data_4092 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete Heteronuclear NMR Resonance Assignments, Secondary Structure, and Mapping of Core Binding Factor a Binding Site for Core Binding Factor b (1-141) ; _BMRB_accession_number 4092 _BMRB_flat_file_name bmr4092.str _Entry_type original _Submission_date 1998-01-06 _Accession_date 1998-01-06 _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 Huang Xuemei . . 2 Speck Nancy A. . 3 Bushweller John H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 895 "13C chemical shifts" 653 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1998-06-09 original author . stop_ _Original_release_date 1998-06-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Huang, X., Speck, N. A., and Bushweller, J. H., "Complete Heteronuclear NMR Resonance Assignments and Secondary Structure of Core Binding Factor b (1-141)," J. Biomol. NMR 12, 459-460 (1998). ; _Citation_title ; Complete Heteronuclear NMR Resonance Assignments and Secondary Structure of Core Binding Factor b (1-141) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99052119 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Xuemei . . 2 Speck Nancy A. . 3 Bushweller John H. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 12 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 459 _Page_last 460 _Year 1998 _Details . loop_ _Keyword assignment 'Core binding factor (CBF)' NMR 'nuclear magnetic resonance' resonance 'secondary structure' 'sequence-specific assignment' stop_ save_ ################################## # Molecular system description # ################################## save_system_CBF-b(141) _Saveframe_category molecular_system _Mol_system_name 'Core binding factor b subunit' _Abbreviation_common CBF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CBF-b(141) $CBF-b(141) stop_ _System_molecular_weight 16700 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'heterodimerization domain of core binding factor beta subunit' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CBF-b(141) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Core Binding Factor b subunit' _Name_variant CBF-b(141) _Abbreviation_common CBF-b _Molecular_mass 16700 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; GSMPRVVPDQRSKFENEEFF RKLSRECEIKYTGFRDRPHE ERQTRFQNACRDGRSEIAFV ATGTNLSLQFFPASWQGEQR QTPSREYVDLEREAGKVYLK APMILNGVCVIWKGWIDLHR LDGMGCLEFDEERAQQEDAL AQQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 MET 4 PRO 5 ARG 6 VAL 7 VAL 8 PRO 9 ASP 10 GLN 11 ARG 12 SER 13 LYS 14 PHE 15 GLU 16 ASN 17 GLU 18 GLU 19 PHE 20 PHE 21 ARG 22 LYS 23 LEU 24 SER 25 ARG 26 GLU 27 CYS 28 GLU 29 ILE 30 LYS 31 TYR 32 THR 33 GLY 34 PHE 35 ARG 36 ASP 37 ARG 38 PRO 39 HIS 40 GLU 41 GLU 42 ARG 43 GLN 44 THR 45 ARG 46 PHE 47 GLN 48 ASN 49 ALA 50 CYS 51 ARG 52 ASP 53 GLY 54 ARG 55 SER 56 GLU 57 ILE 58 ALA 59 PHE 60 VAL 61 ALA 62 THR 63 GLY 64 THR 65 ASN 66 LEU 67 SER 68 LEU 69 GLN 70 PHE 71 PHE 72 PRO 73 ALA 74 SER 75 TRP 76 GLN 77 GLY 78 GLU 79 GLN 80 ARG 81 GLN 82 THR 83 PRO 84 SER 85 ARG 86 GLU 87 TYR 88 VAL 89 ASP 90 LEU 91 GLU 92 ARG 93 GLU 94 ALA 95 GLY 96 LYS 97 VAL 98 TYR 99 LEU 100 LYS 101 ALA 102 PRO 103 MET 104 ILE 105 LEU 106 ASN 107 GLY 108 VAL 109 CYS 110 VAL 111 ILE 112 TRP 113 LYS 114 GLY 115 TRP 116 ILE 117 ASP 118 LEU 119 HIS 120 ARG 121 LEU 122 ASP 123 GLY 124 MET 125 GLY 126 CYS 127 LEU 128 GLU 129 PHE 130 ASP 131 GLU 132 GLU 133 ARG 134 ALA 135 GLN 136 GLN 137 GLU 138 ASP 139 ALA 140 LEU 141 ALA 142 GLN 143 GLN 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 1CL3 "Molecular Insights Into Pebp2CBF-Smmhc Associated Acute Leukemia Revealed From The Three-Dimensional Structure Of Pebp2CBF BETA" 95.80 138 100.00 100.00 4.48e-96 PDB 1E50 "Aml1CBF COMPLEX" 93.71 134 98.51 98.51 4.77e-92 PDB 1H9D "Aml1CBF-BetaDNA COMPLEX" 93.71 134 98.51 98.51 4.77e-92 PDB 1ILF "Nmr Structure Of Apo Cbfb" 98.60 141 100.00 100.00 1.98e-99 PDB 1IO4 "Crystal Structure Of Runx-1AML1CBFALPHA RUNT DOMAIN- Cbfbeta Core Domain Heterodimer And CEBPBETA BZIP Homodimer Bound To A Dna" 98.60 141 100.00 100.00 1.98e-99 PDB 2JHB "Core Binding Factor Beta" 99.30 143 100.00 100.00 4.40e-100 PDB 3WTS "Crystal Structure Of The Complex Comprised Of Ets1, Runx1, Cbfbeta, And The Tcralpha Gene Enhancer Dna" 98.60 142 100.00 100.00 1.67e-99 PDB 3WTT "Crystal Structure Of The Complex Comprised Of Phosphorylated Ets1, Runx1, Cbfbeta, And The Tcralpha Gene Enhancer Dna" 98.60 142 100.00 100.00 1.67e-99 PDB 3WTU "Crystal Structure Of The Complex Comprised Of Ets1 (v170a), Runx1, Cbfbeta, And The Tcralpha Gene Enhancer Dna" 98.60 142 100.00 100.00 1.67e-99 PDB 3WTV "Crystal Structure Of The Complex Comprised Of Ets1(v170g), Runx1, Cbfbeta, And The Tcralpha Gene Enhancer Dna" 98.60 142 100.00 100.00 1.67e-99 PDB 3WTW "Crystal Structure Of The Complex Comprised Of Ets1(k167a), Runx1, Cbfbeta, And The Tcralpha Gene Enhancer Dna" 98.60 142 100.00 100.00 1.67e-99 PDB 3WTX "Crystal Structure Of The Complex Comprised Of Ets1(y329a), Runx1, Cbfbeta, And The Tcralpha Gene Enhancer Dna" 98.60 142 100.00 100.00 1.67e-99 PDB 3WTY "Crystal Structure Of The Complex Comprised Of Ets1(g333p), Runx1, Cbfbeta, And The Tcralpha Gene Enhancer Dna" 98.60 142 100.00 100.00 1.67e-99 PDB 4N9F "Crystal Structure Of The Vif-cbfbeta-cul5-elob-eloc Pentameric Complex" 98.60 170 98.58 98.58 9.29e-98 DBJ BAA03424 "PEBP2b3 protein [Mus musculus]" 93.01 155 100.00 100.00 2.19e-93 DBJ BAA03425 "PEBP2b2 protein [Mus musculus]" 98.60 182 100.00 100.00 9.58e-100 DBJ BAA03426 "PEBP2b1 protein [Mus musculus]" 98.60 187 100.00 100.00 4.02e-99 DBJ BAC40748 "unnamed protein product [Mus musculus]" 98.60 187 98.58 98.58 8.75e-97 DBJ BAE22149 "unnamed protein product [Mus musculus]" 67.83 138 100.00 100.00 7.77e-65 GB AAA02868 "transcription factor, partial [Homo sapiens]" 93.71 175 98.51 98.51 7.53e-92 GB AAG01553 "core binding factor beta isoform PEBP2B [Homo sapiens]" 98.60 187 98.58 98.58 3.27e-97 GB AAH06763 "Core binding factor beta [Mus musculus]" 98.60 187 100.00 100.00 4.02e-99 GB AAH18509 "Core-binding factor, beta subunit [Homo sapiens]" 98.60 182 98.58 98.58 8.80e-98 GB AAH26749 "Core binding factor beta [Mus musculus]" 98.60 187 100.00 100.00 4.02e-99 REF NP_001013209 "core-binding factor subunit beta [Rattus norvegicus]" 98.60 182 100.00 100.00 9.58e-100 REF NP_001154929 "core-binding factor subunit beta isoform 3 [Mus musculus]" 93.01 155 100.00 100.00 2.19e-93 REF NP_001154930 "core-binding factor subunit beta isoform 4 [Mus musculus]" 98.60 182 100.00 100.00 9.58e-100 REF NP_001178364 "core-binding factor subunit beta [Bos taurus]" 98.60 182 97.87 97.87 4.06e-97 REF NP_001253487 "core-binding factor subunit beta [Macaca mulatta]" 98.60 187 98.58 98.58 3.27e-97 SP Q08024 "RecName: Full=Core-binding factor subunit beta; Short=CBF-beta; AltName: Full=Polyomavirus enhancer-binding protein 2 beta subu" 98.60 187 100.00 100.00 4.02e-99 SP Q13951 "RecName: Full=Core-binding factor subunit beta; Short=CBF-beta; AltName: Full=Polyomavirus enhancer-binding protein 2 beta subu" 98.60 182 98.58 98.58 8.80e-98 TPG DAA20210 "TPA: core-binding factor, beta subunit-like isoform 1 [Bos taurus]" 98.60 182 97.87 97.87 4.06e-97 TPG DAA20211 "TPA: core-binding factor, beta subunit-like isoform 2 [Bos taurus]" 98.60 187 97.87 97.87 1.06e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CBF-b(141) mouse 10090 Eukaryota Metazoa Mus musculus 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 _Details $CBF-b(141) 'recombinant technology' 'E. coli' Escherichia coli AR58 plasmid pGrxCBFb141 native 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 $CBF-b(141) 1.5 mM [U-15N;U-13C] 'potassium phosphate' 25 mM . EDTA 0.1 mM . NaN3 0.1 % . D2O 5 % . H2O 95 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one 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 . n/a temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 . ppm 0.0 . indirect . . . 0.25144954 $entry_citation $entry_citation DSS H 1 methyl ppm 0.0 external direct . . . . $entry_citation $entry_citation DSS N 15 . ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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 stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chem_shift_reference_one _Mol_system_component_name CBF-b(141) _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 GLY HA2 H 3.89 . 1 2 . 1 GLY HA3 H 3.89 . 1 3 . 1 GLY CA C 43.4 . 1 4 . 2 SER HA H 4.52 . 1 5 . 2 SER HB2 H 3.84 . 1 6 . 2 SER HB3 H 3.84 . 1 7 . 2 SER C C 174.1 . 1 8 . 2 SER CA C 57.9 . 1 9 . 2 SER CB C 63.7 . 1 10 . 3 MET H H 8.54 . 1 11 . 3 MET HA H 4.81 . 1 12 . 3 MET HB2 H 1.97 . 2 13 . 3 MET HB3 H 2.07 . 2 14 . 3 MET HG2 H 2.63 . 2 15 . 3 MET HG3 H 2.58 . 2 16 . 3 MET HE H 2.12 . 1 17 . 3 MET CA C 53.0 . 1 18 . 3 MET CB C 32.3 . 1 19 . 3 MET CG C 32.0 . 1 20 . 3 MET CE C 16.9 . 1 21 . 3 MET N N 123.26 . 1 22 . 4 PRO HA H 4.46 . 1 23 . 4 PRO HB2 H 2.02 . 2 24 . 4 PRO HB3 H 2.36 . 2 25 . 4 PRO HG2 H 2.04 . 1 26 . 4 PRO HG3 H 2.04 . 1 27 . 4 PRO HD2 H 3.66 . 2 28 . 4 PRO HD3 H 3.85 . 2 29 . 4 PRO C C 176.7 . 1 30 . 4 PRO CA C 62.7 . 1 31 . 4 PRO CB C 32.1 . 1 32 . 4 PRO CG C 27.2 . 1 33 . 4 PRO CD C 50.7 . 1 34 . 5 ARG H H 8.87 . 1 35 . 5 ARG HA H 4.23 . 1 36 . 5 ARG HB2 H 1.79 . 1 37 . 5 ARG HB3 H 1.79 . 1 38 . 5 ARG HG2 H 1.66 . 1 39 . 5 ARG HG3 H 1.66 . 1 40 . 5 ARG HD2 H 3.20 . 1 41 . 5 ARG HD3 H 3.20 . 1 42 . 5 ARG HE H 7.85 . 1 43 . 5 ARG C C 176.0 . 1 44 . 5 ARG CA C 56.7 . 1 45 . 5 ARG CB C 31.3 . 1 46 . 5 ARG CG C 27.3 . 1 47 . 5 ARG CD C 43.7 . 1 48 . 5 ARG N N 121.26 . 1 49 . 5 ARG NE N 84.3 . 1 50 . 6 VAL H H 7.46 . 1 51 . 6 VAL HA H 4.63 . 1 52 . 6 VAL HB H 2.18 . 1 53 . 6 VAL HG1 H 0.77 . 2 54 . 6 VAL HG2 H 0.81 . 2 55 . 6 VAL C C 177.1 . 1 56 . 6 VAL CA C 58.9 . 1 57 . 6 VAL CB C 34.2 . 1 58 . 6 VAL CG1 C 22.2 . 1 59 . 6 VAL CG2 C 18.3 . 1 60 . 6 VAL N N 112.56 . 1 61 . 7 VAL H H 8.54 . 1 62 . 7 VAL HA H 4.54 . 1 63 . 7 VAL HB H 2.39 . 1 64 . 7 VAL HG1 H 0.86 . 2 65 . 7 VAL HG2 H 1.06 . 2 66 . 7 VAL CA C 59.2 . 1 67 . 7 VAL CB C 30.7 . 1 68 . 7 VAL CG1 C 18.9 . 1 69 . 7 VAL CG2 C 22.0 . 1 70 . 7 VAL N N 118.06 . 1 71 . 8 PRO HA H 4.46 . 1 72 . 8 PRO HB2 H 1.88 . 2 73 . 8 PRO HB3 H 2.32 . 2 74 . 8 PRO HG2 H 2.05 . 1 75 . 8 PRO HG3 H 2.05 . 1 76 . 8 PRO HD2 H 3.70 . 2 77 . 8 PRO HD3 H 3.86 . 2 78 . 8 PRO C C 176.8 . 1 79 . 8 PRO CA C 63.5 . 1 80 . 8 PRO CB C 31.7 . 1 81 . 8 PRO CG C 27.4 . 1 82 . 8 PRO CD C 50.4 . 1 83 . 9 ASP H H 8.50 . 1 84 . 9 ASP HA H 4.71 . 1 85 . 9 ASP HB2 H 2.63 . 2 86 . 9 ASP HB3 H 2.79 . 2 87 . 9 ASP C C 176.0 . 1 88 . 9 ASP CA C 52.7 . 1 89 . 9 ASP CB C 39.4 . 1 90 . 9 ASP N N 118.96 . 1 91 . 10 GLN H H 8.54 . 1 92 . 10 GLN HA H 3.75 . 1 93 . 10 GLN HB2 H 2.23 . 1 94 . 10 GLN HB3 H 2.65 . 1 95 . 10 GLN HG2 H 2.73 . 1 96 . 10 GLN HG3 H 2.93 . 1 97 . 10 GLN HE21 H 8.11 . 2 98 . 10 GLN HE22 H 6.06 . 2 99 . 10 GLN C C 176.9 . 1 100 . 10 GLN CA C 60.1 . 1 101 . 10 GLN CB C 31.0 . 1 102 . 10 GLN CG C 35.3 . 1 103 . 10 GLN N N 120.26 . 1 104 . 10 GLN NE2 N 110.66 . 1 105 . 11 ARG H H 8.55 . 1 106 . 11 ARG HA H 2.65 . 1 107 . 11 ARG HB2 H 1.52 . 1 108 . 11 ARG HB3 H 1.52 . 1 109 . 11 ARG HG2 H 0.93 . 1 110 . 11 ARG HG3 H 1.21 . 1 111 . 11 ARG HD2 H 2.93 . 1 112 . 11 ARG HD3 H 3.03 . 1 113 . 11 ARG HE H 7.56 . 1 114 . 11 ARG C C 177.8 . 1 115 . 11 ARG CA C 59.0 . 1 116 . 11 ARG CB C 29.1 . 1 117 . 11 ARG CG C 26.9 . 1 118 . 11 ARG CD C 42.6 . 1 119 . 11 ARG CZ C 159.8 . 1 120 . 11 ARG N N 118.36 . 1 121 . 11 ARG NE N 84.16 . 1 122 . 12 SER H H 7.70 . 1 123 . 12 SER HA H 4.05 . 1 124 . 12 SER HB2 H 3.82 . 1 125 . 12 SER HB3 H 3.82 . 1 126 . 12 SER C C 177.2 . 1 127 . 12 SER CA C 60.9 . 1 128 . 12 SER CB C 62.5 . 1 129 . 12 SER N N 112.46 . 1 130 . 13 LYS H H 7.74 . 1 131 . 13 LYS HA H 4.14 . 1 132 . 13 LYS HB2 H 1.85 . 1 133 . 13 LYS HB3 H 1.85 . 1 134 . 13 LYS HG2 H 1.51 . 2 135 . 13 LYS HG3 H 1.66 . 2 136 . 13 LYS HD2 H 1.74 . 1 137 . 13 LYS HD3 H 1.74 . 1 138 . 13 LYS HE2 H 3.14 . 1 139 . 13 LYS HE3 H 3.14 . 1 140 . 13 LYS C C 177.7 . 1 141 . 13 LYS CA C 59.7 . 1 142 . 13 LYS CB C 32.5 . 1 143 . 13 LYS CG C 25.8 . 1 144 . 13 LYS CD C 29.6 . 1 145 . 13 LYS CE C 41.9 . 1 146 . 13 LYS N N 121.36 . 1 147 . 14 PHE H H 7.99 . 1 148 . 14 PHE HA H 3.42 . 1 149 . 14 PHE HB2 H 2.55 . 2 150 . 14 PHE HB3 H 2.70 . 2 151 . 14 PHE HD1 H 6.62 . 1 152 . 14 PHE HD2 H 6.62 . 1 153 . 14 PHE HE1 H 7.21 . 1 154 . 14 PHE HE2 H 7.21 . 1 155 . 14 PHE HZ H 7.16 . 1 156 . 14 PHE C C 175.9 . 1 157 . 14 PHE CA C 60.9 . 1 158 . 14 PHE CB C 39.2 . 1 159 . 14 PHE CD1 C 131.9 . 1 160 . 14 PHE CD2 C 131.9 . 1 161 . 14 PHE CE1 C 130.8 . 1 162 . 14 PHE CE2 C 130.8 . 1 163 . 14 PHE CZ C 130.8 . 1 164 . 14 PHE N N 118.16 . 1 165 . 15 GLU H H 8.01 . 1 166 . 15 GLU HA H 3.87 . 1 167 . 15 GLU HB2 H 1.93 . 1 168 . 15 GLU HB3 H 1.93 . 1 169 . 15 GLU HG2 H 2.25 . 2 170 . 15 GLU HG3 H 2.53 . 2 171 . 15 GLU C C 178.2 . 1 172 . 15 GLU CA C 57.7 . 1 173 . 15 GLU CB C 30.5 . 1 174 . 15 GLU CG C 36.9 . 1 175 . 15 GLU N N 111.26 . 1 176 . 16 ASN H H 8.05 . 1 177 . 16 ASN HA H 4.83 . 1 178 . 16 ASN HB2 H 2.68 . 2 179 . 16 ASN HB3 H 2.92 . 2 180 . 16 ASN HD21 H 7.85 . 2 181 . 16 ASN HD22 H 7.19 . 2 182 . 16 ASN C C 176.0 . 1 183 . 16 ASN CA C 54.7 . 1 184 . 16 ASN CB C 40.9 . 1 185 . 16 ASN N N 113.16 . 1 186 . 16 ASN ND2 N 115.66 . 1 187 . 17 GLU H H 8.51 . 1 188 . 17 GLU HA H 4.48 . 1 189 . 17 GLU HB2 H 2.36 . 2 190 . 17 GLU HB3 H 2.58 . 2 191 . 17 GLU HG2 H 2.50 . 2 192 . 17 GLU HG3 H 2.62 . 2 193 . 17 GLU C C 177.5 . 1 194 . 17 GLU CA C 57.0 . 1 195 . 17 GLU CB C 29.5 . 1 196 . 17 GLU CG C 37.2 . 1 197 . 17 GLU N N 121.06 . 1 198 . 18 GLU H H 9.07 . 1 199 . 18 GLU HA H 3.85 . 1 200 . 18 GLU HB2 H 1.99 . 2 201 . 18 GLU HB3 H 2.09 . 2 202 . 18 GLU HG2 H 2.27 . 1 203 . 18 GLU HG3 H 2.27 . 1 204 . 18 GLU C C 176.5 . 1 205 . 18 GLU CA C 59.8 . 1 206 . 18 GLU CB C 29.8 . 1 207 . 18 GLU CG C 35.8 . 1 208 . 18 GLU N N 127.26 . 1 209 . 19 PHE H H 8.70 . 1 210 . 19 PHE HA H 3.83 . 1 211 . 19 PHE HB2 H 2.18 . 2 212 . 19 PHE HB3 H 3.11 . 2 213 . 19 PHE HD1 H 6.09 . 1 214 . 19 PHE HD2 H 6.09 . 1 215 . 19 PHE HE1 H 6.88 . 1 216 . 19 PHE HE2 H 6.88 . 1 217 . 19 PHE HZ H 6.96 . 1 218 . 19 PHE C C 175.5 . 1 219 . 19 PHE CA C 61.0 . 1 220 . 19 PHE CB C 40.0 . 1 221 . 19 PHE CD1 C 131.4 . 1 222 . 19 PHE CD2 C 131.4 . 1 223 . 19 PHE CE1 C 130.6 . 1 224 . 19 PHE CE2 C 130.6 . 1 225 . 19 PHE CZ C 128.8 . 1 226 . 19 PHE N N 116.76 . 1 227 . 20 PHE H H 6.50 . 1 228 . 20 PHE HA H 3.83 . 1 229 . 20 PHE HB2 H 2.33 . 2 230 . 20 PHE HB3 H 2.94 . 2 231 . 20 PHE HD1 H 7.31 . 1 232 . 20 PHE HD2 H 7.31 . 1 233 . 20 PHE HE1 H 7.44 . 1 234 . 20 PHE HE2 H 7.44 . 1 235 . 20 PHE HZ H 7.83 . 1 236 . 20 PHE C C 178.8 . 1 237 . 20 PHE CA C 60.6 . 1 238 . 20 PHE CB C 40.1 . 1 239 . 20 PHE CD1 C 131.9 . 1 240 . 20 PHE CD2 C 131.9 . 1 241 . 20 PHE CE1 C 131.1 . 1 242 . 20 PHE CE2 C 131.1 . 1 243 . 20 PHE CZ C 131.2 . 1 244 . 20 PHE N N 111.16 . 1 245 . 21 ARG H H 8.27 . 1 246 . 21 ARG HA H 3.87 . 1 247 . 21 ARG HB2 H 1.71 . 1 248 . 21 ARG HB3 H 1.71 . 1 249 . 21 ARG HG2 H 1.46 . 1 250 . 21 ARG HG3 H 1.46 . 1 251 . 21 ARG HD2 H 2.98 . 2 252 . 21 ARG HD3 H 3.12 . 2 253 . 21 ARG HE H 7.06 . 1 254 . 21 ARG C C 180.7 . 1 255 . 21 ARG CA C 59.4 . 1 256 . 21 ARG CB C 30.2 . 1 257 . 21 ARG CG C 27.0 . 1 258 . 21 ARG CD C 43.7 . 1 259 . 21 ARG CZ C 159.5 . 1 260 . 21 ARG N N 120.46 . 1 261 . 21 ARG NE N 84.16 . 1 262 . 22 LYS H H 8.09 . 1 263 . 22 LYS HA H 3.92 . 1 264 . 22 LYS HB2 H 1.59 . 1 265 . 22 LYS HB3 H 1.59 . 1 266 . 22 LYS HG2 H 1.34 . 2 267 . 22 LYS HG3 H 1.52 . 2 268 . 22 LYS HD2 H 1.51 . 1 269 . 22 LYS HD3 H 1.51 . 1 270 . 22 LYS HE2 H 2.85 . 1 271 . 22 LYS HE3 H 2.85 . 1 272 . 22 LYS C C 177.0 . 1 273 . 22 LYS CA C 58.4 . 1 274 . 22 LYS CB C 32.3 . 1 275 . 22 LYS CG C 25.3 . 1 276 . 22 LYS CD C 28.9 . 1 277 . 22 LYS CE C 41.9 . 1 278 . 22 LYS N N 116.26 . 1 279 . 23 LEU H H 6.88 . 1 280 . 23 LEU HA H 4.23 . 1 281 . 23 LEU HB2 H 0.91 . 2 282 . 23 LEU HB3 H 1.16 . 2 283 . 23 LEU HG H 1.10 . 1 284 . 23 LEU HD1 H -0.25 . 2 285 . 23 LEU HD2 H -0.13 . 2 286 . 23 LEU C C 175.9 . 1 287 . 23 LEU CA C 53.6 . 1 288 . 23 LEU CB C 41.6 . 1 289 . 23 LEU CG C 25.0 . 1 290 . 23 LEU CD1 C 20.9 . 2 291 . 23 LEU CD2 C 24.8 . 2 292 . 23 LEU N N 116.26 . 1 293 . 24 SER H H 7.37 . 1 294 . 24 SER HA H 4.99 . 1 295 . 24 SER HB2 H 3.92 . 2 296 . 24 SER HB3 H 4.17 . 2 297 . 24 SER C C 174.3 . 1 298 . 24 SER CA C 59.2 . 1 299 . 24 SER CB C 63.6 . 1 300 . 24 SER N N 112.76 . 1 301 . 25 ARG H H 7.43 . 1 302 . 25 ARG HA H 4.64 . 1 303 . 25 ARG HB2 H 1.68 . 2 304 . 25 ARG HB3 H 1.85 . 2 305 . 25 ARG HG2 H 1.67 . 1 306 . 25 ARG HG3 H 1.67 . 1 307 . 25 ARG HD2 H 3.22 . 1 308 . 25 ARG HD3 H 3.22 . 1 309 . 25 ARG C C 175.2 . 1 310 . 25 ARG CA C 53.6 . 1 311 . 25 ARG CB C 31.7 . 1 312 . 25 ARG CG C 26.8 . 1 313 . 25 ARG CD C 43.2 . 1 314 . 25 ARG N N 120.96 . 1 315 . 26 GLU H H 8.69 . 1 316 . 26 GLU HA H 3.96 . 1 317 . 26 GLU HB2 H 1.89 . 2 318 . 26 GLU HB3 H 1.94 . 2 319 . 26 GLU HG2 H 2.13 . 2 320 . 26 GLU HG3 H 2.31 . 2 321 . 26 GLU C C 176.4 . 1 322 . 26 GLU CA C 58.3 . 1 323 . 26 GLU CB C 29.9 . 1 324 . 26 GLU CG C 37.3 . 1 325 . 26 GLU N N 120.96 . 1 326 . 27 CYS H H 9.58 . 1 327 . 27 CYS HA H 4.95 . 1 328 . 27 CYS HB2 H 3.01 . 2 329 . 27 CYS HB3 H 3.30 . 2 330 . 27 CYS C C 173.3 . 1 331 . 27 CYS CA C 56.8 . 1 332 . 27 CYS CB C 30.6 . 1 333 . 27 CYS N N 120.46 . 1 334 . 28 GLU H H 8.36 . 1 335 . 28 GLU HA H 4.72 . 1 336 . 28 GLU HB2 H 2.04 . 1 337 . 28 GLU HB3 H 2.04 . 1 338 . 28 GLU HG2 H 2.26 . 2 339 . 28 GLU HG3 H 2.50 . 2 340 . 28 GLU C C 177.5 . 1 341 . 28 GLU CA C 58.5 . 1 342 . 28 GLU CB C 30.2 . 1 343 . 28 GLU CG C 36.5 . 1 344 . 28 GLU N N 119.96 . 1 345 . 29 ILE H H 8.02 . 1 346 . 29 ILE HA H 5.68 . 1 347 . 29 ILE HB H 1.43 . 1 348 . 29 ILE HG12 H 0.75 . 2 349 . 29 ILE HG13 H 0.38 . 2 350 . 29 ILE HG2 H 0.48 . 1 351 . 29 ILE HD1 H 0.51 . 1 352 . 29 ILE C C 174.9 . 1 353 . 29 ILE CA C 58.3 . 1 354 . 29 ILE CB C 42.5 . 1 355 . 29 ILE CG1 C 25.6 . 1 356 . 29 ILE CG2 C 18.9 . 1 357 . 29 ILE CD1 C 14.9 . 1 358 . 29 ILE N N 118.96 . 1 359 . 30 LYS H H 8.47 . 1 360 . 30 LYS HA H 4.75 . 1 361 . 30 LYS HB2 H 1.72 . 1 362 . 30 LYS HB3 H 1.72 . 1 363 . 30 LYS HG2 H 1.24 . 2 364 . 30 LYS HG3 H 1.31 . 2 365 . 30 LYS HD2 H 1.64 . 1 366 . 30 LYS HD3 H 1.64 . 1 367 . 30 LYS HE2 H 2.88 . 1 368 . 30 LYS HE3 H 2.88 . 1 369 . 30 LYS C C 174.8 . 1 370 . 30 LYS CA C 55.6 . 1 371 . 30 LYS CB C 36.5 . 1 372 . 30 LYS CG C 24.3 . 1 373 . 30 LYS CD C 29.6 . 1 374 . 30 LYS CE C 41.9 . 1 375 . 30 LYS N N 114.96 . 1 376 . 31 TYR H H 8.32 . 1 377 . 31 TYR HA H 5.06 . 1 378 . 31 TYR HB2 H 2.65 . 2 379 . 31 TYR HB3 H 2.77 . 2 380 . 31 TYR HD1 H 8.00 . 1 381 . 31 TYR HD2 H 8.00 . 1 382 . 31 TYR HE1 H 6.87 . 1 383 . 31 TYR HE2 H 6.87 . 1 384 . 31 TYR C C 177.7 . 1 385 . 31 TYR CA C 56.9 . 1 386 . 31 TYR CB C 39.2 . 1 387 . 31 TYR CD1 C 134.5 . 1 388 . 31 TYR CD2 C 134.5 . 1 389 . 31 TYR CE1 C 118.7 . 1 390 . 31 TYR CE2 C 118.7 . 1 391 . 31 TYR N N 122.46 . 1 392 . 32 THR H H 8.65 . 1 393 . 32 THR HA H 4.09 . 1 394 . 32 THR HB H 4.26 . 1 395 . 32 THR HG2 H 1.00 . 1 396 . 32 THR C C 174.1 . 1 397 . 32 THR CA C 60.8 . 1 398 . 32 THR CB C 68.5 . 1 399 . 32 THR CG2 C 22.9 . 1 400 . 32 THR N N 119.66 . 1 401 . 33 GLY H H 5.22 . 1 402 . 33 GLY HA2 H 3.77 . 2 403 . 33 GLY HA3 H 3.30 . 2 404 . 33 GLY C C 172.9 . 1 405 . 33 GLY CA C 44.9 . 1 406 . 33 GLY N N 105.36 . 1 407 . 34 PHE H H 8.84 . 1 408 . 34 PHE HA H 4.07 . 1 409 . 34 PHE HB2 H 2.78 . 2 410 . 34 PHE HB3 H 3.08 . 2 411 . 34 PHE HD1 H 7.33 . 1 412 . 34 PHE HD2 H 7.33 . 1 413 . 34 PHE HE1 H 7.45 . 1 414 . 34 PHE HE2 H 7.45 . 1 415 . 34 PHE HZ H 7.30 . 1 416 . 34 PHE C C 177.3 . 1 417 . 34 PHE CA C 58.9 . 1 418 . 34 PHE CB C 36.2 . 1 419 . 34 PHE CD1 C 131.4 . 1 420 . 34 PHE CD2 C 131.4 . 1 421 . 34 PHE CE1 C 131.4 . 1 422 . 34 PHE CE2 C 131.4 . 1 423 . 34 PHE CZ C 129.7 . 1 424 . 34 PHE N N 119.16 . 1 425 . 35 ARG H H 8.35 . 1 426 . 35 ARG HA H 3.64 . 1 427 . 35 ARG HB2 H 1.72 . 1 428 . 35 ARG HB3 H 1.72 . 1 429 . 35 ARG HG2 H 1.49 . 1 430 . 35 ARG HG3 H 1.49 . 1 431 . 35 ARG HD2 H 3.07 . 1 432 . 35 ARG HD3 H 3.07 . 1 433 . 35 ARG C C 176.4 . 1 434 . 35 ARG CA C 59.1 . 1 435 . 35 ARG CB C 29.9 . 1 436 . 35 ARG CG C 27.5 . 1 437 . 35 ARG CD C 43.4 . 1 438 . 35 ARG N N 115.96 . 1 439 . 36 ASP H H 8.86 . 1 440 . 36 ASP HA H 4.57 . 1 441 . 36 ASP HB2 H 2.62 . 2 442 . 36 ASP HB3 H 2.85 . 2 443 . 36 ASP C C 175.6 . 1 444 . 36 ASP CA C 53.4 . 1 445 . 36 ASP CB C 39.7 . 1 446 . 36 ASP N N 114.96 . 1 447 . 37 ARG H H 7.47 . 1 448 . 37 ARG HA H 4.69 . 1 449 . 37 ARG HB2 H 1.85 . 1 450 . 37 ARG HB3 H 1.85 . 1 451 . 37 ARG HG2 H 1.78 . 1 452 . 37 ARG HG3 H 1.78 . 1 453 . 37 ARG HD2 H 3.16 . 1 454 . 37 ARG HD3 H 3.16 . 1 455 . 37 ARG HE H 7.81 . 1 456 . 37 ARG CA C 51.1 . 1 457 . 37 ARG CB C 27.0 . 1 458 . 37 ARG CG C 26.3 . 1 459 . 37 ARG CD C 40.7 . 1 460 . 37 ARG CZ C 159.8 . 1 461 . 37 ARG N N 118.46 . 1 462 . 37 ARG NE N 83.16 . 1 463 . 38 PRO HA H 4.51 . 1 464 . 38 PRO HB2 H 2.03 . 2 465 . 38 PRO HB3 H 2.60 . 2 466 . 38 PRO HG2 H 2.21 . 1 467 . 38 PRO HG3 H 2.21 . 1 468 . 38 PRO HD2 H 3.63 . 2 469 . 38 PRO HD3 H 3.82 . 2 470 . 38 PRO C C 177.7 . 1 471 . 38 PRO CA C 62.6 . 1 472 . 38 PRO CB C 32.8 . 1 473 . 38 PRO CG C 28.3 . 1 474 . 38 PRO CD C 50.1 . 1 475 . 39 HIS H H 9.18 . 1 476 . 39 HIS HA H 4.03 . 1 477 . 39 HIS HB2 H 3.06 . 2 478 . 39 HIS HB3 H 3.26 . 2 479 . 39 HIS HD2 H 6.92 . 1 480 . 39 HIS HE1 H 7.44 . 1 481 . 39 HIS C C 176.7 . 1 482 . 39 HIS CA C 61.7 . 1 483 . 39 HIS CB C 31.5 . 1 484 . 39 HIS CD2 C 117.5 . 1 485 . 39 HIS CE1 C 137.9 . 1 486 . 39 HIS N N 124.86 . 1 487 . 40 GLU H H 9.40 . 1 488 . 40 GLU HA H 4.19 . 1 489 . 40 GLU HB2 H 2.04 . 1 490 . 40 GLU HB3 H 2.04 . 1 491 . 40 GLU HG2 H 2.42 . 1 492 . 40 GLU HG3 H 2.42 . 1 493 . 40 GLU C C 179.1 . 1 494 . 40 GLU CA C 59.5 . 1 495 . 40 GLU CB C 28.3 . 1 496 . 40 GLU CG C 36.7 . 1 497 . 40 GLU N N 115.76 . 1 498 . 41 GLU H H 7.08 . 1 499 . 41 GLU HA H 4.19 . 1 500 . 41 GLU HB2 H 2.07 . 2 501 . 41 GLU HB3 H 2.17 . 2 502 . 41 GLU HG2 H 2.43 . 1 503 . 41 GLU HG3 H 2.43 . 1 504 . 41 GLU C C 178.8 . 1 505 . 41 GLU CA C 58.1 . 1 506 . 41 GLU CB C 29.3 . 1 507 . 41 GLU CG C 36.7 . 1 508 . 41 GLU N N 119.86 . 1 509 . 42 ARG H H 8.36 . 1 510 . 42 ARG HA H 3.71 . 1 511 . 42 ARG HB2 H 1.81 . 1 512 . 42 ARG HB3 H 1.81 . 1 513 . 42 ARG C C 178.2 . 1 514 . 42 ARG CA C 61.7 . 1 515 . 42 ARG CB C 29.5 . 1 516 . 42 ARG N N 119.76 . 1 517 . 43 GLN H H 8.37 . 1 518 . 43 GLN HA H 3.92 . 1 519 . 43 GLN HB2 H 2.01 . 1 520 . 43 GLN HB3 H 2.50 . 1 521 . 43 GLN HG2 H 2.22 . 1 522 . 43 GLN HG3 H 2.22 . 1 523 . 43 GLN HE21 H 7.78 . 2 524 . 43 GLN HE22 H 7.02 . 2 525 . 43 GLN C C 179.1 . 1 526 . 43 GLN CA C 59.5 . 1 527 . 43 GLN CB C 28.9 . 1 528 . 43 GLN CG C 33.5 . 1 529 . 43 GLN N N 116.46 . 1 530 . 43 GLN NE2 N 112.06 . 1 531 . 44 THR H H 7.48 . 1 532 . 44 THR HA H 3.95 . 1 533 . 44 THR HB H 4.24 . 1 534 . 44 THR HG2 H 1.21 . 1 535 . 44 THR C C 176.4 . 1 536 . 44 THR CA C 66.1 . 1 537 . 44 THR CB C 68.8 . 1 538 . 44 THR CG2 C 21.9 . 1 539 . 44 THR N N 117.26 . 1 540 . 45 ARG H H 8.77 . 1 541 . 45 ARG HA H 3.87 . 1 542 . 45 ARG HB2 H 1.51 . 1 543 . 45 ARG HB3 H 1.71 . 1 544 . 45 ARG HG2 H 1.14 . 1 545 . 45 ARG HG3 H 1.14 . 1 546 . 45 ARG HD2 H 1.89 . 2 547 . 45 ARG HD3 H 1.99 . 2 548 . 45 ARG HE H 7.88 . 1 549 . 45 ARG C C 179.7 . 1 550 . 45 ARG CA C 58.8 . 1 551 . 45 ARG CB C 29.7 . 1 552 . 45 ARG CG C 27.2 . 1 553 . 45 ARG CD C 41.6 . 1 554 . 45 ARG CZ C 159.2 . 1 555 . 45 ARG N N 121.26 . 1 556 . 45 ARG NE N 85.16 . 1 557 . 46 PHE H H 8.93 . 1 558 . 46 PHE HA H 3.82 . 1 559 . 46 PHE HB2 H 2.67 . 2 560 . 46 PHE HB3 H 2.78 . 2 561 . 46 PHE HD1 H 6.31 . 1 562 . 46 PHE HD2 H 6.31 . 1 563 . 46 PHE HE1 H 6.89 . 1 564 . 46 PHE HE2 H 6.89 . 1 565 . 46 PHE HZ H 6.68 . 1 566 . 46 PHE C C 178.1 . 1 567 . 46 PHE CA C 61.4 . 1 568 . 46 PHE CB C 39.1 . 1 569 . 46 PHE CD1 C 131.6 . 1 570 . 46 PHE CD2 C 131.6 . 1 571 . 46 PHE CE1 C 130.0 . 1 572 . 46 PHE CE2 C 130.0 . 1 573 . 46 PHE CZ C 129.1 . 1 574 . 46 PHE N N 120.06 . 1 575 . 47 GLN H H 7.68 . 1 576 . 47 GLN HA H 3.49 . 1 577 . 47 GLN HB2 H 2.17 . 1 578 . 47 GLN HB3 H 2.17 . 1 579 . 47 GLN HG2 H 2.21 . 2 580 . 47 GLN HG3 H 2.58 . 2 581 . 47 GLN HE21 H 7.57 . 2 582 . 47 GLN HE22 H 6.92 . 2 583 . 47 GLN C C 177.9 . 1 584 . 47 GLN CA C 59.7 . 1 585 . 47 GLN CB C 28.3 . 1 586 . 47 GLN CG C 35.2 . 1 587 . 47 GLN N N 119.46 . 1 588 . 47 GLN NE2 N 111.46 . 1 589 . 48 ASN H H 8.35 . 1 590 . 48 ASN HA H 4.31 . 1 591 . 48 ASN HB2 H 2.82 . 1 592 . 48 ASN HB3 H 2.82 . 1 593 . 48 ASN HD21 H 7.59 . 2 594 . 48 ASN HD22 H 6.93 . 2 595 . 48 ASN C C 177.3 . 1 596 . 48 ASN CA C 55.1 . 1 597 . 48 ASN CB C 37.5 . 1 598 . 48 ASN N N 118.16 . 1 599 . 48 ASN ND2 N 111.26 . 1 600 . 49 ALA H H 7.97 . 1 601 . 49 ALA HA H 4.36 . 1 602 . 49 ALA HB H 1.66 . 1 603 . 49 ALA C C 180.5 . 1 604 . 49 ALA CA C 55.5 . 1 605 . 49 ALA CB C 17.5 . 1 606 . 49 ALA N N 121.96 . 1 607 . 50 CYS H H 7.91 . 1 608 . 50 CYS HA H 4.02 . 1 609 . 50 CYS HB2 H 2.25 . 2 610 . 50 CYS HB3 H 2.63 . 2 611 . 50 CYS C C 177.7 . 1 612 . 50 CYS CA C 64.2 . 1 613 . 50 CYS CB C 25.5 . 1 614 . 50 CYS N N 117.46 . 1 615 . 51 ARG H H 7.63 . 1 616 . 51 ARG HA H 4.05 . 1 617 . 51 ARG HB2 H 1.98 . 1 618 . 51 ARG HB3 H 1.98 . 1 619 . 51 ARG HG2 H 1.64 . 2 620 . 51 ARG HG3 H 1.82 . 2 621 . 51 ARG HD2 H 3.22 . 1 622 . 51 ARG HD3 H 3.22 . 1 623 . 51 ARG HE H 7.29 . 1 624 . 51 ARG C C 177.1 . 1 625 . 51 ARG CA C 58.8 . 1 626 . 51 ARG CB C 29.6 . 1 627 . 51 ARG CG C 27.5 . 1 628 . 51 ARG CD C 43.2 . 1 629 . 51 ARG CZ C 159.5 . 1 630 . 51 ARG N N 118.46 . 1 631 . 51 ARG NE N 84.76 . 1 632 . 52 ASP H H 7.36 . 1 633 . 52 ASP HA H 4.92 . 1 634 . 52 ASP HB2 H 2.84 . 2 635 . 52 ASP HB3 H 2.98 . 2 636 . 52 ASP C C 176.5 . 1 637 . 52 ASP CA C 54.4 . 1 638 . 52 ASP CB C 41.9 . 1 639 . 52 ASP N N 116.96 . 1 640 . 53 GLY H H 8.20 . 1 641 . 53 GLY HA2 H 4.37 . 2 642 . 53 GLY HA3 H 3.50 . 2 643 . 53 GLY C C 172.7 . 1 644 . 53 GLY CA C 46.5 . 1 645 . 53 GLY N N 106.86 . 1 646 . 54 ARG H H 8.31 . 1 647 . 54 ARG HA H 5.03 . 1 648 . 54 ARG HB2 H 1.81 . 2 649 . 54 ARG HB3 H 1.64 . 2 650 . 54 ARG HG2 H 1.53 . 1 651 . 54 ARG HG3 H 1.53 . 1 652 . 54 ARG HD2 H 3.17 . 1 653 . 54 ARG HD3 H 3.17 . 1 654 . 54 ARG HE H 7.32 . 1 655 . 54 ARG C C 175.7 . 1 656 . 54 ARG CA C 54.6 . 1 657 . 54 ARG CB C 34.6 . 1 658 . 54 ARG CG C 27.5 . 1 659 . 54 ARG CD C 43.4 . 1 660 . 54 ARG CZ C 159.5 . 1 661 . 54 ARG N N 119.26 . 1 662 . 54 ARG NE N 85.16 . 1 663 . 55 SER H H 7.67 . 1 664 . 55 SER HA H 4.39 . 1 665 . 55 SER HB2 H 4.10 . 2 666 . 55 SER HB3 H 3.30 . 2 667 . 55 SER C C 173.3 . 1 668 . 55 SER CA C 58.5 . 1 669 . 55 SER CB C 65.0 . 1 670 . 55 SER N N 110.36 . 1 671 . 56 GLU H H 7.83 . 1 672 . 56 GLU HA H 5.15 . 1 673 . 56 GLU HB2 H 1.68 . 2 674 . 56 GLU HB3 H 1.77 . 2 675 . 56 GLU HG2 H 2.08 . 1 676 . 56 GLU HG3 H 2.08 . 1 677 . 56 GLU C C 174.8 . 1 678 . 56 GLU CA C 55.3 . 1 679 . 56 GLU CB C 31.5 . 1 680 . 56 GLU CG C 35.2 . 1 681 . 56 GLU N N 121.46 . 1 682 . 57 ILE H H 8.42 . 1 683 . 57 ILE HA H 4.86 . 1 684 . 57 ILE HB H 1.25 . 1 685 . 57 ILE HG12 H 0.80 . 2 686 . 57 ILE HG13 H 1.51 . 2 687 . 57 ILE HG2 H 0.71 . 1 688 . 57 ILE HD1 H 0.62 . 1 689 . 57 ILE C C 174.6 . 1 690 . 57 ILE CA C 59.1 . 1 691 . 57 ILE CB C 42.6 . 1 692 . 57 ILE CG1 C 27.9 . 1 693 . 57 ILE CG2 C 19.7 . 1 694 . 57 ILE CD1 C 13.9 . 1 695 . 57 ILE N N 121.66 . 1 696 . 58 ALA H H 8.81 . 1 697 . 58 ALA HA H 5.62 . 1 698 . 58 ALA HB H 1.15 . 1 699 . 58 ALA C C 178.6 . 1 700 . 58 ALA CA C 49.8 . 1 701 . 58 ALA CB C 21.6 . 1 702 . 58 ALA N N 127.66 . 1 703 . 59 PHE H H 8.43 . 1 704 . 59 PHE HA H 4.98 . 1 705 . 59 PHE HB2 H 2.79 . 2 706 . 59 PHE HB3 H 3.37 . 2 707 . 59 PHE HD1 H 7.27 . 1 708 . 59 PHE HD2 H 7.27 . 1 709 . 59 PHE HE1 H 7.13 . 1 710 . 59 PHE HE2 H 7.13 . 1 711 . 59 PHE HZ H 6.85 . 1 712 . 59 PHE C C 176.5 . 1 713 . 59 PHE CA C 57.4 . 1 714 . 59 PHE CB C 39.4 . 1 715 . 59 PHE CD1 C 133.6 . 1 716 . 59 PHE CD2 C 133.6 . 1 717 . 59 PHE CE1 C 130.5 . 1 718 . 59 PHE CE2 C 130.5 . 1 719 . 59 PHE CZ C 128.8 . 1 720 . 59 PHE N N 118.76 . 1 721 . 60 VAL H H 8.01 . 1 722 . 60 VAL HA H 3.50 . 1 723 . 60 VAL HB H 1.87 . 1 724 . 60 VAL HG1 H 0.91 . 2 725 . 60 VAL HG2 H 0.88 . 2 726 . 60 VAL C C 178.4 . 1 727 . 60 VAL CA C 66.1 . 1 728 . 60 VAL CB C 32.2 . 1 729 . 60 VAL CG1 C 22.5 . 1 730 . 60 VAL CG2 C 20.8 . 1 731 . 60 VAL N N 125.86 . 1 732 . 61 ALA H H 9.70 . 1 733 . 61 ALA HA H 4.17 . 1 734 . 61 ALA HB H 1.52 . 1 735 . 61 ALA C C 179.8 . 1 736 . 61 ALA CA C 55.1 . 1 737 . 61 ALA CB C 17.8 . 1 738 . 61 ALA N N 121.96 . 1 739 . 62 THR H H 7.49 . 1 740 . 62 THR HA H 4.37 . 1 741 . 62 THR HB H 4.25 . 1 742 . 62 THR HG2 H 1.08 . 1 743 . 62 THR C C 176.2 . 1 744 . 62 THR CA C 61.1 . 1 745 . 62 THR CB C 70.0 . 1 746 . 62 THR CG2 C 22.0 . 1 747 . 62 THR N N 102.66 . 1 748 . 63 GLY H H 7.90 . 1 749 . 63 GLY HA2 H 4.06 . 2 750 . 63 GLY HA3 H 3.78 . 2 751 . 63 GLY C C 174.5 . 1 752 . 63 GLY CA C 46.3 . 1 753 . 63 GLY N N 112.46 . 1 754 . 64 THR H H 7.56 . 1 755 . 64 THR HA H 4.22 . 1 756 . 64 THR HB H 4.30 . 1 757 . 64 THR HG2 H 1.38 . 1 758 . 64 THR C C 172.9 . 1 759 . 64 THR CA C 62.8 . 1 760 . 64 THR CB C 69.5 . 1 761 . 64 THR CG2 C 21.3 . 1 762 . 64 THR N N 116.76 . 1 763 . 65 ASN H H 9.07 . 1 764 . 65 ASN HA H 4.84 . 1 765 . 65 ASN HB2 H 2.58 . 2 766 . 65 ASN HB3 H 2.77 . 2 767 . 65 ASN HD21 H 6.95 . 2 768 . 65 ASN HD22 H 7.26 . 2 769 . 65 ASN C C 173.9 . 1 770 . 65 ASN CA C 53.2 . 1 771 . 65 ASN CB C 40.3 . 1 772 . 65 ASN N N 129.66 . 1 773 . 65 ASN ND2 N 112.66 . 1 774 . 66 LEU H H 8.27 . 1 775 . 66 LEU HA H 4.73 . 1 776 . 66 LEU HB2 H 1.02 . 2 777 . 66 LEU HB3 H 1.45 . 2 778 . 66 LEU HG H 1.60 . 1 779 . 66 LEU HD1 H 1.00 . 2 780 . 66 LEU HD2 H 1.07 . 2 781 . 66 LEU C C 174.8 . 1 782 . 66 LEU CA C 53.4 . 1 783 . 66 LEU CB C 44.7 . 1 784 . 66 LEU CG C 27.0 . 1 785 . 66 LEU CD1 C 23.9 . 1 786 . 66 LEU CD2 C 26.9 . 1 787 . 66 LEU N N 124.86 . 1 788 . 67 SER H H 8.40 . 1 789 . 67 SER HA H 4.64 . 1 790 . 67 SER HB2 H 3.67 . 2 791 . 67 SER HB3 H 3.80 . 2 792 . 67 SER C C 173.7 . 1 793 . 67 SER CA C 57.0 . 1 794 . 67 SER CB C 62.1 . 1 795 . 67 SER N N 118.06 . 1 796 . 68 LEU H H 8.11 . 1 797 . 68 LEU HA H 4.16 . 1 798 . 68 LEU HB2 H 0.33 . 2 799 . 68 LEU HB3 H 0.66 . 2 800 . 68 LEU HG H 0.81 . 1 801 . 68 LEU HD1 H -0.43 . 1 802 . 68 LEU HD2 H 0.00 . 1 803 . 68 LEU C C 176.1 . 1 804 . 68 LEU CA C 53.8 . 1 805 . 68 LEU CB C 45.3 . 1 806 . 68 LEU CG C 25.8 . 1 807 . 68 LEU CD1 C 25.5 . 1 808 . 68 LEU CD2 C 23.8 . 1 809 . 68 LEU N N 125.66 . 1 810 . 69 GLN H H 7.89 . 1 811 . 69 GLN HA H 4.70 . 1 812 . 69 GLN HB2 H 1.89 . 1 813 . 69 GLN HB3 H 1.89 . 1 814 . 69 GLN HG2 H 2.18 . 1 815 . 69 GLN HG3 H 2.18 . 1 816 . 69 GLN HE21 H 6.82 . 2 817 . 69 GLN HE22 H 7.45 . 2 818 . 69 GLN C C 175.0 . 1 819 . 69 GLN CA C 53.7 . 1 820 . 69 GLN CB C 30.7 . 1 821 . 69 GLN CG C 34.1 . 1 822 . 69 GLN N N 119.66 . 1 823 . 69 GLN NE2 N 111.26 . 1 824 . 70 PHE H H 8.26 . 1 825 . 70 PHE HA H 5.31 . 1 826 . 70 PHE HB2 H 2.25 . 2 827 . 70 PHE HB3 H 3.39 . 2 828 . 70 PHE HD1 H 6.97 . 1 829 . 70 PHE HD2 H 6.97 . 1 830 . 70 PHE HE1 H 7.14 . 1 831 . 70 PHE HE2 H 7.14 . 1 832 . 70 PHE HZ H 6.56 . 1 833 . 70 PHE C C 172.8 . 1 834 . 70 PHE CA C 54.8 . 1 835 . 70 PHE CB C 37.8 . 1 836 . 70 PHE CD1 C 131.1 . 1 837 . 70 PHE CD2 C 131.1 . 1 838 . 70 PHE CE1 C 130.5 . 1 839 . 70 PHE CE2 C 130.5 . 1 840 . 70 PHE CZ C 129.1 . 1 841 . 70 PHE N N 128.16 . 1 842 . 71 PHE H H 7.39 . 1 843 . 71 PHE HA H 4.07 . 1 844 . 71 PHE HB2 H 2.20 . 2 845 . 71 PHE HB3 H 2.88 . 2 846 . 71 PHE HD1 H 7.04 . 1 847 . 71 PHE HD2 H 7.04 . 1 848 . 71 PHE HE1 H 6.75 . 1 849 . 71 PHE HE2 H 6.75 . 1 850 . 71 PHE CA C 53.7 . 1 851 . 71 PHE CB C 42.0 . 1 852 . 71 PHE CD1 C 131.9 . 1 853 . 71 PHE CD2 C 131.9 . 1 854 . 71 PHE CE1 C 130.8 . 1 855 . 71 PHE CE2 C 130.8 . 1 856 . 71 PHE N N 114.06 . 1 857 . 72 PRO HA H 4.30 . 1 858 . 72 PRO HB2 H 1.45 . 2 859 . 72 PRO HB3 H 1.72 . 2 860 . 72 PRO HG2 H 2.05 . 1 861 . 72 PRO HG3 H 2.05 . 1 862 . 72 PRO HD2 H 3.69 . 2 863 . 72 PRO HD3 H 3.86 . 2 864 . 72 PRO C C 177.3 . 1 865 . 72 PRO CA C 62.0 . 1 866 . 72 PRO CB C 31.9 . 1 867 . 72 PRO CG C 26.7 . 1 868 . 72 PRO CD C 49.7 . 1 869 . 73 ALA H H 9.01 . 1 870 . 73 ALA HA H 4.16 . 1 871 . 73 ALA HB H 1.39 . 1 872 . 73 ALA C C 178.8 . 1 873 . 73 ALA CA C 54.1 . 1 874 . 73 ALA CB C 17.6 . 1 875 . 73 ALA N N 125.16 . 1 876 . 74 SER H H 8.06 . 1 877 . 74 SER HA H 4.29 . 1 878 . 74 SER HB2 H 3.86 . 2 879 . 74 SER HB3 H 3.99 . 2 880 . 74 SER C C 175.0 . 1 881 . 74 SER CA C 58.4 . 1 882 . 74 SER CB C 62.9 . 1 883 . 74 SER N N 110.06 . 1 884 . 75 TRP H H 7.95 . 1 885 . 75 TRP HA H 4.67 . 1 886 . 75 TRP HB2 H 3.16 . 2 887 . 75 TRP HB3 H 3.28 . 2 888 . 75 TRP HD1 H 7.05 . 1 889 . 75 TRP HE1 H 10.1 . 1 890 . 75 TRP HE3 H 7.41 . 1 891 . 75 TRP HZ2 H 7.40 . 1 892 . 75 TRP HZ3 H 7.18 . 1 893 . 75 TRP HH2 H 7.12 . 1 894 . 75 TRP C C 176.2 . 1 895 . 75 TRP CA C 57.1 . 1 896 . 75 TRP CB C 29.1 . 1 897 . 75 TRP CD1 C 125.9 . 1 898 . 75 TRP CE3 C 120.9 . 1 899 . 75 TRP CZ2 C 114.6 . 1 900 . 75 TRP CZ3 C 124.8 . 1 901 . 75 TRP CH2 C 121.5 . 1 902 . 75 TRP N N 123.16 . 1 903 . 75 TRP NE1 N 129.16 . 1 904 . 76 GLN H H 8.15 . 1 905 . 76 GLN HA H 4.21 . 1 906 . 76 GLN HB2 H 1.86 . 1 907 . 76 GLN HB3 H 1.86 . 1 908 . 76 GLN HG2 H 2.11 . 1 909 . 76 GLN HG3 H 2.11 . 1 910 . 76 GLN HE21 H 7.43 . 1 911 . 76 GLN HE22 H 7.43 . 1 912 . 76 GLN C C 176.1 . 1 913 . 76 GLN CA C 55.3 . 1 914 . 76 GLN CB C 29.1 . 1 915 . 76 GLN CG C 33.6 . 1 916 . 76 GLN N N 121.36 . 1 917 . 76 GLN NE2 N 112.16 . 1 918 . 77 GLY H H 7.92 . 1 919 . 77 GLY HA2 H 3.55 . 2 920 . 77 GLY HA3 H 3.87 . 2 921 . 77 GLY C C 174.2 . 1 922 . 77 GLY CA C 45.6 . 1 923 . 77 GLY N N 108.06 . 1 924 . 78 GLU H H 8.29 . 1 925 . 78 GLU HA H 4.17 . 1 926 . 78 GLU HB2 H 1.86 . 2 927 . 78 GLU HB3 H 1.95 . 2 928 . 78 GLU HG2 H 2.12 . 1 929 . 78 GLU HG3 H 2.12 . 1 930 . 78 GLU C C 176.3 . 1 931 . 78 GLU CA C 56.4 . 1 932 . 78 GLU CB C 29.9 . 1 933 . 78 GLU CG C 35.9 . 1 934 . 78 GLU N N 120.96 . 1 935 . 79 GLN H H 8.23 . 1 936 . 79 GLN HA H 4.06 . 1 937 . 79 GLN HB2 H 1.89 . 1 938 . 79 GLN HB3 H 1.89 . 1 939 . 79 GLN HG2 H 2.12 . 1 940 . 79 GLN HG3 H 2.19 . 1 941 . 79 GLN HE21 H 7.31 . 2 942 . 79 GLN HE22 H 6.73 . 2 943 . 79 GLN C C 175.8 . 1 944 . 79 GLN CA C 55.7 . 1 945 . 79 GLN CB C 28.8 . 1 946 . 79 GLN CG C 33.7 . 1 947 . 79 GLN N N 120.16 . 1 948 . 79 GLN NE2 N 111.96 . 1 949 . 80 ARG H H 7.96 . 1 950 . 80 ARG HA H 4.04 . 1 951 . 80 ARG HB2 H 1.52 . 2 952 . 80 ARG HB3 H 1.29 . 2 953 . 80 ARG HG2 H 1.26 . 2 954 . 80 ARG HG3 H 1.36 . 2 955 . 80 ARG HD2 H 2.93 . 1 956 . 80 ARG HD3 H 2.93 . 1 957 . 80 ARG HE H 7.10 . 1 958 . 80 ARG C C 175.4 . 1 959 . 80 ARG CA C 55.8 . 1 960 . 80 ARG CB C 29.6 . 1 961 . 80 ARG CG C 27.0 . 1 962 . 80 ARG CD C 42.9 . 1 963 . 80 ARG CZ C 159.4 . 1 964 . 80 ARG N N 122.16 . 1 965 . 80 ARG NE N 84.46 . 1 966 . 81 GLN H H 7.95 . 1 967 . 81 GLN HA H 4.48 . 1 968 . 81 GLN HB2 H 1.89 . 2 969 . 81 GLN HB3 H 2.11 . 2 970 . 81 GLN HG2 H 2.19 . 1 971 . 81 GLN HG3 H 2.19 . 1 972 . 81 GLN HE21 H 7.32 . 2 973 . 81 GLN HE22 H 6.73 . 2 974 . 81 GLN C C 174.9 . 1 975 . 81 GLN CA C 54.9 . 1 976 . 81 GLN CB C 30.8 . 1 977 . 81 GLN CG C 33.7 . 1 978 . 81 GLN CD C 180.1 . 1 979 . 81 GLN N N 119.86 . 1 980 . 81 GLN NE2 N 111.76 . 1 981 . 82 THR H H 8.30 . 1 982 . 82 THR HA H 4.81 . 1 983 . 82 THR HB H 4.20 . 1 984 . 82 THR HG2 H 1.40 . 1 985 . 82 THR CA C 59.7 . 1 986 . 82 THR CB C 69.4 . 1 987 . 82 THR CG2 C 21.6 . 1 988 . 82 THR N N 115.56 . 1 989 . 83 PRO HA H 4.64 . 1 990 . 83 PRO HB2 H 1.92 . 2 991 . 83 PRO HB3 H 2.29 . 2 992 . 83 PRO HG2 H 1.85 . 2 993 . 83 PRO HG3 H 2.09 . 2 994 . 83 PRO HD2 H 3.80 . 2 995 . 83 PRO HD3 H 4.00 . 2 996 . 83 PRO C C 177.2 . 1 997 . 83 PRO CA C 62.9 . 1 998 . 83 PRO CB C 33.0 . 1 999 . 83 PRO CG C 27.8 . 1 1000 . 83 PRO CD C 51.1 . 1 1001 . 84 SER H H 9.01 . 1 1002 . 84 SER HA H 4.75 . 1 1003 . 84 SER HB2 H 4.15 . 2 1004 . 84 SER HB3 H 4.45 . 2 1005 . 84 SER C C 175.7 . 1 1006 . 84 SER CA C 56.6 . 1 1007 . 84 SER CB C 64.9 . 1 1008 . 84 SER N N 118.66 . 1 1009 . 85 ARG H H 8.92 . 1 1010 . 85 ARG HA H 4.42 . 1 1011 . 85 ARG HB2 H 1.88 . 1 1012 . 85 ARG HB3 H 1.88 . 1 1013 . 85 ARG HG2 H 1.74 . 1 1014 . 85 ARG HG3 H 1.74 . 1 1015 . 85 ARG HD2 H 3.19 . 1 1016 . 85 ARG HD3 H 3.19 . 1 1017 . 85 ARG HE H 7.19 . 1 1018 . 85 ARG C C 176.1 . 1 1019 . 85 ARG CA C 57.9 . 1 1020 . 85 ARG CB C 29.4 . 1 1021 . 85 ARG CG C 27.3 . 1 1022 . 85 ARG CD C 43.4 . 1 1023 . 85 ARG CZ C 159.6 . 1 1024 . 85 ARG N N 122.76 . 1 1025 . 85 ARG NE N 84.96 . 1 1026 . 86 GLU H H 7.93 . 1 1027 . 86 GLU HA H 3.80 . 1 1028 . 86 GLU HB2 H 1.63 . 2 1029 . 86 GLU HB3 H 1.94 . 2 1030 . 86 GLU HG2 H 2.03 . 2 1031 . 86 GLU HG3 H 1.52 . 2 1032 . 86 GLU C C 176.8 . 1 1033 . 86 GLU CA C 58.2 . 1 1034 . 86 GLU CB C 29.0 . 1 1035 . 86 GLU CG C 36.0 . 1 1036 . 86 GLU N N 115.76 . 1 1037 . 87 TYR H H 7.47 . 1 1038 . 87 TYR HA H 4.40 . 1 1039 . 87 TYR HB2 H 2.75 . 2 1040 . 87 TYR HB3 H 3.27 . 2 1041 . 87 TYR HD1 H 7.12 . 1 1042 . 87 TYR HD2 H 7.12 . 1 1043 . 87 TYR HE1 H 6.82 . 1 1044 . 87 TYR HE2 H 6.82 . 1 1045 . 87 TYR C C 174.5 . 1 1046 . 87 TYR CA C 59.8 . 1 1047 . 87 TYR CB C 40.7 . 1 1048 . 87 TYR CD1 C 133.3 . 1 1049 . 87 TYR CD2 C 133.3 . 1 1050 . 87 TYR CE1 C 118.1 . 1 1051 . 87 TYR CE2 C 118.1 . 1 1052 . 87 TYR N N 116.96 . 1 1053 . 88 VAL H H 7.83 . 1 1054 . 88 VAL HA H 4.27 . 1 1055 . 88 VAL HB H 1.72 . 1 1056 . 88 VAL HG1 H 0.52 . 2 1057 . 88 VAL HG2 H 0.80 . 2 1058 . 88 VAL C C 173.8 . 1 1059 . 88 VAL CA C 62.1 . 1 1060 . 88 VAL CB C 34.1 . 1 1061 . 88 VAL CG1 C 20.7 . 2 1062 . 88 VAL CG2 C 21.1 . 2 1063 . 88 VAL N N 116.96 . 1 1064 . 89 ASP H H 8.99 . 1 1065 . 89 ASP HA H 5.21 . 1 1066 . 89 ASP HB2 H 3.11 . 2 1067 . 89 ASP HB3 H 3.19 . 2 1068 . 89 ASP C C 178.0 . 1 1069 . 89 ASP CA C 52.5 . 1 1070 . 89 ASP CB C 41.9 . 1 1071 . 89 ASP N N 124.96 . 1 1072 . 90 LEU H H 9.57 . 1 1073 . 90 LEU HA H 4.72 . 1 1074 . 90 LEU HB2 H 1.73 . 2 1075 . 90 LEU HB3 H 1.89 . 2 1076 . 90 LEU HG H 1.57 . 1 1077 . 90 LEU HD1 H 0.91 . 2 1078 . 90 LEU HD2 H 0.92 . 2 1079 . 90 LEU C C 177.2 . 1 1080 . 90 LEU CA C 55.5 . 1 1081 . 90 LEU CB C 42.6 . 1 1082 . 90 LEU CG C 28.0 . 1 1083 . 90 LEU CD1 C 24.6 . 2 1084 . 90 LEU CD2 C 25.3 . 2 1085 . 90 LEU N N 128.96 . 1 1086 . 91 GLU H H 8.64 . 1 1087 . 91 GLU HA H 4.34 . 1 1088 . 91 GLU HB2 H 1.86 . 1 1089 . 91 GLU HB3 H 2.20 . 1 1090 . 91 GLU HG2 H 2.21 . 1 1091 . 91 GLU HG3 H 2.21 . 1 1092 . 91 GLU C C 176.1 . 1 1093 . 91 GLU CA C 56.4 . 1 1094 . 91 GLU CB C 31.1 . 1 1095 . 91 GLU CG C 36.4 . 1 1096 . 91 GLU N N 119.66 . 1 1097 . 92 ARG H H 7.76 . 1 1098 . 92 ARG HA H 3.78 . 1 1099 . 92 ARG HB2 H 1.47 . 2 1100 . 92 ARG HB3 H 1.80 . 2 1101 . 92 ARG HG2 H 0.98 . 2 1102 . 92 ARG HG3 H 1.28 . 2 1103 . 92 ARG HD2 H 2.08 . 2 1104 . 92 ARG HD3 H 2.26 . 2 1105 . 92 ARG HE H 6.66 . 1 1106 . 92 ARG C C 176.5 . 1 1107 . 92 ARG CA C 58.7 . 1 1108 . 92 ARG CB C 30.1 . 1 1109 . 92 ARG CG C 25.5 . 1 1110 . 92 ARG CD C 42.7 . 1 1111 . 92 ARG CZ C 158.9 . 1 1112 . 92 ARG N N 124.46 . 1 1113 . 92 ARG NE N 83.66 . 1 1114 . 93 GLU H H 8.57 . 1 1115 . 93 GLU HA H 4.28 . 1 1116 . 93 GLU HB2 H 1.77 . 1 1117 . 93 GLU HB3 H 1.82 . 1 1118 . 93 GLU HG2 H 2.09 . 1 1119 . 93 GLU HG3 H 2.09 . 1 1120 . 93 GLU C C 174.0 . 1 1121 . 93 GLU CA C 55.3 . 1 1122 . 93 GLU CB C 33.3 . 1 1123 . 93 GLU CG C 36.2 . 1 1124 . 93 GLU N N 118.06 . 1 1125 . 94 ALA H H 8.51 . 1 1126 . 94 ALA HA H 4.26 . 1 1127 . 94 ALA HB H 1.37 . 1 1128 . 94 ALA C C 179.0 . 1 1129 . 94 ALA CA C 53.3 . 1 1130 . 94 ALA CB C 17.8 . 1 1131 . 94 ALA N N 128.26 . 1 1132 . 95 GLY H H 8.81 . 1 1133 . 95 GLY HA2 H 4.43 . 2 1134 . 95 GLY HA3 H 3.77 . 2 1135 . 95 GLY C C 173.6 . 1 1136 . 95 GLY CA C 45.0 . 1 1137 . 95 GLY N N 110.06 . 1 1138 . 96 LYS H H 8.25 . 1 1139 . 96 LYS HA H 5.46 . 1 1140 . 96 LYS HB2 H 1.54 . 2 1141 . 96 LYS HB3 H 1.65 . 2 1142 . 96 LYS HG2 H 1.08 . 2 1143 . 96 LYS HG3 H 1.31 . 2 1144 . 96 LYS HD2 H 0.68 . 2 1145 . 96 LYS HD3 H 1.06 . 2 1146 . 96 LYS HE2 H 1.96 . 2 1147 . 96 LYS HE3 H 2.28 . 2 1148 . 96 LYS C C 175.3 . 1 1149 . 96 LYS CA C 54.6 . 1 1150 . 96 LYS CB C 38.5 . 1 1151 . 96 LYS CG C 25.7 . 1 1152 . 96 LYS CD C 29.7 . 1 1153 . 96 LYS CE C 41.7 . 1 1154 . 96 LYS N N 119.66 . 1 1155 . 97 VAL H H 8.81 . 1 1156 . 97 VAL HA H 5.01 . 1 1157 . 97 VAL HB H 2.04 . 1 1158 . 97 VAL HG1 H 0.80 . 2 1159 . 97 VAL HG2 H 1.19 . 2 1160 . 97 VAL C C 172.3 . 1 1161 . 97 VAL CA C 58.9 . 1 1162 . 97 VAL CB C 35.6 . 1 1163 . 97 VAL CG1 C 23.1 . 2 1164 . 97 VAL CG2 C 19.6 . 2 1165 . 97 VAL N N 119.06 . 1 1166 . 98 TYR H H 8.38 . 1 1167 . 98 TYR HA H 4.98 . 1 1168 . 98 TYR HB2 H 2.93 . 2 1169 . 98 TYR HB3 H 3.07 . 2 1170 . 98 TYR HD1 H 7.33 . 1 1171 . 98 TYR HD2 H 7.33 . 1 1172 . 98 TYR HE1 H 6.56 . 1 1173 . 98 TYR HE2 H 6.56 . 1 1174 . 98 TYR C C 175.9 . 1 1175 . 98 TYR CA C 58.3 . 1 1176 . 98 TYR CB C 40.1 . 1 1177 . 98 TYR CD1 C 133.6 . 1 1178 . 98 TYR CD2 C 133.6 . 1 1179 . 98 TYR CE1 C 117.8 . 1 1180 . 98 TYR CE2 C 117.8 . 1 1181 . 98 TYR N N 127.16 . 1 1182 . 99 LEU H H 9.22 . 1 1183 . 99 LEU HA H 5.24 . 1 1184 . 99 LEU HB2 H 1.23 . 2 1185 . 99 LEU HB3 H 1.81 . 2 1186 . 99 LEU HG H 1.34 . 1 1187 . 99 LEU HD1 H 0.01 . 2 1188 . 99 LEU HD2 H 0.67 . 2 1189 . 99 LEU C C 176.6 . 1 1190 . 99 LEU CA C 53.9 . 1 1191 . 99 LEU CB C 47.7 . 1 1192 . 99 LEU CG C 26.3 . 1 1193 . 99 LEU CD1 C 23.3 . 2 1194 . 99 LEU CD2 C 24.6 . 2 1195 . 99 LEU N N 126.26 . 1 1196 . 100 LYS H H 8.49 . 1 1197 . 100 LYS HA H 5.62 . 1 1198 . 100 LYS HB2 H 1.74 . 2 1199 . 100 LYS HB3 H 1.85 . 2 1200 . 100 LYS HG2 H 1.43 . 2 1201 . 100 LYS HG3 H 1.18 . 2 1202 . 100 LYS HD2 H 1.27 . 2 1203 . 100 LYS HD3 H 1.49 . 2 1204 . 100 LYS HE2 H 2.33 . 2 1205 . 100 LYS HE3 H 2.44 . 2 1206 . 100 LYS C C 174.0 . 1 1207 . 100 LYS CA C 55.4 . 1 1208 . 100 LYS CB C 36.4 . 1 1209 . 100 LYS CG C 25.7 . 1 1210 . 100 LYS CD C 30.0 . 1 1211 . 100 LYS CE C 41.2 . 1 1212 . 100 LYS N N 122.76 . 1 1213 . 101 ALA H H 9.92 . 1 1214 . 101 ALA HA H 5.61 . 1 1215 . 101 ALA HB H 1.49 . 1 1216 . 101 ALA CA C 49.2 . 1 1217 . 101 ALA CB C 24.5 . 1 1218 . 101 ALA N N 125.46 . 1 1219 . 102 PRO HA H 5.38 . 1 1220 . 102 PRO HB2 H 2.12 . 2 1221 . 102 PRO HB3 H 2.52 . 2 1222 . 102 PRO HG2 H 2.51 . 2 1223 . 102 PRO HG3 H 2.34 . 2 1224 . 102 PRO HD2 H 3.91 . 2 1225 . 102 PRO HD3 H 4.38 . 2 1226 . 102 PRO C C 177.2 . 1 1227 . 102 PRO CA C 62.2 . 1 1228 . 102 PRO CB C 32.2 . 1 1229 . 102 PRO CG C 28.0 . 1 1230 . 102 PRO CD C 51.4 . 1 1231 . 103 MET H H 9.20 . 1 1232 . 103 MET HA H 5.04 . 1 1233 . 103 MET HB2 H 2.00 . 2 1234 . 103 MET HB3 H 2.36 . 2 1235 . 103 MET HG2 H 2.35 . 2 1236 . 103 MET HG3 H 2.57 . 2 1237 . 103 MET HE H 2.12 . 1 1238 . 103 MET C C 173.6 . 1 1239 . 103 MET CA C 55.5 . 1 1240 . 103 MET CB C 36.7 . 1 1241 . 103 MET CG C 31.0 . 1 1242 . 103 MET CE C 17.7 . 1 1243 . 103 MET N N 119.66 . 1 1244 . 104 ILE H H 8.43 . 1 1245 . 104 ILE HA H 4.79 . 1 1246 . 104 ILE HB H 1.70 . 1 1247 . 104 ILE HG12 H 1.16 . 2 1248 . 104 ILE HG13 H 1.58 . 2 1249 . 104 ILE HG2 H 0.72 . 1 1250 . 104 ILE HD1 H 0.70 . 1 1251 . 104 ILE C C 175.6 . 1 1252 . 104 ILE CA C 61.5 . 1 1253 . 104 ILE CB C 37.8 . 1 1254 . 104 ILE CG1 C 27.4 . 1 1255 . 104 ILE CG2 C 17.5 . 1 1256 . 104 ILE CD1 C 13.5 . 1 1257 . 104 ILE N N 120.66 . 1 1258 . 105 LEU H H 9.22 . 1 1259 . 105 LEU HA H 4.90 . 1 1260 . 105 LEU HB2 H 1.56 . 2 1261 . 105 LEU HB3 H 1.98 . 2 1262 . 105 LEU HG H 1.68 . 1 1263 . 105 LEU HD1 H 1.19 . 2 1264 . 105 LEU HD2 H 1.18 . 2 1265 . 105 LEU C C 175.0 . 1 1266 . 105 LEU CA C 52.9 . 1 1267 . 105 LEU CB C 46.0 . 1 1268 . 105 LEU CG C 27.5 . 1 1269 . 105 LEU CD1 C 26.0 . 2 1270 . 105 LEU CD2 C 24.5 . 2 1271 . 105 LEU N N 130.06 . 1 1272 . 106 ASN H H 9.48 . 1 1273 . 106 ASN HA H 4.26 . 1 1274 . 106 ASN HB2 H 2.67 . 2 1275 . 106 ASN HB3 H 3.01 . 2 1276 . 106 ASN HD21 H 5.95 . 2 1277 . 106 ASN HD22 H 5.69 . 2 1278 . 106 ASN C C 175.3 . 1 1279 . 106 ASN CA C 53.6 . 1 1280 . 106 ASN CB C 37.9 . 1 1281 . 106 ASN CG C 177.2 . 1 1282 . 106 ASN N N 124.66 . 1 1283 . 106 ASN ND2 N 109.36 . 1 1284 . 107 GLY H H 8.49 . 1 1285 . 107 GLY HA2 H 3.77 . 2 1286 . 107 GLY HA3 H 4.15 . 2 1287 . 107 GLY C C 172.8 . 1 1288 . 107 GLY CA C 45.7 . 1 1289 . 107 GLY N N 101.66 . 1 1290 . 108 VAL H H 7.86 . 1 1291 . 108 VAL HA H 4.52 . 1 1292 . 108 VAL HB H 2.31 . 1 1293 . 108 VAL HG1 H 0.90 . 2 1294 . 108 VAL HG2 H 0.88 . 2 1295 . 108 VAL C C 175.4 . 1 1296 . 108 VAL CA C 60.6 . 1 1297 . 108 VAL CB C 34.0 . 1 1298 . 108 VAL CG1 C 21.9 . 2 1299 . 108 VAL CG2 C 22.7 . 2 1300 . 108 VAL N N 119.46 . 1 1301 . 109 CYS H H 8.74 . 1 1302 . 109 CYS HA H 4.70 . 1 1303 . 109 CYS HB2 H 2.83 . 1 1304 . 109 CYS HB3 H 2.92 . 1 1305 . 109 CYS C C 173.5 . 1 1306 . 109 CYS CA C 60.2 . 1 1307 . 109 CYS CB C 27.6 . 1 1308 . 109 CYS N N 125.96 . 1 1309 . 110 VAL H H 9.08 . 1 1310 . 110 VAL HA H 5.22 . 1 1311 . 110 VAL HB H 2.40 . 1 1312 . 110 VAL HG1 H 1.13 . 2 1313 . 110 VAL HG2 H 1.14 . 2 1314 . 110 VAL C C 175.0 . 1 1315 . 110 VAL CA C 58.4 . 1 1316 . 110 VAL CB C 36.5 . 1 1317 . 110 VAL CG1 C 20.0 . 2 1318 . 110 VAL CG2 C 23.0 . 2 1319 . 110 VAL N N 116.86 . 1 1320 . 111 ILE H H 9.64 . 1 1321 . 111 ILE HA H 4.57 . 1 1322 . 111 ILE HB H 1.67 . 1 1323 . 111 ILE HG12 H 1.48 . 2 1324 . 111 ILE HG13 H 0.98 . 2 1325 . 111 ILE HG2 H 0.84 . 1 1326 . 111 ILE HD1 H 0.80 . 1 1327 . 111 ILE C C 174.9 . 1 1328 . 111 ILE CA C 60.2 . 1 1329 . 111 ILE CB C 40.5 . 1 1330 . 111 ILE CG1 C 28.0 . 1 1331 . 111 ILE CG2 C 18.7 . 1 1332 . 111 ILE CD1 C 13.6 . 1 1333 . 111 ILE N N 122.26 . 1 1334 . 112 TRP H H 9.17 . 1 1335 . 112 TRP HA H 5.05 . 1 1336 . 112 TRP HB2 H 2.94 . 2 1337 . 112 TRP HB3 H 3.81 . 2 1338 . 112 TRP HD1 H 6.98 . 1 1339 . 112 TRP HE1 H 8.75 . 1 1340 . 112 TRP HE3 H 7.44 . 1 1341 . 112 TRP HZ2 H 6.76 . 1 1342 . 112 TRP HZ3 H 6.85 . 1 1343 . 112 TRP HH2 H 6.44 . 1 1344 . 112 TRP C C 175.6 . 1 1345 . 112 TRP CA C 57.2 . 1 1346 . 112 TRP CB C 31.5 . 1 1347 . 112 TRP CD1 C 125.7 . 1 1348 . 112 TRP CE3 C 120.4 . 1 1349 . 112 TRP CZ2 C 113.3 . 1 1350 . 112 TRP CZ3 C 121.7 . 1 1351 . 112 TRP CH2 C 122.0 . 1 1352 . 112 TRP N N 130.66 . 1 1353 . 112 TRP NE1 N 126.66 . 1 1354 . 113 LYS H H 8.53 . 1 1355 . 113 LYS HA H 5.22 . 1 1356 . 113 LYS HB2 H 1.61 . 2 1357 . 113 LYS HB3 H 1.72 . 2 1358 . 113 LYS HG2 H 1.38 . 1 1359 . 113 LYS HG3 H 1.38 . 1 1360 . 113 LYS HD2 H 1.57 . 1 1361 . 113 LYS HD3 H 1.57 . 1 1362 . 113 LYS HE2 H 2.75 . 1 1363 . 113 LYS HE3 H 2.75 . 1 1364 . 113 LYS C C 174.4 . 1 1365 . 113 LYS CA C 54.6 . 1 1366 . 113 LYS CB C 36.3 . 1 1367 . 113 LYS CG C 25.0 . 1 1368 . 113 LYS CD C 29.8 . 1 1369 . 113 LYS CE C 41.9 . 1 1370 . 113 LYS N N 127.46 . 1 1371 . 114 GLY H H 7.99 . 1 1372 . 114 GLY HA2 H 4.22 . 2 1373 . 114 GLY HA3 H 3.47 . 2 1374 . 114 GLY C C 170.0 . 1 1375 . 114 GLY CA C 46.2 . 1 1376 . 114 GLY N N 108.36 . 1 1377 . 115 TRP H H 8.25 . 1 1378 . 115 TRP HA H 5.68 . 1 1379 . 115 TRP HB2 H 1.87 . 2 1380 . 115 TRP HB3 H 2.32 . 2 1381 . 115 TRP HD1 H 7.06 . 1 1382 . 115 TRP HE1 H 10.5 . 1 1383 . 115 TRP HE3 H 7.40 . 1 1384 . 115 TRP HZ2 H 7.40 . 1 1385 . 115 TRP HZ3 H 7.18 . 1 1386 . 115 TRP HH2 H 7.05 . 1 1387 . 115 TRP C C 174.1 . 1 1388 . 115 TRP CA C 53.1 . 1 1389 . 115 TRP CB C 31.1 . 1 1390 . 115 TRP CD1 C 128.8 . 1 1391 . 115 TRP CE3 C 121.5 . 1 1392 . 115 TRP CZ2 C 114.9 . 1 1393 . 115 TRP CZ3 C 124.0 . 1 1394 . 115 TRP CH2 C 120.4 . 1 1395 . 115 TRP N N 115.66 . 1 1396 . 115 TRP NE1 N 130.26 . 1 1397 . 116 ILE H H 8.37 . 1 1398 . 116 ILE HA H 4.34 . 1 1399 . 116 ILE HB H 1.67 . 1 1400 . 116 ILE HG12 H 1.14 . 1 1401 . 116 ILE HG13 H 1.14 . 1 1402 . 116 ILE HG2 H 0.06 . 1 1403 . 116 ILE HD1 H 0.29 . 1 1404 . 116 ILE C C 175.9 . 1 1405 . 116 ILE CA C 56.3 . 1 1406 . 116 ILE CB C 40.3 . 1 1407 . 116 ILE CG1 C 26.1 . 1 1408 . 116 ILE CG2 C 17.3 . 1 1409 . 116 ILE CD1 C 9.62 . 1 1410 . 116 ILE N N 116.16 . 1 1411 . 117 ASP H H 9.40 . 1 1412 . 117 ASP HA H 4.97 . 1 1413 . 117 ASP HB2 H 3.02 . 2 1414 . 117 ASP HB3 H 3.18 . 2 1415 . 117 ASP C C 176.3 . 1 1416 . 117 ASP CA C 54.4 . 1 1417 . 117 ASP CB C 43.7 . 1 1418 . 117 ASP N N 127.46 . 1 1419 . 118 LEU H H 8.71 . 1 1420 . 118 LEU HA H 3.83 . 1 1421 . 118 LEU HB2 H 1.48 . 1 1422 . 118 LEU HB3 H 1.48 . 1 1423 . 118 LEU HG H 1.45 . 1 1424 . 118 LEU HD1 H 0.80 . 2 1425 . 118 LEU HD2 H 0.91 . 2 1426 . 118 LEU C C 176.8 . 1 1427 . 118 LEU CA C 56.8 . 1 1428 . 118 LEU CB C 41.2 . 1 1429 . 118 LEU CG C 27.3 . 1 1430 . 118 LEU CD1 C 25.5 . 2 1431 . 118 LEU CD2 C 22.5 . 2 1432 . 118 LEU N N 126.86 . 1 1433 . 119 HIS H H 8.68 . 1 1434 . 119 HIS HA H 4.80 . 1 1435 . 119 HIS HB2 H 3.33 . 1 1436 . 119 HIS HB3 H 3.33 . 1 1437 . 119 HIS HD2 H 7.17 . 1 1438 . 119 HIS HE1 H 8.18 . 1 1439 . 119 HIS C C 177.0 . 1 1440 . 119 HIS CA C 57.1 . 1 1441 . 119 HIS CB C 29.9 . 1 1442 . 119 HIS CD2 C 119.7 . 1 1443 . 119 HIS CE1 C 127.6 . 1 1444 . 119 HIS N N 115.46 . 1 1445 . 120 ARG H H 9.11 . 1 1446 . 120 ARG HA H 4.15 . 1 1447 . 120 ARG HB2 H 2.11 . 1 1448 . 120 ARG HB3 H 2.11 . 1 1449 . 120 ARG HG2 H 1.71 . 1 1450 . 120 ARG HG3 H 1.71 . 1 1451 . 120 ARG HD2 H 3.13 . 2 1452 . 120 ARG HD3 H 3.49 . 2 1453 . 120 ARG HE H 8.61 . 1 1454 . 120 ARG C C 178.3 . 1 1455 . 120 ARG CA C 58.2 . 1 1456 . 120 ARG CB C 34.0 . 1 1457 . 120 ARG CG C 28.1 . 1 1458 . 120 ARG CD C 43.2 . 1 1459 . 120 ARG CZ C 159.9 . 1 1460 . 120 ARG N N 119.06 . 1 1461 . 120 ARG NE N 84.06 . 1 1462 . 121 LEU H H 8.83 . 1 1463 . 121 LEU HA H 3.53 . 1 1464 . 121 LEU HB2 H 1.49 . 2 1465 . 121 LEU HB3 H 2.45 . 2 1466 . 121 LEU HG H 1.27 . 1 1467 . 121 LEU HD1 H 0.32 . 2 1468 . 121 LEU HD2 H 0.63 . 2 1469 . 121 LEU C C 173.1 . 1 1470 . 121 LEU CA C 55.5 . 1 1471 . 121 LEU CB C 38.0 . 1 1472 . 121 LEU CG C 25.8 . 1 1473 . 121 LEU CD1 C 22.8 . 2 1474 . 121 LEU CD2 C 26.2 . 2 1475 . 121 LEU N N 109.76 . 1 1476 . 122 ASP H H 7.57 . 1 1477 . 122 ASP HA H 4.90 . 1 1478 . 122 ASP HB2 H 2.77 . 2 1479 . 122 ASP HB3 H 3.32 . 2 1480 . 122 ASP C C 173.7 . 1 1481 . 122 ASP CA C 51.6 . 1 1482 . 122 ASP CB C 43.5 . 1 1483 . 122 ASP N N 116.26 . 1 1484 . 123 GLY H H 7.88 . 1 1485 . 123 GLY HA2 H 4.13 . 2 1486 . 123 GLY HA3 H 3.28 . 2 1487 . 123 GLY C C 174.3 . 1 1488 . 123 GLY CA C 46.4 . 1 1489 . 123 GLY N N 105.06 . 1 1490 . 124 MET H H 5.88 . 1 1491 . 124 MET HA H 5.17 . 1 1492 . 124 MET HB2 H 1.36 . 2 1493 . 124 MET HB3 H 1.50 . 2 1494 . 124 MET HG2 H 2.66 . 2 1495 . 124 MET HG3 H 1.99 . 2 1496 . 124 MET HE H 2.00 . 1 1497 . 124 MET C C 174.7 . 1 1498 . 124 MET CA C 52.5 . 1 1499 . 124 MET CB C 36.6 . 1 1500 . 124 MET CG C 33.0 . 1 1501 . 124 MET CE C 17.7 . 1 1502 . 124 MET N N 120.86 . 1 1503 . 125 GLY H H 9.24 . 1 1504 . 125 GLY HA2 H 4.68 . 2 1505 . 125 GLY HA3 H 3.40 . 2 1506 . 125 GLY C C 171.2 . 1 1507 . 125 GLY CA C 46.2 . 1 1508 . 125 GLY N N 108.56 . 1 1509 . 126 CYS H H 8.84 . 1 1510 . 126 CYS HA H 5.00 . 1 1511 . 126 CYS HB2 H 2.78 . 2 1512 . 126 CYS HB3 H 2.92 . 2 1513 . 126 CYS C C 171.2 . 1 1514 . 126 CYS CA C 56.7 . 1 1515 . 126 CYS CB C 30.4 . 1 1516 . 126 CYS N N 111.56 . 1 1517 . 127 LEU H H 8.39 . 1 1518 . 127 LEU HA H 5.51 . 1 1519 . 127 LEU HB2 H 1.45 . 2 1520 . 127 LEU HB3 H 1.85 . 2 1521 . 127 LEU HG H 1.88 . 1 1522 . 127 LEU HD1 H 1.12 . 2 1523 . 127 LEU HD2 H 1.32 . 2 1524 . 127 LEU C C 176.6 . 1 1525 . 127 LEU CA C 53.0 . 1 1526 . 127 LEU CB C 45.6 . 1 1527 . 127 LEU CG C 26.5 . 1 1528 . 127 LEU CD1 C 27.8 . 2 1529 . 127 LEU CD2 C 23.5 . 2 1530 . 127 LEU N N 114.26 . 1 1531 . 128 GLU H H 9.05 . 1 1532 . 128 GLU HA H 4.68 . 1 1533 . 128 GLU HB2 H 1.86 . 2 1534 . 128 GLU HB3 H 1.98 . 2 1535 . 128 GLU HG2 H 2.17 . 2 1536 . 128 GLU HG3 H 2.29 . 2 1537 . 128 GLU C C 174.8 . 1 1538 . 128 GLU CA C 53.8 . 1 1539 . 128 GLU CB C 33.2 . 1 1540 . 128 GLU CG C 36.3 . 1 1541 . 128 GLU N N 118.76 . 1 1542 . 129 PHE H H 8.56 . 1 1543 . 129 PHE HA H 3.74 . 1 1544 . 129 PHE HB2 H 1.58 . 2 1545 . 129 PHE HB3 H 2.33 . 2 1546 . 129 PHE HD1 H 6.80 . 1 1547 . 129 PHE HD2 H 6.80 . 1 1548 . 129 PHE HE1 H 7.11 . 1 1549 . 129 PHE HE2 H 7.11 . 1 1550 . 129 PHE C C 174.8 . 1 1551 . 129 PHE CA C 57.8 . 1 1552 . 129 PHE CB C 38.2 . 1 1553 . 129 PHE CD1 C 130.8 . 1 1554 . 129 PHE CD2 C 130.8 . 1 1555 . 129 PHE CE1 C 130.5 . 1 1556 . 129 PHE CE2 C 130.5 . 1 1557 . 129 PHE N N 124.86 . 1 1558 . 130 ASP H H 7.65 . 1 1559 . 130 ASP HA H 4.42 . 1 1560 . 130 ASP HB2 H 1.76 . 2 1561 . 130 ASP HB3 H 2.51 . 2 1562 . 130 ASP C C 173.4 . 1 1563 . 130 ASP CA C 50.8 . 1 1564 . 130 ASP CB C 39.5 . 1 1565 . 130 ASP N N 129.56 . 1 1566 . 131 GLU H H 7.22 . 1 1567 . 131 GLU HA H 3.39 . 1 1568 . 131 GLU HB2 H 1.96 . 1 1569 . 131 GLU HB3 H 1.96 . 1 1570 . 131 GLU HG2 H 2.24 . 1 1571 . 131 GLU HG3 H 2.24 . 1 1572 . 131 GLU C C 178.0 . 1 1573 . 131 GLU CA C 59.1 . 1 1574 . 131 GLU CB C 30.0 . 1 1575 . 131 GLU CG C 35.9 . 1 1576 . 131 GLU N N 122.76 . 1 1577 . 132 GLU H H 8.40 . 1 1578 . 132 GLU HA H 3.99 . 1 1579 . 132 GLU HB2 H 1.95 . 2 1580 . 132 GLU HB3 H 2.03 . 2 1581 . 132 GLU HG2 H 2.18 . 2 1582 . 132 GLU HG3 H 2.27 . 2 1583 . 132 GLU C C 178.9 . 1 1584 . 132 GLU CA C 59.3 . 1 1585 . 132 GLU CB C 29.2 . 1 1586 . 132 GLU CG C 36.2 . 1 1587 . 132 GLU N N 118.46 . 1 1588 . 133 ARG H H 7.29 . 1 1589 . 133 ARG HA H 3.97 . 1 1590 . 133 ARG HB2 H 1.31 . 1 1591 . 133 ARG HB3 H 1.71 . 1 1592 . 133 ARG HG2 H 1.33 . 1 1593 . 133 ARG HG3 H 1.33 . 1 1594 . 133 ARG HD2 H 3.10 . 1 1595 . 133 ARG HD3 H 3.10 . 1 1596 . 133 ARG HE H 7.74 . 1 1597 . 133 ARG C C 178.4 . 1 1598 . 133 ARG CA C 58.2 . 1 1599 . 133 ARG CB C 31.4 . 1 1600 . 133 ARG CG C 26.9 . 1 1601 . 133 ARG CD C 44.1 . 1 1602 . 133 ARG CZ C 159.7 . 1 1603 . 133 ARG N N 120.46 . 1 1604 . 133 ARG NE N 85.56 . 1 1605 . 134 ALA H H 8.41 . 1 1606 . 134 ALA HA H 4.20 . 1 1607 . 134 ALA HB H 1.37 . 1 1608 . 134 ALA C C 179.9 . 1 1609 . 134 ALA CA C 55.6 . 1 1610 . 134 ALA CB C 19.5 . 1 1611 . 134 ALA N N 120.46 . 1 1612 . 135 GLN H H 7.66 . 1 1613 . 135 GLN HA H 4.19 . 1 1614 . 135 GLN HB2 H 2.17 . 1 1615 . 135 GLN HB3 H 2.17 . 1 1616 . 135 GLN HG2 H 2.50 . 1 1617 . 135 GLN HG3 H 2.50 . 1 1618 . 135 GLN HE21 H 7.56 . 2 1619 . 135 GLN HE22 H 6.89 . 2 1620 . 135 GLN C C 178.6 . 1 1621 . 135 GLN CA C 57.7 . 1 1622 . 135 GLN CB C 28.4 . 1 1623 . 135 GLN CG C 33.5 . 1 1624 . 135 GLN N N 115.06 . 1 1625 . 135 GLN NE2 N 111.66 . 1 1626 . 136 GLN H H 7.57 . 1 1627 . 136 GLN HA H 4.14 . 1 1628 . 136 GLN HB2 H 2.13 . 1 1629 . 136 GLN HB3 H 2.13 . 1 1630 . 136 GLN HG2 H 2.58 . 1 1631 . 136 GLN HG3 H 2.58 . 1 1632 . 136 GLN HE21 H 7.49 . 2 1633 . 136 GLN HE22 H 6.80 . 2 1634 . 136 GLN C C 178.9 . 1 1635 . 136 GLN CA C 57.4 . 1 1636 . 136 GLN CB C 28.1 . 1 1637 . 136 GLN CG C 33.7 . 1 1638 . 136 GLN N N 120.06 . 1 1639 . 136 GLN NE2 N 111.66 . 1 1640 . 137 GLU H H 8.63 . 1 1641 . 137 GLU HA H 4.06 . 1 1642 . 137 GLU HB2 H 1.88 . 1 1643 . 137 GLU HB3 H 1.88 . 1 1644 . 137 GLU HG2 H 2.18 . 1 1645 . 137 GLU HG3 H 2.18 . 1 1646 . 137 GLU C C 178.9 . 1 1647 . 137 GLU CA C 57.4 . 1 1648 . 137 GLU CB C 28.1 . 1 1649 . 137 GLU CG C 33.7 . 1 1650 . 137 GLU N N 120.06 . 1 1651 . 138 ASP H H 8.50 . 1 1652 . 138 ASP HA H 4.43 . 1 1653 . 138 ASP HB2 H 2.70 . 1 1654 . 138 ASP HB3 H 2.76 . 1 1655 . 138 ASP C C 177.9 . 1 1656 . 138 ASP CA C 56.4 . 1 1657 . 138 ASP CB C 40.8 . 1 1658 . 138 ASP N N 121.46 . 1 1659 . 139 ALA H H 7.75 . 1 1660 . 139 ALA HA H 4.21 . 1 1661 . 139 ALA HB H 1.47 . 1 1662 . 139 ALA C C 176.0 . 1 1663 . 139 ALA CA C 53.9 . 1 1664 . 139 ALA CB C 18.1 . 1 1665 . 139 ALA N N 121.26 . 1 1666 . 140 LEU H H 7.72 . 1 1667 . 140 LEU HA H 4.21 . 1 1668 . 140 LEU HB2 H 1.61 . 2 1669 . 140 LEU HB3 H 1.76 . 2 1670 . 140 LEU HG H 1.71 . 1 1671 . 140 LEU HD1 H 0.90 . 2 1672 . 140 LEU HD2 H 0.84 . 2 1673 . 140 LEU C C 179.9 . 1 1674 . 140 LEU CA C 55.8 . 1 1675 . 140 LEU CB C 41.8 . 1 1676 . 140 LEU CG C 26.5 . 1 1677 . 140 LEU CD1 C 25.0 . 2 1678 . 140 LEU CD2 C 23.1 . 2 1679 . 140 LEU N N 118.56 . 1 1680 . 141 ALA H H 7.79 . 1 1681 . 141 ALA HA H 4.31 . 1 1682 . 141 ALA HB H 1.47 . 1 1683 . 141 ALA C C 177.8 . 1 1684 . 141 ALA CA C 53.0 . 1 1685 . 141 ALA CB C 18.9 . 1 1686 . 141 ALA N N 121.76 . 1 1687 . 142 GLN H H 7.83 . 1 1688 . 142 GLN HA H 4.35 . 1 1689 . 142 GLN HB2 H 2.00 . 2 1690 . 142 GLN HB3 H 2.20 . 2 1691 . 142 GLN HG2 H 2.43 . 1 1692 . 142 GLN HG3 H 2.43 . 1 1693 . 142 GLN HE21 H 6.86 . 2 1694 . 142 GLN HE22 H 7.60 . 2 1695 . 142 GLN C C 175.3 . 1 1696 . 142 GLN CA C 55.4 . 1 1697 . 142 GLN CB C 29.3 . 1 1698 . 142 GLN CG C 33.7 . 1 1699 . 142 GLN N N 117.86 . 1 1700 . 142 GLN NE2 N 112.96 . 1 1701 . 143 GLN H H 7.82 . 1 1702 . 143 GLN HA H 4.16 . 1 1703 . 143 GLN HB2 H 1.95 . 2 1704 . 143 GLN HB3 H 2.13 . 2 1705 . 143 GLN HG2 H 2.32 . 1 1706 . 143 GLN HG3 H 2.32 . 1 1707 . 143 GLN HE21 H 7.54 . 2 1708 . 143 GLN HE22 H 6.85 . 2 1709 . 143 GLN CA C 57.0 . 1 1710 . 143 GLN CB C 30.0 . 1 1711 . 143 GLN CG C 34.2 . 1 1712 . 143 GLN N N 125.96 . 1 1713 . 143 GLN NE2 N 112.2 . 1 stop_ save_