data_4193 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-Specific 1H, 15N and 13C Assignment of Adenylate Kinase from Escherichia coli in Complex with the Inhibitor AP5A ; _BMRB_accession_number 4193 _BMRB_flat_file_name bmr4193.str _Entry_type update _Submission_date 1998-08-21 _Accession_date 1998-09-02 _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 Meirovitch Eva . . 2 Sinev Michael A. . 3 Sineva Elena V. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1182 "13C chemical shifts" 859 "15N chemical shifts" 220 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-09-30 update author 'chemical shift values updated' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Meirovitch, E., Sinev, M. A., and Sineva, E. V., "Letter to the Editor: Sequence-Specific 1H, 15N and 13C Assignment of Adenylate Kinase from Escherichia coli in Complex with the Inhibitor AP5A," J. Biomol. NMR 13, 195-196 (1999). ; _Citation_title ; Letter to the Editor: Sequence-Specific 1H, 15N and 13C Assignment of Adenylate Kinase from Escherichia coli in Complex with the Inhibitor AP5A ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99169967 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Meirovitch Eva . . 2 Sinev Michael A. . 3 Sineva Elena V. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 13 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 195 _Page_last 196 _Year 1999 _Details . loop_ _Keyword 'Adenylate kinase' 'Dynamic properties and enzyme function' 'NMR assignment' stop_ save_ ################################## # Molecular system description # ################################## save_Akeco-AP5A_complex _Saveframe_category molecular_system _Mol_system_name 'Adenylate kinase/AP5A complex' _Abbreviation_common 'Akeco-AP5A complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Akeco $Akeco AP5 $AP5 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function Phosphotransferase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Akeco _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Adenylate kinase' _Abbreviation_common Akeco _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 214 _Mol_residue_sequence ; MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVT DELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPP KVEGKDDVTGEELTTRKDDQ EETVRKRLVEYHQMTAPLIG YYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 ILE 4 ILE 5 LEU 6 LEU 7 GLY 8 ALA 9 PRO 10 GLY 11 ALA 12 GLY 13 LYS 14 GLY 15 THR 16 GLN 17 ALA 18 GLN 19 PHE 20 ILE 21 MET 22 GLU 23 LYS 24 TYR 25 GLY 26 ILE 27 PRO 28 GLN 29 ILE 30 SER 31 THR 32 GLY 33 ASP 34 MET 35 LEU 36 ARG 37 ALA 38 ALA 39 VAL 40 LYS 41 SER 42 GLY 43 SER 44 GLU 45 LEU 46 GLY 47 LYS 48 GLN 49 ALA 50 LYS 51 ASP 52 ILE 53 MET 54 ASP 55 ALA 56 GLY 57 LYS 58 LEU 59 VAL 60 THR 61 ASP 62 GLU 63 LEU 64 VAL 65 ILE 66 ALA 67 LEU 68 VAL 69 LYS 70 GLU 71 ARG 72 ILE 73 ALA 74 GLN 75 GLU 76 ASP 77 CYS 78 ARG 79 ASN 80 GLY 81 PHE 82 LEU 83 LEU 84 ASP 85 GLY 86 PHE 87 PRO 88 ARG 89 THR 90 ILE 91 PRO 92 GLN 93 ALA 94 ASP 95 ALA 96 MET 97 LYS 98 GLU 99 ALA 100 GLY 101 ILE 102 ASN 103 VAL 104 ASP 105 TYR 106 VAL 107 LEU 108 GLU 109 PHE 110 ASP 111 VAL 112 PRO 113 ASP 114 GLU 115 LEU 116 ILE 117 VAL 118 ASP 119 ARG 120 ILE 121 VAL 122 GLY 123 ARG 124 ARG 125 VAL 126 HIS 127 ALA 128 PRO 129 SER 130 GLY 131 ARG 132 VAL 133 TYR 134 HIS 135 VAL 136 LYS 137 PHE 138 ASN 139 PRO 140 PRO 141 LYS 142 VAL 143 GLU 144 GLY 145 LYS 146 ASP 147 ASP 148 VAL 149 THR 150 GLY 151 GLU 152 GLU 153 LEU 154 THR 155 THR 156 ARG 157 LYS 158 ASP 159 ASP 160 GLN 161 GLU 162 GLU 163 THR 164 VAL 165 ARG 166 LYS 167 ARG 168 LEU 169 VAL 170 GLU 171 TYR 172 HIS 173 GLN 174 MET 175 THR 176 ALA 177 PRO 178 LEU 179 ILE 180 GLY 181 TYR 182 TYR 183 SER 184 LYS 185 GLU 186 ALA 187 GLU 188 ALA 189 GLY 190 ASN 191 THR 192 LYS 193 TYR 194 ALA 195 LYS 196 VAL 197 ASP 198 GLY 199 THR 200 LYS 201 PRO 202 VAL 203 ALA 204 GLU 205 VAL 206 ARG 207 ALA 208 ASP 209 LEU 210 GLU 211 LYS 212 ILE 213 LEU 214 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-03 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18683 adenylate_kinase 100.00 214 100.00 100.00 1.82e-151 BMRB 18685 adenylate_kinase 100.00 214 100.00 100.00 1.82e-151 BMRB 18686 adenylate_kinase 100.00 214 99.53 99.53 1.25e-150 BMRB 18687 adenylate_kinase 100.00 214 100.00 100.00 1.82e-151 BMRB 19089 adenylate_kinase_wild_type 100.00 214 100.00 100.00 1.82e-151 BMRB 19090 adenylate_kinase_wild_type 100.00 214 100.00 100.00 1.82e-151 BMRB 19091 adenylate_kinase_wild_type 100.00 214 100.00 100.00 1.82e-151 BMRB 19092 adenylate_kinase_R156K_mutant 100.00 214 99.53 100.00 4.76e-151 BMRB 19093 adenylate_kinase_R156K_mutant 100.00 214 99.53 100.00 4.76e-151 BMRB 25353 Kinase 100.00 214 99.53 99.53 1.79e-150 BMRB 25357 Adenylate_Kinase_Y171W 100.00 214 99.53 100.00 3.24e-151 BMRB 25360 Adenylate_Kinase_P177A 100.00 214 99.53 99.53 1.79e-150 BMRB 25361 Adenylate_Kinase_Y171W 100.00 214 99.53 100.00 3.24e-151 BMRB 25362 Adenylate_Kinase_Y171W 100.00 214 99.53 100.00 3.24e-151 BMRB 4152 "Adenylate kinase" 100.00 214 100.00 100.00 1.82e-151 BMRB 4350 "Adenylate kinase from E. coli" 100.00 214 100.00 100.00 1.82e-151 PDB 1AKE "Structure Of The Complex Between Adenylate Kinase From Escherichia Coli And The Inhibitor Ap5a Refined At 1.9 Angstroms Resolut" 100.00 214 100.00 100.00 1.82e-151 PDB 1ANK "The Closed Conformation Of A Highly Flexible Protein: The Structure Of E. Cloi Adenylate Kinase With Bound Amp And Amppnp" 100.00 214 100.00 100.00 1.82e-151 PDB 1E4V "Mutant G10v Of Adenylate Kinase From E. Coli, Modified In The Gly-Loop" 100.00 214 99.53 99.53 2.68e-150 PDB 1E4Y "Mutant P9l Of Adenylate Kinase From E. Coli, Modified In The Gly-Loop" 100.00 214 99.07 99.07 4.60e-149 PDB 2ECK "Structure Of Phosphotransferase" 100.00 214 100.00 100.00 1.82e-151 PDB 3HPQ "Crystal Structure Of Wild-Type Adenylate Kinase From E. Coli, In Complex With Ap5a" 100.00 214 100.00 100.00 1.82e-151 PDB 3HPR "Crystal Structure Of V148g Adenylate Kinase From E. Coli, In Complex With Ap5a" 100.00 214 99.53 99.53 2.54e-150 PDB 3X2S "Crystal Structure Of Pyrene-conjugated Adenylate Kinase" 100.00 214 98.60 98.60 7.70e-149 PDB 4AKE "Adenylate Kinase" 100.00 214 100.00 100.00 1.82e-151 PDB 4JZK "Crystal Structure Of Adenylate Kinase Of E. Coli With Adp/amp Bound" 100.00 214 100.00 100.00 1.82e-151 PDB 4X8H "Crystal Structure Of E. Coli Adenylate Kinase P177a Mutant" 100.00 214 99.53 99.53 1.79e-150 PDB 4X8L "Crystal Structure Of E. Coli Adenylate Kinase P177a Mutant In Complex With Inhibitor Ap5a" 100.00 214 99.53 99.53 1.79e-150 PDB 4X8M "Crystal Structure Of E. Coli Adenylate Kinase Y171w Mutant" 100.00 214 99.53 100.00 3.24e-151 PDB 4X8O "Crystal Structure Of E. Coli Adenylate Kinase Y171w Mutant In Complex With Inhibitor Ap5a" 100.00 214 99.53 100.00 3.24e-151 DBJ BAA14303 "adenylate kinase [Escherichia coli K-12]" 50.00 107 100.00 100.00 1.12e-68 DBJ BAB33950 "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" 100.00 214 100.00 100.00 1.82e-151 DBJ BAE76253 "adenylate kinase [Escherichia coli str. K12 substr. W3110]" 100.00 214 100.00 100.00 1.82e-151 DBJ BAG76023 "adenylate kinase [Escherichia coli SE11]" 100.00 214 100.00 100.00 1.82e-151 DBJ BAI23848 "adenylate kinase Adk [Escherichia coli O26:H11 str. 11368]" 100.00 214 100.00 100.00 1.82e-151 EMBL CAA26840 "unnamed protein product [Escherichia coli]" 100.00 214 100.00 100.00 1.82e-151 EMBL CAF33430 "adenylate kinase [Escherichia coli]" 71.96 154 100.00 100.00 3.85e-106 EMBL CAF33431 "adenylate kinase, partial [Escherichia coli]" 71.96 154 100.00 100.00 3.85e-106 EMBL CAF33432 "adenylate kinase, partial [Escherichia coli]" 71.96 154 100.00 100.00 3.85e-106 EMBL CAF33433 "adenylate kinase, partial [Escherichia coli]" 71.96 154 100.00 100.00 3.85e-106 GB AAA23461 "adk ORF [Escherichia coli]" 100.00 214 100.00 100.00 1.82e-151 GB AAB40228 "adenylate kinase [Escherichia coli]" 100.00 233 100.00 100.00 6.15e-152 GB AAC73576 "adenylate kinase [Escherichia coli str. K-12 substr. MG1655]" 100.00 214 100.00 100.00 1.82e-151 GB AAG54823 "adenylate kinase activity; pleiotropic effects on glycerol-3-phosphate acyltransferase activity [Escherichia coli O157:H7 str. " 100.00 214 100.00 100.00 1.82e-151 GB AAM94352 "adenylate kinase [Escherichia coli]" 79.91 171 100.00 100.00 1.30e-119 REF NP_308554 "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" 100.00 214 100.00 100.00 1.82e-151 REF NP_415007 "adenylate kinase [Escherichia coli str. K-12 substr. MG1655]" 100.00 214 100.00 100.00 1.82e-151 REF NP_706367 "adenylate kinase [Shigella flexneri 2a str. 301]" 100.00 214 99.53 99.53 1.69e-150 REF WP_001220233 "MULTISPECIES: adenylate kinase [Proteobacteria]" 100.00 214 100.00 100.00 1.82e-151 REF WP_001220235 "adenylate kinase [Shigella flexneri]" 100.00 214 99.53 99.53 1.69e-150 SP A7ZIN4 "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" 100.00 214 100.00 100.00 1.82e-151 SP A7ZXD2 "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" 100.00 214 100.00 100.00 1.82e-151 SP B1IZC0 "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" 100.00 214 100.00 100.00 1.82e-151 SP B1LJN2 "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" 100.00 214 100.00 100.00 1.82e-151 SP B1XFR1 "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" 100.00 214 100.00 100.00 1.82e-151 stop_ save_ ############# # Ligands # ############# save_AP5 _Saveframe_category ligand _Mol_type non-polymer _Name_common "AP5 (BIS(ADENOSINE)-5'-PENTAPHOSPHATE)" _BMRB_code . _PDB_code AP5 _Molecular_mass 916.367 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 09:15:41 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? PD PD P . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? O3D O3D O . 0 . ? PE PE P . 0 . ? O1E O1E O . 0 . ? O2E O2E O . 0 . ? O5F O5F O . 0 . ? C5F C5F C . 0 . ? C4F C4F C . 0 . ? O4F O4F O . 0 . ? C3F C3F C . 0 . ? O3F O3F O . 0 . ? C2F C2F C . 0 . ? O2F O2F O . 0 . ? C1F C1F C . 0 . ? N9A N9A N . 0 . ? C8A C8A C . 0 . ? N7A N7A N . 0 . ? C5A C5A C . 0 . ? C6A C6A C . 0 . ? N6A N6A N . 0 . ? N1A N1A N . 0 . ? C2A C2A C . 0 . ? N3A N3A N . 0 . ? C4A C4A C . 0 . ? O5J O5J O . 0 . ? C5J C5J C . 0 . ? C4J C4J C . 0 . ? O4J O4J O . 0 . ? C3J C3J C . 0 . ? O3J O3J O . 0 . ? C2J C2J C . 0 . ? O2J O2J O . 0 . ? C1J C1J C . 0 . ? N9B N9B N . 0 . ? C8B C8B C . 0 . ? N7B N7B N . 0 . ? C5B C5B C . 0 . ? C6B C6B C . 0 . ? N6B N6B N . 0 . ? N1B N1B N . 0 . ? C2B C2B C . 0 . ? N3B N3B N . 0 . ? C4B C4B C . 0 . ? HOA2 HOA2 H . 0 . ? HOB2 HOB2 H . 0 . ? HOG2 HOG2 H . 0 . ? HOD2 HOD2 H . 0 . ? HOE2 HOE2 H . 0 . ? H51A H51A H . 0 . ? H52A H52A H . 0 . ? H4F H4F H . 0 . ? H3F H3F H . 0 . ? HO3A HO3A H . 0 . ? H2F H2F H . 0 . ? HO2A HO2A H . 0 . ? H1F H1F H . 0 . ? H8A H8A H . 0 . ? H61A H61A H . 0 . ? H62A H62A H . 0 . ? H2A H2A H . 0 . ? H51B H51B H . 0 . ? H52B H52B H . 0 . ? H4J H4J H . 0 . ? H3J H3J H . 0 . ? HO3B HO3B H . 0 . ? H2J H2J H . 0 . ? HO2B HO2B H . 0 . ? H1J H1J H . 0 . ? H8B H8B H . 0 . ? H61B H61B H . 0 . ? H62B H62B H . 0 . ? H2B H2B H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING PA O5F ? ? SING O2A HOA2 ? ? SING O3A PB ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING O2B HOB2 ? ? SING O3B PG ? ? DOUB PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING O2G HOG2 ? ? SING O3G PD ? ? DOUB PD O1D ? ? SING PD O2D ? ? SING PD O3D ? ? SING O2D HOD2 ? ? SING O3D PE ? ? DOUB PE O1E ? ? SING PE O2E ? ? SING PE O5J ? ? SING O2E HOE2 ? ? SING O5F C5F ? ? SING C5F C4F ? ? SING C5F H51A ? ? SING C5F H52A ? ? SING C4F O4F ? ? SING C4F C3F ? ? SING C4F H4F ? ? SING O4F C1F ? ? SING C3F O3F ? ? SING C3F C2F ? ? SING C3F H3F ? ? SING O3F HO3A ? ? SING C2F O2F ? ? SING C2F C1F ? ? SING C2F H2F ? ? SING O2F HO2A ? ? SING C1F N9A ? ? SING C1F H1F ? ? SING N9A C8A ? ? SING N9A C4A ? ? DOUB C8A N7A ? ? SING C8A H8A ? ? SING N7A C5A ? ? SING C5A C6A ? ? DOUB C5A C4A ? ? SING C6A N6A ? ? DOUB C6A N1A ? ? SING N6A H61A ? ? SING N6A H62A ? ? SING N1A C2A ? ? DOUB C2A N3A ? ? SING C2A H2A ? ? SING N3A C4A ? ? SING O5J C5J ? ? SING C5J C4J ? ? SING C5J H51B ? ? SING C5J H52B ? ? SING C4J O4J ? ? SING C4J C3J ? ? SING C4J H4J ? ? SING O4J C1J ? ? SING C3J O3J ? ? SING C3J C2J ? ? SING C3J H3J ? ? SING O3J HO3B ? ? SING C2J O2J ? ? SING C2J C1J ? ? SING C2J H2J ? ? SING O2J HO2B ? ? SING C1J N9B ? ? SING C1J H1J ? ? SING N9B C8B ? ? SING N9B C4B ? ? DOUB C8B N7B ? ? SING C8B H8B ? ? SING N7B C5B ? ? SING C5B C6B ? ? DOUB C5B C4B ? ? SING C6B N6B ? ? DOUB C6B N1B ? ? SING N6B H61B ? ? SING N6B H62B ? ? SING N1B C2B ? ? DOUB C2B N3B ? ? SING C2B H2B ? ? SING N3B C4B ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Akeco 'E. coli' 562 Eubacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Akeco 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Akeco-AP5A_complex . mM 2.7 5.7 [U-15N] 'sodium-phosphate buffer' 40 mM . . . 'sodium azide' 1 uM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Akeco-AP5A_complex . mM 2.7 5.7 '[U-15N; U-13C]' 'sodium-phosphate buffer' 40 mM . . . 'sodium azide' 1 uM . . . H2O 95 % . . . D2O 5 % . . . 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_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_one save_ save_CCONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label $sample_one save_ save_HCCONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label $sample_one save_ save_15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label $sample_one save_ save_13C,HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name 13C,HSQC _Sample_label $sample_one save_ save_HCCH_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH_TOCSY _Sample_label $sample_one save_ save_HCCH_COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH_COSY _Sample_label $sample_one save_ save_3D_N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N_NOESY' _Sample_label $sample_one save_ save_3D_C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C_NOESY' _Sample_label $sample_one save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_one save_ save_3D_HBHA(CBCACO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _Sample_label $sample_one save_ save_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_one save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 13C,HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH_TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH_COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N_NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C_NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.15 n/a temperature 303 0.1 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 _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP C 13 'methyl protons' ppm 0.0 . indirect cylindrical external parallel 0.2514495192 $entry_citation $entry_citation TSP H 1 'methyl protons' ppm 0.0 . indirect cylindrical external parallel 1 $entry_citation $entry_citation TMS N 15 'methyl protons' ppm 0.0 . indirect cylindrical external parallel 0.1013290513 $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 $sample_two stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name Akeco _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 MET HA H 3.97 . 1 2 . 1 MET HB2 H 2.11 . 1 3 . 1 MET HB3 H 2.11 . 1 4 . 1 MET C C 173.0 . 1 5 . 1 MET CA C 55.3 . 1 6 . 1 MET CB C 34.6 . 1 7 . 1 MET CG C 30.9 . 1 8 . 2 ARG H H 9.64 . 1 9 . 2 ARG HA H 5.15 . 1 10 . 2 ARG HB2 H 1.55 . 1 11 . 2 ARG HB3 H 1.55 . 1 12 . 2 ARG HG2 H 1.34 . 2 13 . 2 ARG HG3 H 1.20 . 2 14 . 2 ARG HD2 H 3.07 . 2 15 . 2 ARG HD3 H 2.84 . 2 16 . 2 ARG HE H 6.952 . 1 17 . 2 ARG C C 176.0 . 1 18 . 2 ARG CA C 54.5 . 1 19 . 2 ARG CB C 33.7 . 1 20 . 2 ARG CG C 26.1 . 1 21 . 2 ARG CD C 44.2 . 1 22 . 2 ARG N N 124.9 . 1 23 . 2 ARG NE N 114.2 . 1 24 . 3 ILE H H 8.13 . 1 25 . 3 ILE HA H 5.28 . 1 26 . 3 ILE HB H 1.46 . 1 27 . 3 ILE HG12 H 0.90 . 1 28 . 3 ILE HG13 H 0.90 . 1 29 . 3 ILE HG2 H 0.74 . 1 30 . 3 ILE HD1 H 0.66 . 1 31 . 3 ILE C C 174.5 . 1 32 . 3 ILE CA C 59.2 . 1 33 . 3 ILE CB C 44.2 . 1 34 . 3 ILE CG1 C 27.9 . 1 35 . 3 ILE CG2 C 18.0 . 1 36 . 3 ILE CD1 C 15.0 . 1 37 . 3 ILE N N 123.0 . 1 38 . 4 ILE H H 8.68 . 1 39 . 4 ILE HA H 4.78 . 1 40 . 4 ILE HB H 1.57 . 1 41 . 4 ILE HG12 H 0.95 . 1 42 . 4 ILE HG13 H 0.95 . 1 43 . 4 ILE HG2 H 0.83 . 1 44 . 4 ILE HD1 H 0.55 . 1 45 . 4 ILE C C 174.4 . 1 46 . 4 ILE CA C 61.1 . 1 47 . 4 ILE CB C 42.2 . 1 48 . 4 ILE CG1 C 28.3 . 1 49 . 4 ILE CG2 C 17.7 . 1 50 . 4 ILE CD1 C 13.0 . 1 51 . 4 ILE N N 125.2 . 1 52 . 5 LEU H H 8.35 . 1 53 . 5 LEU HA H 5.17 . 1 54 . 5 LEU HB2 H 2.00 . 2 55 . 5 LEU HB3 H 1.08 . 2 56 . 5 LEU HG H 1.12 . 1 57 . 5 LEU HD1 H 0.82 . 2 58 . 5 LEU HD2 H 0.77 . 2 59 . 5 LEU C C 174.9 . 1 60 . 5 LEU CA C 53.4 . 1 61 . 5 LEU CB C 42.1 . 1 62 . 5 LEU CG C 24.0 . 1 63 . 5 LEU CD1 C 26.8 . 1 64 . 5 LEU CD2 C 26.8 . 1 65 . 5 LEU N N 123.7 . 1 66 . 6 LEU H H 9.35 . 1 67 . 6 LEU HA H 4.89 . 1 68 . 6 LEU HB2 H 1.53 . 2 69 . 6 LEU HB3 H 1.32 . 2 70 . 6 LEU HG H 1.42 . 1 71 . 6 LEU HD1 H 0.82 . 2 72 . 6 LEU HD2 H 0.90 . 2 73 . 6 LEU C C 175.3 . 1 74 . 6 LEU CA C 53.0 . 1 75 . 6 LEU CB C 46.4 . 1 76 . 6 LEU CG C 26.9 . 1 77 . 6 LEU CD1 C 25.4 . 2 78 . 6 LEU CD2 C 24.7 . 2 79 . 6 LEU N N 125.8 . 1 80 . 7 GLY H H 8.97 . 1 81 . 7 GLY HA2 H 4.17 . 2 82 . 7 GLY HA3 H 4.00 . 2 83 . 7 GLY C C 174.6 . 1 84 . 7 GLY CA C 45.1 . 1 85 . 7 GLY N N 109.4 . 1 86 . 8 ALA H H 8.85 . 1 87 . 8 ALA HA H 4.70 . 1 88 . 8 ALA HB H 1.30 . 1 89 . 8 ALA CA C 50.7 . 1 90 . 8 ALA CB C 17.3 . 1 91 . 8 ALA N N 126.1 . 1 92 . 9 PRO HA H 3.45 . 1 93 . 9 PRO HB2 H 1.76 . 2 94 . 9 PRO HB3 H 1.39 . 2 95 . 9 PRO C C 175.7 . 1 96 . 9 PRO CA C 62.2 . 1 97 . 9 PRO CB C 35.6 . 1 98 . 9 PRO CG C 25.0 . 1 99 . 10 GLY H H 8.22 . 1 100 . 10 GLY HA2 H 3.93 . 2 101 . 10 GLY HA3 H 3.36 . 2 102 . 10 GLY C C 173.8 . 1 103 . 10 GLY CA C 45.7 . 1 104 . 10 GLY N N 116.0 . 1 105 . 11 ALA H H 7.88 . 1 106 . 11 ALA HA H 3.49 . 1 107 . 11 ALA HB H 1.33 . 1 108 . 11 ALA C C 176.3 . 1 109 . 11 ALA CA C 53.8 . 1 110 . 11 ALA CB C 20.0 . 1 111 . 11 ALA N N 119.9 . 1 112 . 12 GLY H H 7.95 . 1 113 . 12 GLY HA2 H 3.96 . 1 114 . 12 GLY HA3 H 3.96 . 1 115 . 12 GLY C C 175.2 . 1 116 . 12 GLY CA C 45.4 . 1 117 . 12 GLY N N 104.6 . 1 118 . 13 LYS H H 8.23 . 1 119 . 13 LYS HA H 3.91 . 1 120 . 13 LYS HB2 H 1.85 . 1 121 . 13 LYS HB3 H 1.85 . 1 122 . 13 LYS CA C 56.7 . 1 123 . 13 LYS CB C 30.3 . 1 124 . 13 LYS N N 120.6 . 1 125 . 14 GLY HA2 H 3.85 . 2 126 . 14 GLY HA3 H 3.66 . 2 127 . 14 GLY C C 177.2 . 1 128 . 14 GLY CA C 47.1 . 1 129 . 15 THR H H 8.25 . 1 130 . 15 THR HA H 3.68 . 1 131 . 15 THR HB H 4.29 . 1 132 . 15 THR C C 176.4 . 1 133 . 15 THR CA C 67.1 . 1 134 . 15 THR CB C 69.0 . 1 135 . 15 THR CG2 C 20.1 . 1 136 . 15 THR N N 119.2 . 1 137 . 16 GLN H H 7.57 . 1 138 . 16 GLN HA H 4.46 . 1 139 . 16 GLN HB2 H 2.33 . 2 140 . 16 GLN HB3 H 1.76 . 2 141 . 16 GLN HG2 H 2.95 . 1 142 . 16 GLN HG3 H 2.95 . 1 143 . 16 GLN C C 179.0 . 1 144 . 16 GLN CA C 56.2 . 1 145 . 16 GLN CB C 26.6 . 1 146 . 16 GLN CG C 32.1 . 1 147 . 16 GLN N N 116.8 . 1 148 . 17 ALA H H 9.11 . 1 149 . 17 ALA HA H 3.80 . 1 150 . 17 ALA HB H 1.40 . 1 151 . 17 ALA C C 178.8 . 1 152 . 17 ALA CA C 55.1 . 1 153 . 17 ALA CB C 19.0 . 1 154 . 17 ALA N N 123.5 . 1 155 . 18 GLN H H 7.18 . 1 156 . 18 GLN HA H 3.87 . 1 157 . 18 GLN HB2 H 1.89 . 1 158 . 18 GLN HB3 H 1.89 . 1 159 . 18 GLN HG2 H 2.36 . 1 160 . 18 GLN HG3 H 2.36 . 1 161 . 18 GLN HE21 H 7.56 . 2 162 . 18 GLN HE22 H 6.67 . 2 163 . 18 GLN C C 178.1 . 1 164 . 18 GLN CA C 58.9 . 1 165 . 18 GLN CB C 27.9 . 1 166 . 18 GLN CG C 33.2 . 1 167 . 18 GLN N N 113.7 . 1 168 . 18 GLN NE2 N 112.1 . 1 169 . 19 PHE H H 6.72 . 1 170 . 19 PHE HA H 4.34 . 1 171 . 19 PHE HB2 H 3.36 . 2 172 . 19 PHE HB3 H 3.25 . 2 173 . 19 PHE HD1 H 7.3 . 1 174 . 19 PHE HD2 H 7.3 . 1 175 . 19 PHE HE1 H 7.17 . 1 176 . 19 PHE HE2 H 7.17 . 1 177 . 19 PHE C C 176.9 . 1 178 . 19 PHE CA C 59.1 . 1 179 . 19 PHE CB C 38.1 . 1 180 . 19 PHE N N 117.5 . 1 181 . 20 ILE H H 7.92 . 1 182 . 20 ILE HA H 3.52 . 1 183 . 20 ILE HB H 1.75 . 1 184 . 20 ILE HG12 H 1.89 . 1 185 . 20 ILE HG13 H 1.89 . 1 186 . 20 ILE HG2 H 0.82 . 1 187 . 20 ILE C C 177.5 . 1 188 . 20 ILE CA C 66.0 . 1 189 . 20 ILE CB C 38.1 . 1 190 . 20 ILE CG1 C 29.4 . 2 191 . 20 ILE CG2 C 18.4 . 2 192 . 20 ILE CD1 C 13.0 . 1 193 . 20 ILE N N 120.8 . 1 194 . 21 MET H H 8.42 . 1 195 . 21 MET HA H 3.94 . 1 196 . 21 MET HB2 H 2.03 . 1 197 . 21 MET HB3 H 2.03 . 1 198 . 21 MET HG2 H 2.40 . 2 199 . 21 MET HG3 H 2.18 . 2 200 . 21 MET C C 178.0 . 1 201 . 21 MET CA C 59.4 . 1 202 . 21 MET CB C 33.0 . 1 203 . 21 MET CG C 36.3 . 1 204 . 21 MET N N 119.8 . 1 205 . 22 GLU H H 8.00 . 1 206 . 22 GLU HA H 4.06 . 1 207 . 22 GLU HB2 H 2.57 . 2 208 . 22 GLU HB3 H 2.40 . 2 209 . 22 GLU HG2 H 2.86 . 1 210 . 22 GLU HG3 H 2.86 . 1 211 . 22 GLU C C 177.3 . 1 212 . 22 GLU CA C 59.4 . 1 213 . 22 GLU CB C 32.8 . 1 214 . 22 GLU N N 118.6 . 1 215 . 23 LYS H H 7.63 . 1 216 . 23 LYS HA H 3.82 . 1 217 . 23 LYS HB2 H 1.39 . 2 218 . 23 LYS HB3 H 1.11 . 2 219 . 23 LYS HD2 H 1.22 . 2 220 . 23 LYS HD3 H 0.66 . 2 221 . 23 LYS HE2 H 2.70 . 1 222 . 23 LYS HE3 H 2.70 . 1 223 . 23 LYS C C 178.0 . 1 224 . 23 LYS CA C 58.8 . 1 225 . 23 LYS CB C 32.5 . 1 226 . 23 LYS CG C 24.9 . 1 227 . 23 LYS CD C 28.7 . 1 228 . 23 LYS CE C 42.3 . 1 229 . 23 LYS N N 120.5 . 1 230 . 24 TYR H H 8.16 . 1 231 . 24 TYR HA H 4.43 . 1 232 . 24 TYR HB2 H 3.15 . 2 233 . 24 TYR HB3 H 2.56 . 2 234 . 24 TYR HD1 H 7.23 . 1 235 . 24 TYR HD2 H 7.23 . 1 236 . 24 TYR HE1 H 6.54 . 1 237 . 24 TYR HE2 H 6.54 . 1 238 . 24 TYR C C 176.7 . 1 239 . 24 TYR CA C 58.7 . 1 240 . 24 TYR CB C 38.5 . 1 241 . 24 TYR N N 112.8 . 1 242 . 25 GLY H H 7.70 . 1 243 . 25 GLY HA2 H 4.50 . 2 244 . 25 GLY HA3 H 3.74 . 2 245 . 25 GLY C C 175.4 . 1 246 . 25 GLY CA C 47.9 . 1 247 . 25 GLY N N 109.0 . 1 248 . 26 ILE H H 8.08 . 1 249 . 26 ILE HA H 4.00 . 1 250 . 26 ILE HB H 1.58 . 1 251 . 26 ILE HG12 H 1.64 . 1 252 . 26 ILE HG13 H 1.64 . 1 253 . 26 ILE CA C 57.6 . 1 254 . 26 ILE CB C 40.0 . 1 255 . 26 ILE CG1 C 28.5 . 1 256 . 26 ILE N N 122.0 . 1 257 . 27 PRO HA H 4.33 . 1 258 . 27 PRO HB2 H 1.61 . 1 259 . 27 PRO HB3 H 1.61 . 1 260 . 27 PRO HG2 H 2.1 . 1 261 . 27 PRO HG3 H 2.1 . 1 262 . 27 PRO HD2 H 3.78 . 1 263 . 27 PRO HD3 H 3.78 . 1 264 . 27 PRO C C 176.0 . 1 265 . 27 PRO CA C 62.7 . 1 266 . 27 PRO CB C 32.3 . 1 267 . 27 PRO CG C 28.5 . 1 268 . 27 PRO CD C 50.9 . 1 269 . 28 GLN H H 8.03 . 1 270 . 28 GLN HA H 4.51 . 1 271 . 28 GLN HB2 H 2.27 . 2 272 . 28 GLN HB3 H 1.81 . 2 273 . 28 GLN HG2 H 2.02 . 1 274 . 28 GLN HG3 H 2.02 . 1 275 . 28 GLN C C 174.6 . 1 276 . 28 GLN CA C 55.4 . 1 277 . 28 GLN CB C 29.6 . 1 278 . 28 GLN CG C 32.9 . 1 279 . 28 GLN N N 120.9 . 1 280 . 29 ILE H H 9.64 . 1 281 . 29 ILE HA H 4.21 . 1 282 . 29 ILE HB H 2.32 . 1 283 . 29 ILE HG12 H 1.14 . 1 284 . 29 ILE HG13 H 1.14 . 1 285 . 29 ILE HG2 H 0.53 . 1 286 . 29 ILE HD1 H 0.50 . 1 287 . 29 ILE C C 173.8 . 1 288 . 29 ILE CA C 59.3 . 1 289 . 29 ILE CB C 35.8 . 1 290 . 29 ILE CG1 C 26.2 . 1 291 . 29 ILE CG2 C 16.9 . 1 292 . 29 ILE N N 131.6 . 1 293 . 30 SER H H 8.71 . 1 294 . 30 SER HA H 5.81 . 1 295 . 30 SER HB2 H 3.87 . 1 296 . 30 SER HB3 H 3.87 . 1 297 . 30 SER C C 176.4 . 1 298 . 30 SER CA C 54.3 . 1 299 . 30 SER CB C 62.8 . 1 300 . 30 SER N N 121.0 . 1 301 . 31 THR H H 7.85 . 1 302 . 31 THR HA H 3.66 . 1 303 . 31 THR HB H 3.80 . 1 304 . 31 THR HG2 H 0.96 . 1 305 . 31 THR C C 177.7 . 1 306 . 31 THR CA C 65.5 . 1 307 . 31 THR CB C 62.5 . 1 308 . 31 THR CG2 C 26.6 . 1 309 . 31 THR N N 118.1 . 1 310 . 32 GLY H H 9.76 . 1 311 . 32 GLY HA2 H 3.90 . 1 312 . 32 GLY HA3 H 3.90 . 1 313 . 32 GLY C C 174.2 . 1 314 . 32 GLY CA C 47.8 . 1 315 . 32 GLY N N 111.0 . 1 316 . 33 ASP H H 6.81 . 1 317 . 33 ASP HA H 4.31 . 1 318 . 33 ASP HB2 H 2.64 . 1 319 . 33 ASP HB3 H 2.64 . 1 320 . 33 ASP C C 178.1 . 1 321 . 33 ASP CA C 57.5 . 1 322 . 33 ASP CB C 40.0 . 1 323 . 33 ASP N N 112.0 . 1 324 . 34 MET H H 8.27 . 1 325 . 34 MET HA H 4.04 . 1 326 . 34 MET HB2 H 2.01 . 1 327 . 34 MET HB3 H 2.01 . 1 328 . 34 MET HG2 H 2.86 . 1 329 . 34 MET HG3 H 2.86 . 1 330 . 34 MET C C 179.7 . 1 331 . 34 MET CA C 59.6 . 1 332 . 34 MET CB C 34.7 . 1 333 . 34 MET CG C 31.6 . 1 334 . 34 MET N N 119.3 . 1 335 . 35 LEU H H 8.58 . 1 336 . 35 LEU HA H 3.83 . 1 337 . 35 LEU HB2 H 1.96 . 2 338 . 35 LEU HB3 H 1.40 . 2 339 . 35 LEU HG H 1.40 . 1 340 . 35 LEU HD1 H 0.09 . 2 341 . 35 LEU HD2 H 0.51 . 2 342 . 35 LEU C C 178.7 . 1 343 . 35 LEU CA C 57.9 . 1 344 . 35 LEU CB C 41.0 . 1 345 . 35 LEU CG C 26.8 . 1 346 . 35 LEU CD1 C 24.1 . 2 347 . 35 LEU CD2 C 22.8 . 2 348 . 35 LEU N N 121.6 . 1 349 . 36 ARG H H 8.56 . 1 350 . 36 ARG HA H 3.76 . 1 351 . 36 ARG HB2 H 1.58 . 1 352 . 36 ARG HB3 H 1.58 . 1 353 . 36 ARG HG2 H 1.63 . 1 354 . 36 ARG HG3 H 1.63 . 1 355 . 36 ARG HD2 H 2.44 . 1 356 . 36 ARG HD3 H 2.44 . 1 357 . 36 ARG HE H 8.754 . 1 358 . 36 ARG C C 179.8 . 1 359 . 36 ARG CA C 61.2 . 1 360 . 36 ARG CB C 30.7 . 1 361 . 36 ARG CG C 30.3 . 1 362 . 36 ARG CD C 43.2 . 1 363 . 36 ARG N N 118.8 . 1 364 . 36 ARG NE N 113.4 . 1 365 . 37 ALA H H 8.11 . 1 366 . 37 ALA HA H 4.13 . 1 367 . 37 ALA HB H 1.45 . 1 368 . 37 ALA C C 171.6 . 1 369 . 37 ALA CA C 54.9 . 1 370 . 37 ALA CB C 17.5 . 1 371 . 37 ALA N N 122.2 . 1 372 . 38 ALA H H 7.79 . 1 373 . 38 ALA HA H 4.19 . 1 374 . 38 ALA HB H 1.35 . 1 375 . 38 ALA C C 178.8 . 1 376 . 38 ALA CA C 54.8 . 1 377 . 38 ALA CB C 17.1 . 1 378 . 38 ALA N N 122.8 . 1 379 . 39 VAL H H 8.19 . 1 380 . 39 VAL HA H 3.35 . 1 381 . 39 VAL HB H 2.16 . 1 382 . 39 VAL HG1 H 1.16 . 2 383 . 39 VAL HG2 H 0.88 . 2 384 . 39 VAL C C 179.2 . 1 385 . 39 VAL CA C 66.8 . 1 386 . 39 VAL CB C 31.9 . 1 387 . 39 VAL CG1 C 22.2 . 2 388 . 39 VAL CG2 C 21.3 . 2 389 . 39 VAL N N 119.2 . 1 390 . 40 LYS H H 7.86 . 1 391 . 40 LYS HA H 4.00 . 1 392 . 40 LYS HB2 H 1.87 . 1 393 . 40 LYS HB3 H 1.87 . 1 394 . 40 LYS HG2 H 1.45 . 1 395 . 40 LYS HG3 H 1.45 . 1 396 . 40 LYS HD2 H 1.63 . 1 397 . 40 LYS HD3 H 1.63 . 1 398 . 40 LYS HE2 H 2.91 . 1 399 . 40 LYS HE3 H 2.91 . 1 400 . 40 LYS C C 178.0 . 1 401 . 40 LYS CA C 58.8 . 1 402 . 40 LYS CB C 32.3 . 1 403 . 40 LYS CG C 24.8 . 1 404 . 40 LYS CD C 29.0 . 1 405 . 40 LYS CE C 42.0 . 1 406 . 40 LYS N N 120.2 . 1 407 . 41 SER H H 7.98 . 1 408 . 41 SER HA H 4.29 . 1 409 . 41 SER HB2 H 4.02 . 1 410 . 41 SER HB3 H 4.02 . 1 411 . 41 SER C C 175.7 . 1 412 . 41 SER CA C 59.8 . 1 413 . 41 SER CB C 64.1 . 1 414 . 41 SER N N 112.4 . 1 415 . 42 GLY H H 7.75 . 1 416 . 42 GLY HA2 H 4.05 . 2 417 . 42 GLY HA3 H 3.85 . 2 418 . 42 GLY C C 174.5 . 1 419 . 42 GLY CA C 46.1 . 1 420 . 42 GLY N N 109.5 . 1 421 . 43 SER H H 7.61 . 1 422 . 43 SER HA H 4.38 . 1 423 . 43 SER HB2 H 3.99 . 1 424 . 43 SER HB3 H 3.99 . 1 425 . 43 SER C C 174.3 . 1 426 . 43 SER CA C 57.3 . 1 427 . 43 SER CB C 65.3 . 1 428 . 43 SER N N 113.9 . 1 429 . 44 GLU H H 8.93 . 1 430 . 44 GLU HA H 3.96 . 1 431 . 44 GLU HB2 H 2.02 . 1 432 . 44 GLU HB3 H 2.02 . 1 433 . 44 GLU HG2 H 2.32 . 1 434 . 44 GLU HG3 H 2.32 . 1 435 . 44 GLU C C 179.2 . 1 436 . 44 GLU CA C 60.0 . 1 437 . 44 GLU CB C 28.9 . 1 438 . 44 GLU CG C 36.1 . 1 439 . 44 GLU N N 121.5 . 1 440 . 45 LEU H H 8.14 . 1 441 . 45 LEU HA H 4.03 . 1 442 . 45 LEU HB2 H 1.66 . 2 443 . 45 LEU HB3 H 1.38 . 2 444 . 45 LEU HG H 1.30 . 1 445 . 45 LEU HD1 H 0.74 . 2 446 . 45 LEU HD2 H 0.83 . 2 447 . 45 LEU C C 178.6 . 1 448 . 45 LEU CA C 58.3 . 1 449 . 45 LEU CB C 41.4 . 1 450 . 45 LEU CG C 27.7 . 1 451 . 45 LEU CD1 C 24.9 . 2 452 . 45 LEU CD2 C 24.5 . 2 453 . 45 LEU N N 119.8 . 1 454 . 46 GLY H H 7.78 . 1 455 . 46 GLY HA2 H 3.57 . 2 456 . 46 GLY HA3 H 3.28 . 2 457 . 46 GLY C C 175.2 . 1 458 . 46 GLY CA C 46.7 . 1 459 . 46 GLY N N 106.7 . 1 460 . 47 LYS H H 8.26 . 1 461 . 47 LYS HA H 3.92 . 1 462 . 47 LYS HB2 H 1.87 . 1 463 . 47 LYS HB3 H 1.87 . 1 464 . 47 LYS HG2 H 1.36 . 1 465 . 47 LYS HG3 H 1.36 . 1 466 . 47 LYS HD2 H 1.60 . 1 467 . 47 LYS HD3 H 1.60 . 1 468 . 47 LYS HE2 H 2.90 . 1 469 . 47 LYS HE3 H 2.90 . 1 470 . 47 LYS C C 179.4 . 1 471 . 47 LYS CA C 59.6 . 1 472 . 47 LYS CB C 32.3 . 1 473 . 47 LYS CG C 25.5 . 1 474 . 47 LYS CD C 29.4 . 1 475 . 47 LYS CE C 42.0 . 1 476 . 47 LYS N N 120.7 . 1 477 . 48 GLN H H 7.63 . 1 478 . 48 GLN HA H 4.15 . 1 479 . 48 GLN HB2 H 2.10 . 1 480 . 48 GLN HB3 H 2.10 . 1 481 . 48 GLN HG2 H 2.50 . 2 482 . 48 GLN HG3 H 2.32 . 2 483 . 48 GLN HE21 H 7.27 . 2 484 . 48 GLN HE22 H 6.71 . 2 485 . 48 GLN C C 178.0 . 1 486 . 48 GLN CA C 57.6 . 1 487 . 48 GLN CB C 29.2 . 1 488 . 48 GLN CG C 34.2 . 1 489 . 48 GLN N N 116.8 . 1 490 . 48 GLN NE2 N 110.3 . 1 491 . 49 ALA H H 8.17 . 1 492 . 49 ALA HA H 4.10 . 1 493 . 49 ALA HB H 1.28 . 1 494 . 49 ALA C C 178.6 . 1 495 . 49 ALA CA C 53.9 . 1 496 . 49 ALA CB C 19.6 . 1 497 . 49 ALA N N 119.2 . 1 498 . 50 LYS H H 7.93 . 1 499 . 50 LYS HA H 3.71 . 1 500 . 50 LYS HB2 H 2.04 . 2 501 . 50 LYS HB3 H 1.82 . 2 502 . 50 LYS HG2 H 1.37 . 1 503 . 50 LYS HG3 H 1.37 . 1 504 . 50 LYS HD2 H 1.63 . 1 505 . 50 LYS HD3 H 1.63 . 1 506 . 50 LYS HE2 H 2.97 . 1 507 . 50 LYS HE3 H 2.97 . 1 508 . 50 LYS C C 177.3 . 1 509 . 50 LYS CA C 61.0 . 1 510 . 50 LYS CB C 32.7 . 1 511 . 50 LYS CG C 23.9 . 1 512 . 50 LYS CD C 29.1 . 1 513 . 50 LYS CE C 42.4 . 1 514 . 50 LYS N N 117.8 . 1 515 . 51 ASP H H 8.12 . 1 516 . 51 ASP HA H 4.34 . 1 517 . 51 ASP HB2 H 2.60 . 1 518 . 51 ASP HB3 H 2.60 . 1 519 . 51 ASP C C 178.7 . 1 520 . 51 ASP CA C 57.3 . 1 521 . 51 ASP CB C 40.0 . 1 522 . 51 ASP N N 115.9 . 1 523 . 52 ILE H H 7.23 . 1 524 . 52 ILE HA H 3.72 . 1 525 . 52 ILE HB H 1.80 . 1 526 . 52 ILE HG12 H 1.72 . 1 527 . 52 ILE HG13 H 1.72 . 1 528 . 52 ILE HG2 H 1.15 . 1 529 . 52 ILE HD1 H 0.75 . 1 530 . 52 ILE C C 177.8 . 1 531 . 52 ILE CA C 64.2 . 1 532 . 52 ILE CB C 38.5 . 1 533 . 52 ILE CG1 C 28.2 . 1 534 . 52 ILE CG2 C 18.8 . 1 535 . 52 ILE CD1 C 12.5 . 1 536 . 52 ILE N N 120.7 . 1 537 . 53 MET H H 8.26 . 1 538 . 53 MET HA H 4.20 . 1 539 . 53 MET HB2 H 2.17 . 2 540 . 53 MET HB3 H 2.07 . 2 541 . 53 MET HG2 H 2.78 . 2 542 . 53 MET HG3 H 2.64 . 2 543 . 53 MET C C 181.5 . 1 544 . 53 MET CA C 59.5 . 1 545 . 53 MET CB C 34.4 . 1 546 . 53 MET CG C 31.3 . 1 547 . 53 MET N N 118.0 . 1 548 . 54 ASP H H 8.47 . 1 549 . 54 ASP HA H 4.36 . 1 550 . 54 ASP HB2 H 2.75 . 2 551 . 54 ASP HB3 H 2.58 . 2 552 . 54 ASP C C 176.7 . 1 553 . 54 ASP CA C 57.0 . 1 554 . 54 ASP CB C 40.1 . 1 555 . 54 ASP N N 120.0 . 1 556 . 55 ALA H H 7.18 . 1 557 . 55 ALA HA H 4.38 . 1 558 . 55 ALA HB H 1.52 . 1 559 . 55 ALA C C 177.4 . 1 560 . 55 ALA CA C 51.9 . 1 561 . 55 ALA CB C 19.1 . 1 562 . 55 ALA N N 118.9 . 1 563 . 56 GLY H H 7.97 . 1 564 . 56 GLY HA2 H 3.98 . 2 565 . 56 GLY HA3 H 3.74 . 2 566 . 56 GLY C C 173.4 . 1 567 . 56 GLY CA C 45.7 . 1 568 . 56 GLY N N 105.8 . 1 569 . 57 LYS H H 7.24 . 1 570 . 57 LYS HA H 4.45 . 1 571 . 57 LYS HB2 H 1.90 . 2 572 . 57 LYS HB3 H 1.63 . 2 573 . 57 LYS HG2 H 1.31 . 1 574 . 57 LYS HG3 H 1.31 . 1 575 . 57 LYS HD2 H 1.40 . 1 576 . 57 LYS HD3 H 1.40 . 1 577 . 57 LYS HE2 H 3.02 . 1 578 . 57 LYS HE3 H 3.02 . 1 579 . 57 LYS C C 175.5 . 1 580 . 57 LYS CA C 54.4 . 1 581 . 57 LYS CB C 35.0 . 1 582 . 57 LYS CG C 25.0 . 1 583 . 57 LYS CD C 28.5 . 1 584 . 57 LYS CE C 41.9 . 1 585 . 57 LYS N N 117.5 . 1 586 . 58 LEU H H 8.95 . 1 587 . 58 LEU HA H 4.25 . 1 588 . 58 LEU HB2 H 1.78 . 2 589 . 58 LEU HB3 H 1.41 . 2 590 . 58 LEU HG H 1.79 . 1 591 . 58 LEU HD1 H 0.63 . 2 592 . 58 LEU HD2 H 0.22 . 2 593 . 58 LEU C C 176.7 . 1 594 . 58 LEU CA C 55.1 . 1 595 . 58 LEU CB C 41.3 . 1 596 . 58 LEU CG C 26.4 . 1 597 . 58 LEU CD1 C 26.3 . 2 598 . 58 LEU CD2 C 22.8 . 2 599 . 58 LEU N N 120.2 . 1 600 . 59 VAL H H 8.82 . 1 601 . 59 VAL HA H 3.78 . 1 602 . 59 VAL HB H 1.69 . 1 603 . 59 VAL HG1 H 1.15 . 2 604 . 59 VAL HG2 H 1.00 . 2 605 . 59 VAL C C 173.7 . 1 606 . 59 VAL CA C 63.6 . 1 607 . 59 VAL CB C 31.5 . 1 608 . 59 VAL CG1 C 23.7 . 2 609 . 59 VAL CG2 C 22.2 . 2 610 . 59 VAL N N 121.3 . 1 611 . 60 THR H H 7.20 . 1 612 . 60 THR HA H 4.02 . 1 613 . 60 THR HB H 4.17 . 1 614 . 60 THR HG2 H 1.41 . 1 615 . 60 THR C C 174.6 . 1 616 . 60 THR CA C 63.2 . 1 617 . 60 THR CB C 69.9 . 1 618 . 60 THR CG2 C 22.2 . 1 619 . 60 THR N N 118.2 . 1 620 . 61 ASP H H 8.85 . 1 621 . 61 ASP HA H 4.25 . 1 622 . 61 ASP HB2 H 2.65 . 2 623 . 61 ASP HB3 H 2.37 . 2 624 . 61 ASP C C 177.7 . 1 625 . 61 ASP CA C 59.1 . 1 626 . 61 ASP CB C 41.2 . 1 627 . 61 ASP N N 125.6 . 1 628 . 62 GLU H H 9.32 . 1 629 . 62 GLU HA H 3.85 . 1 630 . 62 GLU HB2 H 1.97 . 1 631 . 62 GLU HB3 H 1.97 . 1 632 . 62 GLU HG2 H 2.27 . 1 633 . 62 GLU HG3 H 2.27 . 1 634 . 62 GLU C C 178.9 . 1 635 . 62 GLU CA C 60.6 . 1 636 . 62 GLU CB C 29.1 . 1 637 . 62 GLU CG C 36.4 . 1 638 . 62 GLU N N 116.2 . 1 639 . 63 LEU H H 6.95 . 1 640 . 63 LEU HA H 4.07 . 1 641 . 63 LEU HB2 H 1.72 . 2 642 . 63 LEU HB3 H 1.32 . 2 643 . 63 LEU HG H 1.53 . 1 644 . 63 LEU HD1 H 0.81 . 2 645 . 63 LEU HD2 H 0.76 . 2 646 . 63 LEU C C 178.7 . 1 647 . 63 LEU CA C 57.3 . 1 648 . 63 LEU CB C 42.0 . 1 649 . 63 LEU CG C 27.1 . 1 650 . 63 LEU CD1 C 24.8 . 2 651 . 63 LEU CD2 C 22.6 . 2 652 . 63 LEU N N 116.8 . 1 653 . 64 VAL H H 7.09 . 1 654 . 64 VAL HA H 3.45 . 1 655 . 64 VAL HB H 1.99 . 1 656 . 64 VAL HG1 H 0.81 . 2 657 . 64 VAL HG2 H 0.67 . 2 658 . 64 VAL C C 177.4 . 1 659 . 64 VAL CA C 65.7 . 1 660 . 64 VAL CB C 31.9 . 1 661 . 64 VAL CG1 C 22.5 . 2 662 . 64 VAL CG2 C 21.9 . 2 663 . 64 VAL N N 115.2 . 1 664 . 65 ILE H H 8.83 . 1 665 . 65 ILE HA H 3.40 . 1 666 . 65 ILE HB H 2.19 . 1 667 . 65 ILE HG12 H 1.72 . 1 668 . 65 ILE HG13 H 1.72 . 1 669 . 65 ILE HG2 H 0.83 . 1 670 . 65 ILE C C 176.8 . 1 671 . 65 ILE CA C 66.4 . 1 672 . 65 ILE CB C 38.7 . 1 673 . 65 ILE CG1 C 31.0 . 1 674 . 65 ILE CG2 C 17.7 . 1 675 . 65 ILE CD1 C 13.0 . 1 676 . 65 ILE N N 119.8 . 1 677 . 66 ALA H H 7.13 . 1 678 . 66 ALA HA H 3.95 . 1 679 . 66 ALA HB H 1.41 . 1 680 . 66 ALA C C 177.9 . 1 681 . 66 ALA CA C 55.3 . 1 682 . 66 ALA CB C 17.8 . 1 683 . 66 ALA N N 119.1 . 1 684 . 67 LEU H H 7.14 . 1 685 . 67 LEU HA H 3.93 . 1 686 . 67 LEU HB2 H 1.62 . 1 687 . 67 LEU HB3 H 1.62 . 1 688 . 67 LEU HG H 1.57 . 1 689 . 67 LEU HD1 H 0.66 . 1 690 . 67 LEU HD2 H 0.66 . 1 691 . 67 LEU C C 179.4 . 1 692 . 67 LEU CA C 57.5 . 1 693 . 67 LEU CB C 42.6 . 1 694 . 67 LEU CG C 26.0 . 1 695 . 67 LEU CD1 C 24.5 . 2 696 . 67 LEU CD2 C 24.1 . 2 697 . 67 LEU N N 117.8 . 1 698 . 68 VAL H H 7.82 . 1 699 . 68 VAL HA H 2.92 . 1 700 . 68 VAL HB H 1.16 . 1 701 . 68 VAL HG1 H 0.03 . 2 702 . 68 VAL HG2 H -0.16 . 2 703 . 68 VAL C C 176.8 . 1 704 . 68 VAL CA C 67.3 . 1 705 . 68 VAL CB C 31.1 . 1 706 . 68 VAL CG1 C 20.3 . 2 707 . 68 VAL CG2 C 23.4 . 2 708 . 68 VAL N N 118.8 . 1 709 . 69 LYS H H 8.33 . 1 710 . 69 LYS HA H 3.51 . 1 711 . 69 LYS HB2 H 1.66 . 1 712 . 69 LYS HB3 H 1.66 . 1 713 . 69 LYS HG2 H 1.05 . 1 714 . 69 LYS HG3 H 1.05 . 1 715 . 69 LYS HD2 H 1.50 . 1 716 . 69 LYS HD3 H 1.50 . 1 717 . 69 LYS C C 179.0 . 1 718 . 69 LYS CA C 60.8 . 1 719 . 69 LYS CB C 32.3 . 1 720 . 69 LYS CG C 26.3 . 1 721 . 69 LYS CD C 29.7 . 1 722 . 69 LYS CE C 41.6 . 1 723 . 69 LYS N N 117.7 . 1 724 . 70 GLU H H 7.33 . 1 725 . 70 GLU HA H 3.93 . 1 726 . 70 GLU HB2 H 1.91 . 1 727 . 70 GLU HB3 H 1.91 . 1 728 . 70 GLU HG2 H 2.26 . 2 729 . 70 GLU HG3 H 2.13 . 2 730 . 70 GLU C C 178.3 . 1 731 . 70 GLU CA C 58.7 . 1 732 . 70 GLU CB C 29.6 . 1 733 . 70 GLU CG C 32.8 . 1 734 . 70 GLU N N 116.0 . 1 735 . 71 ARG H H 7.42 . 1 736 . 71 ARG HA H 4.24 . 1 737 . 71 ARG HB2 H 1.78 . 2 738 . 71 ARG HB3 H 1.68 . 2 739 . 71 ARG HG2 H 1.63 . 1 740 . 71 ARG HG3 H 1.63 . 1 741 . 71 ARG HD2 H 3.18 . 1 742 . 71 ARG HD3 H 3.18 . 1 743 . 71 ARG HE H 7.25 . 1 744 . 71 ARG C C 179.4 . 1 745 . 71 ARG CA C 57.3 . 1 746 . 71 ARG CB C 29.0 . 1 747 . 71 ARG CG C 28.3 . 1 748 . 71 ARG CD C 41.3 . 1 749 . 71 ARG N N 119.8 . 1 750 . 71 ARG NE N 112.2 . 1 751 . 72 ILE H H 8.17 . 1 752 . 72 ILE HA H 4.55 . 1 753 . 72 ILE HB H 1.58 . 1 754 . 72 ILE HG12 H 1.03 . 4 755 . 72 ILE HG13 H 1.03 . 4 756 . 72 ILE HG2 H 0.39 . 1 757 . 72 ILE HD1 H 0.19 . 1 758 . 72 ILE C C 175.4 . 1 759 . 72 ILE CA C 63.0 . 1 760 . 72 ILE CB C 37.2 . 1 761 . 72 ILE CG1 C 26.0 . 1 762 . 72 ILE CG2 C 15.9 . 1 763 . 72 ILE CD1 C 13.3 . 1 764 . 72 ILE N N 111.5 . 1 765 . 73 ALA H H 6.84 . 1 766 . 73 ALA HA H 4.29 . 1 767 . 73 ALA HB H 1.41 . 1 768 . 73 ALA C C 178.2 . 1 769 . 73 ALA CA C 51.9 . 1 770 . 73 ALA CB C 18.7 . 1 771 . 73 ALA N N 120.9 . 1 772 . 74 GLN H H 7.17 . 1 773 . 74 GLN HA H 4.23 . 1 774 . 74 GLN HB2 H 2.36 . 2 775 . 74 GLN HB3 H 2.05 . 2 776 . 74 GLN HG2 H 2.66 . 1 777 . 74 GLN HG3 H 2.66 . 1 778 . 74 GLN HE21 H 7.30 . 2 779 . 74 GLN HE22 H 6.81 . 2 780 . 74 GLN C C 178.2 . 1 781 . 74 GLN CA C 55.9 . 1 782 . 74 GLN CB C 29.3 . 1 783 . 74 GLN CG C 34.1 . 1 784 . 74 GLN N N 116.1 . 1 785 . 74 GLN NE2 N 112.7 . 1 786 . 75 GLU H H 8.91 . 1 787 . 75 GLU HA H 3.98 . 1 788 . 75 GLU HB2 H 2.07 . 1 789 . 75 GLU HB3 H 2.07 . 1 790 . 75 GLU HG2 H 2.36 . 1 791 . 75 GLU HG3 H 2.36 . 1 792 . 75 GLU C C 177.7 . 1 793 . 75 GLU CA C 59.4 . 1 794 . 75 GLU CB C 29.7 . 1 795 . 75 GLU CG C 36.0 . 1 796 . 75 GLU N N 121.4 . 1 797 . 76 ASP H H 8.45 . 1 798 . 76 ASP HA H 4.40 . 1 799 . 76 ASP HB2 H 2.92 . 2 800 . 76 ASP HB3 H 2.76 . 2 801 . 76 ASP C C 177.5 . 1 802 . 76 ASP CA C 55.4 . 1 803 . 76 ASP CB C 38.4 . 1 804 . 76 ASP N N 117.2 . 1 805 . 77 CYS H H 7.64 . 1 806 . 77 CYS HA H 5.07 . 1 807 . 77 CYS HB2 H 3.14 . 1 808 . 77 CYS HB3 H 3.14 . 1 809 . 77 CYS C C 176.5 . 1 810 . 77 CYS CA C 60.4 . 1 811 . 77 CYS CB C 28.4 . 1 812 . 77 CYS N N 117.6 . 1 813 . 78 ARG H H 7.69 . 1 814 . 78 ARG HA H 4.05 . 1 815 . 78 ARG HB2 H 1.98 . 2 816 . 78 ARG HB3 H 1.84 . 2 817 . 78 ARG HG2 H 1.72 . 1 818 . 78 ARG HG3 H 1.72 . 1 819 . 78 ARG HD2 H 3.25 . 1 820 . 78 ARG HD3 H 3.25 . 1 821 . 78 ARG C C 177.1 . 1 822 . 78 ARG CA C 59.6 . 1 823 . 78 ARG CB C 30.1 . 1 824 . 78 ARG CG C 27.1 . 1 825 . 78 ARG CD C 43.3 . 1 826 . 78 ARG N N 121.5 . 1 827 . 79 ASN H H 8.39 . 1 828 . 79 ASN HA H 5.00 . 1 829 . 79 ASN HB2 H 3.02 . 2 830 . 79 ASN HB3 H 2.68 . 2 831 . 79 ASN HD21 H 7.70 . 2 832 . 79 ASN HD22 H 6.86 . 2 833 . 79 ASN C C 173.9 . 1 834 . 79 ASN CA C 52.7 . 1 835 . 79 ASN CB C 39.1 . 1 836 . 79 ASN N N 114.9 . 1 837 . 79 ASN ND2 N 113.2 . 1 838 . 80 GLY H H 7.37 . 1 839 . 80 GLY HA2 H 4.81 . 2 840 . 80 GLY HA3 H 3.13 . 2 841 . 80 GLY C C 172.3 . 1 842 . 80 GLY CA C 44.4 . 1 843 . 80 GLY N N 107.1 . 1 844 . 81 PHE H H 7.49 . 1 845 . 81 PHE HA H 4.68 . 1 846 . 81 PHE HB2 H 3.83 . 2 847 . 81 PHE HB3 H 2.85 . 2 848 . 81 PHE HD1 H 7.09 . 1 849 . 81 PHE HD2 H 7.09 . 1 850 . 81 PHE C C 172.3 . 1 851 . 81 PHE CA C 57.1 . 1 852 . 81 PHE CB C 39.9 . 1 853 . 81 PHE N N 108.9 . 1 854 . 82 LEU H H 8.71 . 1 855 . 82 LEU HA H 5.14 . 1 856 . 82 LEU HB2 H 1.75 . 2 857 . 82 LEU HB3 H 1.24 . 2 858 . 82 LEU HG H 1.48 . 1 859 . 82 LEU HD1 H 0.86 . 2 860 . 82 LEU HD2 H 0.80 . 2 861 . 82 LEU C C 174.3 . 1 862 . 82 LEU CA C 53.0 . 1 863 . 82 LEU CB C 44.6 . 1 864 . 82 LEU CG C 27.2 . 1 865 . 82 LEU CD1 C 26.7 . 2 866 . 82 LEU CD2 C 23.5 . 2 867 . 82 LEU N N 121.4 . 1 868 . 83 LEU H H 9.64 . 1 869 . 83 LEU HA H 4.89 . 1 870 . 83 LEU HB2 H 1.87 . 1 871 . 83 LEU HB3 H 1.87 . 1 872 . 83 LEU HG H 1.14 . 1 873 . 83 LEU HD1 H 0.82 . 2 874 . 83 LEU HD2 H 0.75 . 2 875 . 83 LEU C C 173.9 . 1 876 . 83 LEU CA C 54.8 . 1 877 . 83 LEU CB C 41.9 . 1 878 . 83 LEU CG C 26.1 . 1 879 . 83 LEU CD1 C 23.1 . 2 880 . 83 LEU CD2 C 22.8 . 2 881 . 83 LEU N N 127.4 . 1 882 . 84 ASP H H 8.67 . 1 883 . 84 ASP HA H 4.78 . 1 884 . 84 ASP HB2 H 2.64 . 2 885 . 84 ASP HB3 H 2.20 . 2 886 . 84 ASP C C 176.4 . 1 887 . 84 ASP CA C 52.4 . 1 888 . 84 ASP CB C 42.0 . 1 889 . 84 ASP N N 123.4 . 1 890 . 85 GLY H H 7.89 . 1 891 . 85 GLY HA2 H 4.67 . 2 892 . 85 GLY HA3 H 3.73 . 2 893 . 85 GLY C C 172.7 . 1 894 . 85 GLY CA C 45.8 . 1 895 . 85 GLY N N 109.2 . 1 896 . 86 PHE H H 7.33 . 1 897 . 86 PHE HA H 4.40 . 1 898 . 86 PHE HB2 H 3.29 . 2 899 . 86 PHE HB3 H 2.70 . 2 900 . 86 PHE HD1 H 7.20 . 1 901 . 86 PHE HD2 H 7.20 . 1 902 . 86 PHE CA C 54.7 . 1 903 . 86 PHE CB C 43.8 . 1 904 . 86 PHE N N 118.3 . 1 905 . 87 PRO HA H 3.86 . 1 906 . 87 PRO HB2 H 1.38 . 1 907 . 87 PRO HB3 H 1.38 . 1 908 . 87 PRO C C 173.7 . 1 909 . 87 PRO CA C 67.3 . 1 910 . 87 PRO CB C 31.8 . 1 911 . 88 ARG H H 7.93 . 1 912 . 88 ARG HA H 4.38 . 1 913 . 88 ARG HB2 H 1.77 . 2 914 . 88 ARG HB3 H 1.64 . 2 915 . 88 ARG HE H 7.87 . 1 916 . 88 ARG C C 174.2 . 1 917 . 88 ARG CA C 53.9 . 1 918 . 88 ARG CB C 34.7 . 1 919 . 88 ARG CG C 29.0 . 1 920 . 88 ARG CD C 42.6 . 1 921 . 88 ARG N N 119.0 . 1 922 . 88 ARG NE N 115.4 . 1 923 . 89 THR H H 7.04 . 1 924 . 89 THR HA H 4.67 . 1 925 . 89 THR HB H 4.49 . 1 926 . 89 THR HG2 H 1.19 . 1 927 . 89 THR C C 174.3 . 1 928 . 89 THR CA C 58.1 . 1 929 . 89 THR CB C 73.2 . 1 930 . 89 THR CG2 C 22.6 . 1 931 . 89 THR N N 107.1 . 1 932 . 90 ILE H H 9.70 . 1 933 . 90 ILE HA H 3.73 . 1 934 . 90 ILE HB H 2.00 . 1 935 . 90 ILE HG12 H 1.05 . 1 936 . 90 ILE HG13 H 1.05 . 1 937 . 90 ILE HD1 H 0.77 . 1 938 . 90 ILE CA C 66.1 . 1 939 . 90 ILE CB C 34.8 . 1 940 . 90 ILE CG1 C 31.0 . 1 941 . 90 ILE CD1 C 11.6 . 1 942 . 90 ILE N N 123.3 . 1 943 . 91 PRO HA H 4.35 . 1 944 . 91 PRO HB2 H 2.29 . 2 945 . 91 PRO HB3 H 1.60 . 2 946 . 91 PRO C C 180.7 . 1 947 . 91 PRO CA C 66.4 . 1 948 . 91 PRO CB C 28.6 . 1 949 . 91 PRO CG C 28.6 . 1 950 . 92 GLN H H 7.16 . 1 951 . 92 GLN HA H 3.73 . 1 952 . 92 GLN HB2 H 1.81 . 2 953 . 92 GLN HB3 H 1.53 . 2 954 . 92 GLN HG2 H 2.68 . 2 955 . 92 GLN HG3 H 2.15 . 2 956 . 92 GLN C C 175.9 . 1 957 . 92 GLN CA C 59.6 . 1 958 . 92 GLN CB C 28.1 . 1 959 . 92 GLN CG C 34.0 . 1 960 . 92 GLN N N 115.1 . 1 961 . 93 ALA H H 7.50 . 1 962 . 93 ALA HA H 3.86 . 1 963 . 93 ALA HB H 0.78 . 1 964 . 93 ALA C C 181.6 . 1 965 . 93 ALA CA C 55.3 . 1 966 . 93 ALA CB C 19.0 . 1 967 . 93 ALA N N 123.6 . 1 968 . 94 ASP H H 9.12 . 1 969 . 94 ASP HA H 4.47 . 1 970 . 94 ASP HB2 H 2.60 . 1 971 . 94 ASP HB3 H 2.60 . 1 972 . 94 ASP C C 178.9 . 1 973 . 94 ASP CA C 57.0 . 1 974 . 94 ASP CB C 39.8 . 1 975 . 94 ASP N N 120.5 . 1 976 . 95 ALA H H 7.92 . 1 977 . 95 ALA HA H 4.21 . 1 978 . 95 ALA HB H 1.59 . 1 979 . 95 ALA C C 181.5 . 1 980 . 95 ALA CA C 54.8 . 1 981 . 95 ALA CB C 18.5 . 1 982 . 95 ALA N N 121.9 . 1 983 . 96 MET H H 7.49 . 1 984 . 96 MET HA H 4.34 . 1 985 . 96 MET HB2 H 2.02 . 2 986 . 96 MET HB3 H 1.93 . 2 987 . 96 MET HG2 H 2.68 . 2 988 . 96 MET HG3 H 2.50 . 2 989 . 96 MET C C 178.8 . 1 990 . 96 MET CA C 59.4 . 1 991 . 96 MET CB C 33.2 . 1 992 . 96 MET CG C 30.6 . 1 993 . 96 MET N N 116.9 . 1 994 . 97 LYS H H 7.44 . 1 995 . 97 LYS HA H 3.99 . 1 996 . 97 LYS HB2 H 1.78 . 1 997 . 97 LYS HB3 H 1.78 . 1 998 . 97 LYS HG2 H 1.31 . 1 999 . 97 LYS HG3 H 1.31 . 1 1000 . 97 LYS HD2 H 1.51 . 1 1001 . 97 LYS HD3 H 1.51 . 1 1002 . 97 LYS HE2 H 2.83 . 1 1003 . 97 LYS HE3 H 2.83 . 1 1004 . 97 LYS C C 180.0 . 1 1005 . 97 LYS CA C 59.3 . 1 1006 . 97 LYS CB C 31.4 . 1 1007 . 97 LYS CG C 24.9 . 1 1008 . 97 LYS CD C 28.7 . 1 1009 . 97 LYS CE C 42.0 . 1 1010 . 97 LYS N N 118.0 . 1 1011 . 98 GLU H H 7.42 . 1 1012 . 98 GLU HA H 3.98 . 1 1013 . 98 GLU HB2 H 2.04 . 1 1014 . 98 GLU HB3 H 2.04 . 1 1015 . 98 GLU HG2 H 2.36 . 2 1016 . 98 GLU HG3 H 2.23 . 2 1017 . 98 GLU C C 177.5 . 1 1018 . 98 GLU CA C 59.0 . 1 1019 . 98 GLU CB C 29.5 . 1 1020 . 98 GLU CG C 36.1 . 1 1021 . 98 GLU N N 119.1 . 1 1022 . 99 ALA H H 7.28 . 1 1023 . 99 ALA HA H 4.39 . 1 1024 . 99 ALA HB H 1.48 . 1 1025 . 99 ALA C C 177.2 . 1 1026 . 99 ALA CA C 51.7 . 1 1027 . 99 ALA CB C 18.9 . 1 1028 . 99 ALA N N 117.9 . 1 1029 . 100 GLY H H 7.87 . 1 1030 . 100 GLY HA2 H 4.04 . 1 1031 . 100 GLY HA3 H 4.04 . 1 1032 . 100 GLY C C 174.6 . 1 1033 . 100 GLY CA C 46.1 . 1 1034 . 100 GLY N N 107.5 . 1 1035 . 101 ILE H H 8.06 . 1 1036 . 101 ILE HA H 4.01 . 1 1037 . 101 ILE HB H 1.89 . 1 1038 . 101 ILE HG12 H 1.47 . 1 1039 . 101 ILE HG13 H 1.47 . 1 1040 . 101 ILE HG2 H 1.10 . 1 1041 . 101 ILE HD1 H 0.88 . 1 1042 . 101 ILE C C 173.7 . 1 1043 . 101 ILE CA C 60.5 . 1 1044 . 101 ILE CB C 36.8 . 1 1045 . 101 ILE CG1 C 26.5 . 1 1046 . 101 ILE CG2 C 17.8 . 1 1047 . 101 ILE CD1 C 12.1 . 1 1048 . 101 ILE N N 121.0 . 1 1049 . 102 ASN H H 7.99 . 1 1050 . 102 ASN HA H 4.80 . 1 1051 . 102 ASN HB2 H 2.76 . 2 1052 . 102 ASN HB3 H 2.62 . 2 1053 . 102 ASN HD21 H 7.52 . 2 1054 . 102 ASN HD22 H 6.87 . 2 1055 . 102 ASN C C 174.2 . 1 1056 . 102 ASN CA C 52.5 . 1 1057 . 102 ASN CB C 39.7 . 1 1058 . 102 ASN N N 124.7 . 1 1059 . 102 ASN ND2 N 113.7 . 1 1060 . 103 VAL H H 8.81 . 1 1061 . 103 VAL HA H 4.29 . 1 1062 . 103 VAL HB H 1.88 . 1 1063 . 103 VAL HG1 H 0.80 . 2 1064 . 103 VAL HG2 H 0.74 . 2 1065 . 103 VAL C C 180.5 . 1 1066 . 103 VAL CA C 59.9 . 1 1067 . 103 VAL CB C 34.1 . 1 1068 . 103 VAL CG1 C 21.0 . 2 1069 . 103 VAL CG2 C 18.4 . 2 1070 . 103 VAL N N 113.0 . 1 1071 . 104 ASP H H 8.54 . 1 1072 . 104 ASP HA H 4.50 . 1 1073 . 104 ASP HB2 H 2.74 . 2 1074 . 104 ASP HB3 H 2.49 . 2 1075 . 104 ASP C C 175.7 . 1 1076 . 104 ASP CA C 56.9 . 1 1077 . 104 ASP CB C 43.9 . 1 1078 . 104 ASP N N 122.9 . 1 1079 . 105 TYR H H 7.51 . 1 1080 . 105 TYR HA H 5.11 . 1 1081 . 105 TYR HB2 H 2.58 . 2 1082 . 105 TYR HB3 H 2.40 . 2 1083 . 105 TYR HD1 H 6.65 . 1 1084 . 105 TYR HD2 H 6.65 . 1 1085 . 105 TYR C C 173.9 . 1 1086 . 105 TYR CA C 57.3 . 1 1087 . 105 TYR CB C 44.8 . 1 1088 . 105 TYR N N 114.7 . 1 1089 . 106 VAL H H 8.73 . 1 1090 . 106 VAL HA H 4.30 . 1 1091 . 106 VAL HB H 1.73 . 1 1092 . 106 VAL HG1 H 0.54 . 2 1093 . 106 VAL HG2 H 0.44 . 2 1094 . 106 VAL C C 173.1 . 1 1095 . 106 VAL CA C 62.1 . 1 1096 . 106 VAL CB C 32.9 . 1 1097 . 106 VAL CG1 C 21.1 . 1 1098 . 106 VAL CG2 C 21.1 . 1 1099 . 106 VAL N N 122.9 . 1 1100 . 107 LEU H H 8.52 . 1 1101 . 107 LEU HA H 4.99 . 1 1102 . 107 LEU HB2 H 1.87 . 1 1103 . 107 LEU HB3 H 1.87 . 1 1104 . 107 LEU HG H 1.32 . 1 1105 . 107 LEU HD1 H 0.79 . 2 1106 . 107 LEU HD2 H 0.62 . 2 1107 . 107 LEU C C 173.8 . 1 1108 . 107 LEU CA C 51.8 . 1 1109 . 107 LEU CB C 43.2 . 1 1110 . 107 LEU CG C 29.2 . 1 1111 . 107 LEU CD1 C 24.3 . 2 1112 . 107 LEU CD2 C 25.5 . 2 1113 . 107 LEU N N 124.8 . 1 1114 . 108 GLU H H 8.63 . 1 1115 . 108 GLU HA H 4.92 . 1 1116 . 108 GLU HB2 H 1.95 . 1 1117 . 108 GLU HB3 H 1.95 . 1 1118 . 108 GLU HG2 H 2.15 . 2 1119 . 108 GLU HG3 H 1.80 . 2 1120 . 108 GLU C C 175.0 . 1 1121 . 108 GLU CA C 53.7 . 1 1122 . 108 GLU CB C 31.3 . 1 1123 . 108 GLU CG C 35.1 . 1 1124 . 108 GLU N N 125.0 . 1 1125 . 109 PHE H H 9.26 . 1 1126 . 109 PHE HA H 4.57 . 1 1127 . 109 PHE HB2 H 3.04 . 2 1128 . 109 PHE HB3 H 2.49 . 2 1129 . 109 PHE HD1 H 7.20 . 1 1130 . 109 PHE HD2 H 7.20 . 1 1131 . 109 PHE C C 174.3 . 1 1132 . 109 PHE CA C 56.5 . 1 1133 . 109 PHE CB C 39.6 . 1 1134 . 109 PHE N N 128.0 . 1 1135 . 110 ASP H H 8.83 . 1 1136 . 110 ASP HA H 4.82 . 1 1137 . 110 ASP HB2 H 2.97 . 2 1138 . 110 ASP HB3 H 2.33 . 2 1139 . 110 ASP C C 175.7 . 1 1140 . 110 ASP CA C 54.6 . 1 1141 . 110 ASP CB C 42.7 . 1 1142 . 110 ASP N N 125.2 . 1 1143 . 111 VAL H H 7.51 . 1 1144 . 111 VAL HA H 4.35 . 1 1145 . 111 VAL HB H 1.75 . 1 1146 . 111 VAL HG1 H 0.78 . 2 1147 . 111 VAL HG2 H 0.72 . 2 1148 . 111 VAL CA C 59.2 . 1 1149 . 111 VAL CB C 36.5 . 1 1150 . 111 VAL CG1 C 21.4 . 2 1151 . 111 VAL CG2 C 21.9 . 2 1152 . 111 VAL N N 124.6 . 1 1153 . 112 PRO HA H 4.60 . 1 1154 . 112 PRO HB2 H 2.42 . 2 1155 . 112 PRO HB3 H 2.01 . 2 1156 . 112 PRO HG2 H 1.99 . 1 1157 . 112 PRO HG3 H 1.99 . 1 1158 . 112 PRO HD2 H 3.66 . 1 1159 . 112 PRO HD3 H 3.66 . 1 1160 . 112 PRO C C 172.3 . 1 1161 . 112 PRO CA C 62.7 . 1 1162 . 112 PRO CB C 32.8 . 1 1163 . 112 PRO CG C 27.1 . 1 1164 . 112 PRO CD C 51.5 . 1 1165 . 113 ASP H H 8.66 . 1 1166 . 113 ASP HA H 4.14 . 1 1167 . 113 ASP HB2 H 2.63 . 1 1168 . 113 ASP HB3 H 2.63 . 1 1169 . 113 ASP C C 178.2 . 1 1170 . 113 ASP CA C 57.4 . 1 1171 . 113 ASP CB C 40.7 . 1 1172 . 113 ASP N N 121.4 . 1 1173 . 114 GLU H H 9.08 . 1 1174 . 114 GLU HA H 3.96 . 1 1175 . 114 GLU HB2 H 1.98 . 1 1176 . 114 GLU HB3 H 1.98 . 1 1177 . 114 GLU HG2 H 2.31 . 1 1178 . 114 GLU HG3 H 2.31 . 1 1179 . 114 GLU C C 178.0 . 1 1180 . 114 GLU CA C 59.5 . 1 1181 . 114 GLU CB C 28.7 . 1 1182 . 114 GLU CG C 36.3 . 1 1183 . 114 GLU N N 114.8 . 1 1184 . 115 LEU H H 7.14 . 1 1185 . 115 LEU HA H 4.38 . 1 1186 . 115 LEU HB2 H 1.47 . 1 1187 . 115 LEU HB3 H 1.47 . 1 1188 . 115 LEU HG H 1.55 . 1 1189 . 115 LEU HD1 H 0.88 . 2 1190 . 115 LEU HD2 H 0.83 . 2 1191 . 115 LEU C C 178.6 . 1 1192 . 115 LEU CA C 56.0 . 1 1193 . 115 LEU CB C 42.4 . 1 1194 . 115 LEU CG C 27.6 . 1 1195 . 115 LEU CD1 C 24.6 . 2 1196 . 115 LEU CD2 C 23.9 . 2 1197 . 115 LEU N N 118.0 . 1 1198 . 116 ILE H H 7.35 . 1 1199 . 116 ILE HA H 3.26 . 1 1200 . 116 ILE HB H 2.04 . 1 1201 . 116 ILE HG12 H 1.44 . 1 1202 . 116 ILE HG13 H 1.44 . 1 1203 . 116 ILE HG2 H 0.77 . 1 1204 . 116 ILE HD1 H 0.58 . 1 1205 . 116 ILE C C 177.5 . 1 1206 . 116 ILE CA C 65.1 . 1 1207 . 116 ILE CB C 36.9 . 1 1208 . 116 ILE CG1 C 28.3 . 1 1209 . 116 ILE CG2 C 18.2 . 1 1210 . 116 ILE CD1 C 12.5 . 1 1211 . 116 ILE N N 119.3 . 1 1212 . 117 VAL H H 8.02 . 1 1213 . 117 VAL HA H 3.38 . 1 1214 . 117 VAL HB H 2.04 . 1 1215 . 117 VAL HG1 H 0.92 . 2 1216 . 117 VAL HG2 H 0.95 . 2 1217 . 117 VAL C C 177.4 . 1 1218 . 117 VAL CA C 68.0 . 1 1219 . 117 VAL CB C 31.2 . 1 1220 . 117 VAL CG1 C 21.5 . 2 1221 . 117 VAL CG2 C 22.8 . 2 1222 . 117 VAL N N 118.1 . 1 1223 . 118 ASP H H 7.73 . 1 1224 . 118 ASP HA H 4.51 . 1 1225 . 118 ASP HB2 H 2.75 . 1 1226 . 118 ASP HB3 H 2.75 . 1 1227 . 118 ASP C C 180.4 . 1 1228 . 118 ASP CA C 57.0 . 1 1229 . 118 ASP CB C 41.4 . 1 1230 . 118 ASP N N 116.4 . 1 1231 . 119 ARG H H 8.05 . 1 1232 . 119 ARG HA H 4.18 . 1 1233 . 119 ARG HB2 H 2.15 . 2 1234 . 119 ARG HB3 H 1.74 . 2 1235 . 119 ARG HG2 H 2.50 . 1 1236 . 119 ARG HG3 H 2.50 . 1 1237 . 119 ARG HD2 H 3.52 . 1 1238 . 119 ARG HD3 H 3.52 . 1 1239 . 119 ARG HE H 7.06 . 1 1240 . 119 ARG C C 175.1 . 1 1241 . 119 ARG CA C 59.9 . 1 1242 . 119 ARG CB C 31.1 . 1 1243 . 119 ARG CG C 27.4 . 1 1244 . 119 ARG CD C 44.3 . 1 1245 . 119 ARG N N 118.8 . 1 1246 . 119 ARG NE N 114.8 . 1 1247 . 120 ILE H H 8.16 . 1 1248 . 120 ILE HA H 3.82 . 1 1249 . 120 ILE HB H 1.87 . 1 1250 . 120 ILE HG12 H 1.56 . 1 1251 . 120 ILE HG13 H 1.56 . 1 1252 . 120 ILE HG2 H 0.86 . 1 1253 . 120 ILE HD1 H 0.66 . 1 1254 . 120 ILE C C 177.9 . 1 1255 . 120 ILE CA C 63.8 . 1 1256 . 120 ILE CB C 37.1 . 1 1257 . 120 ILE CG1 C 28.9 . 1 1258 . 120 ILE CG2 C 19.0 . 1 1259 . 120 ILE CD1 C 11.1 . 1 1260 . 120 ILE N N 116.6 . 1 1261 . 121 VAL H H 8.32 . 1 1262 . 121 VAL HA H 4.05 . 1 1263 . 121 VAL HB H 2.27 . 1 1264 . 121 VAL HG1 H 1.08 . 1 1265 . 121 VAL HG2 H 1.08 . 1 1266 . 121 VAL C C 177.9 . 1 1267 . 121 VAL CA C 65.2 . 1 1268 . 121 VAL CB C 31.5 . 1 1269 . 121 VAL CG1 C 21.2 . 1 1270 . 121 VAL CG2 C 21.2 . 1 1271 . 121 VAL N N 116.0 . 1 1272 . 122 GLY H H 7.22 . 1 1273 . 122 GLY HA2 H 3.99 . 2 1274 . 122 GLY HA3 H 2.85 . 2 1275 . 122 GLY C C 172.3 . 1 1276 . 122 GLY CA C 44.7 . 1 1277 . 122 GLY N N 104.3 . 1 1278 . 123 ARG H H 7.65 . 1 1279 . 123 ARG HA H 4.74 . 1 1280 . 123 ARG HB2 H 2.49 . 2 1281 . 123 ARG HB3 H 2.00 . 2 1282 . 123 ARG C C 177.9 . 1 1283 . 123 ARG CA C 57.7 . 1 1284 . 123 ARG CB C 31.1 . 1 1285 . 123 ARG CG C 25.9 . 1 1286 . 123 ARG N N 121.7 . 1 1287 . 124 ARG H H 8.38 . 1 1288 . 124 ARG HA H 5.04 . 1 1289 . 124 ARG HB2 H 1.58 . 2 1290 . 124 ARG HB3 H 1.40 . 2 1291 . 124 ARG C C 174.6 . 1 1292 . 124 ARG CA C 53.0 . 1 1293 . 124 ARG CB C 35.0 . 1 1294 . 124 ARG CG C 26.3 . 1 1295 . 124 ARG CD C 42.7 . 1 1296 . 124 ARG N N 128.6 . 1 1297 . 125 VAL H H 9.28 . 1 1298 . 125 VAL HA H 5.45 . 1 1299 . 125 VAL HB H 1.89 . 1 1300 . 125 VAL HG1 H 0.84 . 2 1301 . 125 VAL HG2 H 0.75 . 2 1302 . 125 VAL C C 174.7 . 1 1303 . 125 VAL CA C 59.1 . 1 1304 . 125 VAL CB C 36.0 . 1 1305 . 125 VAL CG1 C 21.0 . 2 1306 . 125 VAL CG2 C 19.7 . 2 1307 . 125 VAL N N 116.2 . 1 1308 . 126 HIS H H 9.11 . 1 1309 . 126 HIS HA H 4.96 . 1 1310 . 126 HIS HB2 H 3.38 . 2 1311 . 126 HIS HB3 H 2.78 . 2 1312 . 126 HIS HD1 H 8.73 . 1 1313 . 126 HIS HD2 H 6.93 . 1 1314 . 126 HIS C C 174.0 . 1 1315 . 126 HIS CA C 55.2 . 1 1316 . 126 HIS CB C 31.4 . 1 1317 . 126 HIS N N 125.3 . 1 1318 . 126 HIS ND1 N 115.7 . 1 1319 . 127 ALA H H 8.97 . 1 1320 . 127 ALA HA H 4.70 . 1 1321 . 127 ALA HB H 1.25 . 1 1322 . 127 ALA CA C 56.3 . 1 1323 . 127 ALA CB C 15.9 . 1 1324 . 127 ALA N N 129.0 . 1 1325 . 128 PRO HA H 4.09 . 1 1326 . 128 PRO HB2 H 2.30 . 2 1327 . 128 PRO HB3 H 1.54 . 2 1328 . 128 PRO HG2 H 1.98 . 1 1329 . 128 PRO HG3 H 1.98 . 1 1330 . 128 PRO HD2 H 3.71 . 2 1331 . 128 PRO HD3 H 3.46 . 2 1332 . 128 PRO C C 177.2 . 1 1333 . 128 PRO CA C 65.9 . 1 1334 . 128 PRO CB C 31.6 . 1 1335 . 128 PRO CG C 28.2 . 1 1336 . 128 PRO CD C 50.0 . 1 1337 . 129 SER H H 6.75 . 1 1338 . 129 SER HA H 4.53 . 1 1339 . 129 SER HB2 H 4.02 . 1 1340 . 129 SER HB3 H 4.02 . 1 1341 . 129 SER C C 176.5 . 1 1342 . 129 SER CA C 58.9 . 1 1343 . 129 SER CB C 65.1 . 1 1344 . 129 SER N N 107.3 . 1 1345 . 130 GLY H H 8.49 . 1 1346 . 130 GLY HA2 H 4.25 . 2 1347 . 130 GLY HA3 H 3.49 . 2 1348 . 130 GLY C C 174.4 . 1 1349 . 130 GLY CA C 45.3 . 1 1350 . 130 GLY N N 112.6 . 1 1351 . 131 ARG H H 8.40 . 1 1352 . 131 ARG HA H 3.93 . 1 1353 . 131 ARG HB2 H 1.40 . 1 1354 . 131 ARG HB3 H 1.40 . 1 1355 . 131 ARG HG2 H 1.01 . 1 1356 . 131 ARG HG3 H 1.01 . 1 1357 . 131 ARG HD2 H 2.43 . 2 1358 . 131 ARG HD3 H 2.11 . 2 1359 . 131 ARG C C 175.3 . 1 1360 . 131 ARG CA C 59.2 . 1 1361 . 131 ARG CB C 32.6 . 1 1362 . 131 ARG CG C 29.9 . 1 1363 . 131 ARG CD C 43.3 . 1 1364 . 131 ARG N N 121.6 . 1 1365 . 132 VAL H H 7.98 . 1 1366 . 132 VAL HA H 4.71 . 1 1367 . 132 VAL HB H 1.86 . 1 1368 . 132 VAL HG1 H 1.04 . 1 1369 . 132 VAL HG2 H 1.04 . 1 1370 . 132 VAL C C 175.2 . 1 1371 . 132 VAL CA C 61.2 . 1 1372 . 132 VAL CB C 34.8 . 1 1373 . 132 VAL CG1 C 22.0 . 2 1374 . 132 VAL CG2 C 21.4 . 2 1375 . 132 VAL N N 118.7 . 1 1376 . 133 TYR H H 9.27 . 1 1377 . 133 TYR HA H 4.82 . 1 1378 . 133 TYR HB2 H 3.16 . 2 1379 . 133 TYR HB3 H 2.32 . 2 1380 . 133 TYR HD1 H 6.90 . 1 1381 . 133 TYR HD2 H 6.90 . 1 1382 . 133 TYR HE1 H 6.79 . 1 1383 . 133 TYR HE2 H 6.79 . 1 1384 . 133 TYR C C 175.6 . 1 1385 . 133 TYR CA C 56.1 . 1 1386 . 133 TYR CB C 42.8 . 1 1387 . 133 TYR N N 124.9 . 1 1388 . 134 HIS H H 8.44 . 1 1389 . 134 HIS HA H 5.10 . 1 1390 . 134 HIS HB2 H 2.74 . 1 1391 . 134 HIS HB3 H 2.74 . 1 1392 . 134 HIS HD1 H 9.46 . 1 1393 . 134 HIS HD2 H 7.31 . 1 1394 . 134 HIS C C 177.3 . 1 1395 . 134 HIS CA C 57.5 . 1 1396 . 134 HIS CB C 33.7 . 1 1397 . 134 HIS N N 121.9 . 1 1398 . 134 HIS ND1 N 115.7 . 1 1399 . 135 VAL H H 7.94 . 1 1400 . 135 VAL HA H 3.73 . 1 1401 . 135 VAL HB H 2.10 . 1 1402 . 135 VAL HG1 H 0.90 . 2 1403 . 135 VAL HG2 H 0.80 . 2 1404 . 135 VAL C C 175.0 . 1 1405 . 135 VAL CA C 65.6 . 1 1406 . 135 VAL CB C 31.5 . 1 1407 . 135 VAL CG1 C 22.0 . 2 1408 . 135 VAL CG2 C 18.5 . 2 1409 . 135 VAL N N 119.9 . 1 1410 . 136 LYS H H 9.51 . 1 1411 . 136 LYS HA H 4.54 . 1 1412 . 136 LYS HB2 H 1.24 . 1 1413 . 136 LYS HB3 H 1.24 . 1 1414 . 136 LYS HG2 H 1.01 . 1 1415 . 136 LYS HG3 H 1.01 . 1 1416 . 136 LYS HD2 H 1.46 . 1 1417 . 136 LYS HD3 H 1.46 . 1 1418 . 136 LYS HE2 H 2.82 . 1 1419 . 136 LYS HE3 H 2.82 . 1 1420 . 136 LYS C C 178.3 . 1 1421 . 136 LYS CA C 57.2 . 1 1422 . 136 LYS CB C 35.6 . 1 1423 . 136 LYS CG C 25.0 . 1 1424 . 136 LYS CD C 28.9 . 1 1425 . 136 LYS CE C 41.9 . 1 1426 . 136 LYS N N 119.7 . 1 1427 . 137 PHE H H 9.05 . 1 1428 . 137 PHE HA H 4.71 . 1 1429 . 137 PHE HB2 H 3.19 . 2 1430 . 137 PHE HB3 H 2.40 . 2 1431 . 137 PHE HD1 H 7.46 . 1 1432 . 137 PHE HD2 H 7.46 . 1 1433 . 137 PHE HE1 H 7.20 . 1 1434 . 137 PHE HE2 H 7.20 . 1 1435 . 137 PHE C C 176.4 . 1 1436 . 137 PHE CA C 57.8 . 1 1437 . 137 PHE CB C 40.1 . 1 1438 . 137 PHE N N 117.7 . 1 1439 . 138 ASN H H 7.98 . 1 1440 . 138 ASN HA H 5.04 . 1 1441 . 138 ASN HB2 H 2.37 . 2 1442 . 138 ASN HB3 H 2.73 . 2 1443 . 138 ASN CA C 52.3 . 1 1444 . 138 ASN CB C 37.3 . 1 1445 . 138 ASN N N 112.9 . 1 1446 . 140 PRO HA H 4.56 . 1 1447 . 140 PRO HB2 H 2.19 . 2 1448 . 140 PRO HB3 H 1.34 . 2 1449 . 140 PRO HG2 H 1.66 . 2 1450 . 140 PRO HG3 H 1.41 . 2 1451 . 140 PRO HD2 H 3.64 . 1 1452 . 140 PRO HD3 H 3.64 . 1 1453 . 140 PRO C C 176.6 . 1 1454 . 140 PRO CA C 62.0 . 1 1455 . 140 PRO CB C 32.0 . 1 1456 . 140 PRO CG C 27.3 . 1 1457 . 140 PRO CD C 50.0 . 1 1458 . 141 LYS H H 10.09 . 1 1459 . 141 LYS HA H 3.84 . 1 1460 . 141 LYS HB2 H 1.67 . 1 1461 . 141 LYS HB3 H 1.67 . 1 1462 . 141 LYS HG2 H 1.42 . 1 1463 . 141 LYS HG3 H 1.42 . 1 1464 . 141 LYS HD2 H 1.53 . 1 1465 . 141 LYS HD3 H 1.53 . 1 1466 . 141 LYS HE2 H 2.95 . 1 1467 . 141 LYS HE3 H 2.95 . 1 1468 . 141 LYS C C 177.3 . 1 1469 . 141 LYS CA C 59.3 . 1 1470 . 141 LYS CB C 32.6 . 1 1471 . 141 LYS CG C 25.4 . 1 1472 . 141 LYS CD C 29.0 . 1 1473 . 141 LYS CE C 42.2 . 1 1474 . 141 LYS N N 123.6 . 1 1475 . 142 VAL H H 8.78 . 1 1476 . 142 VAL HA H 3.88 . 1 1477 . 142 VAL HB H 1.63 . 1 1478 . 142 VAL HG1 H 0.80 . 1 1479 . 142 VAL HG2 H 0.80 . 1 1480 . 142 VAL C C 174.2 . 1 1481 . 142 VAL CA C 61.3 . 1 1482 . 142 VAL CB C 33.1 . 1 1483 . 142 VAL CG1 C 21.0 . 1 1484 . 142 VAL CG2 C 21.0 . 1 1485 . 142 VAL N N 120.3 . 1 1486 . 143 GLU H H 8.10 . 1 1487 . 143 GLU HA H 3.70 . 1 1488 . 143 GLU HB2 H 1.91 . 2 1489 . 143 GLU HB3 H 1.81 . 2 1490 . 143 GLU HG2 H 2.23 . 2 1491 . 143 GLU HG3 H 2.08 . 2 1492 . 143 GLU C C 177.3 . 1 1493 . 143 GLU CA C 58.5 . 1 1494 . 143 GLU CB C 29.8 . 1 1495 . 143 GLU CG C 35.7 . 1 1496 . 143 GLU N N 125.28 . 1 1497 . 144 GLY H H 8.71 . 1 1498 . 144 GLY HA2 H 4.07 . 2 1499 . 144 GLY HA3 H 3.47 . 2 1500 . 144 GLY C C 173.7 . 1 1501 . 144 GLY CA C 45.6 . 1 1502 . 144 GLY N N 111.2 . 1 1503 . 145 LYS H H 7.95 . 1 1504 . 145 LYS HA H 4.83 . 1 1505 . 145 LYS HB2 H 1.36 . 2 1506 . 145 LYS HB3 H 1.16 . 2 1507 . 145 LYS HG2 H 1.05 . 1 1508 . 145 LYS HG3 H 1.05 . 1 1509 . 145 LYS HD2 H 1.50 . 1 1510 . 145 LYS HD3 H 1.50 . 1 1511 . 145 LYS HE2 H 2.90 . 1 1512 . 145 LYS HE3 H 2.90 . 1 1513 . 145 LYS C C 175.3 . 1 1514 . 145 LYS CA C 53.7 . 1 1515 . 145 LYS CB C 36.0 . 1 1516 . 145 LYS CG C 24.7 . 1 1517 . 145 LYS CD C 28.3 . 1 1518 . 145 LYS CE C 42.5 . 1 1519 . 145 LYS N N 119.2 . 1 1520 . 146 ASP H H 9.01 . 1 1521 . 146 ASP HA H 3.98 . 1 1522 . 146 ASP HB2 H 2.44 . 2 1523 . 146 ASP HB3 H 2.15 . 2 1524 . 146 ASP C C 177.2 . 1 1525 . 146 ASP CA C 54.2 . 1 1526 . 146 ASP CB C 43.7 . 1 1527 . 146 ASP N N 119.6 . 1 1528 . 147 ASP H H 7.91 . 1 1529 . 147 ASP HA H 4.22 . 1 1530 . 147 ASP HB2 H 2.75 . 2 1531 . 147 ASP HB3 H 2.66 . 2 1532 . 147 ASP C C 176.4 . 1 1533 . 147 ASP CA C 57.3 . 1 1534 . 147 ASP CB C 40.8 . 1 1535 . 147 ASP N N 126.7 . 1 1536 . 148 VAL H H 6.33 . 1 1537 . 148 VAL HA H 3.73 . 1 1538 . 148 VAL HB H 1.98 . 1 1539 . 148 VAL HG1 H 0.92 . 2 1540 . 148 VAL HG2 H 0.80 . 2 1541 . 148 VAL C C 177.5 . 1 1542 . 148 VAL CA C 65.2 . 1 1543 . 148 VAL CB C 32.8 . 1 1544 . 148 VAL CG1 C 21.8 . 2 1545 . 148 VAL CG2 C 20.7 . 2 1546 . 148 VAL N N 114.9 . 1 1547 . 149 THR H H 7.49 . 1 1548 . 149 THR HA H 4.34 . 1 1549 . 149 THR HB H 4.19 . 1 1550 . 149 THR HG2 H 1.09 . 1 1551 . 149 THR C C 176.6 . 1 1552 . 149 THR CA C 62.3 . 1 1553 . 149 THR CB C 73.0 . 1 1554 . 149 THR CG2 C 21.7 . 1 1555 . 149 THR N N 105.3 . 1 1556 . 150 GLY H H 7.82 . 1 1557 . 150 GLY HA2 H 4.13 . 2 1558 . 150 GLY HA3 H 3.67 . 2 1559 . 150 GLY C C 173.5 . 1 1560 . 150 GLY CA C 45.9 . 1 1561 . 150 GLY N N 110.7 . 1 1562 . 151 GLU H H 7.61 . 1 1563 . 151 GLU HA H 4.20 . 1 1564 . 151 GLU HB2 H 2.23 . 2 1565 . 151 GLU HB3 H 1.97 . 2 1566 . 151 GLU HG2 H 2.44 . 1 1567 . 151 GLU HG3 H 2.44 . 1 1568 . 151 GLU C C 176.0 . 1 1569 . 151 GLU CA C 55.8 . 1 1570 . 151 GLU CB C 31.2 . 1 1571 . 151 GLU CG C 36.9 . 1 1572 . 151 GLU N N 118.4 . 1 1573 . 152 GLU H H 8.65 . 1 1574 . 152 GLU HA H 4.53 . 1 1575 . 152 GLU HB2 H 2.03 . 1 1576 . 152 GLU HB3 H 2.03 . 1 1577 . 152 GLU HG2 H 2.38 . 1 1578 . 152 GLU HG3 H 2.38 . 1 1579 . 152 GLU C C 177.9 . 1 1580 . 152 GLU CA C 57.6 . 1 1581 . 152 GLU CB C 30.3 . 1 1582 . 152 GLU CG C 36.3 . 1 1583 . 152 GLU N N 119.5 . 1 1584 . 153 LEU H H 7.90 . 1 1585 . 153 LEU HA H 4.70 . 1 1586 . 153 LEU HB2 H 1.44 . 2 1587 . 153 LEU HB3 H 1.23 . 2 1588 . 153 LEU HG H 1.12 . 1 1589 . 153 LEU HD1 H 0.14 . 2 1590 . 153 LEU HD2 H 0.67 . 2 1591 . 153 LEU C C 177.0 . 1 1592 . 153 LEU CA C 53.3 . 1 1593 . 153 LEU CB C 43.0 . 1 1594 . 153 LEU CG C 26.7 . 1 1595 . 153 LEU CD1 C 24.9 . 2 1596 . 153 LEU CD2 C 23.3 . 2 1597 . 153 LEU N N 120.7 . 1 1598 . 154 THR H H 9.31 . 1 1599 . 154 THR HA H 4.79 . 1 1600 . 154 THR HB H 4.25 . 1 1601 . 154 THR HG2 H 1.17 . 1 1602 . 154 THR C C 173.6 . 1 1603 . 154 THR CA C 59.9 . 1 1604 . 154 THR CB C 72.0 . 1 1605 . 154 THR CG2 C 21.3 . 1 1606 . 154 THR N N 113.4 . 1 1607 . 155 THR H H 8.27 . 1 1608 . 155 THR HA H 4.73 . 1 1609 . 155 THR HB H 4.12 . 1 1610 . 155 THR HG2 H 1.31 . 1 1611 . 155 THR C C 175.7 . 1 1612 . 155 THR CA C 60.3 . 1 1613 . 155 THR CB C 70.4 . 1 1614 . 155 THR CG2 C 21.9 . 1 1615 . 155 THR N N 113.1 . 1 1616 . 156 ARG H H 9.73 . 1 1617 . 156 ARG HA H 4.25 . 1 1618 . 156 ARG HB2 H 2.00 . 2 1619 . 156 ARG HB3 H 1.88 . 2 1620 . 156 ARG HG2 H 2.19 . 1 1621 . 156 ARG HG3 H 2.19 . 1 1622 . 156 ARG C C 176.6 . 1 1623 . 156 ARG CA C 56.6 . 1 1624 . 156 ARG CB C 30.7 . 1 1625 . 156 ARG CG C 36.2 . 1 1626 . 156 ARG N N 126.1 . 1 1627 . 157 LYS H H 8.55 . 1 1628 . 157 LYS HA H 4.00 . 1 1629 . 157 LYS HB2 H 1.83 . 1 1630 . 157 LYS HB3 H 1.83 . 1 1631 . 157 LYS HG2 H 1.48 . 1 1632 . 157 LYS HG3 H 1.48 . 1 1633 . 157 LYS HD2 H 1.66 . 1 1634 . 157 LYS HD3 H 1.66 . 1 1635 . 157 LYS HE2 H 2.96 . 1 1636 . 157 LYS HE3 H 2.96 . 1 1637 . 157 LYS C C 177.5 . 1 1638 . 157 LYS CA C 58.8 . 1 1639 . 157 LYS CB C 32.1 . 1 1640 . 157 LYS CG C 24.9 . 1 1641 . 157 LYS CD C 28.8 . 1 1642 . 157 LYS CE C 42.2 . 1 1643 . 157 LYS N N 121.6 . 1 1644 . 158 ASP H H 8.68 . 1 1645 . 158 ASP HA H 4.57 . 1 1646 . 158 ASP HB2 H 2.80 . 2 1647 . 158 ASP HB3 H 2.67 . 2 1648 . 158 ASP C C 175.6 . 1 1649 . 158 ASP CA C 53.6 . 1 1650 . 158 ASP CB C 38.6 . 1 1651 . 158 ASP N N 112.7 . 1 1652 . 159 ASP H H 7.30 . 1 1653 . 159 ASP HA H 4.70 . 1 1654 . 159 ASP HB2 H 3.00 . 2 1655 . 159 ASP HB3 H 2.69 . 2 1656 . 159 ASP C C 175.2 . 1 1657 . 159 ASP CA C 53.8 . 1 1658 . 159 ASP CB C 39.4 . 1 1659 . 159 ASP N N 121.5 . 1 1660 . 160 GLN H H 7.06 . 1 1661 . 160 GLN HA H 4.36 . 1 1662 . 160 GLN HB2 H 2.31 . 2 1663 . 160 GLN HB3 H 2.04 . 2 1664 . 160 GLN HG2 H 2.52 . 1 1665 . 160 GLN HG3 H 2.52 . 1 1666 . 160 GLN HE21 H 7.55 . 2 1667 . 160 GLN HE22 H 6.93 . 2 1668 . 160 GLN C C 177.2 . 1 1669 . 160 GLN CA C 55.4 . 1 1670 . 160 GLN CB C 30.0 . 1 1671 . 160 GLN CG C 34.0 . 1 1672 . 160 GLN N N 117.5 . 1 1673 . 160 GLN NE2 N 111.9 . 1 1674 . 161 GLU H H 9.18 . 1 1675 . 161 GLU HA H 3.67 . 1 1676 . 161 GLU HB2 H 2.13 . 2 1677 . 161 GLU HB3 H 1.98 . 2 1678 . 161 GLU HG2 H 2.22 . 1 1679 . 161 GLU HG3 H 2.22 . 1 1680 . 161 GLU C C 177.4 . 1 1681 . 161 GLU CA C 61.3 . 1 1682 . 161 GLU CB C 29.4 . 1 1683 . 161 GLU CG C 36.1 . 1 1684 . 161 GLU N N 124.6 . 1 1685 . 162 GLU H H 9.13 . 1 1686 . 162 GLU HA H 4.03 . 1 1687 . 162 GLU HB2 H 2.09 . 2 1688 . 162 GLU HB3 H 1.98 . 2 1689 . 162 GLU HG2 H 2.31 . 1 1690 . 162 GLU HG3 H 2.31 . 1 1691 . 162 GLU C C 178.8 . 1 1692 . 162 GLU CA C 59.9 . 1 1693 . 162 GLU CB C 29.2 . 1 1694 . 162 GLU CG C 36.4 . 1 1695 . 162 GLU N N 116.2 . 1 1696 . 163 THR H H 7.29 . 1 1697 . 163 THR HA H 3.95 . 1 1698 . 163 THR HB H 4.26 . 1 1699 . 163 THR HG2 H 1.25 . 1 1700 . 163 THR C C 176.6 . 1 1701 . 163 THR CA C 65.9 . 1 1702 . 163 THR CB C 67.9 . 1 1703 . 163 THR CG2 C 23.7 . 1 1704 . 163 THR N N 115.6 . 1 1705 . 164 VAL H H 8.50 . 1 1706 . 164 VAL HA H 3.47 . 1 1707 . 164 VAL HB H 2.19 . 1 1708 . 164 VAL HG1 H 0.97 . 2 1709 . 164 VAL HG2 H 0.86 . 2 1710 . 164 VAL C C 177.7 . 1 1711 . 164 VAL CA C 67.0 . 1 1712 . 164 VAL CB C 31.2 . 1 1713 . 164 VAL CG1 C 22.2 . 2 1714 . 164 VAL CG2 C 24.3 . 2 1715 . 164 VAL N N 123.5 . 1 1716 . 165 ARG H H 8.15 . 1 1717 . 165 ARG HA H 3.96 . 1 1718 . 165 ARG HB2 H 1.90 . 1 1719 . 165 ARG HB3 H 1.90 . 1 1720 . 165 ARG HG2 H 1.58 . 1 1721 . 165 ARG HG3 H 1.58 . 1 1722 . 165 ARG HD2 H 3.18 . 1 1723 . 165 ARG HD3 H 3.18 . 1 1724 . 165 ARG HE H 7.77 . 1 1725 . 165 ARG C C 179.5 . 1 1726 . 165 ARG CA C 60.7 . 1 1727 . 165 ARG CB C 29.2 . 1 1728 . 165 ARG CG C 26.8 . 1 1729 . 165 ARG CD C 43.1 . 1 1730 . 165 ARG N N 117.3 . 1 1731 . 165 ARG NE N 114.5 . 1 1732 . 166 LYS H H 7.47 . 1 1733 . 166 LYS HA H 4.12 . 1 1734 . 166 LYS HB2 H 2.11 . 1 1735 . 166 LYS HB3 H 2.11 . 1 1736 . 166 LYS HG2 H 1.58 . 1 1737 . 166 LYS HG3 H 1.58 . 1 1738 . 166 LYS HD2 H 1.74 . 1 1739 . 166 LYS HD3 H 1.74 . 1 1740 . 166 LYS HE2 H 2.95 . 1 1741 . 166 LYS HE3 H 2.95 . 1 1742 . 166 LYS C C 179.3 . 1 1743 . 166 LYS CA C 59.8 . 1 1744 . 166 LYS CB C 32.3 . 1 1745 . 166 LYS CG C 25.3 . 1 1746 . 166 LYS CD C 29.3 . 1 1747 . 166 LYS CE C 42.3 . 1 1748 . 166 LYS N N 119.3 . 1 1749 . 167 ARG H H 8.47 . 1 1750 . 167 ARG HA H 4.25 . 1 1751 . 167 ARG HB2 H 2.04 . 2 1752 . 167 ARG HB3 H 1.84 . 2 1753 . 167 ARG HG2 H 1.92 . 1 1754 . 167 ARG HG3 H 1.92 . 1 1755 . 167 ARG HE H 7.16 . 1 1756 . 167 ARG C C 175.4 . 1 1757 . 167 ARG CA C 59.7 . 1 1758 . 167 ARG CB C 30.5 . 1 1759 . 167 ARG CG C 30.6 . 1 1760 . 167 ARG CD C 44.9 . 1 1761 . 167 ARG N N 119.6 . 1 1762 . 167 ARG NE N 112.3 . 1 1763 . 168 LEU H H 8.53 . 1 1764 . 168 LEU HA H 3.65 . 1 1765 . 168 LEU HB2 H 2.19 . 1 1766 . 168 LEU HB3 H 2.19 . 1 1767 . 168 LEU HG H 1.79 . 1 1768 . 168 LEU HD1 H 0.94 . 2 1769 . 168 LEU HD2 H 0.71 . 2 1770 . 168 LEU C C 178.1 . 1 1771 . 168 LEU CA C 57.9 . 1 1772 . 168 LEU CB C 41.7 . 1 1773 . 168 LEU CG C 26.7 . 1 1774 . 168 LEU CD1 C 26.8 . 2 1775 . 168 LEU CD2 C 24.8 . 2 1776 . 168 LEU N N 122.9 . 1 1777 . 169 VAL H H 8.27 . 1 1778 . 169 VAL HA H 3.83 . 1 1779 . 169 VAL HB H 2.29 . 1 1780 . 169 VAL HG1 H 1.19 . 2 1781 . 169 VAL HG2 H 1.03 . 2 1782 . 169 VAL C C 173.7 . 1 1783 . 169 VAL CA C 59.5 . 1 1784 . 169 VAL CB C 29.8 . 1 1785 . 169 VAL CG1 C 22.8 . 2 1786 . 169 VAL CG2 C 21.2 . 2 1787 . 169 VAL N N 119.0 . 1 1788 . 170 GLU H H 7.96 . 1 1789 . 170 GLU HA H 4.26 . 1 1790 . 170 GLU HB2 H 2.12 . 1 1791 . 170 GLU HB3 H 2.12 . 1 1792 . 170 GLU HG2 H 2.38 . 1 1793 . 170 GLU HG3 H 2.38 . 1 1794 . 170 GLU C C 178.1 . 1 1795 . 170 GLU CA C 59.3 . 1 1796 . 170 GLU CB C 29.4 . 1 1797 . 170 GLU CG C 35.9 . 1 1798 . 170 GLU N N 118.8 . 1 1799 . 171 TYR H H 8.24 . 1 1800 . 171 TYR HA H 4.08 . 1 1801 . 171 TYR HB2 H 3.28 . 2 1802 . 171 TYR HB3 H 3.05 . 2 1803 . 171 TYR HD1 H 7.20 . 1 1804 . 171 TYR HD2 H 7.20 . 1 1805 . 171 TYR C C 177.9 . 1 1806 . 171 TYR CA C 61.4 . 1 1807 . 171 TYR CB C 37.6 . 1 1808 . 171 TYR N N 119.5 . 1 1809 . 172 HIS H H 8.52 . 1 1810 . 172 HIS HA H 4.08 . 1 1811 . 172 HIS HB2 H 3.33 . 1 1812 . 172 HIS HB3 H 3.19 . 1 1813 . 172 HIS HD1 H 6.13 . 1 1814 . 172 HIS HD2 H 7.39 . 1 1815 . 172 HIS C C 176.2 . 1 1816 . 172 HIS CA C 60.2 . 1 1817 . 172 HIS CB C 33.7 . 1 1818 . 172 HIS N N 119.0 . 1 1819 . 172 HIS ND1 N 111.1 . 1 1820 . 173 GLN H H 8.04 . 1 1821 . 173 GLN HA H 4.22 . 1 1822 . 173 GLN HB2 H 2.16 . 2 1823 . 173 GLN HB3 H 2.05 . 2 1824 . 173 GLN HG2 H 2.47 . 1 1825 . 173 GLN HG3 H 2.47 . 1 1826 . 173 GLN HE21 H 7.33 . 2 1827 . 173 GLN HE22 H 6.78 . 2 1828 . 173 GLN C C 177.2 . 1 1829 . 173 GLN CA C 58.3 . 1 1830 . 173 GLN CB C 30.0 . 1 1831 . 173 GLN CG C 33.9 . 1 1832 . 173 GLN N N 115.3 . 1 1833 . 173 GLN NE2 N 111.0 . 1 1834 . 174 MET H H 8.57 . 1 1835 . 174 MET HA H 4.63 . 1 1836 . 174 MET HB2 H 2.16 . 1 1837 . 174 MET HB3 H 2.16 . 1 1838 . 174 MET HG2 H 2.67 . 1 1839 . 174 MET HG3 H 2.67 . 1 1840 . 174 MET C C 176.6 . 1 1841 . 174 MET CA C 55.6 . 1 1842 . 174 MET CB C 33.2 . 1 1843 . 174 MET CG C 32.0 . 1 1844 . 174 MET N N 112.5 . 1 1845 . 175 THR H H 7.83 . 1 1846 . 175 THR HA H 4.37 . 1 1847 . 175 THR HB H 3.89 . 1 1848 . 175 THR HG2 H 1.29 . 1 1849 . 175 THR C C 174.8 . 1 1850 . 175 THR CA C 63.2 . 1 1851 . 175 THR CB C 69.0 . 1 1852 . 175 THR CG2 C 24.4 . 1 1853 . 175 THR N N 116.6 . 1 1854 . 176 ALA H H 7.80 . 1 1855 . 176 ALA HA H 4.70 . 1 1856 . 176 ALA HB H 1.36 . 1 1857 . 176 ALA CA C 56.3 . 1 1858 . 176 ALA CB C 16.7 . 1 1859 . 176 ALA N N 125.2 . 1 1860 . 177 PRO HA H 4.45 . 1 1861 . 177 PRO HB2 H 2.46 . 2 1862 . 177 PRO HB3 H 1.35 . 2 1863 . 177 PRO HG2 H 1.92 . 1 1864 . 177 PRO HG3 H 1.92 . 1 1865 . 177 PRO C C 177.9 . 1 1866 . 177 PRO CA C 65.9 . 1 1867 . 177 PRO CB C 31.8 . 1 1868 . 177 PRO CG C 28.4 . 1 1869 . 177 PRO CD C 51.1 . 1 1870 . 178 LEU H H 8.66 . 1 1871 . 178 LEU HA H 4.08 . 1 1872 . 178 LEU HB2 H 1.39 . 1 1873 . 178 LEU HB3 H 1.39 . 1 1874 . 178 LEU HG H 1.46 . 1 1875 . 178 LEU HD1 H 0.56 . 2 1876 . 178 LEU HD2 H 0.29 . 2 1877 . 178 LEU C C 178.2 . 1 1878 . 178 LEU CA C 56.7 . 1 1879 . 178 LEU CB C 41.6 . 1 1880 . 178 LEU CG C 24.0 . 1 1881 . 178 LEU CD1 C 26.1 . 2 1882 . 178 LEU CD2 C 23.5 . 2 1883 . 178 LEU N N 117.0 . 1 1884 . 179 ILE H H 8.09 . 1 1885 . 179 ILE HA H 4.00 . 1 1886 . 179 ILE HB H 1.85 . 1 1887 . 179 ILE HG12 H 1.64 . 1 1888 . 179 ILE HG13 H 1.64 . 1 1889 . 179 ILE HG2 H 0.85 . 1 1890 . 179 ILE HD1 H 0.97 . 1 1891 . 179 ILE C C 176.7 . 1 1892 . 179 ILE CA C 65.2 . 1 1893 . 179 ILE CB C 38.4 . 1 1894 . 179 ILE CG1 C 29.3 . 1 1895 . 179 ILE CG2 C 15.3 . 1 1896 . 179 ILE CD1 C 13.1 . 1 1897 . 179 ILE N N 122.8 . 1 1898 . 180 GLY H H 7.71 . 1 1899 . 180 GLY HA2 H 3.77 . 1 1900 . 180 GLY HA3 H 3.77 . 1 1901 . 180 GLY C C 175.9 . 1 1902 . 180 GLY CA C 47.0 . 1 1903 . 180 GLY N N 108.8 . 1 1904 . 181 TYR H H 7.58 . 1 1905 . 181 TYR HA H 3.89 . 1 1906 . 181 TYR HB2 H 3.04 . 2 1907 . 181 TYR HB3 H 2.65 . 2 1908 . 181 TYR HD1 H 7.34 . 1 1909 . 181 TYR HD2 H 7.34 . 1 1910 . 181 TYR HE1 H 6.49 . 1 1911 . 181 TYR HE2 H 6.49 . 1 1912 . 181 TYR C C 178.8 . 1 1913 . 181 TYR CA C 61.3 . 1 1914 . 181 TYR CB C 40.0 . 1 1915 . 181 TYR N N 122.6 . 1 1916 . 182 TYR H H 9.02 . 1 1917 . 182 TYR HA H 4.53 . 1 1918 . 182 TYR HB2 H 3.25 . 2 1919 . 182 TYR HB3 H 3.10 . 2 1920 . 182 TYR HD1 H 7.47 . 1 1921 . 182 TYR HD2 H 7.47 . 1 1922 . 182 TYR HE1 H 6.52 . 1 1923 . 182 TYR HE2 H 6.52 . 1 1924 . 182 TYR C C 180.1 . 1 1925 . 182 TYR CA C 63.2 . 1 1926 . 182 TYR CB C 38.0 . 1 1927 . 182 TYR N N 116.4 . 1 1928 . 183 SER H H 8.29 . 1 1929 . 183 SER HA H 3.74 . 1 1930 . 183 SER HB2 H 3.48 . 2 1931 . 183 SER HB3 H 3.80 . 2 1932 . 183 SER C C 177.1 . 1 1933 . 183 SER CA C 62.8 . 1 1934 . 183 SER CB C 61.9 . 1 1935 . 183 SER N N 119.3 . 1 1936 . 184 LYS H H 7.68 . 1 1937 . 184 LYS HA H 4.11 . 1 1938 . 184 LYS HB2 H 2.02 . 1 1939 . 184 LYS HB3 H 2.02 . 1 1940 . 184 LYS HG2 H 1.38 . 1 1941 . 184 LYS HG3 H 1.38 . 1 1942 . 184 LYS HD2 H 1.64 . 1 1943 . 184 LYS HD3 H 1.64 . 1 1944 . 184 LYS HE2 H 2.93 . 1 1945 . 184 LYS HE3 H 2.93 . 1 1946 . 184 LYS C C 181.3 . 1 1947 . 184 LYS CA C 59.8 . 1 1948 . 184 LYS CB C 32.3 . 1 1949 . 184 LYS CG C 24.8 . 1 1950 . 184 LYS CD C 29.5 . 1 1951 . 184 LYS CE C 41.8 . 1 1952 . 184 LYS N N 122.9 . 1 1953 . 185 GLU H H 8.62 . 1 1954 . 185 GLU HA H 4.00 . 1 1955 . 185 GLU HB2 H 2.33 . 2 1956 . 185 GLU HB3 H 2.11 . 2 1957 . 185 GLU HG2 H 2.15 . 2 1958 . 185 GLU HG3 H 2.00 . 2 1959 . 185 GLU C C 178.7 . 1 1960 . 185 GLU CA C 58.8 . 1 1961 . 185 GLU CB C 30.0 . 1 1962 . 185 GLU CG C 35.7 . 1 1963 . 185 GLU N N 120.5 . 1 1964 . 186 ALA H H 8.28 . 1 1965 . 186 ALA HA H 4.53 . 1 1966 . 186 ALA HB H 1.72 . 1 1967 . 186 ALA C C 181.8 . 1 1968 . 186 ALA CA C 54.4 . 1 1969 . 186 ALA CB C 19.1 . 1 1970 . 186 ALA N N 122.3 . 1 1971 . 187 GLU H H 8.10 . 1 1972 . 187 GLU HA H 4.01 . 1 1973 . 187 GLU HB2 H 2.09 . 1 1974 . 187 GLU HB3 H 2.09 . 1 1975 . 187 GLU HG2 H 2.41 . 2 1976 . 187 GLU HG3 H 2.23 . 2 1977 . 187 GLU C C 178.0 . 1 1978 . 187 GLU CA C 59.2 . 1 1979 . 187 GLU CB C 29.5 . 1 1980 . 187 GLU CG C 36.4 . 1 1981 . 187 GLU N N 122.2 . 1 1982 . 188 ALA H H 7.44 . 1 1983 . 188 ALA HA H 4.28 . 1 1984 . 188 ALA HB H 1.42 . 1 1985 . 188 ALA C C 177.5 . 1 1986 . 188 ALA CA C 52.4 . 1 1987 . 188 ALA CB C 18.9 . 1 1988 . 188 ALA N N 118.4 . 1 1989 . 189 GLY H H 7.86 . 1 1990 . 189 GLY HA2 H 4.17 . 2 1991 . 189 GLY HA3 H 3.86 . 2 1992 . 189 GLY C C 177.5 . 1 1993 . 189 GLY CA C 45.1 . 1 1994 . 189 GLY N N 104.9 . 1 1995 . 190 ASN H H 8.16 . 1 1996 . 190 ASN HA H 4.70 . 1 1997 . 190 ASN HB2 H 2.94 . 2 1998 . 190 ASN HB3 H 2.65 . 2 1999 . 190 ASN C C 174.4 . 1 2000 . 190 ASN CA C 54.0 . 1 2001 . 190 ASN CB C 39.2 . 1 2002 . 190 ASN N N 116.5 . 1 2003 . 191 THR H H 7.48 . 1 2004 . 191 THR HA H 4.29 . 1 2005 . 191 THR HB H 4.09 . 1 2006 . 191 THR C C 180.2 . 1 2007 . 191 THR CA C 61.0 . 1 2008 . 191 THR CB C 68.3 . 1 2009 . 191 THR N N 112.4 . 1 2010 . 192 LYS H H 7.79 . 1 2011 . 192 LYS HA H 4.62 . 1 2012 . 192 LYS HB2 H 1.30 . 1 2013 . 192 LYS HB3 H 1.30 . 1 2014 . 192 LYS HG2 H 1.24 . 1 2015 . 192 LYS HG3 H 1.24 . 1 2016 . 192 LYS HD2 H 1.60 . 1 2017 . 192 LYS HD3 H 1.60 . 1 2018 . 192 LYS HE2 H 2.86 . 1 2019 . 192 LYS HE3 H 2.86 . 1 2020 . 192 LYS C C 173.8 . 1 2021 . 192 LYS CA C 55.9 . 1 2022 . 192 LYS CB C 33.7 . 1 2023 . 192 LYS CG C 25.3 . 1 2024 . 192 LYS CD C 29.1 . 1 2025 . 192 LYS CE C 42.0 . 1 2026 . 192 LYS N N 122.8 . 1 2027 . 193 TYR H H 8.62 . 1 2028 . 193 TYR HA H 5.39 . 1 2029 . 193 TYR HB2 H 2.96 . 2 2030 . 193 TYR HB3 H 2.44 . 2 2031 . 193 TYR HD1 H 6.6 . 1 2032 . 193 TYR HD2 H 6.6 . 1 2033 . 193 TYR HE1 H 6.90 . 1 2034 . 193 TYR HE2 H 6.90 . 1 2035 . 193 TYR C C 175.2 . 1 2036 . 193 TYR CA C 56.4 . 1 2037 . 193 TYR CB C 43.4 . 1 2038 . 193 TYR N N 125.3 . 1 2039 . 194 ALA H H 8.53 . 1 2040 . 194 ALA HA H 4.66 . 1 2041 . 194 ALA HB H 1.25 . 1 2042 . 194 ALA C C 173.3 . 1 2043 . 194 ALA CA C 51.6 . 1 2044 . 194 ALA CB C 22.7 . 1 2045 . 194 ALA N N 131.0 . 1 2046 . 195 LYS H H 8.38 . 1 2047 . 195 LYS HA H 4.98 . 1 2048 . 195 LYS HB2 H 1.70 . 1 2049 . 195 LYS HB3 H 1.70 . 1 2050 . 195 LYS HG2 H 1.22 . 1 2051 . 195 LYS HG3 H 1.22 . 1 2052 . 195 LYS HD2 H 1.33 . 1 2053 . 195 LYS HD3 H 1.33 . 1 2054 . 195 LYS HE2 H 2.91 . 1 2055 . 195 LYS HE3 H 2.91 . 1 2056 . 195 LYS C C 175.5 . 1 2057 . 195 LYS CA C 55.1 . 1 2058 . 195 LYS CB C 34.7 . 1 2059 . 195 LYS CG C 24.9 . 1 2060 . 195 LYS CD C 29.5 . 1 2061 . 195 LYS CE C 41.6 . 1 2062 . 195 LYS N N 122.0 . 1 2063 . 196 VAL H H 9.26 . 1 2064 . 196 VAL HA H 4.21 . 1 2065 . 196 VAL HB H 1.62 . 1 2066 . 196 VAL HG1 H 0.46 . 2 2067 . 196 VAL HG2 H 0.31 . 2 2068 . 196 VAL C C 174.0 . 1 2069 . 196 VAL CA C 59.8 . 1 2070 . 196 VAL CB C 34.4 . 1 2071 . 196 VAL CG1 C 21.0 . 2 2072 . 196 VAL CG2 C 19.9 . 2 2073 . 196 VAL N N 124.9 . 1 2074 . 197 ASP H H 8.74 . 1 2075 . 197 ASP HA H 4.68 . 1 2076 . 197 ASP HB2 H 2.88 . 2 2077 . 197 ASP HB3 H 2.64 . 2 2078 . 197 ASP C C 176.2 . 1 2079 . 197 ASP CA C 53.1 . 1 2080 . 197 ASP CB C 39.6 . 1 2081 . 197 ASP N N 123.7 . 1 2082 . 198 GLY H H 8.38 . 1 2083 . 198 GLY HA2 H 4.34 . 2 2084 . 198 GLY HA3 H 3.32 . 2 2085 . 198 GLY C C 175.5 . 1 2086 . 198 GLY CA C 45.8 . 1 2087 . 198 GLY N N 111.6 . 1 2088 . 199 THR H H 8.77 . 1 2089 . 199 THR HA H 3.82 . 1 2090 . 199 THR HB H 4.17 . 1 2091 . 199 THR HG2 H 1.35 . 1 2092 . 199 THR C C 174.9 . 1 2093 . 199 THR CA C 63.3 . 1 2094 . 199 THR CB C 69.0 . 1 2095 . 199 THR CG2 C 23.0 . 1 2096 . 199 THR N N 111.7 . 1 2097 . 200 LYS H H 6.38 . 1 2098 . 200 LYS HA H 4.70 . 1 2099 . 200 LYS HB2 H 1.87 . 1 2100 . 200 LYS HB3 H 1.87 . 1 2101 . 200 LYS CA C 55.7 . 1 2102 . 200 LYS CB C 31.5 . 1 2103 . 200 LYS N N 122.2 . 1 2104 . 201 PRO HA H 4.52 . 1 2105 . 201 PRO HB2 H 2.48 . 2 2106 . 201 PRO HB3 H 1.71 . 2 2107 . 201 PRO HG2 H 2.07 . 1 2108 . 201 PRO HG3 H 2.07 . 1 2109 . 201 PRO HD2 H 3.82 . 1 2110 . 201 PRO HD3 H 3.82 . 1 2111 . 201 PRO C C 176.9 . 1 2112 . 201 PRO CA C 63.0 . 1 2113 . 201 PRO CB C 32.7 . 1 2114 . 201 PRO CG C 28.3 . 1 2115 . 201 PRO CD C 49.9 . 1 2116 . 202 VAL H H 8.20 . 1 2117 . 202 VAL HA H 3.24 . 1 2118 . 202 VAL HB H 1.71 . 1 2119 . 202 VAL HG1 H 0.71 . 2 2120 . 202 VAL HG2 H 0.26 . 2 2121 . 202 VAL C C 178.1 . 1 2122 . 202 VAL CA C 67.7 . 1 2123 . 202 VAL CB C 32.0 . 1 2124 . 202 VAL CG1 C 20.9 . 2 2125 . 202 VAL CG2 C 21.5 . 2 2126 . 202 VAL N N 122.3 . 1 2127 . 203 ALA H H 8.84 . 1 2128 . 203 ALA HA H 3.84 . 1 2129 . 203 ALA HB H 1.32 . 1 2130 . 203 ALA C C 180.3 . 1 2131 . 203 ALA CA C 54.8 . 1 2132 . 203 ALA CB C 18.6 . 1 2133 . 203 ALA N N 117.9 . 1 2134 . 204 GLU H H 7.37 . 1 2135 . 204 GLU HA H 4.11 . 1 2136 . 204 GLU HB2 H 2.08 . 2 2137 . 204 GLU HB3 H 1.92 . 2 2138 . 204 GLU HG2 H 2.22 . 1 2139 . 204 GLU HG3 H 2.22 . 1 2140 . 204 GLU C C 178.4 . 1 2141 . 204 GLU CA C 58.6 . 1 2142 . 204 GLU CB C 30.4 . 1 2143 . 204 GLU CG C 36.8 . 1 2144 . 204 GLU N N 118.0 . 1 2145 . 205 VAL H H 7.94 . 1 2146 . 205 VAL HA H 3.64 . 1 2147 . 205 VAL HB H 2.02 . 1 2148 . 205 VAL HG1 H 0.97 . 2 2149 . 205 VAL HG2 H 0.79 . 2 2150 . 205 VAL C C 177.9 . 1 2151 . 205 VAL CA C 66.5 . 1 2152 . 205 VAL CB C 32.0 . 1 2153 . 205 VAL CG1 C 23.2 . 2 2154 . 205 VAL CG2 C 21.7 . 2 2155 . 205 VAL N N 121.4 . 1 2156 . 206 ARG H H 7.75 . 1 2157 . 206 ARG HA H 3.72 . 1 2158 . 206 ARG HB2 H 1.77 . 2 2159 . 206 ARG HB3 H 1.47 . 2 2160 . 206 ARG HG2 H 0.99 . 1 2161 . 206 ARG HG3 H 0.99 . 1 2162 . 206 ARG HD2 H 2.40 . 2 2163 . 206 ARG HD3 H 2.08 . 2 2164 . 206 ARG HE H 7.05 . 1 2165 . 206 ARG C C 178.1 . 1 2166 . 206 ARG CA C 58.3 . 1 2167 . 206 ARG CB C 30.1 . 1 2168 . 206 ARG CG C 26.0 . 1 2169 . 206 ARG CD C 43.7 . 1 2170 . 206 ARG N N 118.2 . 1 2171 . 206 ARG NE N 115.2 . 1 2172 . 207 ALA H H 7.22 . 1 2173 . 207 ALA HA H 4.05 . 1 2174 . 207 ALA HB H 1.44 . 1 2175 . 207 ALA C C 180.8 . 1 2176 . 207 ALA CA C 55.0 . 1 2177 . 207 ALA CB C 17.9 . 1 2178 . 207 ALA N N 120.0 . 1 2179 . 208 ASP H H 8.05 . 1 2180 . 208 ASP HA H 4.35 . 1 2181 . 208 ASP HB2 H 2.93 . 2 2182 . 208 ASP HB3 H 2.43 . 2 2183 . 208 ASP C C 179.8 . 1 2184 . 208 ASP CA C 57.4 . 1 2185 . 208 ASP CB C 39.3 . 1 2186 . 208 ASP N N 120.8 . 1 2187 . 209 LEU H H 8.33 . 1 2188 . 209 LEU HA H 4.15 . 1 2189 . 209 LEU HB2 H 1.93 . 2 2190 . 209 LEU HB3 H 1.80 . 2 2191 . 209 LEU HG H 1.72 . 1 2192 . 209 LEU HD1 H 0.89 . 1 2193 . 209 LEU HD2 H 0.89 . 1 2194 . 209 LEU C C 178.0 . 1 2195 . 209 LEU CA C 58.3 . 1 2196 . 209 LEU CB C 41.9 . 1 2197 . 209 LEU CG C 27.0 . 1 2198 . 209 LEU CD1 C 24.7 . 2 2199 . 209 LEU CD2 C 23.5 . 2 2200 . 209 LEU N N 120.6 . 1 2201 . 210 GLU H H 7.87 . 1 2202 . 210 GLU HA H 4.16 . 1 2203 . 210 GLU HB2 H 2.12 . 2 2204 . 210 GLU HB3 H 1.99 . 2 2205 . 210 GLU HG2 H 2.54 . 2 2206 . 210 GLU HG3 H 2.17 . 2 2207 . 210 GLU C C 179.5 . 1 2208 . 210 GLU CA C 59.3 . 1 2209 . 210 GLU CB C 29.7 . 1 2210 . 210 GLU CG C 37.4 . 1 2211 . 210 GLU N N 121.2 . 1 2212 . 211 LYS H H 7.45 . 1 2213 . 211 LYS HA H 4.03 . 1 2214 . 211 LYS HB2 H 1.92 . 1 2215 . 211 LYS HB3 H 1.92 . 1 2216 . 211 LYS HG2 H 1.46 . 1 2217 . 211 LYS HG3 H 1.46 . 1 2218 . 211 LYS HD2 H 1.69 . 1 2219 . 211 LYS HD3 H 1.69 . 1 2220 . 211 LYS HE2 H 2.96 . 1 2221 . 211 LYS HE3 H 2.96 . 1 2222 . 211 LYS C C 178.5 . 1 2223 . 211 LYS CA C 58.7 . 1 2224 . 211 LYS CB C 32.3 . 1 2225 . 211 LYS CG C 25.1 . 1 2226 . 211 LYS CD C 29.1 . 1 2227 . 211 LYS CE C 42.2 . 1 2228 . 211 LYS N N 117.8 . 1 2229 . 212 ILE H H 7.29 . 1 2230 . 212 ILE HA H 3.63 . 1 2231 . 212 ILE HB H 1.58 . 1 2232 . 212 ILE HG12 H 1.66 . 1 2233 . 212 ILE HG13 H 1.66 . 1 2234 . 212 ILE HG2 H 0.51 . 1 2235 . 212 ILE HD1 H 0.60 . 1 2236 . 212 ILE C C 176.9 . 1 2237 . 212 ILE CA C 64.2 . 1 2238 . 212 ILE CB C 39.4 . 1 2239 . 212 ILE CG1 C 28.6 . 1 2240 . 212 ILE CG2 C 17.1 . 1 2241 . 212 ILE CD1 C 13.6 . 1 2242 . 212 ILE N N 118.9 . 1 2243 . 213 LEU H H 7.94 . 1 2244 . 213 LEU HA H 3.60 . 1 2245 . 213 LEU HB2 H 1.73 . 2 2246 . 213 LEU HB3 H 0.82 . 2 2247 . 213 LEU HG H 1.26 . 1 2248 . 213 LEU HD1 H 0.40 . 2 2249 . 213 LEU HD2 H -0.18 . 2 2250 . 213 LEU C C 177.4 . 1 2251 . 213 LEU CA C 56.1 . 1 2252 . 213 LEU CB C 41.4 . 1 2253 . 213 LEU CG C 21.2 . 1 2254 . 213 LEU CD1 C 26.2 . 2 2255 . 213 LEU CD2 C 25.5 . 2 2256 . 213 LEU N N 117.1 . 1 2257 . 214 GLY H H 7.68 . 1 2258 . 214 GLY HA2 H 4.00 . 2 2259 . 214 GLY HA3 H 3.62 . 2 2260 . 214 GLY CA C 46.4 . 1 2261 . 214 GLY N N 111.9 . 1 stop_ save_