 1 864 . 86 ALA N N 126.17 . 1 865 . 87 VAL H H 8.00 . 1 866 . 87 VAL HA H 4.15 . 1 867 . 87 VAL HB H 2.09 . 1 868 . 87 VAL HG1 H 0.94 . 1 869 . 87 VAL HG2 H 0.94 . 1 870 . 87 VAL CA C 61.99 . 1 871 . 87 VAL CB C 32.87 . 1 872 . 87 VAL CG1 C 20.93 . 1 873 . 87 VAL CG2 C 20.93 . 1 874 . 87 VAL N N 121.05 . 1 875 . 88 SER H H 8.31 . 1 876 . 88 SER HA H 4.78 . 1 877 . 88 SER HB2 H 3.38 . 1 878 . 88 SER HB3 H 3.38 . 1 879 . 88 SER CA C 56.1 . 1 880 . 88 SER CB C 63.43 . 1 881 . 88 SER N N 122.74 . 1 882 . 89 PRO HA H 4.44 . 1 883 . 89 PRO HB2 H 1.92 . 2 884 . 89 PRO HB3 H 2.33 . 2 885 . 89 PRO HG2 H 2.03 . 1 886 . 89 PRO HG3 H 2.03 . 1 887 . 89 PRO HD2 H 3.79 . 2 888 . 89 PRO HD3 H 3.86 . 2 889 . 89 PRO CA C 63.52 . 1 890 . 89 PRO CB C 32.08 . 1 891 . 89 PRO CG C 27.27 . 1 892 . 89 PRO CD C 50.76 . 1 893 . 90 LEU H H 8.12 . 1 894 . 90 LEU HA H 4.28 . 1 895 . 90 LEU HB2 H 1.6 . 1 896 . 90 LEU HB3 H 1.6 . 1 897 . 90 LEU HG H 1.61 . 1 898 . 90 LEU HD1 H 0.91 . 2 899 . 90 LEU HD2 H 0.87 . 2 900 . 90 LEU CA C 55.46 . 1 901 . 90 LEU CB C 42.06 . 1 902 . 90 LEU CG C 27.27 . 1 903 . 90 LEU CD1 C 24.72 . 2 904 . 90 LEU CD2 C 23.61 . 2 905 . 90 LEU N N 123.08 . 1 906 . 91 LEU H H 8.02 . 1 907 . 91 LEU HA H 4.38 . 1 908 . 91 LEU HB2 H 1.62 . 1 909 . 91 LEU HB3 H 1.62 . 1 910 . 91 LEU HD1 H 0.9 . 2 911 . 91 LEU HD2 H 0.87 . 2 912 . 91 LEU CA C 55.02 . 1 913 . 91 LEU CB C 42.21 . 1 914 . 91 LEU CG C 24.95 . 1 915 . 91 LEU CD1 C 27.00 . 2 916 . 91 LEU CD2 C 23.5 . 2 917 . 91 LEU N N 124.33 . 1 918 . 92 LEU H H 8.08 . 1 919 . 92 LEU HA H 4.43 . 1 920 . 92 LEU HB2 H 1.68 . 1 921 . 92 LEU HB3 H 1.68 . 1 922 . 92 LEU HG H 1.63 . 1 923 . 92 LEU HD1 H 0.92 . 2 924 . 92 LEU HD2 H 0.87 . 2 925 . 92 LEU CA C 55.36 . 1 926 . 92 LEU CB C 42.52 . 1 927 . 92 LEU CG C 26.9 . 1 928 . 92 LEU CD1 C 25.00 . 2 929 . 92 LEU CD2 C 23.44 . 2 930 . 92 LEU N N 124.91 . 1 931 . 93 THR H H 8.09 . 1 932 . 93 THR HA H 4.44 . 1 933 . 93 THR HB H 4.3 . 1 934 . 93 THR HG2 H 1.21 . 1 935 . 93 THR CA C 61.69 . 1 936 . 93 THR CB C 69.84 . 1 937 . 93 THR CG2 C 21.55 . 1 938 . 93 THR N N 116.41 . 1 939 . 94 THR H H 8.13 . 1 940 . 94 THR HA H 4.45 . 1 941 . 94 THR HB H 4.3 . 1 942 . 94 THR HG2 H 1.21 . 1 943 . 94 THR CA C 61.64 . 1 944 . 94 THR CB C 69.56 . 1 945 . 94 THR CG2 C 21.58 . 1 946 . 94 THR N N 117.9 . 1 947 . 95 THR H H 8.16 . 1 948 . 95 THR HA H 4.36 . 1 949 . 95 THR HB H 4.24 . 1 950 . 95 THR HG2 H 1.19 . 1 951 . 95 THR CA C 61.94 . 1 952 . 95 THR CB C 69.74 . 1 953 . 95 THR CG2 C 21.51 . 1 954 . 95 THR N N 118.17 . 1 955 . 96 ASN H H 8.48 . 1 956 . 96 ASN HA H 4.77 . 1 957 . 96 ASN HB2 H 2.81 . 2 958 . 96 ASN HB3 H 2.86 . 2 959 . 96 ASN CA C 53.24 . 1 960 . 96 ASN CB C 38.91 . 1 961 . 96 ASN N N 123.6 . 1 962 . 97 SER H H 8.31 . 1 963 . 97 SER HA H 4.3 . 1 964 . 97 SER HB2 H 3.88 . 1 965 . 97 SER HB3 H 3.88 . 1 966 . 97 SER CA C 58.56 . 1 967 . 97 SER CB C 63.73 . 1 968 . 97 SER N N 119.21 . 1 969 . 98 SER H H 8.44 . 1 970 . 98 SER HA H 4.45 . 1 971 . 98 SER HB2 H 3.92 . 1 972 . 98 SER HB3 H 3.92 . 1 973 . 98 SER CA C 58.92 . 1 974 . 98 SER CB C 63.51 . 1 975 . 98 SER N N 120.33 . 1 976 . 99 GLU H H 8.32 . 1 977 . 99 GLU HA H 4.26 . 1 978 . 99 GLU HB2 H 1.96 . 2 979 . 99 GLU HB3 H 2.06 . 2 980 . 99 GLU CA C 56.98 . 1 981 . 99 GLU CB C 30.03 . 1 982 . 99 GLU N N 124.85 . 1 983 . 100 GLY H H 8.33 . 1 984 . 100 GLY HA2 H 3.93 . 1 985 . 100 GLY HA3 H 3.93 . 1 986 . 100 GLY CA C 45.5 . 1 987 . 100 GLY N N 111.74 . 1 988 . 101 LEU H H 8.02 . 1 989 . 101 LEU HA H 4.31 . 1 990 . 101 LEU HB2 H 0.92 . 2 991 . 101 LEU HB3 H 1.63 . 2 992 . 101 LEU HG H 1.6 . 1 993 . 101 LEU HD1 H 0.87 . 2 994 . 101 LEU HD2 H 0.79 . 2 995 . 101 LEU CA C 55.15 . 1 996 . 101 LEU CB C 42.22 . 1 997 . 101 LEU CG C 26.92 . 1 998 . 101 LEU CD1 C 24.92 . 2 999 . 101 LEU CD2 C 23.53 . 2 1000 . 101 LEU N N 124.25 . 1 1001 . 102 SER H H 8.31 . 1 1002 . 102 SER HA H 4.57 . 1 1003 . 102 SER HB2 H 3.87 . 1 1004 . 102 SER HB3 H 3.87 . 1 1005 . 102 SER CA C 58.43 . 1 1006 . 102 SER CB C 63.48 . 1 1007 . 102 SER N N 119.21 . 1 1008 . 103 MET HA H 4.42 . 1 1009 . 103 MET HB2 H 2.62 . 1 1010 . 103 MET HB3 H 2.62 . 1 1011 . 103 MET HG2 H 2.09 . 1 1012 . 103 MET HG3 H 2.09 . 1 1013 . 103 MET CA C 56.00 . 1 1014 . 103 MET CB C 32.15 . 1 1015 . 103 MET CG C 32.59 . 1 1016 . 104 GLY H H 8.14 . 1 1017 . 104 GLY HA2 H 3.72 . 1 1018 . 104 GLY HA3 H 3.72 . 1 1019 . 104 GLY CA C 45.38 . 1 1020 . 104 GLY N N 109.85 . 1 1021 . 105 ASN H H 7.89 . 1 1022 . 105 ASN HA H 4.74 . 1 1023 . 105 ASN HB2 H 2.88 . 2 1024 . 105 ASN HB3 H 2.81 . 2 1025 . 105 ASN HD21 H 8.64 . 2 1026 . 105 ASN HD22 H 7.61 . 2 1027 . 105 ASN CA C 52.01 . 1 1028 . 105 ASN CB C 37.15 . 1 1029 . 105 ASN N N 120.61 . 1 1030 . 106 TYR H H 7.83 . 1 1031 . 106 TYR HA H 3.81 . 1 1032 . 106 TYR HB2 H 3.07 . 2 1033 . 106 TYR HB3 H 2.73 . 2 1034 . 106 TYR HD1 H 6.94 . 1 1035 . 106 TYR HD2 H 6.94 . 1 1036 . 106 TYR CA C 62.66 . 1 1037 . 106 TYR CB C 38.18 . 1 1038 . 106 TYR CD1 C 132.87 . 1 1039 . 106 TYR CD2 C 118.15 . 1 1040 . 106 TYR N N 124.55 . 1 1041 . 107 ILE H H 8.41 . 1 1042 . 107 ILE HA H 3.61 . 1 1043 . 107 ILE HB H 1.74 . 1 1044 . 107 ILE HG12 H 1.49 . 1 1045 . 107 ILE HG13 H 1.49 . 1 1046 . 107 ILE HG2 H 0.84 . 1 1047 . 107 ILE HD1 H 0.55 . 1 1048 . 107 ILE CA C 65.05 . 1 1049 . 107 ILE CB C 38.19 . 1 1050 . 107 ILE CG1 C 29.39 . 1 1051 . 107 ILE CG2 C 16.24 . 1 1052 . 107 ILE CD1 C 13.08 . 1 1053 . 107 ILE N N 124.27 . 1 1054 . 108 GLY H H 7.65 . 1 1055 . 108 GLY HA2 H 3.81 . 1 1056 . 108 GLY HA3 H 3.81 . 1 1057 . 108 GLY CA C 47.28 . 1 1058 . 108 GLY N N 110.6 . 1 1059 . 109 LEU H H 7.6 . 1 1060 . 109 LEU HA H 3.98 . 1 1061 . 109 LEU HB2 H 1.48 . 2 1062 . 109 LEU HB3 H 1.27 . 2 1063 . 109 LEU HG H 1.41 . 1 1064 . 109 LEU HD1 H 0.24 . 2 1065 . 109 LEU HD2 H 0.62 . 2 1066 . 109 LEU CA C 58.11 . 1 1067 . 109 LEU CB C 41.73 . 1 1068 . 109 LEU CG C 26.09 . 1 1069 . 109 LEU CD1 C 24.32 . 2 1070 . 109 LEU CD2 C 23.2 . 2 1071 . 109 LEU N N 125.81 . 1 1072 . 110 ILE H H 8.43 . 1 1073 . 110 ILE HA H 3.96 . 1 1074 . 110 ILE HB H 2.32 . 1 1075 . 110 ILE HG12 H 1.77 . 2 1076 . 110 ILE HG13 H 1.65 . 2 1077 . 110 ILE HG2 H 0.94 . 1 1078 . 110 ILE HD1 H 0.78 . 1 1079 . 110 ILE CA C 61.53 . 1 1080 . 110 ILE CB C 35.39 . 1 1081 . 110 ILE CG1 C 28.06 . 1 1082 . 110 ILE CG2 C 18.52 . 1 1083 . 110 ILE CD1 C 9.93 . 1 1084 . 110 ILE N N 122.35 . 1 1085 . 111 ASN H H 7.92 . 1 1086 . 111 ASN HA H 4.49 . 1 1087 . 111 ASN HB2 H 2.95 . 2 1088 . 111 ASN HB3 H 2.9 . 2 1089 . 111 ASN CA C 56.34 . 1 1090 . 111 ASN CB C 38.14 . 1 1091 . 111 ASN N N 121.53 . 1 1092 . 112 ARG H H 7.82 . 1 1093 . 112 ARG HA H 4.15 . 1 1094 . 112 ARG HB2 H 1.73 . 2 1095 . 112 ARG HB3 H 2.04 . 2 1096 . 112 ARG HG2 H 1.87 . 2 1097 . 112 ARG HG3 H 1.73 . 2 1098 . 112 ARG HD2 H 3.23 . 1 1099 . 112 ARG HD3 H 3.23 . 1 1100 . 112 ARG CA C 59.69 . 1 1101 . 112 ARG CB C 30.17 . 1 1102 . 112 ARG CG C 27.32 . 1 1103 . 112 ARG CD C 43.31 . 1 1104 . 112 ARG N N 122.03 . 1 1105 . 113 ILE H H 7.99 . 1 1106 . 113 ILE HA H 3.72 . 1 1107 . 113 ILE HB H 1.94 . 1 1108 . 113 ILE HG12 H 1.22 . 2 1109 . 113 ILE HG13 H 1.9 . 2 1110 . 113 ILE HG2 H 0.92 . 1 1111 . 113 ILE HD1 H 0.93 . 1 1112 . 113 ILE CA C 65.07 . 1 1113 . 113 ILE CB C 38.01 . 1 1114 . 113 ILE CG1 C 29.29 . 1 1115 . 113 ILE CG2 C 17.21 . 1 1116 . 113 ILE CD1 C 13.62 . 1 1117 . 113 ILE N N 124.5 . 1 1118 . 114 ALA H H 8.72 . 1 1119 . 114 ALA HA H 3.91 . 1 1120 . 114 ALA HB H 1.49 . 1 1121 . 114 ALA CA C 55.85 . 1 1122 . 114 ALA CB C 18.29 . 1 1123 . 114 ALA N N 125.03 . 1 1124 . 115 GLN H H 8.1 . 1 1125 . 115 GLN HA H 4.18 . 1 1126 . 115 GLN HB2 H 2.2 . 1 1127 . 115 GLN HB3 H 2.2 . 1 1128 . 115 GLN HG2 H 2.43 . 2 1129 . 115 GLN HG3 H 2.62 . 2 1130 . 115 GLN HE21 H 7.45 . 2 1131 . 115 GLN HE22 H 6.84 . 2 1132 . 115 GLN CA C 58.81 . 1 1133 . 115 GLN CB C 28.29 . 1 1134 . 115 GLN CG C 33.99 . 1 1135 . 115 GLN N N 118.87 . 1 1136 . 115 GLN NE2 N 114.19 . 1 1137 . 116 LYS H H 7.79 . 1 1138 . 116 LYS HA H 4.1 . 1 1139 . 116 LYS HB2 H 2.07 . 1 1140 . 116 LYS HB3 H 2.07 . 1 1141 . 116 LYS HG2 H 1.55 . 1 1142 . 116 LYS HG3 H 1.55 . 1 1143 . 116 LYS HD2 H 1.62 . 1 1144 . 116 LYS HD3 H 1.62 . 1 1145 . 116 LYS HE2 H 3.00 . 1 1146 . 116 LYS HE3 H 3.00 . 1 1147 . 116 LYS CA C 58.98 . 1 1148 . 116 LYS CB C 32.16 . 1 1149 . 116 LYS CG C 24.97 . 1 1150 . 116 LYS CD C 29.1 . 1 1151 . 116 LYS CE C 42.04 . 1 1152 . 116 LYS N N 123.24 . 1 1153 . 117 LYS H H 7.97 . 1 1154 . 117 LYS HA H 4.2 . 1 1155 . 117 LYS HB2 H 1.63 . 2 1156 . 117 LYS HB3 H 2.00 . 2 1157 . 117 LYS HG2 H 1.64 . 2 1158 . 117 LYS HG3 H 1.49 . 2 1159 . 117 LYS HD2 H 1.62 . 1 1160 . 117 LYS HD3 H 1.62 . 1 1161 . 117 LYS HE2 H 2.9 . 1 1162 . 117 LYS HE3 H 2.9 . 1 1163 . 117 LYS CA C 56.8 . 1 1164 . 117 LYS CB C 33.71 . 1 1165 . 117 LYS CG C 26.16 . 1 1166 . 117 LYS CD C 29.74 . 1 1167 . 117 LYS CE C 42.56 . 1 1168 . 117 LYS N N 119.09 . 1 1169 . 118 ARG H H 7.89 . 1 1170 . 118 ARG HA H 3.93 . 1 1171 . 118 ARG HB2 H 2.16 . 2 1172 . 118 ARG HB3 H 1.96 . 2 1173 . 118 ARG HG2 H 1.64 . 1 1174 . 118 ARG HG3 H 1.64 . 1 1175 . 118 ARG HD2 H 3.26 . 1 1176 . 118 ARG HD3 H 3.26 . 1 1177 . 118 ARG CA C 56.82 . 1 1178 . 118 ARG CB C 26.44 . 1 1179 . 118 ARG CG C 27.54 . 1 1180 . 118 ARG CD C 43.5 . 1 1181 . 118 ARG N N 119.15 . 1 1182 . 119 LEU H H 8.24 . 1 1183 . 119 LEU HA H 4.88 . 1 1184 . 119 LEU HB2 H 1.44 . 2 1185 . 119 LEU HB3 H 1.4 . 2 1186 . 119 LEU HG H 0.86 . 1 1187 . 119 LEU HD1 H 0.97 . 1 1188 . 119 LEU HD2 H 0.97 . 1 1189 . 119 LEU CA C 52.7 . 1 1190 . 119 LEU CB C 46.3 . 1 1191 . 119 LEU CG C 26.31 . 1 1192 . 119 LEU CD1 C 22.71 . 1 1193 . 119 LEU CD2 C 22.71 . 1 1194 . 119 LEU N N 120.63 . 1 1195 . 120 THR H H 8.15 . 1 1196 . 120 THR HA H 4.39 . 1 1197 . 120 THR HB H 4.13 . 1 1198 . 120 THR HG2 H 1.22 . 1 1199 . 120 THR CA C 61.41 . 1 1200 . 120 THR CB C 70.2 . 1 1201 . 120 THR CG2 C 21.88 . 1 1202 . 120 THR N N 116.23 . 1 1203 . 121 VAL H H 8.54 . 1 1204 . 121 VAL HA H 4.97 . 1 1205 . 121 VAL HB H 1.83 . 1 1206 . 121 VAL HG1 H 0.75 . 1 1207 . 121 VAL HG2 H 0.75 . 1 1208 . 121 VAL CA C 60.37 . 1 1209 . 121 VAL CB C 34.26 . 1 1210 . 121 VAL CG1 C 22.63 . 2 1211 . 121 VAL CG2 C 20.77 . 2 1212 . 121 VAL N N 125.65 . 1 1213 . 122 ASN H H 8.84 . 1 1214 . 122 ASN HA H 4.99 . 1 1215 . 122 ASN HB2 H 2.58 . 2 1216 . 122 ASN HB3 H 2.7 . 2 1217 . 122 ASN CA C 52.16 . 1 1218 . 122 ASN CB C 43.21 . 1 1219 . 122 ASN N N 127.82 . 1 1220 . 123 TYR H H 8.69 . 1 1221 . 123 TYR HA H 5.11 . 1 1222 . 123 TYR HB2 H 2.56 . 2 1223 . 123 TYR HB3 H 2.83 . 2 1224 . 123 TYR HD1 H 6.84 . 1 1225 . 123 TYR HD2 H 6.84 . 1 1226 . 123 TYR HE1 H 6.7 . 1 1227 . 123 TYR HE2 H 6.7 . 1 1228 . 123 TYR CA C 57.5 . 1 1229 . 123 TYR CB C 39.65 . 1 1230 . 123 TYR CD1 C 132.11 . 1 1231 . 123 TYR CD2 C 132.11 . 1 1232 . 123 TYR CE1 C 117.71 . 1 1233 . 123 TYR CE2 C 117.71 . 1 1234 . 123 TYR N N 122.73 . 1 1235 . 124 GLU H H 9.14 . 1 1236 . 124 GLU HA H 4.69 . 1 1237 . 124 GLU HB2 H 1.86 . 2 1238 . 124 GLU HB3 H 1.95 . 2 1239 . 124 GLU HG2 H 2.23 . 2 1240 . 124 GLU HG3 H 2.13 . 2 1241 . 124 GLU CA C 54.84 . 1 1242 . 124 GLU CB C 32.16 . 1 1243 . 124 GLU CG C 35.89 . 1 1244 . 124 GLU N N 128.34 . 1 1245 . 125 GLN H H 9.08 . 1 1246 . 125 GLN HA H 3.99 . 1 1247 . 125 GLN HB2 H 1.8 . 1 1248 . 125 GLN HB3 H 1.8 . 1 1249 . 125 GLN HG2 H 2.22 . 2 1250 . 125 GLN HG3 H 2.14 . 2 1251 . 125 GLN HE21 H 7.89 . 2 1252 . 125 GLN HE22 H 7.04 . 2 1253 . 125 GLN CA C 55.99 . 1 1254 . 125 GLN CB C 28.26 . 1 1255 . 125 GLN CG C 33.78 . 1 1256 . 125 GLN N N 131.48 . 1 1257 . 125 GLN NE2 N 112.09 . 1 1258 . 126 CYS H H 8.58 . 1 1259 . 126 CYS HA H 4.83 . 1 1260 . 126 CYS HB2 H 2.99 . 2 1261 . 126 CYS HB3 H 2.63 . 2 1262 . 126 CYS CA C 56.91 . 1 1263 . 126 CYS CB C 30.24 . 1 1264 . 126 CYS N N 126.62 . 1 1265 . 127 ALA HA H 4.3 . 1 1266 . 127 ALA HB H 1.4 . 1 1267 . 127 ALA CA C 53.43 . 1 1268 . 127 ALA CB C 19.33 . 1 1269 . 128 SER H H 7.44 . 1 1270 . 128 SER HA H 3.64 . 1 1271 . 128 SER HB2 H 3.36 . 2 1272 . 128 SER HB3 H 3.43 . 2 1273 . 128 SER CA C 56.81 . 1 1274 . 128 SER CB C 64.41 . 1 1275 . 128 SER N N 112.28 . 1 1276 . 129 GLY H H 6.88 . 1 1277 . 129 GLY HA2 H 3.61 . 2 1278 . 129 GLY HA3 H 4.21 . 2 1279 . 129 GLY CA C 43.86 . 1 1280 . 129 GLY N N 110.88 . 1 1281 . 130 VAL H H 8.76 . 1 1282 . 130 VAL HA H 3.77 . 1 1283 . 130 VAL HB H 1.88 . 1 1284 . 130 VAL HG1 H 0.66 . 2 1285 . 130 VAL HG2 H 0.81 . 2 1286 . 130 VAL CA C 64.5 . 1 1287 . 130 VAL CB C 31.8 . 1 1288 . 130 VAL CG1 C 20.65 . 2 1289 . 130 VAL CG2 C 20.65 . 2 1290 . 130 VAL N N 121.7 . 1 1291 . 131 HIS H H 8.63 . 1 1292 . 131 HIS HA H 4.86 . 1 1293 . 131 HIS HB2 H 3.38 . 2 1294 . 131 HIS HB3 H 3.00 . 2 1295 . 131 HIS HD2 H 7.13 . 1 1296 . 131 HIS HE1 H 7.82 . 1 1297 . 131 HIS CA C 55.12 . 1 1298 . 131 HIS CB C 29.75 . 1 1299 . 131 HIS CD2 C 119.19 . 1 1300 . 131 HIS N N 119.6 . 1 1301 . 132 GLY H H 7.37 . 1 1302 . 132 GLY HA2 H 4.65 . 2 1303 . 132 GLY HA3 H 3.82 . 2 1304 . 132 GLY CA C 44.63 . 1 1305 . 132 GLY N N 110.25 . 1 1306 . 133 PRO HA H 4.43 . 1 1307 . 133 PRO HB2 H 2.05 . 2 1308 . 133 PRO HB3 H 1.95 . 2 1309 . 133 PRO HG2 H 2.00 . 1 1310 . 133 PRO HG3 H 2.00 . 1 1311 . 133 PRO HD2 H 3.85 . 2 1312 . 133 PRO HD3 H 3.54 . 2 1313 . 133 PRO CA C 64.18 . 1 1314 . 133 PRO CB C 32.63 . 1 1315 . 133 PRO CG C 26.39 . 1 1316 . 133 PRO CD C 47.82 . 1 1317 . 134 GLU H H 8.63 . 1 1318 . 134 GLU HA H 4.08 . 1 1319 . 134 GLU HB2 H 1.93 . 1 1320 . 134 GLU HB3 H 1.93 . 1 1321 . 134 GLU HG2 H 2.29 . 1 1322 . 134 GLU HG3 H 2.29 . 1 1323 . 134 GLU CA C 58.82 . 1 1324 . 134 GLU CB C 29.39 . 1 1325 . 134 GLU CG C 36.43 . 1 1326 . 134 GLU N N 126.08 . 1 1327 . 135 GLY H H 8.1 . 1 1328 . 135 GLY HA2 H 4.06 . 2 1329 . 135 GLY HA3 H 3.49 . 2 1330 . 135 GLY CA C 43.51 . 1 1331 . 135 GLY N N 113.4 . 1 1332 . 136 PHE H H 8.31 . 1 1333 . 136 PHE HA H 4.31 . 1 1334 . 136 PHE HB2 H 2.42 . 2 1335 . 136 PHE HB3 H 2.74 . 2 1336 . 136 PHE HD1 H 6.93 . 1 1337 . 136 PHE HD2 H 6.93 . 1 1338 . 136 PHE HE1 H 7.41 . 1 1339 . 136 PHE HE2 H 7.41 . 1 1340 . 136 PHE CA C 56.79 . 1 1341 . 136 PHE CB C 42.37 . 1 1342 . 136 PHE CD1 C 131.23 . 1 1343 . 136 PHE CD2 C 131.23 . 1 1344 . 136 PHE CE1 C 131.51 . 1 1345 . 136 PHE CE2 C 131.51 . 1 1346 . 136 PHE N N 119.21 . 1 1347 . 137 HIS H H 8.39 . 1 1348 . 137 HIS HA H 5.89 . 1 1349 . 137 HIS HB2 H 2.79 . 2 1350 . 137 HIS HB3 H 2.48 . 2 1351 . 137 HIS HD2 H 6.63 . 1 1352 . 137 HIS CA C 54.14 . 1 1353 . 137 HIS CB C 33.04 . 1 1354 . 137 HIS N N 121.5 . 1 1355 . 138 TYR H H 9.29 . 1 1356 . 138 TYR HA H 5.62 . 1 1357 . 138 TYR HB2 H 2.6 . 2 1358 . 138 TYR HB3 H 2.71 . 2 1359 . 138 TYR HD1 H 6.84 . 1 1360 . 138 TYR HD2 H 6.84 . 1 1361 . 138 TYR HE1 H 6.66 . 1 1362 . 138 TYR HE2 H 6.66 . 1 1363 . 138 TYR CA C 56.95 . 1 1364 . 138 TYR CB C 45.25 . 1 1365 . 138 TYR CD1 C 132.05 . 1 1366 . 138 TYR CD2 C 132.05 . 1 1367 . 138 TYR CE1 C 117.66 . 1 1368 . 138 TYR CE2 C 117.66 . 1 1369 . 138 TYR N N 124.72 . 1 1370 . 139 LYS H H 8.92 . 1 1371 . 139 LYS HA H 5.08 . 1 1372 . 139 LYS HB2 H 1.63 . 2 1373 . 139 LYS HB3 H 1.84 . 2 1374 . 139 LYS HG2 H 1.33 . 1 1375 . 139 LYS HG3 H 1.33 . 1 1376 . 139 LYS HD2 H 1.62 . 2 1377 . 139 LYS HD3 H 1.56 . 2 1378 . 139 LYS HE2 H 2.84 . 1 1379 . 139 LYS HE3 H 2.84 . 1 1380 . 139 LYS CA C 54.19 . 1 1381 . 139 LYS CB C 36.21 . 1 1382 . 139 LYS CG C 24.15 . 1 1383 . 139 LYS CD C 29.7 . 1 1384 . 139 LYS CE C 41.95 . 1 1385 . 139 LYS N N 119.25 . 1 1386 . 140 CYS H H 9.67 . 1 1387 . 140 CYS HA H 4.27 . 1 1388 . 140 CYS HB2 H 2.77 . 2 1389 . 140 CYS HB3 H 2.55 . 2 1390 . 140 CYS CA C 58.98 . 1 1391 . 140 CYS CB C 28.66 . 1 1392 . 140 CYS N N 127.64 . 1 1393 . 141 LYS H H 8.81 . 1 1394 . 141 LYS HA H 5.26 . 1 1395 . 141 LYS HB2 H 1.64 . 2 1396 . 141 LYS HB3 H 1.81 . 2 1397 . 141 LYS HG2 H 1.88 . 1 1398 . 141 LYS HG3 H 1.88 . 1 1399 . 141 LYS HD2 H 1.59 . 1 1400 . 141 LYS HD3 H 1.59 . 1 1401 . 141 LYS HE2 H 2.93 . 2 1402 . 141 LYS HE3 H 2.82 . 2 1403 . 141 LYS CA C 54.71 . 1 1404 . 141 LYS CB C 34.93 . 1 1405 . 141 LYS CG C 24.78 . 1 1406 . 141 LYS CD C 29.64 . 1 1407 . 141 LYS CE C 42.00 . 1 1408 . 141 LYS N N 131.71 . 1 1409 . 142 MET H H 8.67 . 1 1410 . 142 MET HA H 5.2 . 1 1411 . 142 MET HB2 H 1.86 . 1 1412 . 142 MET HB3 H 1.86 . 1 1413 . 142 MET HG2 H 2.31 . 1 1414 . 142 MET HG3 H 2.31 . 1 1415 . 142 MET CA C 53.97 . 1 1416 . 142 MET CB C 35.80 . 1 1417 . 142 MET CG C 31.56 . 1 1418 . 142 MET N N 127.72 . 1 1419 . 143 GLY H H 9.1 . 1 1420 . 143 GLY HA2 H 3.95 . 1 1421 . 143 GLY HA3 H 3.95 . 1 1422 . 143 GLY CA C 47.34 . 1 1423 . 143 GLY N N 119.59 . 1 1424 . 144 GLN HA H 4.33 . 1 1425 . 144 GLN HB2 H 1.85 . 1 1426 . 144 GLN HB3 H 1.85 . 1 1427 . 144 GLN HG2 H 2.39 . 1 1428 . 144 GLN HG3 H 2.39 . 1 1429 . 144 GLN CA C 55.56 . 1 1430 . 144 GLN CB C 29.17 . 1 1431 . 144 GLN CG C 34.07 . 1 1432 . 145 LYS H H 7.85 . 1 1433 . 145 LYS HA H 4.3 . 1 1434 . 145 LYS HB2 H 1.78 . 2 1435 . 145 LYS HB3 H 1.65 . 2 1436 . 145 LYS HG2 H 1.18 . 2 1437 . 145 LYS HG3 H 1.1 . 2 1438 . 145 LYS HD2 H 1.64 . 1 1439 . 145 LYS HD3 H 1.64 . 1 1440 . 145 LYS HE2 H 2.83 . 1 1441 . 145 LYS HE3 H 2.83 . 1 1442 . 145 LYS CA C 55.68 . 1 1443 . 145 LYS CB C 34.2 . 1 1444 . 145 LYS CG C 24.77 . 1 1445 . 145 LYS CD C 28.78 . 1 1446 . 145 LYS CE C 42.01 . 1 1447 . 145 LYS N N 124.14 . 1 1448 . 146 GLU H H 8.12 . 1 1449 . 146 GLU HA H 4.83 . 1 1450 . 146 GLU HB2 H 1.85 . 1 1451 . 146 GLU HB3 H 1.85 . 1 1452 . 146 GLU HG2 H 2.12 . 2 1453 . 146 GLU HG3 H 2.05 . 2 1454 . 146 GLU CA C 54.46 . 1 1455 . 146 GLU CB C 32.51 . 1 1456 . 146 GLU CG C 36.32 . 1 1457 . 146 GLU N N 124.27 . 1 1458 . 147 TYR H H 8.2 . 1 1459 . 147 TYR HA H 4.63 . 1 1460 . 147 TYR HB2 H 3.23 . 2 1461 . 147 TYR HB3 H 3.34 . 2 1462 . 147 TYR HD1 H 7.07 . 1 1463 . 147 TYR HD2 H 7.07 . 1 1464 . 147 TYR HE1 H 6.57 . 1 1465 . 147 TYR HE2 H 6.57 . 1 1466 . 147 TYR CA C 58.32 . 1 1467 . 147 TYR CB C 39.37 . 1 1468 . 147 TYR CD1 C 132.65 . 1 1469 . 147 TYR CD2 C 132.65 . 1 1470 . 147 TYR CE1 C 117.02 . 1 1471 . 147 TYR CE2 C 117.02 . 1 1472 . 147 TYR N N 125.33 . 1 1473 . 148 SER H H 8.18 . 1 1474 . 148 SER HA H 4.37 . 1 1475 . 148 SER HB2 H 3.85 . 2 1476 . 148 SER HB3 H 4.05 . 2 1477 . 148 SER CA C 60.00 . 1 1478 . 148 SER CB C 64.68 . 1 1479 . 148 SER N N 115.45 . 1 1480 . 149 ILE H H 8.25 . 1 1481 . 149 ILE HA H 4.26 . 1 1482 . 149 ILE HB H 1.69 . 1 1483 . 149 ILE HG12 H 1.78 . 1 1484 . 149 ILE HG13 H 1.78 . 1 1485 . 149 ILE HG2 H 0.94 . 1 1486 . 149 ILE HD1 H 0.93 . 1 1487 . 149 ILE CA C 62.34 . 1 1488 . 149 ILE CB C 39.63 . 1 1489 . 149 ILE CG1 C 29.1 . 1 1490 . 149 ILE CG2 C 18.68 . 1 1491 . 149 ILE CD1 C 14.15 . 1 1492 . 149 ILE N N 122.53 . 1 1493 . 150 GLY H H 9.85 . 1 1494 . 150 GLY HA2 H 4.64 . 2 1495 . 150 GLY HA3 H 3.41 . 2 1496 . 150 GLY CA C 44.48 . 1 1497 . 150 GLY N N 119.51 . 1 1498 . 151 THR H H 8.11 . 1 1499 . 151 THR HA H 5.94 . 1 1500 . 151 THR HB H 3.92 . 1 1501 . 151 THR HG2 H 1.38 . 1 1502 . 151 THR CA C 61.32 . 1 1503 . 151 THR CB C 71.43 . 1 1504 . 151 THR CG2 C 22.27 . 1 1505 . 151 THR N N 124.09 . 1 1506 . 152 GLY H H 8.96 . 1 1507 . 152 GLY HA2 H 3.64 . 2 1508 . 152 GLY HA3 H 4.77 . 2 1509 . 152 GLY CA C 44.28 . 1 1510 . 152 GLY N N 113.09 . 1 1511 . 153 SER H H 9.19 . 1 1512 . 153 SER HA H 4.55 . 1 1513 . 153 SER HB2 H 4.07 . 1 1514 . 153 SER HB3 H 4.07 . 1 1515 . 153 SER CA C 60.38 . 1 1516 . 153 SER CB C 63.62 . 1 1517 . 153 SER N N 117.3 . 1 1518 . 154 THR H H 7.49 . 1 1519 . 154 THR HA H 4.56 . 1 1520 . 154 THR HB H 4.44 . 1 1521 . 154 THR HG2 H 1.25 . 1 1522 . 154 THR CA C 58.7 . 1 1523 . 154 THR CB C 72.48 . 1 1524 . 154 THR CG2 C 21.73 . 1 1525 . 154 THR N N 111.25 . 1 1526 . 155 LYS H H 8.49 . 1 1527 . 155 LYS HA H 3.49 . 1 1528 . 155 LYS HB2 H 1.56 . 2 1529 . 155 LYS HB3 H 1.42 . 2 1530 . 155 LYS HG2 H 1.54 . 1 1531 . 155 LYS HG3 H 1.54 . 1 1532 . 155 LYS HD2 H 1.51 . 1 1533 . 155 LYS HD3 H 1.51 . 1 1534 . 155 LYS HE2 H 2.83 . 1 1535 . 155 LYS HE3 H 2.83 . 1 1536 . 155 LYS CA C 60.88 . 1 1537 . 155 LYS CB C 32.1 . 1 1538 . 155 LYS CG C 24.93 . 1 1539 . 155 LYS CD C 29.49 . 1 1540 . 155 LYS CE C 42.07 . 1 1541 . 155 LYS N N 125.21 . 1 1542 . 156 GLN H H 8.26 . 1 1543 . 156 GLN HA H 3.77 . 1 1544 . 156 GLN HB2 H 1.84 . 2 1545 . 156 GLN HB3 H 2.00 . 2 1546 . 156 GLN HG2 H 2.36 . 2 1547 . 156 GLN HG3 H 2.29 . 2 1548 . 156 GLN HE21 H 7.41 . 2 1549 . 156 GLN HE22 H 6.7 . 2 1550 . 156 GLN CA C 58.84 . 1 1551 . 156 GLN CB C 27.83 . 1 1552 . 156 GLN CG C 33.18 . 1 1553 . 156 GLN N N 119.18 . 1 1554 . 156 GLN NE2 N 113.54 . 1 1555 . 157 GLU H H 7.71 . 1 1556 . 157 GLU HA H 3.98 . 1 1557 . 157 GLU HB2 H 2.07 . 2 1558 . 157 GLU HB3 H 2.09 . 2 1559 . 157 GLU HG2 H 2.29 . 2 1560 . 157 GLU HG3 H 2.36 . 2 1561 . 157 GLU CA C 59.25 . 1 1562 . 157 GLU CB C 30.9 . 1 1563 . 157 GLU CG C 37.24 . 1 1564 . 157 GLU N N 121.04 . 1 1565 . 158 ALA H H 8.02 . 1 1566 . 158 ALA HA H 3.8 . 1 1567 . 158 ALA HB H 1.67 . 1 1568 . 158 ALA CA C 54.92 . 1 1569 . 158 ALA CB C 20.43 . 1 1570 . 158 ALA N N 123.81 . 1 1571 . 159 LYS H H 8.24 . 1 1572 . 159 LYS HA H 3.41 . 1 1573 . 159 LYS HB2 H 1.00 . 2 1574 . 159 LYS HB3 H 1.17 . 2 1575 . 159 LYS HG2 H 0.3 . 2 1576 . 159 LYS HG3 H -0.13 . 2 1577 . 159 LYS CA C 60.72 . 1 1578 . 159 LYS CB C 32.37 . 1 1579 . 159 LYS CG C 25.92 . 1 1580 . 159 LYS N N 120.76 . 1 1581 . 160 GLN H H 7.9 . 1 1582 . 160 GLN HA H 4.13 . 1 1583 . 160 GLN HB2 H 2.15 . 2 1584 . 160 GLN HB3 H 2.27 . 2 1585 . 160 GLN HG2 H 2.49 . 2 1586 . 160 GLN HG3 H 2.58 . 2 1587 . 160 GLN HE21 H 7.32 . 2 1588 . 160 GLN HE22 H 6.71 . 2 1589 . 160 GLN CA C 59.02 . 1 1590 . 160 GLN CB C 28.24 . 1 1591 . 160 GLN CG C 33.26 . 1 1592 . 160 GLN N N 119.11 . 1 1593 . 160 GLN NE2 N 111.19 . 1 1594 . 161 LEU H H 8.01 . 1 1595 . 161 LEU HA H 4.24 . 1 1596 . 161 LEU HB2 H 1.75 . 1 1597 . 161 LEU HB3 H 1.75 . 1 1598 . 161 LEU HG H 1.75 . 1 1599 . 161 LEU HD1 H 1.18 . 2 1600 . 161 LEU HD2 H 1.08 . 2 1601 . 161 LEU CA C 57.23 . 1 1602 . 161 LEU CB C 41.12 . 1 1603 . 161 LEU CG C 27.68 . 1 1604 . 161 LEU CD1 C 25.4 . 2 1605 . 161 LEU CD2 C 23.99 . 2 1606 . 161 LEU N N 122.36 . 1 1607 . 162 ALA H H 8.78 . 1 1608 . 162 ALA HA H 4.11 . 1 1609 . 162 ALA HB H 1.78 . 1 1610 . 162 ALA CA C 55.63 . 1 1611 . 162 ALA CB C 18.12 . 1 1612 . 162 ALA N N 125.14 . 1 1613 . 163 ALA H H 8.51 . 1 1614 . 163 ALA HA H 4.21 . 1 1615 . 163 ALA HB H 1.62 . 1 1616 . 163 ALA CA C 55.03 . 1 1617 . 163 ALA CB C 18.38 . 1 1618 . 163 ALA N N 124.41 . 1 1619 . 164 LYS H H 8.36 . 1 1620 . 164 LYS HA H 3.33 . 1 1621 . 164 LYS HB2 H 1.91 . 2 1622 . 164 LYS HB3 H 1.15 . 2 1623 . 164 LYS CA C 60.13 . 1 1624 . 164 LYS CB C 32.88 . 1 1625 . 164 LYS CG C 24.55 . 1 1626 . 164 LYS N N 123.98 . 1 1627 . 165 LEU H H 8.82 . 1 1628 . 165 LEU HA H 3.99 . 1 1629 . 165 LEU HB2 H 1.44 . 2 1630 . 165 LEU HB3 H 1.95 . 2 1631 . 165 LEU HG H 1.95 . 1 1632 . 165 LEU HD1 H 0.81 . 2 1633 . 165 LEU HD2 H 0.91 . 2 1634 . 165 LEU CA C 57.72 . 1 1635 . 165 LEU CB C 41.51 . 1 1636 . 165 LEU CG C 26.23 . 1 1637 . 165 LEU CD1 C 26.23 . 2 1638 . 165 LEU CD2 C 22.12 . 2 1639 . 165 LEU N N 119.28 . 1 1640 . 166 ALA H H 7.96 . 1 1641 . 166 ALA HA H 3.79 . 1 1642 . 166 ALA HB H 1.08 . 1 1643 . 166 ALA CA C 55.07 . 1 1644 . 166 ALA CB C 18.01 . 1 1645 . 166 ALA N N 125.9 . 1 1646 . 167 TYR H H 8.87 . 1 1647 . 167 TYR HA H 3.83 . 1 1648 . 167 TYR HB2 H 3.29 . 2 1649 . 167 TYR HB3 H 3.16 . 2 1650 . 167 TYR HD1 H 6.92 . 2 1651 . 167 TYR HD2 H 6.80 . 2 1652 . 167 TYR CA C 61.92 . 1 1653 . 167 TYR CB C 38.66 . 1 1654 . 167 TYR CD1 C 132.05 . 1 1655 . 167 TYR CD2 C 118.24 . 1 1656 . 167 TYR N N 122.2 . 1 1657 . 168 LEU H H 8.59 . 1 1658 . 168 LEU HA H 3.86 . 1 1659 . 168 LEU HB2 H 1.86 . 2 1660 . 168 LEU HB3 H 1.47 . 2 1661 . 168 LEU HG H 1.99 . 1 1662 . 168 LEU HD1 H 0.9 . 2 1663 . 168 LEU HD2 H 0.95 . 2 1664 . 168 LEU CA C 57.49 . 1 1665 . 168 LEU CB C 41.24 . 1 1666 . 168 LEU CG C 26.74 . 1 1667 . 168 LEU CD1 C 25.82 . 2 1668 . 168 LEU CD2 C 22.06 . 2 1669 . 168 LEU N N 118.42 . 1 1670 . 169 GLN H H 7.58 . 1 1671 . 169 GLN HA H 4.13 . 1 1672 . 169 GLN HB2 H 2.25 . 2 1673 . 169 GLN HB3 H 2.2 . 2 1674 . 169 GLN HG2 H 2.4 . 2 1675 . 169 GLN HG3 H 2.58 . 2 1676 . 169 GLN HE21 H 7.06 . 2 1677 . 169 GLN HE22 H 6.57 . 2 1678 . 169 GLN CA C 59.17 . 1 1679 . 169 GLN CB C 28.27 . 1 1680 . 169 GLN CG C 33.6 . 1 1681 . 169 GLN N N 123.02 . 1 1682 . 170 ILE H H 8.77 . 1 1683 . 170 ILE HA H 3.7 . 1 1684 . 170 ILE HB H 1.71 . 1 1685 . 170 ILE HG12 H 0.99 . 2 1686 . 170 ILE HG13 H 1.6 . 2 1687 . 170 ILE HG2 H 0.51 . 1 1688 . 170 ILE HD1 H 0.81 . 1 1689 . 170 ILE CA C 65.47 . 1 1690 . 170 ILE CB C 37.95 . 1 1691 . 170 ILE CG1 C 29.6 . 1 1692 . 170 ILE CG2 C 14.46 . 1 1693 . 170 ILE CD1 C 17.09 . 1 1694 . 170 ILE N N 126.18 . 1 1695 . 171 LEU H H 8.22 . 1 1696 . 171 LEU HA H 3.91 . 1 1697 . 171 LEU HB2 H 1.43 . 1 1698 . 171 LEU HB3 H 1.43 . 1 1699 . 171 LEU HG H 1.36 . 1 1700 . 171 LEU HD1 H 0.67 . 2 1701 . 171 LEU HD2 H 0.64 . 2 1702 . 171 LEU CA C 56.67 . 1 1703 . 171 LEU CB C 41.54 . 1 1704 . 171 LEU CG C 26.8 . 1 1705 . 171 LEU CD1 C 24.36 . 1 1706 . 171 LEU CD2 C 22.91 . 1 1707 . 171 LEU N N 121.53 . 1 1708 . 172 SER H H 7.62 . 1 1709 . 172 SER HA H 4.3 . 1 1710 . 172 SER HB2 H 4.04 . 1 1711 . 172 SER HB3 H 4.04 . 1 1712 . 172 SER CA C 60.63 . 1 1713 . 172 SER CB C 63.15 . 1 1714 . 172 SER N N 116.36 . 1 1715 . 173 GLU H H 8.03 . 1 1716 . 173 GLU HA H 4.26 . 1 1717 . 173 GLU HB2 H 2.13 . 1 1718 . 173 GLU HB3 H 2.13 . 1 1719 . 173 GLU HG2 H 2.61 . 2 1720 . 173 GLU HG3 H 2.16 . 2 1721 . 173 GLU CA C 57.69 . 1 1722 . 173 GLU CB C 30.29 . 1 1723 . 173 GLU CG C 36.78 . 1 1724 . 173 GLU N N 123.6 . 1 1725 . 174 GLU H H 8.09 . 1 1726 . 174 GLU HA H 4.38 . 1 1727 . 174 GLU HB2 H 2.07 . 2 1728 . 174 GLU HB3 H 2.15 . 2 1729 . 174 GLU HG2 H 2.32 . 2 1730 . 174 GLU HG3 H 2.39 . 2 1731 . 174 GLU CA C 57.13 . 1 1732 . 174 GLU CB C 30.03 . 1 1733 . 174 GLU CG C 36.41 . 1 1734 . 174 GLU N N 121.77 . 1 1735 . 175 THR H H 8.00 . 1 1736 . 175 THR HA H 4.4 . 1 1737 . 175 THR HB H 4.28 . 1 1738 . 175 THR HG2 H 1.26 . 1 1739 . 175 THR CA C 62.55 . 1 1740 . 175 THR CB C 69.98 . 1 1741 . 175 THR CG2 C 21.51 . 1 1742 . 175 THR N N 115.52 . 1 1743 . 176 GLY H H 8.34 . 1 1744 . 176 GLY HA2 H 4.07 . 1 1745 . 176 GLY HA3 H 4.07 . 1 1746 . 176 GLY CA C 45.55 . 1 1747 . 176 GLY N N 113.7 . 1 1748 . 177 SER H H 8.27 . 1 1749 . 177 SER HA H 4.49 . 1 1750 . 177 SER HB2 H 3.92 . 1 1751 . 177 SER HB3 H 3.92 . 1 1752 . 177 SER CA C 58.57 . 1 1753 . 177 SER CB C 63.89 . 1 1754 . 177 SER N N 118.08 . 1 1755 . 178 GLY H H 8.52 . 1 1756 . 178 GLY HA2 H 4.01 . 1 1757 . 178 GLY HA3 H 4.01 . 1 1758 . 178 GLY CA C 45.48 . 1 1759 . 178 GLY N N 113.69 . 1 1760 . 179 CYS H H 7.88 . 1 1761 . 179 CYS HA H 4.41 . 1 1762 . 179 CYS HB2 H 2.94 . 1 1763 . 179 CYS HB3 H 2.94 . 1 1764 . 179 CYS CA C 59.36 . 1 1765 . 179 CYS CB C 29.15 . 1 1766 . 179 CYS N N 125.31 . 1 stop_ save_