data_4402 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignment of human prion protein hPrP(23-230) ; _BMRB_accession_number 4402 _BMRB_flat_file_name bmr4402.str _Entry_type original _Submission_date 1999-09-14 _Accession_date 1999-09-14 _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 Liu Aizhuo . . 2 Riek Roland . . 3 Wider Gerhard . . 4 'von Schroetter' Christine . . 5 Zahn Ralph . . 6 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1193 "13C chemical shifts" 600 "15N chemical shifts" 246 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-02-01 original author . stop_ _Original_release_date 2000-02-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Solution Structure of the Human Prion Protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20087216 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zahn Ralph . . 2 Liu Aizhuo . . 3 Luhrs Thorsten . . 4 Riek Roland . . 5 'von Schroetter' Christine . . 6 'Lopez Garcia' Francisco . . 7 Billeter Martin . . 8 Calzolai Luigi . . 9 Wider Gerhard . . 10 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 97 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 145 _Page_last 150 _Year 2000 _Details . loop_ _Keyword 'carbonyl carbon homonuclear isotropic mixing' 'flexible polypeptide chains' 'human prion protein' 'sequential NMR assignment' 'triple resonance experiments' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Recombinant full-length murine prion protein, mPrP(23-231): purification and spectroscopic characterization. FEBS Lett. 1997 Aug 18;413(2):277-81. ; _Citation_title 'Recombinant full-length murine prion protein, mPrP(23-231): purification and spectroscopic characterization.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9280297 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hornemann S . . 2 Korth C . . 3 Oesch B . . 4 Riek R . . 5 Wider G . . 6 Wuthrich K . . 7 Glockshuber R . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 413 _Journal_issue 2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 281 _Year 1997 _Details ; The cellular prion protein of the mouse, mPrP(C), consists of 208 amino acids (residues 23-231). It contains a carboxy-terminal domain, mPrP(121-231), which represents an autonomous folding unit with three alpha-helices and a two-stranded antiparallel beta-sheet. We expressed the complete amino acid sequence of the prion protein, mPrP(23-231), in the cytoplasm of Escherichia coli. mPrP(23-231) was solubilized from inclusion bodies by 8 M urea, oxidatively refolded and purified to homogeneity by conventional chromatographic techniques. Comparison of near-UV circular dichroism, fluorescence and one-dimensional 1H-NMR spectra of mPrP(23-231) and mPrP(121-231) shows that the amino-terminal segment 23-120, which includes the five characteristic octapeptide repeats, does not contribute measurably to the manifestation of three-dimensional structure as detected by these techniques, indicating that the residues 121-231 might be the only polypeptide segment of PrP(C) with a defined three-dimensional structure. ; save_ save_ref_2 _Saveframe_category citation _Citation_full ; NMR structure of the mouse prion protein domain PrP(121-321). Nature. 1996 Jul 11;382(6587):180-2. ; _Citation_title 'NMR structure of the mouse prion protein domain PrP(121-321).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8700211 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Riek R . . 2 Hornemann S . . 3 Wider G . . 4 Billeter M . . 5 Glockshuber R . . 6 Wuthrich K . . stop_ _Journal_abbreviation Nature _Journal_name_full Nature _Journal_volume 382 _Journal_issue 6587 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 180 _Page_last 182 _Year 1996 _Details ; The 'protein only' hypothesis states that a modified form of normal prion protein triggers infectious neurodegenerative diseases, such as bovine spongiform encephalopathy (BSE), or Creutzfeldt-Jakob disease (CJD) in humans. Prion proteins are thought to exist in two different conformations: the 'benign' PrPcform, and the infectious 'scrapie form', PrPsc. Knowledge of the three-dimensional structure of PrPc is essential for understanding the transition to PrPsc. The nuclear magnetic resonance (NMR) structure of the autonomously folding PrP domain comprising residues 121-231 (ref. 6) contains a two-stranded antiparallel beta-sheet and three alpha-helices. This domain contains most of the point-mutation sites that have been linked, in human PrP, to the occurrence of familial prion diseases. The NMR structure shows that these mutations occur within, or directly adjacent to, regular secondary structures. The presence of a beta-sheet in PrP(121-231) is in contrast with model predictions of an all-helical structure of PrPc (ref. 8), and may be important for the initiation of the transition from PrPc to PrPsc. ; save_ ################################## # Molecular system description # ################################## save_system_hPrP(23-230) _Saveframe_category molecular_system _Mol_system_name 'human prion protein hPrP(23-230)' _Abbreviation_common hPrP(23-230) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hPrP(23-230) $hPrP(23-230) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'fully oxidized' loop_ _Biological_function 'involved in prion disease' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hPrP(23-230) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human prion protein' _Abbreviation_common hPrP(23-230) _Molecular_mass . _Mol_thiol_state 'fully oxidized' _Details 'The N-terminal two residues (GS) are a cloning artefact.' ############################## # Polymer residue sequence # ############################## _Residue_count 210 _Mol_residue_sequence ; GSKKRPKPGGWNTGGSRYPG QGSPGGNRYPPQGGGGWGQP HGGGWGQPHGGGWGQPHGGG WGQPHGGGWGQGGGTHSQWN KPSKPKTNMKHMAGAAAAGA VVGGLGGYMLGSAMSRPIIH FGSDYEDRYYRENMHRYPNQ VYYRPMDEYSNQNNFVHDCV NITIKQHTVTTTTKGENFTE TDVKMMERVVEQMCITQYER ESQAYYQRGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 21 GLY 2 22 SER 3 23 LYS 4 24 LYS 5 25 ARG 6 26 PRO 7 27 LYS 8 28 PRO 9 29 GLY 10 30 GLY 11 31 TRP 12 32 ASN 13 33 THR 14 34 GLY 15 35 GLY 16 36 SER 17 37 ARG 18 38 TYR 19 39 PRO 20 40 GLY 21 41 GLN 22 42 GLY 23 43 SER 24 44 PRO 25 45 GLY 26 46 GLY 27 47 ASN 28 48 ARG 29 49 TYR 30 50 PRO 31 51 PRO 32 52 GLN 33 53 GLY 34 54 GLY 35 55 GLY 36 56 GLY 37 57 TRP 38 58 GLY 39 59 GLN 40 60 PRO 41 61 HIS 42 62 GLY 43 63 GLY 44 64 GLY 45 65 TRP 46 66 GLY 47 67 GLN 48 68 PRO 49 69 HIS 50 70 GLY 51 71 GLY 52 72 GLY 53 73 TRP 54 74 GLY 55 75 GLN 56 76 PRO 57 77 HIS 58 78 GLY 59 79 GLY 60 80 GLY 61 81 TRP 62 82 GLY 63 83 GLN 64 84 PRO 65 85 HIS 66 86 GLY 67 87 GLY 68 88 GLY 69 89 TRP 70 90 GLY 71 91 GLN 72 92 GLY 73 93 GLY 74 94 GLY 75 95 THR 76 96 HIS 77 97 SER 78 98 GLN 79 99 TRP 80 100 ASN 81 101 LYS 82 102 PRO 83 103 SER 84 104 LYS 85 105 PRO 86 106 LYS 87 107 THR 88 108 ASN 89 109 MET 90 110 LYS 91 111 HIS 92 112 MET 93 113 ALA 94 114 GLY 95 115 ALA 96 116 ALA 97 117 ALA 98 118 ALA 99 119 GLY 100 120 ALA 101 121 VAL 102 122 VAL 103 123 GLY 104 124 GLY 105 125 LEU 106 126 GLY 107 127 GLY 108 128 TYR 109 129 MET 110 130 LEU 111 131 GLY 112 132 SER 113 133 ALA 114 134 MET 115 135 SER 116 136 ARG 117 137 PRO 118 138 ILE 119 139 ILE 120 140 HIS 121 141 PHE 122 142 GLY 123 143 SER 124 144 ASP 125 145 TYR 126 146 GLU 127 147 ASP 128 148 ARG 129 149 TYR 130 150 TYR 131 151 ARG 132 152 GLU 133 153 ASN 134 154 MET 135 155 HIS 136 156 ARG 137 157 TYR 138 158 PRO 139 159 ASN 140 160 GLN 141 161 VAL 142 162 TYR 143 163 TYR 144 164 ARG 145 165 PRO 146 166 MET 147 167 ASP 148 168 GLU 149 169 TYR 150 170 SER 151 171 ASN 152 172 GLN 153 173 ASN 154 174 ASN 155 175 PHE 156 176 VAL 157 177 HIS 158 178 ASP 159 179 CYS 160 180 VAL 161 181 ASN 162 182 ILE 163 183 THR 164 184 ILE 165 185 LYS 166 186 GLN 167 187 HIS 168 188 THR 169 189 VAL 170 190 THR 171 191 THR 172 192 THR 173 193 THR 174 194 LYS 175 195 GLY 176 196 GLU 177 197 ASN 178 198 PHE 179 199 THR 180 200 GLU 181 201 THR 182 202 ASP 183 203 VAL 184 204 LYS 185 205 MET 186 206 MET 187 207 GLU 188 208 ARG 189 209 VAL 190 210 VAL 191 211 GLU 192 212 GLN 193 213 MET 194 214 CYS 195 215 ILE 196 216 THR 197 217 GLN 198 218 TYR 199 219 GLU 200 220 ARG 201 221 GLU 202 222 SER 203 223 GLN 204 224 ALA 205 225 TYR 206 226 TYR 207 227 GLN 208 228 ARG 209 229 GLY 210 230 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 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 16743 "HuPrP(90-231 M129 Q212P)" 67.14 148 99.29 99.29 4.30e-98 BMRB 16757 PrP^(91-231) 67.14 145 97.87 100.00 1.26e-97 BMRB 17714 HuPrP 67.14 147 99.29 100.00 1.76e-99 BMRB 17756 hPrP(121-230) 52.38 113 100.00 100.00 7.04e-76 BMRB 17757 hPrP(121-230) 52.38 113 98.18 98.18 1.04e-72 BMRB 17780 Hpp_E219K 67.14 142 99.29 100.00 2.99e-99 BMRB 18426 entity 67.14 142 100.00 100.00 7.56e-100 BMRB 18550 V210I 67.14 147 99.29 100.00 1.76e-99 BMRB 19268 MAJOR_PRION_PROTEIN 69.05 146 97.24 97.93 4.69e-99 BMRB 4379 "human prion protein" 53.33 112 99.11 100.00 5.22e-77 BMRB 4434 "human prion protein" 68.10 143 99.30 99.30 3.84e-100 BMRB 4620 "prion protein" 53.33 112 98.21 100.00 1.39e-76 BMRB 4641 "PRION PROTEIN" 69.05 146 97.24 97.93 5.96e-99 BMRB 4736 "human prion protein" 53.33 112 98.21 100.00 2.62e-76 PDB 1FKC "Human Prion Protein (Mutant E200k) Fragment 90-231" 67.14 142 99.29 100.00 2.99e-99 PDB 1FO7 "Human Prion Protein Mutant E200k Fragment 90-231" 67.14 142 99.29 100.00 2.99e-99 PDB 1H0L "Human Prion Protein 121-230 M166c/e221c" 52.86 112 97.30 98.20 4.31e-74 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 51.43 108 100.00 100.00 1.47e-74 PDB 1QLX "Human Prion Protein" 100.00 210 100.00 100.00 6.32e-149 PDB 1QLZ "Human Prion Protein" 100.00 210 100.00 100.00 6.32e-149 PDB 1QM0 "Human Prion Protein Fragment 90-230" 68.10 143 99.30 99.30 3.84e-100 PDB 1QM1 "Human Prion Protein Fragment 90-230" 68.10 143 99.30 99.30 3.84e-100 PDB 1QM2 "Human Prion Protein Fragment 121-230" 53.33 112 99.11 100.00 5.22e-77 PDB 1QM3 "Human Prion Protein Fragment 121-230" 53.33 112 99.11 100.00 5.22e-77 PDB 2KUN "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" 67.14 148 99.29 99.29 4.30e-98 PDB 2LEJ "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" 67.14 147 99.29 100.00 1.76e-99 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 67.14 142 99.29 100.00 2.99e-99 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 67.14 142 100.00 100.00 7.56e-100 PDB 2LV1 "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" 67.14 147 99.29 100.00 1.76e-99 PDB 2M8T "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" 69.05 146 97.24 97.93 4.69e-99 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 53.33 113 100.00 100.00 1.58e-77 PDB 3HAF "Human Prion Protein Variant V129 Domain Swapped Dimer" 67.14 142 99.29 100.00 3.26e-99 PDB 3HEQ "Human Prion Protein Variant D178n With M129" 67.14 142 99.29 100.00 4.43e-99 PDB 3HER "Human Prion Protein Variant F198s With V129" 67.14 142 98.58 99.29 7.98e-98 PDB 3HES "Human Prion Protein Variant F198s With M129" 67.14 142 99.29 99.29 1.69e-98 PDB 3HJ5 "Human Prion Protein Variant V129 Domain Swapped Dimer" 67.14 142 99.29 100.00 3.26e-99 PDB 3HJX "Human Prion Protein Variant D178n With V129" 50.00 106 98.10 100.00 3.24e-71 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 52.86 111 100.00 100.00 6.50e-77 PDB 4KML "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Full-length Human Prion Protein Bound To A Nanobod" 100.00 241 99.05 99.05 3.48e-147 PDB 4N9O "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" 67.14 142 100.00 100.00 7.56e-100 DBJ BAA00011 "prion protein [Homo sapiens]" 99.52 245 99.04 99.04 8.57e-146 DBJ BAF62360 "prion protein, transcript variant 2 [Pan troglodytes verus]" 99.52 253 98.56 99.52 5.81e-147 DBJ BAG32276 "prion [Homo sapiens]" 99.52 253 99.52 99.52 4.36e-148 DBJ BAG32277 "prion [Homo sapiens]" 99.52 253 99.04 99.52 1.60e-147 DBJ BAG32278 "alternatively spliced variant form of prion [Homo sapiens]" 93.81 230 98.98 98.98 1.45e-137 EMBL CAG46836 "PRNP [Homo sapiens]" 99.52 253 98.56 99.04 9.97e-146 EMBL CAG46869 "PRNP [Homo sapiens]" 99.52 253 99.04 99.52 1.60e-147 EMBL CAH92912 "hypothetical protein [Pongo abelii]" 99.52 253 97.61 99.52 1.54e-145 GB AAA19664 "prion protein [Homo sapiens]" 99.52 245 99.04 99.04 8.57e-146 GB AAA60182 "prion protein [Homo sapiens]" 99.52 253 99.52 99.52 4.36e-148 GB AAA68632 "major prion protein precursor [Pan troglodytes]" 99.52 253 98.56 99.52 5.81e-147 GB AAA68633 "major prion protein precursor [Gorilla gorilla]" 99.52 253 99.04 99.52 1.89e-147 GB AAB59443 "prion protein, partial [Homo sapiens]" 99.52 233 99.52 99.52 7.54e-148 REF NP_000302 "major prion protein preproprotein [Homo sapiens]" 99.52 253 99.52 99.52 4.36e-148 REF NP_001009093 "major prion protein preproprotein [Pan troglodytes]" 99.52 253 98.56 99.52 5.81e-147 REF NP_001073590 "major prion protein preproprotein [Homo sapiens]" 99.52 253 99.52 99.52 4.36e-148 REF NP_001073591 "major prion protein preproprotein [Homo sapiens]" 99.52 253 99.52 99.52 4.36e-148 REF NP_001073592 "major prion protein preproprotein [Homo sapiens]" 99.52 253 99.52 99.52 4.36e-148 SP P04156 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" 99.52 253 99.52 99.52 4.36e-148 SP P40252 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 99.52 253 99.04 99.52 1.55e-147 SP P40256 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 99.52 253 97.61 99.52 1.54e-145 SP P61766 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 99.52 253 98.56 99.52 5.81e-147 SP P61767 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 99.52 253 98.56 99.52 5.81e-147 TPE CAJ43808 "TPA: prion protein PrP [Pongo abelii]" 99.52 253 97.61 99.52 1.54e-145 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hPrP(23-230) human 9606 Eukaryota metazoa homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $hPrP(23-230) 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hPrP(23-230) 1 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_ct-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name ct-HNCA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NNH _Sample_label . save_ save_HN(COCA)NNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)NNH _Sample_label . save_ save_(H)N(CO-TOCSY)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name (H)N(CO-TOCSY)NH _Sample_label . save_ save_(H)CA(CO-TOCSY)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CA(CO-TOCSY)NH _Sample_label . save_ save_(H)CBCA(CO-TOCSY)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CBCA(CO-TOCSY)NH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name ct-HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name (H)N(CO-TOCSY)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CA(CO-TOCSY)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CBCA(CO-TOCSY)NH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 . M pH 4.5 0.1 n/a temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCA ct-HNCA HNCACB CBCA(CO)NNH HN(COCA)NNH (H)N(CO-TOCSY)NH (H)CA(CO-TOCSY)NH (H)CBCA(CO-TOCSY)NH stop_ _Sample_conditions_label $Ex-cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name hPrP(23-230) _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 CA C 43.1 . 1 2 . 1 GLY HA2 H 3.86 . 1 3 . 1 GLY HA3 H 3.86 . 1 4 . 2 SER N N 115.7 . 1 5 . 2 SER H H 8.65 . 1 6 . 2 SER CA C 58.3 . 1 7 . 2 SER HA H 4.48 . 1 8 . 2 SER CB C 64.2 . 1 9 . 2 SER HB2 H 3.83 . 1 10 . 2 SER HB3 H 3.83 . 1 11 . 3 LYS N N 123.8 . 1 12 . 3 LYS H H 8.52 . 1 13 . 3 LYS CA C 56.2 . 1 14 . 3 LYS HA H 4.29 . 1 15 . 3 LYS CB C 32.7 . 1 16 . 3 LYS HB2 H 1.78 . 2 17 . 3 LYS HB3 H 1.67 . 2 18 . 3 LYS CG C 24.4 . 1 19 . 3 LYS HG2 H 1.41 . 1 20 . 3 LYS HG3 H 1.41 . 1 21 . 3 LYS CD C 28.8 . 1 22 . 3 LYS HD2 H 1.64 . 1 23 . 3 LYS HD3 H 1.64 . 1 24 . 3 LYS CE C 41.9 . 1 25 . 3 LYS HE2 H 2.96 . 1 26 . 3 LYS HE3 H 2.96 . 1 27 . 4 LYS N N 123.4 . 1 28 . 4 LYS H H 8.38 . 1 29 . 4 LYS CA C 56.2 . 1 30 . 4 LYS HA H 4.24 . 1 31 . 4 LYS CB C 32.8 . 1 32 . 4 LYS HB2 H 1.72 . 2 33 . 4 LYS HB3 H 1.61 . 2 34 . 4 LYS CG C 24.4 . 1 35 . 4 LYS HG2 H 1.34 . 1 36 . 4 LYS HG3 H 1.34 . 1 37 . 4 LYS CD C 28.5 . 1 38 . 4 LYS HD2 H 1.38 . 1 39 . 4 LYS HD3 H 1.38 . 1 40 . 4 LYS CE C 41.8 . 1 41 . 4 LYS HE2 H 2.92 . 1 42 . 4 LYS HE3 H 2.92 . 1 43 . 5 ARG N N 124.5 . 1 44 . 5 ARG H H 8.47 . 1 45 . 5 ARG CA C 53.7 . 1 46 . 5 ARG HA H 4.59 . 1 47 . 5 ARG CB C 30.1 . 1 48 . 5 ARG HB2 H 1.80 . 1 49 . 5 ARG HB3 H 1.80 . 1 50 . 5 ARG CG C 26.8 . 1 51 . 5 ARG HG2 H 1.66 . 1 52 . 5 ARG HG3 H 1.66 . 1 53 . 5 ARG CD C 43.3 . 1 54 . 5 ARG HD2 H 3.18 . 1 55 . 5 ARG HD3 H 3.18 . 1 56 . 5 ARG NE N 84.7 . 1 57 . 5 ARG HE H 7.17 . 1 58 . 6 PRO N N 116.9 . 1 59 . 6 PRO CD C 50.6 . 1 60 . 6 PRO CA C 62.7 . 1 61 . 6 PRO HA H 4.38 . 1 62 . 6 PRO CB C 31.8 . 1 63 . 6 PRO HB2 H 2.22 . 2 64 . 6 PRO HB3 H 1.82 . 2 65 . 6 PRO CG C 27.2 . 1 66 . 6 PRO HG2 H 1.94 . 1 67 . 6 PRO HG3 H 1.94 . 1 68 . 6 PRO HD2 H 3.75 . 2 69 . 6 PRO HD3 H 3.58 . 2 70 . 7 LYS N N 122.9 . 1 71 . 7 LYS H H 8.39 . 1 72 . 7 LYS CA C 54.0 . 1 73 . 7 LYS HA H 4.52 . 1 74 . 7 LYS CB C 32.3 . 1 75 . 7 LYS HB2 H 1.72 . 2 76 . 7 LYS HB3 H 1.69 . 2 77 . 7 LYS CG C 24.5 . 1 78 . 7 LYS HG2 H 1.39 . 1 79 . 7 LYS HG3 H 1.39 . 1 80 . 7 LYS CD C 29.2 . 1 81 . 7 LYS HD2 H 1.56 . 1 82 . 7 LYS HD3 H 1.56 . 1 83 . 7 LYS CE C 41.8 . 1 84 . 7 LYS HE2 H 2.89 . 1 85 . 7 LYS HE3 H 2.89 . 1 86 . 8 PRO N N 117.7 . 1 87 . 8 PRO CD C 50.4 . 1 88 . 8 PRO CA C 63.3 . 1 89 . 8 PRO HA H 4.38 . 1 90 . 8 PRO CB C 31.8 . 1 91 . 8 PRO HB2 H 2.25 . 2 92 . 8 PRO HB3 H 1.88 . 2 93 . 8 PRO CG C 26.9 . 1 94 . 8 PRO HG2 H 1.95 . 1 95 . 8 PRO HG3 H 1.95 . 1 96 . 8 PRO HD2 H 3.80 . 2 97 . 8 PRO HD3 H 3.58 . 2 98 . 9 GLY N N 109.5 . 1 99 . 9 GLY H H 8.43 . 1 100 . 9 GLY CA C 45.1 . 1 101 . 9 GLY HA2 H 3.85 . 1 102 . 9 GLY HA3 H 3.85 . 1 103 . 10 GLY N N 108.7 . 1 104 . 10 GLY H H 8.23 . 1 105 . 10 GLY CA C 44.9 . 1 106 . 10 GLY HA2 H 3.86 . 1 107 . 10 GLY HA3 H 3.86 . 1 108 . 11 TRP N N 120.7 . 1 109 . 11 TRP H H 8.05 . 1 110 . 11 TRP CA C 57.3 . 1 111 . 11 TRP HA H 4.59 . 1 112 . 11 TRP CB C 29.1 . 1 113 . 11 TRP HB2 H 3.22 . 1 114 . 11 TRP HB3 H 3.22 . 1 115 . 11 TRP CD1 C 127.0 . 1 116 . 11 TRP HD1 H 7.19 . 1 117 . 11 TRP NE1 N 129.2 . 1 118 . 11 TRP HE1 H 10.08 . 1 119 . 11 TRP CE3 C 120.7 . 1 120 . 11 TRP HE3 H 7.55 . 1 121 . 11 TRP HZ2 H 7.41 . 1 122 . 12 ASN N N 120.5 . 1 123 . 12 ASN H H 8.26 . 1 124 . 12 ASN CA C 52.8 . 1 125 . 12 ASN HA H 4.62 . 1 126 . 12 ASN CB C 38.3 . 1 127 . 12 ASN HB2 H 2.57 . 2 128 . 12 ASN HB3 H 2.43 . 2 129 . 12 ASN ND2 N 112.5 . 1 130 . 12 ASN HD21 H 7.44 . 2 131 . 12 ASN HD22 H 6.81 . 2 132 . 13 THR N N 113.6 . 1 133 . 13 THR H H 8.02 . 1 134 . 13 THR CA C 61.6 . 1 135 . 13 THR HA H 4.24 . 1 136 . 13 THR CB C 70.0 . 1 137 . 13 THR HB H 4.20 . 1 138 . 13 THR HG2 H 1.11 . 1 139 . 13 THR CG2 C 21.0 . 1 140 . 14 GLY N N 111.0 . 1 141 . 14 GLY H H 8.41 . 1 142 . 14 GLY CA C 45.3 . 1 143 . 14 GLY HA2 H 3.94 . 1 144 . 14 GLY HA3 H 3.94 . 1 145 . 15 GLY N N 108.8 . 1 146 . 15 GLY H H 8.24 . 1 147 . 15 GLY CA C 44.9 . 1 148 . 15 GLY HA2 H 3.92 . 1 149 . 15 GLY HA3 H 3.92 . 1 150 . 16 SER N N 115.6 . 1 151 . 16 SER H H 8.20 . 1 152 . 16 SER CA C 58.2 . 1 153 . 16 SER HA H 4.37 . 1 154 . 16 SER CB C 63.8 . 1 155 . 16 SER HB2 H 3.75 . 1 156 . 16 SER HB3 H 3.75 . 1 157 . 17 ARG N N 122.7 . 1 158 . 17 ARG H H 8.29 . 1 159 . 17 ARG CA C 55.8 . 1 160 . 17 ARG HA H 4.24 . 1 161 . 17 ARG CB C 30.6 . 1 162 . 17 ARG HB2 H 1.61 . 2 163 . 17 ARG HB3 H 1.58 . 2 164 . 17 ARG CG C 26.6 . 1 165 . 17 ARG HG2 H 1.42 . 2 166 . 17 ARG HG3 H 1.38 . 2 167 . 17 ARG CD C 43.0 . 1 168 . 17 ARG HD2 H 3.03 . 1 169 . 17 ARG HD3 H 3.03 . 1 170 . 17 ARG NE N 84.7 . 1 171 . 17 ARG HE H 7.09 . 1 172 . 18 TYR N N 121.5 . 1 173 . 18 TYR H H 8.11 . 1 174 . 18 TYR CA C 55.1 . 1 175 . 18 TYR HA H 4.81 . 1 176 . 18 TYR CB C 38.1 . 1 177 . 18 TYR HB2 H 2.99 . 2 178 . 18 TYR HB3 H 2.79 . 2 179 . 18 TYR CD1 C 133.5 . 1 180 . 18 TYR HD1 H 7.11 . 1 181 . 18 TYR HD2 H 7.11 . 1 182 . 18 TYR CE1 C 117.9 . 1 183 . 18 TYR HE1 H 6.80 . 1 184 . 18 TYR HE2 H 6.80 . 1 185 . 19 PRO N N 117.3 . 1 186 . 19 PRO CD C 50.5 . 1 187 . 19 PRO CA C 63.5 . 1 188 . 19 PRO HA H 4.33 . 1 189 . 19 PRO CB C 31.7 . 1 190 . 19 PRO HB2 H 2.19 . 2 191 . 19 PRO HB3 H 1.88 . 2 192 . 19 PRO CG C 26.6 . 1 193 . 19 PRO HG2 H 1.91 . 1 194 . 19 PRO HG3 H 1.91 . 1 195 . 19 PRO HD2 H 3.70 . 2 196 . 19 PRO HD3 H 3.49 . 2 197 . 20 GLY N N 109.2 . 1 198 . 20 GLY H H 8.16 . 1 199 . 20 GLY CA C 44.9 . 1 200 . 20 GLY HA2 H 3.88 . 1 201 . 20 GLY HA3 H 3.88 . 1 202 . 21 GLN N N 119.9 . 1 203 . 21 GLN H H 8.15 . 1 204 . 21 GLN CA C 56.0 . 1 205 . 21 GLN HA H 4.26 . 1 206 . 21 GLN CB C 29.4 . 1 207 . 21 GLN HB2 H 2.04 . 2 208 . 21 GLN HB3 H 1.86 . 2 209 . 21 GLN CG C 33.6 . 1 210 . 21 GLN HG2 H 2.28 . 1 211 . 21 GLN HG3 H 2.28 . 1 212 . 21 GLN NE2 N 112.1 . 1 213 . 21 GLN HE21 H 7.47 . 2 214 . 21 GLN HE22 H 6.81 . 2 215 . 22 GLY N N 110.5 . 1 216 . 22 GLY H H 8.50 . 1 217 . 22 GLY CA C 44.7 . 1 218 . 22 GLY HA2 H 3.93 . 1 219 . 22 GLY HA3 H 3.93 . 1 220 . 23 SER N N 116.6 . 1 221 . 23 SER H H 8.20 . 1 222 . 23 SER CA C 56.1 . 1 223 . 23 SER HA H 4.71 . 1 224 . 23 SER CB C 63.0 . 1 225 . 23 SER HB2 H 3.78 . 1 226 . 23 SER HB3 H 3.78 . 1 227 . 24 PRO N N 118.4 . 1 228 . 24 PRO CD C 50.5 . 1 229 . 24 PRO CA C 63.6 . 1 230 . 24 PRO HA H 4.36 . 1 231 . 24 PRO CB C 31.8 . 1 232 . 24 PRO HB2 H 2.20 . 2 233 . 24 PRO HB3 H 1.89 . 2 234 . 24 PRO CG C 26.6 . 1 235 . 24 PRO HG2 H 1.91 . 1 236 . 24 PRO HG3 H 1.91 . 1 237 . 24 PRO HD2 H 3.71 . 2 238 . 24 PRO HD3 H 3.65 . 2 239 . 25 GLY N N 109.3 . 1 240 . 25 GLY H H 8.43 . 1 241 . 25 GLY CA C 45.0 . 1 242 . 25 GLY HA2 H 3.90 . 1 243 . 25 GLY HA3 H 3.90 . 1 244 . 26 GLY N N 108.5 . 1 245 . 26 GLY H H 8.18 . 1 246 . 26 GLY CA C 45.0 . 1 247 . 26 GLY HA2 H 3.89 . 1 248 . 26 GLY HA3 H 3.89 . 1 249 . 27 ASN N N 118.6 . 1 250 . 27 ASN H H 8.31 . 1 251 . 27 ASN CA C 53.0 . 1 252 . 27 ASN HA H 4.57 . 1 253 . 27 ASN CB C 38.8 . 1 254 . 27 ASN HB2 H 2.64 . 1 255 . 27 ASN HB3 H 2.64 . 1 256 . 27 ASN ND2 N 112.7 . 1 257 . 27 ASN HD21 H 7.51 . 2 258 . 27 ASN HD22 H 6.88 . 2 259 . 28 ARG N N 121.2 . 1 260 . 28 ARG H H 8.20 . 1 261 . 28 ARG CA C 55.8 . 1 262 . 28 ARG HA H 4.18 . 1 263 . 28 ARG CB C 30.5 . 1 264 . 28 ARG HB2 H 1.58 . 2 265 . 28 ARG HB3 H 1.57 . 2 266 . 28 ARG CG C 26.4 . 1 267 . 28 ARG HG2 H 1.40 . 2 268 . 28 ARG HG3 H 1.35 . 2 269 . 28 ARG CD C 43.1 . 1 270 . 28 ARG HD2 H 3.03 . 1 271 . 28 ARG HD3 H 3.03 . 1 272 . 28 ARG NE N 84.6 . 1 273 . 28 ARG HE H 7.06 . 1 274 . 29 TYR N N 121.2 . 1 275 . 29 TYR H H 8.10 . 1 276 . 29 TYR CA C 55.1 . 1 277 . 29 TYR HA H 4.81 . 1 278 . 29 TYR CB C 38.0 . 1 279 . 29 TYR HB2 H 3.01 . 2 280 . 29 TYR HB3 H 2.72 . 2 281 . 29 TYR CD1 C 133.4 . 1 282 . 29 TYR HD1 H 7.11 . 1 283 . 29 TYR HD2 H 7.11 . 1 284 . 29 TYR CE1 C 118.1 . 1 285 . 29 TYR HE1 H 6.80 . 1 286 . 29 TYR HE2 H 6.80 . 1 287 . 30 PRO N N 115.2 . 1 288 . 30 PRO HA H 4.27 . 1 289 . 30 PRO HD2 H 3.66 . 2 290 . 30 PRO HD3 H 3.51 . 2 291 . 31 PRO N N 115.2 . 1 292 . 31 PRO CD C 50.3 . 1 293 . 31 PRO CA C 63.2 . 1 294 . 31 PRO HA H 4.36 . 1 295 . 31 PRO CB C 31.6 . 1 296 . 31 PRO HB2 H 2.19 . 2 297 . 31 PRO HB3 H 1.82 . 2 298 . 31 PRO CG C 27.3 . 1 299 . 31 PRO HG2 H 1.92 . 1 300 . 31 PRO HG3 H 1.92 . 1 301 . 31 PRO HD2 H 3.68 . 2 302 . 31 PRO HD3 H 3.51 . 2 303 . 32 GLN N N 120.3 . 1 304 . 32 GLN H H 8.50 . 1 305 . 32 GLN CA C 55.5 . 1 306 . 32 GLN HA H 4.24 . 1 307 . 32 GLN CB C 29.0 . 1 308 . 32 GLN HB2 H 2.03 . 2 309 . 32 GLN HB3 H 1.90 . 2 310 . 32 GLN CG C 33.5 . 1 311 . 32 GLN HG2 H 2.31 . 1 312 . 32 GLN HG3 H 2.31 . 1 313 . 32 GLN NE2 N 112.5 . 1 314 . 32 GLN HE21 H 7.47 . 2 315 . 32 GLN HE22 H 6.84 . 2 316 . 33 GLY N N 110.1 . 1 317 . 33 GLY H H 8.40 . 1 318 . 33 GLY CA C 45.1 . 1 319 . 33 GLY HA2 H 3.90 . 1 320 . 33 GLY HA3 H 3.90 . 1 321 . 34 GLY N N 108.6 . 1 322 . 34 GLY H H 8.25 . 1 323 . 34 GLY CA C 44.8 . 1 324 . 34 GLY HA2 H 3.84 . 1 325 . 34 GLY HA3 H 3.84 . 1 326 . 35 GLY N N 108.4 . 1 327 . 35 GLY H H 8.24 . 1 328 . 35 GLY CA C 45.1 . 1 329 . 35 GLY HA2 H 3.85 . 1 330 . 35 GLY HA3 H 3.85 . 1 331 . 36 GLY N N 108.5 . 1 332 . 36 GLY H H 8.17 . 1 333 . 36 GLY CA C 44.8 . 1 334 . 36 GLY HA2 H 3.86 . 1 335 . 36 GLY HA3 H 3.86 . 1 336 . 37 TRP N N 120.8 . 1 337 . 37 TRP H H 8.03 . 1 338 . 37 TRP CA C 57.4 . 1 339 . 37 TRP HA H 4.56 . 1 340 . 37 TRP CB C 29.3 . 1 341 . 37 TRP HB2 H 3.26 . 2 342 . 37 TRP HB3 H 3.14 . 2 343 . 37 TRP CD1 C 127.1 . 1 344 . 37 TRP HD1 H 7.17 . 1 345 . 37 TRP NE1 N 129.2 . 1 346 . 37 TRP HE1 H 10.04 . 1 347 . 37 TRP CE3 C 120.7 . 1 348 . 37 TRP HE3 H 7.51 . 1 349 . 37 TRP HZ2 H 7.37 . 1 350 . 38 GLY N N 110.5 . 1 351 . 38 GLY H H 8.28 . 1 352 . 38 GLY CA C 44.8 . 1 353 . 38 GLY HA2 H 3.74 . 1 354 . 38 GLY HA3 H 3.74 . 1 355 . 39 GLN N N 120.2 . 1 356 . 39 GLN H H 7.98 . 1 357 . 39 GLN CA C 53.2 . 1 358 . 39 GLN HA H 4.47 . 1 359 . 39 GLN CB C 28.6 . 1 360 . 39 GLN HB2 H 1.79 . 2 361 . 39 GLN HB3 H 1.60 . 2 362 . 39 GLN CG C 33.2 . 1 363 . 39 GLN HG2 H 2.24 . 1 364 . 39 GLN HG3 H 2.24 . 1 365 . 39 GLN NE2 N 112.1 . 1 366 . 39 GLN HE21 H 7.46 . 2 367 . 39 GLN HE22 H 6.82 . 2 368 . 40 PRO N N 116.8 . 5 369 . 40 PRO CD C 50.3 . 5 370 . 40 PRO CA C 63.1 . 5 371 . 40 PRO HA H 4.21 . 5 372 . 40 PRO CB C 31.6 . 5 373 . 40 PRO HB2 H 2.06 . 5 374 . 40 PRO HB3 H 1.67 . 5 375 . 40 PRO CG C 27.0 . 5 376 . 40 PRO HG2 H 1.82 . 5 377 . 40 PRO HG3 H 1.82 . 5 378 . 40 PRO HD2 H 3.63 . 5 379 . 40 PRO HD3 H 3.49 . 5 380 . 41 HIS N N 118.2 . 5 381 . 41 HIS H H 8.49 . 5 382 . 41 HIS CA C 54.9 . 5 383 . 41 HIS HA H 4.58 . 5 384 . 41 HIS CB C 28.9 . 5 385 . 41 HIS HB2 H 3.11 . 5 386 . 41 HIS HB3 H 3.06 . 5 387 . 41 HIS CD2 C 119.6 . 5 388 . 41 HIS HD2 H 7.12 . 5 389 . 42 GLY N N 110.1 . 5 390 . 42 GLY H H 8.40 . 5 391 . 42 GLY CA C 44.8 . 5 392 . 42 GLY HA2 H 3.91 . 5 393 . 42 GLY HA3 H 3.91 . 5 394 . 43 GLY N N 108.5 . 5 395 . 43 GLY H H 8.27 . 5 396 . 43 GLY CA C 44.9 . 5 397 . 43 GLY HA2 H 3.85 . 5 398 . 43 GLY HA3 H 3.85 . 5 399 . 44 GLY N N 108.7 . 5 400 . 44 GLY H H 8.25 . 5 401 . 44 GLY CA C 44.7 . 5 402 . 44 GLY HA2 H 3.80 . 5 403 . 44 GLY HA3 H 3.80 . 5 404 . 45 TRP N N 120.9 . 5 405 . 45 TRP H H 8.00 . 5 406 . 45 TRP CA C 57.5 . 5 407 . 45 TRP HA H 4.54 . 5 408 . 45 TRP CB C 29.4 . 5 409 . 45 TRP HB2 H 3.22 . 5 410 . 45 TRP HB3 H 3.15 . 5 411 . 45 TRP CD1 C 127.1 . 5 412 . 45 TRP HD1 H 7.16 . 5 413 . 45 TRP NE1 N 129.2 . 5 414 . 45 TRP HE1 H 10.04 . 5 415 . 45 TRP CE3 C 120.7 . 5 416 . 45 TRP HE3 H 7.51 . 5 417 . 45 TRP HZ2 H 7.37 . 5 418 . 46 GLY N N 110.9 . 5 419 . 46 GLY H H 8.26 . 5 420 . 46 GLY CA C 44.8 . 5 421 . 46 GLY HA2 H 3.74 . 5 422 . 46 GLY HA3 H 3.74 . 5 423 . 47 GLN N N 120.2 . 5 424 . 47 GLN H H 7.96 . 5 425 . 47 GLN CA C 53.2 . 5 426 . 47 GLN HA H 4.47 . 5 427 . 47 GLN CB C 28.6 . 5 428 . 47 GLN HB2 H 1.79 . 5 429 . 47 GLN HB3 H 1.60 . 5 430 . 47 GLN CG C 33.2 . 5 431 . 47 GLN HG2 H 2.24 . 5 432 . 47 GLN HG3 H 2.24 . 5 433 . 47 GLN NE2 N 112.4 . 5 434 . 47 GLN HE21 H 7.47 . 5 435 . 47 GLN HE22 H 6.84 . 5 436 . 48 PRO N N 116.8 . 5 437 . 48 PRO CD C 50.5 . 5 438 . 48 PRO CA C 63.2 . 5 439 . 48 PRO HA H 4.21 . 5 440 . 48 PRO CB C 31.7 . 5 441 . 48 PRO HB2 H 2.06 . 5 442 . 48 PRO HB3 H 1.66 . 5 443 . 48 PRO CG C 26.9 . 5 444 . 48 PRO HG2 H 1.83 . 5 445 . 48 PRO HG3 H 1.83 . 5 446 . 48 PRO HD2 H 3.64 . 5 447 . 48 PRO HD3 H 3.51 . 5 448 . 49 HIS N N 118.3 . 5 449 . 49 HIS H H 8.52 . 5 450 . 49 HIS CA C 55.1 . 5 451 . 49 HIS HA H 4.57 . 5 452 . 49 HIS CB C 28.8 . 5 453 . 49 HIS HB2 H 3.10 . 5 454 . 49 HIS HB3 H 3.05 . 5 455 . 49 HIS CD2 C 119.9 . 5 456 . 49 HIS HD2 H 7.12 . 5 457 . 50 GLY N N 110.1 . 5 458 . 50 GLY H H 8.40 . 5 459 . 50 GLY CA C 44.7 . 5 460 . 50 GLY HA2 H 3.91 . 5 461 . 50 GLY HA3 H 3.91 . 5 462 . 51 GLY N N 108.5 . 5 463 . 51 GLY H H 8.28 . 5 464 . 51 GLY CA C 45.0 . 5 465 . 51 GLY HA2 H 3.85 . 5 466 . 51 GLY HA3 H 3.85 . 5 467 . 52 GLY N N 108.7 . 5 468 . 52 GLY H H 8.23 . 5 469 . 52 GLY CA C 44.9 . 5 470 . 52 GLY HA2 H 3.80 . 5 471 . 52 GLY HA3 H 3.80 . 5 472 . 53 TRP N N 120.9 . 5 473 . 53 TRP H H 8.02 . 5 474 . 53 TRP CA C 57.5 . 5 475 . 53 TRP HA H 4.53 . 5 476 . 53 TRP CB C 29.3 . 5 477 . 53 TRP HB2 H 3.22 . 5 478 . 53 TRP HB3 H 3.14 . 5 479 . 53 TRP CD1 C 127.1 . 5 480 . 53 TRP HD1 H 7.16 . 5 481 . 53 TRP NE1 N 129.2 . 5 482 . 53 TRP HE1 H 10.04 . 5 483 . 53 TRP CE3 C 120.7 . 5 484 . 53 TRP HE3 H 7.51 . 5 485 . 53 TRP HZ2 H 7.37 . 5 486 . 54 GLY N N 110.9 . 5 487 . 54 GLY H H 8.25 . 5 488 . 54 GLY CA C 44.8 . 5 489 . 54 GLY HA2 H 3.74 . 5 490 . 54 GLY HA3 H 3.74 . 5 491 . 55 GLN N N 120.2 . 5 492 . 55 GLN H H 7.97 . 5 493 . 55 GLN CA C 53.2 . 5 494 . 55 GLN HA H 4.47 . 5 495 . 55 GLN CB C 28.6 . 5 496 . 55 GLN HB2 H 1.79 . 5 497 . 55 GLN HB3 H 1.60 . 5 498 . 55 GLN CG C 33.2 . 5 499 . 55 GLN HG2 H 2.24 . 5 500 . 55 GLN HG3 H 2.24 . 5 501 . 55 GLN NE2 N 112.4 . 5 502 . 55 GLN HE21 H 7.47 . 5 503 . 55 GLN HE22 H 6.84 . 5 504 . 56 PRO N N 116.8 . 5 505 . 56 PRO CD C 50.3 . 5 506 . 56 PRO CA C 63.3 . 5 507 . 56 PRO HA H 4.20 . 5 508 . 56 PRO CB C 31.7 . 5 509 . 56 PRO HB2 H 2.06 . 5 510 . 56 PRO HB3 H 1.67 . 5 511 . 56 PRO CG C 27.0 . 5 512 . 56 PRO HG2 H 1.83 . 5 513 . 56 PRO HG3 H 1.83 . 5 514 . 56 PRO HD2 H 3.63 . 5 515 . 56 PRO HD3 H 3.49 . 5 516 . 57 HIS N N 118.3 . 5 517 . 57 HIS H H 8.52 . 5 518 . 57 HIS CA C 55.1 . 5 519 . 57 HIS HA H 4.58 . 5 520 . 57 HIS CB C 28.8 . 5 521 . 57 HIS HB2 H 3.10 . 5 522 . 57 HIS HB3 H 3.04 . 5 523 . 57 HIS CD2 C 119.9 . 5 524 . 57 HIS HD2 H 7.12 . 5 525 . 58 GLY N N 110.1 . 5 526 . 58 GLY H H 8.40 . 5 527 . 58 GLY CA C 45.0 . 5 528 . 58 GLY HA2 H 3.91 . 5 529 . 58 GLY HA3 H 3.91 . 5 530 . 59 GLY N N 108.5 . 5 531 . 59 GLY H H 8.27 . 5 532 . 59 GLY CA C 45.0 . 5 533 . 59 GLY HA2 H 3.86 . 5 534 . 59 GLY HA3 H 3.86 . 5 535 . 60 GLY N N 108.7 . 5 536 . 60 GLY H H 8.20 . 5 537 . 60 GLY CA C 44.8 . 5 538 . 60 GLY HA2 H 3.79 . 5 539 . 60 GLY HA3 H 3.79 . 5 540 . 61 TRP N N 120.8 . 5 541 . 61 TRP H H 8.03 . 5 542 . 61 TRP CA C 57.5 . 5 543 . 61 TRP HA H 4.54 . 5 544 . 61 TRP CB C 29.4 . 5 545 . 61 TRP HB2 H 3.22 . 5 546 . 61 TRP HB3 H 3.14 . 5 547 . 61 TRP CD1 C 127.1 . 5 548 . 61 TRP HD1 H 7.16 . 5 549 . 61 TRP NE1 N 129.2 . 5 550 . 61 TRP HE1 H 10.04 . 5 551 . 61 TRP CE3 C 120.7 . 5 552 . 61 TRP HE3 H 7.51 . 5 553 . 61 TRP HZ2 H 7.37 . 5 554 . 62 GLY N N 110.9 . 5 555 . 62 GLY H H 8.28 . 5 556 . 62 GLY CA C 44.9 . 5 557 . 62 GLY HA2 H 3.73 . 5 558 . 62 GLY HA3 H 3.73 . 5 559 . 63 GLN N N 120.2 . 5 560 . 63 GLN H H 7.96 . 5 561 . 63 GLN CA C 53.2 . 5 562 . 63 GLN HA H 4.47 . 5 563 . 63 GLN CB C 28.6 . 5 564 . 63 GLN HB2 H 1.79 . 5 565 . 63 GLN HB3 H 1.60 . 5 566 . 63 GLN CG C 33.2 . 5 567 . 63 GLN HG2 H 2.24 . 5 568 . 63 GLN HG3 H 2.24 . 5 569 . 63 GLN NE2 N 112.1 . 5 570 . 63 GLN HE21 H 7.46 . 5 571 . 63 GLN HE22 H 6.81 . 5 572 . 64 PRO N N 116.8 . 5 573 . 64 PRO CD C 50.4 . 5 574 . 64 PRO CA C 63.3 . 5 575 . 64 PRO HA H 4.20 . 5 576 . 64 PRO CB C 31.6 . 5 577 . 64 PRO HB2 H 2.07 . 5 578 . 64 PRO HB3 H 1.66 . 5 579 . 64 PRO CG C 27.0 . 5 580 . 64 PRO HG2 H 1.83 . 5 581 . 64 PRO HG3 H 1.83 . 5 582 . 64 PRO HD2 H 3.63 . 5 583 . 64 PRO HD3 H 3.50 . 5 584 . 65 HIS N N 118.4 . 5 585 . 65 HIS H H 8.53 . 5 586 . 65 HIS CA C 55.0 . 5 587 . 65 HIS HA H 4.57 . 5 588 . 65 HIS CB C 28.9 . 5 589 . 65 HIS HB2 H 3.11 . 5 590 . 65 HIS HB3 H 3.05 . 5 591 . 65 HIS CD2 C 119.6 . 5 592 . 65 HIS HD2 H 7.12 . 5 593 . 66 GLY N N 110.1 . 5 594 . 66 GLY H H 8.39 . 5 595 . 66 GLY CA C 44.9 . 5 596 . 66 GLY HA2 H 3.91 . 5 597 . 66 GLY HA3 H 3.91 . 5 598 . 67 GLY N N 108.5 . 1 599 . 67 GLY H H 8.27 . 1 600 . 67 GLY CA C 45.1 . 1 601 . 67 GLY HA2 H 3.84 . 1 602 . 67 GLY HA3 H 3.84 . 1 603 . 68 GLY N N 108.6 . 1 604 . 68 GLY H H 8.25 . 1 605 . 68 GLY CA C 44.9 . 1 606 . 68 GLY HA2 H 3.94 . 2 607 . 68 GLY HA3 H 3.86 . 2 608 . 69 TRP N N 121.0 . 1 609 . 69 TRP H H 8.05 . 1 610 . 69 TRP CA C 57.5 . 1 611 . 69 TRP HA H 4.55 . 1 612 . 69 TRP CB C 29.4 . 1 613 . 69 TRP HB2 H 3.22 . 2 614 . 69 TRP HB3 H 3.15 . 2 615 . 69 TRP CD1 C 126.8 . 1 616 . 69 TRP HD1 H 7.19 . 1 617 . 69 TRP NE1 N 129.2 . 1 618 . 69 TRP HE1 H 10.03 . 1 619 . 69 TRP CE3 C 120.7 . 1 620 . 69 TRP HE3 H 7.55 . 1 621 . 69 TRP HZ2 H 7.37 . 1 622 . 70 GLY N N 111.0 . 1 623 . 70 GLY H H 8.30 . 1 624 . 70 GLY CA C 45.3 . 1 625 . 70 GLY HA2 H 3.79 . 2 626 . 70 GLY HA3 H 3.71 . 2 627 . 71 GLN N N 119.6 . 1 628 . 71 GLN H H 8.12 . 1 629 . 71 GLN CA C 55.6 . 1 630 . 71 GLN HA H 4.25 . 1 631 . 71 GLN CB C 29.4 . 1 632 . 71 GLN HB2 H 2.07 . 2 633 . 71 GLN HB3 H 1.86 . 2 634 . 71 GLN CG C 33.5 . 1 635 . 71 GLN HG2 H 2.24 . 1 636 . 71 GLN HG3 H 2.24 . 1 637 . 71 GLN NE2 N 112.1 . 1 638 . 71 GLN HE21 H 7.49 . 2 639 . 71 GLN HE22 H 6.81 . 2 640 . 72 GLY N N 110.0 . 1 641 . 72 GLY H H 8.47 . 1 642 . 72 GLY CA C 45.2 . 1 643 . 72 GLY HA2 H 3.91 . 1 644 . 72 GLY HA3 H 3.91 . 1 645 . 73 GLY N N 108.7 . 1 646 . 73 GLY H H 8.28 . 1 647 . 73 GLY CA C 44.9 . 1 648 . 73 GLY HA2 H 3.89 . 1 649 . 73 GLY HA3 H 3.89 . 1 650 . 74 GLY N N 108.8 . 1 651 . 74 GLY H H 8.29 . 1 652 . 74 GLY CA C 44.8 . 1 653 . 74 GLY HA2 H 3.91 . 1 654 . 74 GLY HA3 H 3.91 . 1 655 . 75 THR N N 113.4 . 1 656 . 75 THR H H 8.09 . 1 657 . 75 THR CA C 61.7 . 1 658 . 75 THR HA H 4.22 . 1 659 . 75 THR CB C 70.0 . 1 660 . 75 THR HB H 4.12 . 1 661 . 75 THR HG2 H 1.09 . 1 662 . 75 THR CG2 C 21.1 . 1 663 . 76 HIS N N 120.5 . 1 664 . 76 HIS H H 8.54 . 1 665 . 76 HIS CA C 55.1 . 1 666 . 76 HIS HA H 4.66 . 1 667 . 76 HIS CB C 28.9 . 1 668 . 76 HIS HB2 H 3.16 . 2 669 . 76 HIS HB3 H 3.05 . 2 670 . 76 HIS CD2 C 120.1 . 1 671 . 76 HIS HD2 H 7.16 . 1 672 . 77 SER N N 116.9 . 1 673 . 77 SER H H 8.28 . 1 674 . 77 SER CA C 58.4 . 1 675 . 77 SER HA H 4.34 . 1 676 . 77 SER CB C 63.4 . 1 677 . 77 SER HB2 H 3.77 . 2 678 . 77 SER HB3 H 3.73 . 2 679 . 78 GLN N N 122.1 . 1 680 . 78 GLN H H 8.46 . 1 681 . 78 GLN CA C 55.9 . 1 682 . 78 GLN HA H 4.24 . 1 683 . 78 GLN CB C 29.0 . 1 684 . 78 GLN HB2 H 1.91 . 1 685 . 78 GLN HB3 H 1.91 . 1 686 . 78 GLN CG C 33.4 . 1 687 . 78 GLN HG2 H 2.10 . 1 688 . 78 GLN HG3 H 2.10 . 1 689 . 78 GLN NE2 N 112.2 . 1 690 . 78 GLN HE21 H 7.39 . 2 691 . 78 GLN HE22 H 6.82 . 2 692 . 79 TRP N N 121.8 . 1 693 . 79 TRP H H 8.11 . 1 694 . 79 TRP CA C 57.0 . 1 695 . 79 TRP HA H 4.62 . 1 696 . 79 TRP CB C 29.3 . 1 697 . 79 TRP HB2 H 3.23 . 2 698 . 79 TRP HB3 H 3.14 . 2 699 . 79 TRP CD1 C 127.1 . 1 700 . 79 TRP HD1 H 7.23 . 1 701 . 79 TRP NE1 N 129.5 . 1 702 . 79 TRP HE1 H 10.13 . 1 703 . 79 TRP CE3 C 120.9 . 1 704 . 79 TRP HE3 H 7.58 . 1 705 . 79 TRP HZ2 H 7.45 . 1 706 . 80 ASN N N 120.7 . 1 707 . 80 ASN H H 8.10 . 1 708 . 80 ASN CA C 52.7 . 1 709 . 80 ASN HA H 4.57 . 1 710 . 80 ASN CB C 38.7 . 1 711 . 80 ASN HB2 H 2.51 . 1 712 . 80 ASN HB3 H 2.51 . 1 713 . 80 ASN ND2 N 112.5 . 1 714 . 80 ASN HD21 H 7.45 . 2 715 . 80 ASN HD22 H 6.82 . 2 716 . 81 LYS N N 122.7 . 1 717 . 81 LYS H H 8.00 . 1 718 . 81 LYS CA C 53.9 . 1 719 . 81 LYS HA H 4.39 . 1 720 . 81 LYS CB C 32.3 . 1 721 . 81 LYS HB2 H 1.73 . 2 722 . 81 LYS HB3 H 1.60 . 2 723 . 81 LYS CG C 24.2 . 1 724 . 81 LYS HG2 H 1.34 . 1 725 . 81 LYS HG3 H 1.34 . 1 726 . 81 LYS CD C 29.2 . 1 727 . 81 LYS HD2 H 1.57 . 1 728 . 81 LYS HD3 H 1.57 . 1 729 . 81 LYS CE C 41.8 . 1 730 . 81 LYS HE2 H 2.91 . 1 731 . 81 LYS HE3 H 2.91 . 1 732 . 82 PRO N N 117.3 . 1 733 . 82 PRO CD C 50.5 . 1 734 . 82 PRO CA C 63.1 . 1 735 . 82 PRO HA H 4.38 . 1 736 . 82 PRO CB C 31.9 . 1 737 . 82 PRO HB2 H 2.23 . 2 738 . 82 PRO HB3 H 1.86 . 2 739 . 82 PRO CG C 27.1 . 1 740 . 82 PRO HG2 H 1.98 . 1 741 . 82 PRO HG3 H 1.98 . 1 742 . 82 PRO HD2 H 3.65 . 2 743 . 82 PRO HD3 H 3.15 . 2 744 . 83 SER N N 117.0 . 1 745 . 83 SER H H 8.43 . 1 746 . 83 SER CA C 57.8 . 1 747 . 83 SER HA H 4.41 . 1 748 . 83 SER CB C 63.6 . 1 749 . 83 SER HB2 H 3.79 . 1 750 . 83 SER HB3 H 3.79 . 1 751 . 84 LYS N N 124.2 . 1 752 . 84 LYS H H 8.34 . 1 753 . 84 LYS CA C 54.0 . 1 754 . 84 LYS HA H 4.58 . 1 755 . 84 LYS CB C 32.5 . 1 756 . 84 LYS HB2 H 1.78 . 2 757 . 84 LYS HB3 H 1.68 . 2 758 . 84 LYS CG C 24.3 . 1 759 . 84 LYS HG2 H 1.44 . 1 760 . 84 LYS HG3 H 1.44 . 1 761 . 84 LYS CD C 29.2 . 1 762 . 84 LYS HD2 H 1.65 . 1 763 . 84 LYS HD3 H 1.65 . 1 764 . 84 LYS CE C 41.8 . 1 765 . 84 LYS HE2 H 2.96 . 1 766 . 84 LYS HE3 H 2.96 . 1 767 . 85 PRO N N 117.3 . 1 768 . 85 PRO CD C 50.5 . 1 769 . 85 PRO CA C 62.9 . 1 770 . 85 PRO HA H 4.37 . 1 771 . 85 PRO CB C 31.8 . 1 772 . 85 PRO HB2 H 2.24 . 2 773 . 85 PRO HB3 H 1.83 . 2 774 . 85 PRO CG C 27.2 . 1 775 . 85 PRO HG2 H 1.95 . 1 776 . 85 PRO HG3 H 1.95 . 1 777 . 85 PRO HD2 H 3.79 . 2 778 . 85 PRO HD3 H 3.58 . 2 779 . 86 LYS N N 122.1 . 1 780 . 86 LYS H H 8.52 . 1 781 . 86 LYS CA C 56.3 . 1 782 . 86 LYS HA H 4.29 . 1 783 . 86 LYS CB C 32.8 . 1 784 . 86 LYS HB2 H 1.80 . 2 785 . 86 LYS HB3 H 1.75 . 2 786 . 86 LYS CG C 24.6 . 1 787 . 86 LYS HG2 H 1.43 . 1 788 . 86 LYS HG3 H 1.43 . 1 789 . 86 LYS CD C 29.2 . 1 790 . 86 LYS HD2 H 1.66 . 1 791 . 86 LYS HD3 H 1.66 . 1 792 . 86 LYS CE C 41.9 . 1 793 . 86 LYS HE2 H 2.97 . 1 794 . 86 LYS HE3 H 2.97 . 1 795 . 87 THR N N 115.3 . 1 796 . 87 THR H H 8.14 . 1 797 . 87 THR CA C 61.3 . 1 798 . 87 THR HA H 4.29 . 1 799 . 87 THR CB C 69.9 . 1 800 . 87 THR HB H 4.16 . 1 801 . 87 THR HG2 H 1.12 . 1 802 . 87 THR CG2 C 21.3 . 1 803 . 88 ASN N N 121.3 . 1 804 . 88 ASN H H 8.54 . 1 805 . 88 ASN CA C 52.9 . 1 806 . 88 ASN HA H 4.66 . 1 807 . 88 ASN CB C 38.5 . 1 808 . 88 ASN HB2 H 2.80 . 2 809 . 88 ASN HB3 H 2.73 . 2 810 . 88 ASN ND2 N 112.5 . 1 811 . 88 ASN HD21 H 7.60 . 2 812 . 88 ASN HD22 H 6.89 . 2 813 . 89 MET N N 121.3 . 1 814 . 89 MET H H 8.35 . 1 815 . 89 MET CA C 55.4 . 1 816 . 89 MET HA H 4.41 . 1 817 . 89 MET CB C 32.6 . 1 818 . 89 MET HB2 H 1.99 . 2 819 . 89 MET HB3 H 1.93 . 2 820 . 89 MET CG C 32.2 . 1 821 . 89 MET HG2 H 2.50 . 2 822 . 89 MET HG3 H 2.47 . 2 823 . 90 LYS N N 122.2 . 1 824 . 90 LYS H H 8.30 . 1 825 . 90 LYS CA C 56.2 . 1 826 . 90 LYS HA H 4.20 . 1 827 . 90 LYS CB C 32.6 . 1 828 . 90 LYS HB2 H 1.68 . 1 829 . 90 LYS HB3 H 1.68 . 1 830 . 90 LYS CG C 24.5 . 1 831 . 90 LYS HG2 H 1.32 . 1 832 . 90 LYS HG3 H 1.32 . 1 833 . 90 LYS CD C 28.7 . 1 834 . 90 LYS HD2 H 1.62 . 1 835 . 90 LYS HD3 H 1.62 . 1 836 . 90 LYS CE C 41.9 . 1 837 . 90 LYS HE2 H 2.94 . 1 838 . 90 LYS HE3 H 2.94 . 1 839 . 91 HIS N N 119.8 . 1 840 . 91 HIS H H 8.52 . 1 841 . 91 HIS CA C 55.1 . 1 842 . 91 HIS HA H 4.57 . 1 843 . 91 HIS CB C 28.9 . 1 844 . 91 HIS HB2 H 3.09 . 1 845 . 91 HIS HB3 H 3.09 . 1 846 . 91 HIS CD2 C 120.1 . 1 847 . 91 HIS HD2 H 7.13 . 1 848 . 92 MET N N 122.8 . 1 849 . 92 MET H H 8.43 . 1 850 . 92 MET CA C 54.9 . 1 851 . 92 MET HA H 4.44 . 1 852 . 92 MET CB C 32.8 . 1 853 . 92 MET HB2 H 2.02 . 1 854 . 92 MET HB3 H 2.02 . 1 855 . 92 MET CG C 31.5 . 1 856 . 92 MET HG2 H 2.52 . 2 857 . 92 MET HG3 H 2.47 . 2 858 . 93 ALA N N 125.8 . 1 859 . 93 ALA H H 8.44 . 1 860 . 93 ALA CA C 52.6 . 1 861 . 93 ALA HA H 4.28 . 1 862 . 93 ALA HB H 1.36 . 1 863 . 93 ALA CB C 19.0 . 1 864 . 94 GLY N N 108.6 . 1 865 . 94 GLY H H 8.40 . 1 866 . 94 GLY CA C 44.9 . 1 867 . 94 GLY HA2 H 3.90 . 1 868 . 94 GLY HA3 H 3.90 . 1 869 . 95 ALA N N 123.9 . 1 870 . 95 ALA H H 8.15 . 1 871 . 95 ALA CA C 52.4 . 1 872 . 95 ALA HA H 4.25 . 1 873 . 95 ALA HB H 1.33 . 1 874 . 95 ALA CB C 19.0 . 1 875 . 96 ALA N N 123.2 . 1 876 . 96 ALA H H 8.29 . 1 877 . 96 ALA CA C 52.4 . 1 878 . 96 ALA HA H 4.24 . 1 879 . 96 ALA HB H 1.33 . 1 880 . 96 ALA CB C 18.8 . 1 881 . 97 ALA N N 123.3 . 1 882 . 97 ALA H H 8.20 . 1 883 . 97 ALA CA C 52.3 . 1 884 . 97 ALA HA H 4.24 . 1 885 . 97 ALA HB H 1.33 . 1 886 . 97 ALA CB C 18.8 . 1 887 . 98 ALA N N 123.3 . 1 888 . 98 ALA H H 8.24 . 1 889 . 98 ALA CA C 52.3 . 1 890 . 98 ALA HA H 4.26 . 1 891 . 98 ALA HB H 1.34 . 1 892 . 98 ALA CB C 18.8 . 1 893 . 99 GLY N N 108.0 . 1 894 . 99 GLY H H 8.27 . 1 895 . 99 GLY CA C 45.1 . 1 896 . 99 GLY HA2 H 3.91 . 1 897 . 99 GLY HA3 H 3.91 . 1 898 . 100 ALA N N 123.5 . 1 899 . 100 ALA H H 8.07 . 1 900 . 100 ALA CA C 52.2 . 1 901 . 100 ALA HA H 4.34 . 1 902 . 100 ALA HB H 1.32 . 1 903 . 100 ALA CB C 19.2 . 1 904 . 101 VAL N N 119.7 . 1 905 . 101 VAL H H 8.14 . 1 906 . 101 VAL CA C 61.9 . 1 907 . 101 VAL HA H 4.12 . 1 908 . 101 VAL CB C 32.4 . 1 909 . 101 VAL HB H 1.99 . 1 910 . 101 VAL CG1 C 20.7 . 1 911 . 101 VAL HG1 H 0.88 . 1 912 . 101 VAL CG2 C 21.1 . 1 913 . 101 VAL HG2 H 0.84 . 1 914 . 102 VAL N N 124.9 . 1 915 . 102 VAL H H 8.28 . 1 916 . 102 VAL CA C 62.2 . 1 917 . 102 VAL HA H 4.07 . 1 918 . 102 VAL CB C 32.4 . 1 919 . 102 VAL HB H 1.99 . 1 920 . 102 VAL CG1 C 20.6 . 1 921 . 102 VAL HG1 H 0.88 . 1 922 . 102 VAL CG2 C 20.8 . 1 923 . 102 VAL HG2 H 0.87 . 1 924 . 103 GLY N N 113.2 . 1 925 . 103 GLY H H 8.58 . 1 926 . 103 GLY CA C 45.2 . 1 927 . 103 GLY HA2 H 3.92 . 1 928 . 103 GLY HA3 H 3.92 . 1 929 . 104 GLY N N 108.2 . 1 930 . 104 GLY H H 8.27 . 1 931 . 104 GLY CA C 45.2 . 1 932 . 104 GLY HA2 H 3.93 . 1 933 . 104 GLY HA3 H 3.93 . 1 934 . 105 LEU N N 121.8 . 1 935 . 105 LEU H H 8.21 . 1 936 . 105 LEU CA C 54.6 . 1 937 . 105 LEU HA H 4.35 . 1 938 . 105 LEU CB C 42.3 . 1 939 . 105 LEU HB2 H 1.53 . 2 940 . 105 LEU HB3 H 1.60 . 2 941 . 105 LEU CG C 26.8 . 1 942 . 105 LEU HG H 1.49 . 1 943 . 105 LEU HD1 H 0.68 . 2 944 . 105 LEU HD2 H 0.57 . 2 945 . 105 LEU CD1 C 24.5 . 1 946 . 105 LEU CD2 C 23.4 . 1 947 . 106 GLY N N 109.8 . 1 948 . 106 GLY H H 8.51 . 1 949 . 106 GLY CA C 46.0 . 1 950 . 106 GLY HA2 H 3.82 . 2 951 . 106 GLY HA3 H 3.92 . 2 952 . 107 GLY N N 109.0 . 1 953 . 107 GLY H H 8.32 . 1 954 . 107 GLY CA C 44.8 . 1 955 . 107 GLY HA2 H 3.71 . 2 956 . 107 GLY HA3 H 3.89 . 2 957 . 108 TYR N N 117.5 . 1 958 . 108 TYR H H 7.73 . 1 959 . 108 TYR CA C 57.6 . 1 960 . 108 TYR HA H 4.50 . 1 961 . 108 TYR CB C 40.0 . 1 962 . 108 TYR HB2 H 2.79 . 2 963 . 108 TYR HB3 H 2.86 . 2 964 . 108 TYR HD1 H 6.80 . 1 965 . 108 TYR HD2 H 6.80 . 1 966 . 108 TYR HE1 H 6.64 . 1 967 . 108 TYR HE2 H 6.64 . 1 968 . 108 TYR CD1 C 132.8 . 1 969 . 108 TYR CE1 C 118.1 . 1 970 . 109 MET N N 120.8 . 1 971 . 109 MET H H 9.00 . 1 972 . 109 MET CA C 53.4 . 1 973 . 109 MET HA H 4.53 . 1 974 . 109 MET CB C 34.5 . 1 975 . 109 MET HB2 H 0.89 . 2 976 . 109 MET HB3 H 1.55 . 2 977 . 109 MET CG C 31.9 . 1 978 . 109 MET HG2 H 2.20 . 1 979 . 109 MET HG3 H 2.20 . 1 980 . 109 MET HE H 1.97 . 1 981 . 109 MET CE C 17.0 . 1 982 . 110 LEU N N 121.4 . 1 983 . 110 LEU H H 8.10 . 1 984 . 110 LEU CA C 53.1 . 1 985 . 110 LEU HA H 4.46 . 1 986 . 110 LEU CB C 43.4 . 1 987 . 110 LEU HB2 H 0.95 . 2 988 . 110 LEU HB3 H 1.59 . 2 989 . 110 LEU CG C 25.9 . 1 990 . 110 LEU HG H 1.36 . 1 991 . 110 LEU HD1 H -0.03 . 2 992 . 110 LEU HD2 H 0.60 . 2 993 . 110 LEU CD1 C 21.5 . 1 994 . 110 LEU CD2 C 25.6 . 1 995 . 111 GLY N N 115.0 . 1 996 . 111 GLY H H 9.34 . 1 997 . 111 GLY CA C 44.7 . 1 998 . 111 GLY HA2 H 4.01 . 2 999 . 111 GLY HA3 H 4.41 . 2 1000 . 112 SER N N 113.6 . 1 1001 . 112 SER H H 8.39 . 1 1002 . 112 SER CA C 58.3 . 1 1003 . 112 SER HA H 4.39 . 1 1004 . 112 SER CB C 63.8 . 1 1005 . 112 SER HB2 H 3.96 . 2 1006 . 112 SER HB3 H 3.90 . 2 1007 . 113 ALA N N 125.6 . 1 1008 . 113 ALA H H 8.79 . 1 1009 . 113 ALA CA C 52.7 . 1 1010 . 113 ALA HA H 4.43 . 1 1011 . 113 ALA HB H 1.26 . 1 1012 . 113 ALA CB C 18.3 . 1 1013 . 114 MET N N 120.7 . 1 1014 . 114 MET H H 8.71 . 1 1015 . 114 MET CA C 53.7 . 1 1016 . 114 MET HA H 4.73 . 1 1017 . 114 MET CB C 36.7 . 1 1018 . 114 MET HB2 H 1.99 . 1 1019 . 114 MET HB3 H 1.99 . 1 1020 . 114 MET CG C 30.9 . 1 1021 . 114 MET HG2 H 2.44 . 2 1022 . 114 MET HG3 H 2.38 . 2 1023 . 114 MET HE H 2.14 . 1 1024 . 114 MET CE C 17.5 . 1 1025 . 115 SER N N 116.2 . 1 1026 . 115 SER H H 8.44 . 1 1027 . 115 SER CA C 58.4 . 1 1028 . 115 SER HA H 4.34 . 1 1029 . 115 SER CB C 62.8 . 1 1030 . 115 SER HB2 H 3.81 . 2 1031 . 115 SER HB3 H 3.73 . 2 1032 . 116 ARG N N 126.6 . 1 1033 . 116 ARG H H 8.66 . 1 1034 . 116 ARG CA C 54.6 . 1 1035 . 116 ARG HA H 4.39 . 1 1036 . 116 ARG CB C 29.3 . 1 1037 . 116 ARG HB2 H 1.72 . 1 1038 . 116 ARG HB3 H 1.72 . 1 1039 . 116 ARG CG C 28.7 . 1 1040 . 116 ARG HG2 H 1.85 . 2 1041 . 116 ARG HG3 H 1.80 . 2 1042 . 116 ARG CD C 43.9 . 1 1043 . 116 ARG HD2 H 3.11 . 2 1044 . 116 ARG HD3 H 3.05 . 2 1045 . 116 ARG NE N 85.7 . 1 1046 . 116 ARG HE H 6.72 . 1 1047 . 117 PRO CD C 50.4 . 1 1048 . 117 PRO CA C 62.1 . 1 1049 . 117 PRO HA H 4.41 . 1 1050 . 117 PRO CB C 32.2 . 1 1051 . 117 PRO HB2 H 1.74 . 2 1052 . 117 PRO HB3 H 2.24 . 2 1053 . 117 PRO CG C 27.3 . 1 1054 . 117 PRO HG2 H 1.95 . 2 1055 . 117 PRO HG3 H 2.02 . 2 1056 . 117 PRO HD2 H 3.60 . 2 1057 . 117 PRO HD3 H 3.91 . 2 1058 . 118 ILE N N 122.5 . 1 1059 . 118 ILE H H 8.65 . 1 1060 . 118 ILE CA C 60.7 . 1 1061 . 118 ILE HA H 4.13 . 1 1062 . 118 ILE CB C 36.1 . 1 1063 . 118 ILE HB H 1.89 . 1 1064 . 118 ILE HG2 H 0.71 . 1 1065 . 118 ILE CG2 C 17.2 . 1 1066 . 118 ILE CG1 C 27.0 . 1 1067 . 118 ILE HG12 H 1.57 . 2 1068 . 118 ILE HG13 H 1.38 . 2 1069 . 118 ILE HD1 H 0.88 . 1 1070 . 118 ILE CD1 C 11.1 . 1 1071 . 119 ILE N N 126.9 . 1 1072 . 119 ILE H H 6.46 . 1 1073 . 119 ILE CA C 58.6 . 1 1074 . 119 ILE HA H 3.90 . 1 1075 . 119 ILE CB C 39.2 . 1 1076 . 119 ILE HB H 0.82 . 1 1077 . 119 ILE HG2 H -0.07 . 1 1078 . 119 ILE CG2 C 17.0 . 1 1079 . 119 ILE CG1 C 26.5 . 1 1080 . 119 ILE HG12 H 0.90 . 2 1081 . 119 ILE HG13 H 0.76 . 2 1082 . 119 ILE HD1 H 0.46 . 1 1083 . 119 ILE CD1 C 12.5 . 1 1084 . 120 HIS N N 122.1 . 1 1085 . 120 HIS H H 8.25 . 1 1086 . 120 HIS CA C 53.8 . 1 1087 . 120 HIS HA H 4.90 . 1 1088 . 120 HIS CB C 29.3 . 1 1089 . 120 HIS HB2 H 2.92 . 2 1090 . 120 HIS HB3 H 3.29 . 2 1091 . 120 HIS CD2 C 119.6 . 1 1092 . 120 HIS CE1 C 136.0 . 1 1093 . 120 HIS HD2 H 7.21 . 1 1094 . 120 HIS HE1 H 8.57 . 1 1095 . 121 PHE N N 124.0 . 1 1096 . 121 PHE H H 10.21 . 1 1097 . 121 PHE CA C 59.1 . 1 1098 . 121 PHE HA H 4.34 . 1 1099 . 121 PHE CB C 41.1 . 1 1100 . 121 PHE HB2 H 3.32 . 2 1101 . 121 PHE HB3 H 2.80 . 2 1102 . 121 PHE HD1 H 7.31 . 1 1103 . 121 PHE HD2 H 7.31 . 1 1104 . 121 PHE HE1 H 6.86 . 1 1105 . 121 PHE HE2 H 6.86 . 1 1106 . 121 PHE CD1 C 131.9 . 1 1107 . 121 PHE CE1 C 131.2 . 1 1108 . 121 PHE CZ C 128.8 . 1 1109 . 121 PHE HZ H 6.72 . 1 1110 . 122 GLY N N 108.6 . 1 1111 . 122 GLY H H 9.01 . 1 1112 . 122 GLY CA C 45.6 . 1 1113 . 122 GLY HA2 H 3.80 . 2 1114 . 122 GLY HA3 H 4.16 . 2 1115 . 123 SER N N 111.7 . 1 1116 . 123 SER H H 7.29 . 1 1117 . 123 SER CA C 56.4 . 1 1118 . 123 SER HA H 4.78 . 1 1119 . 123 SER CB C 65.7 . 1 1120 . 123 SER HB2 H 3.89 . 2 1121 . 123 SER HB3 H 4.11 . 2 1122 . 124 ASP N N 124.7 . 1 1123 . 124 ASP H H 9.06 . 1 1124 . 124 ASP CA C 57.5 . 1 1125 . 124 ASP HA H 4.49 . 1 1126 . 124 ASP CB C 40.4 . 1 1127 . 124 ASP HB2 H 2.74 . 1 1128 . 124 ASP HB3 H 2.74 . 1 1129 . 125 TYR N N 118.9 . 1 1130 . 125 TYR H H 8.58 . 1 1131 . 125 TYR CA C 61.2 . 1 1132 . 125 TYR HA H 4.18 . 1 1133 . 125 TYR CB C 38.0 . 1 1134 . 125 TYR HB2 H 3.24 . 2 1135 . 125 TYR HB3 H 2.83 . 2 1136 . 125 TYR HD1 H 7.04 . 1 1137 . 125 TYR HD2 H 7.04 . 1 1138 . 125 TYR HE1 H 6.75 . 1 1139 . 125 TYR HE2 H 6.75 . 1 1140 . 125 TYR CD1 C 133.2 . 1 1141 . 125 TYR CE1 C 117.8 . 1 1142 . 126 GLU N N 119.0 . 1 1143 . 126 GLU H H 7.72 . 1 1144 . 126 GLU CA C 59.5 . 1 1145 . 126 GLU HA H 3.58 . 1 1146 . 126 GLU CB C 29.7 . 1 1147 . 126 GLU HB2 H 1.95 . 2 1148 . 126 GLU HB3 H 1.55 . 2 1149 . 126 GLU CG C 37.2 . 1 1150 . 126 GLU HG2 H 2.26 . 2 1151 . 126 GLU HG3 H 1.91 . 2 1152 . 127 ASP N N 119.7 . 1 1153 . 127 ASP H H 8.21 . 1 1154 . 127 ASP CA C 58.2 . 1 1155 . 127 ASP HA H 4.65 . 1 1156 . 127 ASP CB C 40.1 . 1 1157 . 127 ASP HB2 H 2.87 . 2 1158 . 127 ASP HB3 H 3.03 . 2 1159 . 128 ARG N N 120.5 . 1 1160 . 128 ARG H H 8.22 . 1 1161 . 128 ARG CA C 59.4 . 1 1162 . 128 ARG HA H 3.99 . 1 1163 . 128 ARG CB C 29.7 . 1 1164 . 128 ARG HB2 H 1.89 . 1 1165 . 128 ARG HB3 H 1.89 . 1 1166 . 128 ARG CG C 27.6 . 1 1167 . 128 ARG HG2 H 1.74 . 2 1168 . 128 ARG HG3 H 1.52 . 2 1169 . 128 ARG CD C 43.4 . 1 1170 . 128 ARG HD2 H 3.21 . 2 1171 . 128 ARG HD3 H 3.18 . 2 1172 . 128 ARG NE N 85.1 . 1 1173 . 128 ARG HE H 7.46 . 1 1174 . 129 TYR N N 121.4 . 1 1175 . 129 TYR H H 8.30 . 1 1176 . 129 TYR CA C 62.0 . 1 1177 . 129 TYR HA H 3.81 . 1 1178 . 129 TYR CB C 38.1 . 1 1179 . 129 TYR HB2 H 2.59 . 2 1180 . 129 TYR HB3 H 2.88 . 2 1181 . 129 TYR HD1 H 6.92 . 1 1182 . 129 TYR HD2 H 6.92 . 1 1183 . 129 TYR HE1 H 6.75 . 1 1184 . 129 TYR HE2 H 6.75 . 1 1185 . 129 TYR CD1 C 133.2 . 1 1186 . 129 TYR CE1 C 118.2 . 1 1187 . 130 TYR N N 120.6 . 1 1188 . 130 TYR H H 8.96 . 1 1189 . 130 TYR CA C 62.5 . 1 1190 . 130 TYR HA H 4.11 . 1 1191 . 130 TYR CB C 38.0 . 1 1192 . 130 TYR HB2 H 3.52 . 2 1193 . 130 TYR HB3 H 3.25 . 2 1194 . 130 TYR HD1 H 7.52 . 1 1195 . 130 TYR HD2 H 7.52 . 1 1196 . 130 TYR HE1 H 6.99 . 1 1197 . 130 TYR HE2 H 6.99 . 1 1198 . 130 TYR CD1 C 133.5 . 1 1199 . 130 TYR CE1 C 118.3 . 1 1200 . 131 ARG N N 117.9 . 1 1201 . 131 ARG H H 7.99 . 1 1202 . 131 ARG CA C 59.7 . 1 1203 . 131 ARG HA H 3.91 . 1 1204 . 131 ARG CB C 29.6 . 1 1205 . 131 ARG HB2 H 2.05 . 2 1206 . 131 ARG HB3 H 1.95 . 2 1207 . 131 ARG CG C 28.1 . 1 1208 . 131 ARG HG2 H 2.00 . 2 1209 . 131 ARG HG3 H 1.72 . 2 1210 . 131 ARG CD C 43.1 . 1 1211 . 131 ARG HD2 H 3.27 . 2 1212 . 131 ARG HD3 H 3.37 . 2 1213 . 131 ARG NE N 84.2 . 1 1214 . 131 ARG HE H 7.48 . 1 1215 . 132 GLU N N 116.5 . 1 1216 . 132 GLU H H 8.06 . 1 1217 . 132 GLU CA C 57.8 . 1 1218 . 132 GLU HA H 4.06 . 1 1219 . 132 GLU CB C 29.3 . 1 1220 . 132 GLU HB2 H 1.88 . 1 1221 . 132 GLU HB3 H 1.88 . 1 1222 . 132 GLU CG C 35.6 . 1 1223 . 132 GLU HG2 H 2.23 . 2 1224 . 132 GLU HG3 H 2.42 . 2 1225 . 133 ASN N N 114.7 . 1 1226 . 133 ASN H H 7.61 . 1 1227 . 133 ASN CA C 54.9 . 1 1228 . 133 ASN HA H 4.27 . 1 1229 . 133 ASN CB C 40.8 . 1 1230 . 133 ASN HB2 H 2.13 . 1 1231 . 133 ASN HB3 H 2.13 . 1 1232 . 133 ASN ND2 N 117.1 . 1 1233 . 133 ASN HD21 H 6.68 . 2 1234 . 133 ASN HD22 H 6.59 . 2 1235 . 134 MET N N 119.7 . 1 1236 . 134 MET H H 8.12 . 1 1237 . 134 MET CA C 59.1 . 1 1238 . 134 MET HA H 3.42 . 1 1239 . 134 MET CB C 30.5 . 1 1240 . 134 MET HB2 H 1.65 . 2 1241 . 134 MET HB3 H 1.31 . 2 1242 . 134 MET CG C 30.4 . 1 1243 . 134 MET HG2 H 2.52 . 2 1244 . 134 MET HG3 H 2.13 . 2 1245 . 134 MET HE H 2.00 . 1 1246 . 134 MET CE C 17.5 . 1 1247 . 135 HIS N N 115.1 . 1 1248 . 135 HIS H H 8.08 . 1 1249 . 135 HIS CA C 57.4 . 1 1250 . 135 HIS HA H 4.21 . 1 1251 . 135 HIS CB C 27.1 . 1 1252 . 135 HIS HB2 H 3.06 . 2 1253 . 135 HIS HB3 H 3.30 . 2 1254 . 135 HIS CD2 C 120.3 . 1 1255 . 135 HIS HD2 H 7.35 . 1 1256 . 136 ARG N N 118.0 . 1 1257 . 136 ARG H H 7.62 . 1 1258 . 136 ARG CA C 56.0 . 1 1259 . 136 ARG HA H 4.12 . 1 1260 . 136 ARG CB C 30.3 . 1 1261 . 136 ARG HB2 H 1.39 . 2 1262 . 136 ARG HB3 H 2.10 . 2 1263 . 136 ARG CG C 27.2 . 1 1264 . 136 ARG HG2 H 1.36 . 2 1265 . 136 ARG HG3 H 0.33 . 2 1266 . 136 ARG CD C 43.9 . 1 1267 . 136 ARG HD2 H 3.23 . 2 1268 . 136 ARG HD3 H 3.08 . 2 1269 . 136 ARG NE N 84.1 . 1 1270 . 136 ARG HE H 7.36 . 1 1271 . 137 TYR N N 121.0 . 1 1272 . 137 TYR H H 7.48 . 1 1273 . 137 TYR CA C 52.4 . 1 1274 . 137 TYR HA H 5.00 . 1 1275 . 137 TYR CB C 34.7 . 1 1276 . 137 TYR HB2 H 3.10 . 1 1277 . 137 TYR HB3 H 3.10 . 1 1278 . 137 TYR HD1 H 6.86 . 1 1279 . 137 TYR HD2 H 6.86 . 1 1280 . 137 TYR HE1 H 6.54 . 1 1281 . 137 TYR HE2 H 6.54 . 1 1282 . 137 TYR CD1 C 131.1 . 1 1283 . 137 TYR CE1 C 117.0 . 1 1284 . 138 PRO CD C 49.9 . 1 1285 . 138 PRO CA C 63.3 . 1 1286 . 138 PRO HA H 4.40 . 1 1287 . 138 PRO CB C 32.2 . 1 1288 . 138 PRO HB2 H 1.68 . 2 1289 . 138 PRO HB3 H 2.44 . 2 1290 . 138 PRO CG C 27.2 . 1 1291 . 138 PRO HG2 H 1.54 . 2 1292 . 138 PRO HG3 H 1.29 . 2 1293 . 138 PRO HD2 H 3.11 . 2 1294 . 138 PRO HD3 H 3.30 . 2 1295 . 139 ASN N N 116.3 . 1 1296 . 139 ASN H H 8.55 . 1 1297 . 139 ASN CA C 51.6 . 1 1298 . 139 ASN HA H 4.71 . 1 1299 . 139 ASN CB C 38.1 . 1 1300 . 139 ASN HB2 H 2.42 . 2 1301 . 139 ASN HB3 H 3.66 . 2 1302 . 139 ASN ND2 N 109.2 . 1 1303 . 139 ASN HD21 H 7.47 . 2 1304 . 139 ASN HD22 H 6.77 . 2 1305 . 140 GLN N N 113.8 . 1 1306 . 140 GLN H H 7.27 . 1 1307 . 140 GLN CA C 53.9 . 1 1308 . 140 GLN HA H 4.52 . 1 1309 . 140 GLN CB C 33.3 . 1 1310 . 140 GLN HB2 H 1.69 . 2 1311 . 140 GLN HB3 H 1.97 . 2 1312 . 140 GLN CG C 33.8 . 1 1313 . 140 GLN HG2 H 2.14 . 2 1314 . 140 GLN HG3 H 2.01 . 2 1315 . 140 GLN NE2 N 112.7 . 1 1316 . 140 GLN HE21 H 7.92 . 2 1317 . 140 GLN HE22 H 6.98 . 2 1318 . 141 VAL N N 112.8 . 1 1319 . 141 VAL H H 8.52 . 1 1320 . 141 VAL CA C 58.5 . 1 1321 . 141 VAL HA H 4.90 . 1 1322 . 141 VAL CB C 33.8 . 1 1323 . 141 VAL HB H 2.60 . 1 1324 . 141 VAL HG1 H 0.94 . 2 1325 . 141 VAL HG2 H 0.75 . 2 1326 . 141 VAL CG1 C 23.5 . 1 1327 . 141 VAL CG2 C 18.3 . 1 1328 . 142 TYR N N 121.2 . 1 1329 . 142 TYR H H 8.46 . 1 1330 . 142 TYR CA C 56.7 . 1 1331 . 142 TYR HA H 5.52 . 1 1332 . 142 TYR CB C 41.9 . 1 1333 . 142 TYR HB2 H 2.54 . 2 1334 . 142 TYR HB3 H 2.58 . 2 1335 . 142 TYR HD1 H 6.89 . 1 1336 . 142 TYR HD2 H 6.89 . 1 1337 . 142 TYR HE1 H 6.74 . 1 1338 . 142 TYR HE2 H 6.74 . 1 1339 . 142 TYR CD1 C 132.9 . 1 1340 . 142 TYR CE1 C 118.2 . 1 1341 . 143 TYR N N 111.1 . 1 1342 . 143 TYR H H 8.59 . 1 1343 . 143 TYR CA C 55.3 . 1 1344 . 143 TYR HA H 4.76 . 1 1345 . 143 TYR CB C 40.2 . 1 1346 . 143 TYR HB2 H 2.73 . 2 1347 . 143 TYR HB3 H 2.60 . 2 1348 . 143 TYR HD1 H 7.00 . 1 1349 . 143 TYR HD2 H 7.00 . 1 1350 . 143 TYR HE1 H 6.44 . 1 1351 . 143 TYR HE2 H 6.44 . 1 1352 . 143 TYR CD1 C 133.9 . 1 1353 . 143 TYR CE1 C 117.6 . 1 1354 . 144 ARG N N 121.0 . 1 1355 . 144 ARG H H 8.02 . 1 1356 . 144 ARG CA C 52.7 . 1 1357 . 144 ARG HA H 4.61 . 1 1358 . 144 ARG CB C 30.0 . 1 1359 . 144 ARG HB2 H 1.62 . 1 1360 . 144 ARG HB3 H 1.62 . 1 1361 . 144 ARG CG C 27.3 . 1 1362 . 144 ARG HG2 H 1.14 . 1 1363 . 144 ARG HG3 H 1.14 . 1 1364 . 144 ARG CD C 43.1 . 1 1365 . 144 ARG HD2 H 2.85 . 1 1366 . 144 ARG HD3 H 2.85 . 1 1367 . 144 ARG NE N 84.9 . 1 1368 . 144 ARG HE H 6.94 . 1 1369 . 145 PRO CD C 50.4 . 1 1370 . 145 PRO CA C 63.0 . 1 1371 . 145 PRO HA H 4.51 . 1 1372 . 145 PRO CB C 32.4 . 1 1373 . 145 PRO HB2 H 2.46 . 2 1374 . 145 PRO HB3 H 1.92 . 2 1375 . 145 PRO CG C 28.0 . 1 1376 . 145 PRO HG2 H 2.07 . 2 1377 . 145 PRO HG3 H 1.91 . 2 1378 . 145 PRO HD2 H 3.51 . 2 1379 . 145 PRO HD3 H 3.61 . 2 1380 . 146 MET N N 120.6 . 1 1381 . 146 MET H H 8.87 . 1 1382 . 146 MET CA C 57.6 . 1 1383 . 146 MET HA H 4.43 . 1 1384 . 146 MET CB C 32.1 . 1 1385 . 146 MET HB2 H 2.32 . 1 1386 . 146 MET HB3 H 2.32 . 1 1387 . 146 MET CG C 32.8 . 1 1388 . 146 MET HG2 H 1.84 . 2 1389 . 146 MET HG3 H 1.75 . 2 1390 . 146 MET HE H 1.59 . 1 1391 . 146 MET CE C 17.0 . 1 1392 . 147 ASP N N 118.6 . 1 1393 . 147 ASP H H 8.44 . 1 1394 . 147 ASP CA C 54.1 . 1 1395 . 147 ASP HA H 4.51 . 1 1396 . 147 ASP CB C 39.5 . 1 1397 . 147 ASP HB2 H 2.95 . 2 1398 . 147 ASP HB3 H 2.71 . 2 1399 . 148 GLU N N 117.3 . 1 1400 . 148 GLU H H 8.36 . 1 1401 . 148 GLU CA C 54.9 . 1 1402 . 148 GLU HA H 4.52 . 1 1403 . 148 GLU CB C 28.8 . 1 1404 . 148 GLU HB2 H 3.01 . 2 1405 . 148 GLU HB3 H 2.92 . 2 1406 . 149 TYR HD1 H 7.14 . 1 1407 . 149 TYR HD2 H 7.14 . 1 1408 . 149 TYR HE1 H 6.86 . 1 1409 . 149 TYR HE2 H 6.86 . 1 1410 . 149 TYR CD1 C 133.3 . 1 1411 . 149 TYR CE1 C 118.5 . 1 1412 . 150 SER CA C 58.8 . 1 1413 . 150 SER HA H 4.55 . 1 1414 . 150 SER CB C 63.9 . 1 1415 . 150 SER HB2 H 3.92 . 2 1416 . 150 SER HB3 H 3.90 . 2 1417 . 151 ASN CA C 52.1 . 1 1418 . 151 ASN HA H 4.75 . 1 1419 . 151 ASN CB C 39.7 . 1 1420 . 151 ASN HB2 H 3.10 . 2 1421 . 151 ASN HB3 H 3.02 . 2 1422 . 151 ASN ND2 N 113.2 . 1 1423 . 151 ASN HD21 H 7.54 . 2 1424 . 151 ASN HD22 H 6.72 . 2 1425 . 152 GLN N N 120.3 . 1 1426 . 152 GLN H H 8.67 . 1 1427 . 152 GLN CA C 59.2 . 1 1428 . 152 GLN HA H 2.93 . 1 1429 . 152 GLN CB C 28.9 . 1 1430 . 152 GLN HB2 H 1.65 . 2 1431 . 152 GLN HB3 H 1.58 . 2 1432 . 152 GLN CG C 33.2 . 1 1433 . 152 GLN HG2 H 1.45 . 2 1434 . 152 GLN HG3 H 1.14 . 2 1435 . 152 GLN NE2 N 111.8 . 1 1436 . 152 GLN HE21 H 7.46 . 2 1437 . 152 GLN HE22 H 6.78 . 2 1438 . 153 ASN N N 117.1 . 1 1439 . 153 ASN H H 8.38 . 1 1440 . 153 ASN CA C 56.3 . 1 1441 . 153 ASN HA H 4.23 . 1 1442 . 153 ASN CB C 37.8 . 1 1443 . 153 ASN HB2 H 2.65 . 2 1444 . 153 ASN HB3 H 2.73 . 2 1445 . 153 ASN ND2 N 112.9 . 1 1446 . 153 ASN HD21 H 7.58 . 2 1447 . 153 ASN HD22 H 6.95 . 2 1448 . 154 ASN N N 118.6 . 1 1449 . 154 ASN H H 8.64 . 1 1450 . 154 ASN CA C 55.7 . 1 1451 . 154 ASN HA H 4.55 . 1 1452 . 154 ASN CB C 37.8 . 1 1453 . 154 ASN HB2 H 2.91 . 2 1454 . 154 ASN HB3 H 3.05 . 2 1455 . 154 ASN ND2 N 112.2 . 1 1456 . 154 ASN HD21 H 7.46 . 2 1457 . 154 ASN HD22 H 6.81 . 2 1458 . 155 PHE HD1 H 7.64 . 1 1459 . 155 PHE HD2 H 7.64 . 1 1460 . 155 PHE HE1 H 6.63 . 1 1461 . 155 PHE HE2 H 6.63 . 1 1462 . 155 PHE CD1 C 131.7 . 1 1463 . 155 PHE CE1 C 128.9 . 1 1464 . 156 VAL N N 120.3 . 1 1465 . 156 VAL H H 8.94 . 1 1466 . 156 VAL CA C 67.6 . 1 1467 . 156 VAL HA H 3.50 . 1 1468 . 156 VAL CB C 31.9 . 1 1469 . 156 VAL HB H 2.21 . 1 1470 . 156 VAL HG1 H 1.02 . 2 1471 . 156 VAL HG2 H 1.06 . 2 1472 . 156 VAL CG1 C 21.5 . 1 1473 . 156 VAL CG2 C 24.5 . 1 1474 . 157 HIS N N 116.7 . 1 1475 . 157 HIS H H 8.36 . 1 1476 . 157 HIS CA C 59.1 . 1 1477 . 157 HIS HA H 4.30 . 1 1478 . 157 HIS CB C 28.1 . 1 1479 . 157 HIS HB2 H 3.32 . 2 1480 . 157 HIS HB3 H 3.37 . 2 1481 . 157 HIS CD2 C 120.1 . 1 1482 . 157 HIS CE1 C 136.0 . 1 1483 . 157 HIS HD2 H 7.37 . 1 1484 . 157 HIS HE1 H 8.62 . 1 1485 . 158 ASP N N 118.6 . 1 1486 . 158 ASP H H 7.73 . 1 1487 . 158 ASP CA C 57.2 . 1 1488 . 158 ASP HA H 4.53 . 1 1489 . 158 ASP CB C 41.1 . 1 1490 . 158 ASP HB2 H 2.96 . 2 1491 . 158 ASP HB3 H 2.85 . 2 1492 . 159 CYS N N 119.2 . 1 1493 . 159 CYS H H 8.07 . 1 1494 . 159 CYS CA C 58.5 . 1 1495 . 159 CYS HA H 4.72 . 1 1496 . 159 CYS CB C 40.2 . 1 1497 . 159 CYS HB2 H 2.96 . 2 1498 . 159 CYS HB3 H 3.35 . 2 1499 . 160 VAL N N 124.8 . 1 1500 . 160 VAL H H 9.13 . 1 1501 . 160 VAL CA C 66.2 . 1 1502 . 160 VAL HA H 3.62 . 1 1503 . 160 VAL CB C 31.9 . 1 1504 . 160 VAL HB H 2.16 . 1 1505 . 160 VAL HG1 H 0.95 . 2 1506 . 160 VAL HG2 H 1.07 . 2 1507 . 160 VAL CG1 C 21.8 . 1 1508 . 160 VAL CG2 C 23.4 . 1 1509 . 161 ASN N N 116.4 . 1 1510 . 161 ASN H H 7.66 . 1 1511 . 161 ASN CA C 56.4 . 1 1512 . 161 ASN HA H 4.30 . 1 1513 . 161 ASN CB C 38.6 . 1 1514 . 161 ASN HB2 H 2.85 . 2 1515 . 161 ASN HB3 H 2.77 . 2 1516 . 161 ASN ND2 N 112.0 . 1 1517 . 161 ASN HD21 H 7.65 . 2 1518 . 161 ASN HD22 H 6.78 . 2 1519 . 162 ILE N N 118.7 . 1 1520 . 162 ILE H H 8.70 . 1 1521 . 162 ILE CA C 62.0 . 1 1522 . 162 ILE HA H 3.74 . 1 1523 . 162 ILE CB C 36.5 . 1 1524 . 162 ILE HB H 1.56 . 1 1525 . 162 ILE HG2 H 0.27 . 1 1526 . 162 ILE CG2 C 18.3 . 1 1527 . 162 ILE CG1 C 27.4 . 1 1528 . 162 ILE HG12 H 0.87 . 2 1529 . 162 ILE HG13 H 0.83 . 2 1530 . 162 ILE HD1 H 0.40 . 1 1531 . 162 ILE CD1 C 11.4 . 1 1532 . 163 THR N N 118.3 . 1 1533 . 163 THR H H 8.16 . 1 1534 . 163 THR CA C 68.5 . 1 1535 . 163 THR HA H 4.04 . 1 1536 . 163 THR CB C 67.9 . 1 1537 . 163 THR HB H 4.47 . 1 1538 . 163 THR HG2 H 1.47 . 1 1539 . 163 THR HG1 H 6.31 . 1 1540 . 163 THR CG2 C 22.0 . 1 1541 . 164 ILE N N 120.8 . 1 1542 . 164 ILE H H 8.52 . 1 1543 . 164 ILE CA C 65.5 . 1 1544 . 164 ILE HA H 3.69 . 1 1545 . 164 ILE CB C 36.7 . 1 1546 . 164 ILE HB H 2.08 . 1 1547 . 164 ILE HG2 H 0.86 . 1 1548 . 164 ILE CG2 C 16.7 . 1 1549 . 164 ILE CG1 C 29.6 . 1 1550 . 164 ILE HG12 H 1.81 . 2 1551 . 164 ILE HG13 H 1.20 . 2 1552 . 164 ILE HD1 H 0.75 . 1 1553 . 164 ILE CD1 C 12.8 . 1 1554 . 165 LYS N N 122.8 . 1 1555 . 165 LYS H H 8.03 . 1 1556 . 165 LYS CA C 59.6 . 1 1557 . 165 LYS HA H 4.04 . 1 1558 . 165 LYS CB C 32.1 . 1 1559 . 165 LYS HB2 H 1.92 . 2 1560 . 165 LYS HB3 H 1.85 . 2 1561 . 165 LYS CG C 24.7 . 1 1562 . 165 LYS HG2 H 1.46 . 2 1563 . 165 LYS HG3 H 1.37 . 2 1564 . 165 LYS CD C 28.9 . 1 1565 . 165 LYS HD2 H 1.59 . 1 1566 . 165 LYS HD3 H 1.59 . 1 1567 . 165 LYS CE C 41.7 . 1 1568 . 165 LYS HE2 H 2.89 . 1 1569 . 165 LYS HE3 H 2.89 . 1 1570 . 166 GLN N N 116.4 . 1 1571 . 166 GLN H H 8.35 . 1 1572 . 166 GLN CA C 57.5 . 1 1573 . 166 GLN HA H 4.01 . 1 1574 . 166 GLN CB C 28.8 . 1 1575 . 166 GLN HB2 H 1.86 . 2 1576 . 166 GLN HB3 H 1.97 . 2 1577 . 166 GLN CG C 33.3 . 1 1578 . 166 GLN HG2 H 2.07 . 2 1579 . 166 GLN HG3 H 1.58 . 2 1580 . 166 GLN NE2 N 110.1 . 1 1581 . 166 GLN HE21 H 6.76 . 2 1582 . 166 GLN HE22 H 6.70 . 2 1583 . 167 HIS N N 117.8 . 1 1584 . 167 HIS H H 8.13 . 1 1585 . 167 HIS CA C 58.5 . 1 1586 . 167 HIS HA H 4.58 . 1 1587 . 167 HIS CB C 29.7 . 1 1588 . 167 HIS HB2 H 3.32 . 2 1589 . 167 HIS HB3 H 3.27 . 2 1590 . 167 HIS CD2 C 118.8 . 1 1591 . 167 HIS HD2 H 7.29 . 1 1592 . 168 THR N N 113.7 . 1 1593 . 168 THR H H 8.22 . 1 1594 . 168 THR CA C 65.1 . 1 1595 . 168 THR HA H 4.18 . 1 1596 . 168 THR CB C 69.0 . 1 1597 . 168 THR HB H 4.40 . 1 1598 . 168 THR HG2 H 1.22 . 1 1599 . 168 THR CG2 C 21.2 . 1 1600 . 169 VAL N N 122.1 . 1 1601 . 169 VAL H H 7.99 . 1 1602 . 169 VAL CA C 64.8 . 1 1603 . 169 VAL HA H 3.99 . 1 1604 . 169 VAL CB C 31.9 . 1 1605 . 169 VAL HB H 2.20 . 1 1606 . 169 VAL HG1 H 0.94 . 2 1607 . 169 VAL HG2 H 1.01 . 2 1608 . 169 VAL CG1 C 20.9 . 1 1609 . 169 VAL CG2 C 21.4 . 1 1610 . 170 THR N N 115.2 . 1 1611 . 170 THR H H 8.07 . 1 1612 . 170 THR CA C 63.9 . 1 1613 . 170 THR HA H 4.22 . 1 1614 . 170 THR CB C 69.0 . 1 1615 . 170 THR HB H 4.26 . 1 1616 . 170 THR HG2 H 1.26 . 1 1617 . 170 THR CG2 C 21.5 . 1 1618 . 171 THR N N 114.9 . 1 1619 . 171 THR H H 8.00 . 1 1620 . 171 THR CA C 63.7 . 1 1621 . 171 THR HA H 4.20 . 1 1622 . 171 THR CB C 68.9 . 1 1623 . 171 THR HB H 4.16 . 1 1624 . 171 THR HG2 H 1.01 . 1 1625 . 171 THR CG2 C 21.4 . 1 1626 . 172 THR N N 116.6 . 1 1627 . 172 THR H H 8.18 . 1 1628 . 172 THR CA C 63.9 . 1 1629 . 172 THR HA H 4.38 . 1 1630 . 172 THR CB C 69.0 . 1 1631 . 172 THR HB H 4.35 . 1 1632 . 172 THR HG2 H 1.27 . 1 1633 . 172 THR CG2 C 21.5 . 1 1634 . 173 THR N N 116.1 . 1 1635 . 173 THR H H 7.93 . 1 1636 . 173 THR CA C 63.6 . 1 1637 . 173 THR HA H 4.23 . 1 1638 . 173 THR CB C 69.0 . 1 1639 . 173 THR HB H 4.28 . 1 1640 . 173 THR HG2 H 1.25 . 1 1641 . 173 THR CG2 C 21.5 . 1 1642 . 174 LYS N N 121.3 . 1 1643 . 174 LYS H H 7.86 . 1 1644 . 174 LYS CA C 56.3 . 1 1645 . 174 LYS HA H 4.33 . 1 1646 . 174 LYS CB C 32.2 . 1 1647 . 174 LYS HB2 H 1.82 . 2 1648 . 174 LYS HB3 H 1.94 . 2 1649 . 174 LYS CG C 24.9 . 1 1650 . 174 LYS HG2 H 1.43 . 2 1651 . 174 LYS HG3 H 1.49 . 2 1652 . 174 LYS CD C 28.9 . 1 1653 . 174 LYS HD2 H 1.65 . 1 1654 . 174 LYS HD3 H 1.65 . 1 1655 . 174 LYS CE C 41.7 . 1 1656 . 174 LYS HE2 H 2.96 . 1 1657 . 174 LYS HE3 H 2.96 . 1 1658 . 175 GLY N N 109.1 . 1 1659 . 175 GLY H H 8.13 . 1 1660 . 175 GLY CA C 45.4 . 1 1661 . 175 GLY HA2 H 4.05 . 2 1662 . 175 GLY HA3 H 3.83 . 2 1663 . 176 GLU N N 120.0 . 1 1664 . 176 GLU H H 7.72 . 1 1665 . 176 GLU CA C 55.6 . 1 1666 . 176 GLU HA H 4.24 . 1 1667 . 176 GLU CB C 30.5 . 1 1668 . 176 GLU HB2 H 1.65 . 1 1669 . 176 GLU HB3 H 1.65 . 1 1670 . 176 GLU CG C 35.3 . 1 1671 . 176 GLU HG2 H 2.10 . 1 1672 . 176 GLU HG3 H 2.10 . 1 1673 . 177 ASN N N 119.7 . 1 1674 . 177 ASN H H 8.45 . 1 1675 . 177 ASN CA C 52.7 . 1 1676 . 177 ASN HA H 4.65 . 1 1677 . 177 ASN CB C 40.0 . 1 1678 . 177 ASN HB2 H 2.68 . 2 1679 . 177 ASN HB3 H 2.60 . 2 1680 . 177 ASN ND2 N 113.0 . 1 1681 . 177 ASN HD21 H 7.53 . 2 1682 . 177 ASN HD22 H 6.82 . 2 1683 . 178 PHE N N 121.9 . 1 1684 . 178 PHE H H 8.66 . 1 1685 . 178 PHE CA C 56.5 . 1 1686 . 178 PHE HA H 5.26 . 1 1687 . 178 PHE CB C 39.9 . 1 1688 . 178 PHE HB2 H 2.96 . 2 1689 . 178 PHE HB3 H 3.14 . 2 1690 . 178 PHE HD1 H 7.34 . 1 1691 . 178 PHE HD2 H 7.34 . 1 1692 . 178 PHE HE1 H 7.44 . 1 1693 . 178 PHE HE2 H 7.44 . 1 1694 . 178 PHE CD1 C 131.4 . 1 1695 . 178 PHE CE1 C 129.9 . 1 1696 . 179 THR N N 116.3 . 1 1697 . 179 THR H H 9.49 . 1 1698 . 179 THR CA C 60.3 . 1 1699 . 179 THR HA H 4.61 . 1 1700 . 179 THR CB C 71.9 . 1 1701 . 179 THR HB H 4.80 . 1 1702 . 179 THR HG2 H 1.41 . 1 1703 . 179 THR CG2 C 21.5 . 1 1704 . 180 GLU N N 120.0 . 1 1705 . 180 GLU H H 9.11 . 1 1706 . 180 GLU CA C 59.4 . 1 1707 . 180 GLU HA H 4.07 . 1 1708 . 180 GLU CB C 28.5 . 1 1709 . 180 GLU HB2 H 2.12 . 2 1710 . 180 GLU HB3 H 2.06 . 2 1711 . 180 GLU CG C 35.2 . 1 1712 . 180 GLU HG2 H 2.36 . 2 1713 . 180 GLU HG3 H 2.42 . 2 1714 . 181 THR N N 116.3 . 1 1715 . 181 THR H H 7.95 . 1 1716 . 181 THR CA C 66.6 . 1 1717 . 181 THR HA H 3.77 . 1 1718 . 181 THR CB C 68.4 . 1 1719 . 181 THR HB H 3.70 . 1 1720 . 181 THR HG2 H 0.70 . 1 1721 . 181 THR CG2 C 20.9 . 1 1722 . 182 ASP N N 120.1 . 1 1723 . 182 ASP H H 7.49 . 1 1724 . 182 ASP CA C 57.7 . 1 1725 . 182 ASP HA H 4.57 . 1 1726 . 182 ASP CB C 41.4 . 1 1727 . 182 ASP HB2 H 3.32 . 2 1728 . 182 ASP HB3 H 2.56 . 2 1729 . 183 VAL N N 119.7 . 1 1730 . 183 VAL H H 8.23 . 1 1731 . 183 VAL CA C 67.6 . 1 1732 . 183 VAL HA H 3.29 . 1 1733 . 183 VAL CB C 31.4 . 1 1734 . 183 VAL HB H 2.11 . 1 1735 . 183 VAL HG1 H 0.88 . 2 1736 . 183 VAL HG2 H 0.98 . 2 1737 . 183 VAL CG1 C 21.0 . 1 1738 . 183 VAL CG2 C 22.6 . 1 1739 . 184 LYS N N 119.2 . 1 1740 . 184 LYS H H 7.74 . 1 1741 . 184 LYS CA C 59.1 . 1 1742 . 184 LYS HA H 4.05 . 1 1743 . 184 LYS CB C 31.9 . 1 1744 . 184 LYS HB2 H 1.92 . 2 1745 . 184 LYS HB3 H 1.91 . 2 1746 . 184 LYS CG C 25.0 . 1 1747 . 184 LYS HG2 H 1.43 . 2 1748 . 184 LYS HG3 H 1.66 . 2 1749 . 184 LYS CD C 28.9 . 1 1750 . 184 LYS HD2 H 1.67 . 1 1751 . 184 LYS HD3 H 1.67 . 1 1752 . 184 LYS CE C 41.7 . 1 1753 . 184 LYS HE2 H 2.91 . 1 1754 . 184 LYS HE3 H 2.91 . 1 1755 . 185 MET N N 118.7 . 1 1756 . 185 MET H H 8.22 . 1 1757 . 185 MET CA C 60.0 . 1 1758 . 185 MET HA H 4.13 . 1 1759 . 185 MET CB C 32.3 . 1 1760 . 185 MET HB2 H 2.30 . 2 1761 . 185 MET HB3 H 1.95 . 2 1762 . 185 MET CG C 34.0 . 1 1763 . 185 MET HG2 H 2.14 . 2 1764 . 185 MET HG3 H 2.93 . 2 1765 . 185 MET HE H 1.46 . 1 1766 . 185 MET CE C 18.1 . 1 1767 . 186 MET N N 118.5 . 1 1768 . 186 MET H H 8.75 . 1 1769 . 186 MET CA C 59.5 . 1 1770 . 186 MET HA H 3.56 . 1 1771 . 186 MET CB C 33.2 . 1 1772 . 186 MET HB2 H 1.91 . 2 1773 . 186 MET HB3 H 1.67 . 2 1774 . 186 MET CG C 32.2 . 1 1775 . 186 MET HG2 H 1.66 . 2 1776 . 186 MET HG3 H 1.93 . 2 1777 . 186 MET HE H 1.38 . 1 1778 . 186 MET CE C 15.9 . 1 1779 . 187 GLU N N 118.5 . 1 1780 . 187 GLU H H 8.41 . 1 1781 . 187 GLU CA C 60.3 . 1 1782 . 187 GLU HA H 3.66 . 1 1783 . 187 GLU CB C 27.9 . 1 1784 . 187 GLU HB2 H 2.04 . 2 1785 . 187 GLU HB3 H 2.22 . 2 1786 . 187 GLU CG C 35.0 . 1 1787 . 187 GLU HG2 H 2.21 . 2 1788 . 187 GLU HG3 H 2.56 . 2 1789 . 188 ARG N N 117.1 . 1 1790 . 188 ARG H H 7.31 . 1 1791 . 188 ARG CA C 58.2 . 1 1792 . 188 ARG HA H 4.19 . 1 1793 . 188 ARG CB C 29.8 . 1 1794 . 188 ARG HB2 H 2.09 . 2 1795 . 188 ARG HB3 H 1.94 . 2 1796 . 188 ARG CG C 26.8 . 1 1797 . 188 ARG HG2 H 1.75 . 2 1798 . 188 ARG HG3 H 1.83 . 2 1799 . 188 ARG CD C 42.3 . 1 1800 . 188 ARG HD2 H 3.24 . 2 1801 . 188 ARG HD3 H 3.14 . 2 1802 . 188 ARG NE N 83.3 . 1 1803 . 188 ARG HE H 7.27 . 1 1804 . 189 VAL N N 119.2 . 1 1805 . 189 VAL H H 8.27 . 1 1806 . 189 VAL CA C 65.6 . 1 1807 . 189 VAL HA H 3.79 . 1 1808 . 189 VAL CB C 32.1 . 1 1809 . 189 VAL HB H 2.33 . 1 1810 . 189 VAL HG1 H 1.27 . 2 1811 . 189 VAL HG2 H 1.31 . 2 1812 . 189 VAL CG1 C 20.8 . 1 1813 . 189 VAL CG2 C 23.9 . 1 1814 . 190 VAL N N 121.3 . 1 1815 . 190 VAL H H 9.05 . 1 1816 . 190 VAL CA C 66.0 . 1 1817 . 190 VAL HA H 3.63 . 1 1818 . 190 VAL CB C 31.0 . 1 1819 . 190 VAL HB H 2.26 . 1 1820 . 190 VAL HG1 H 1.21 . 2 1821 . 190 VAL HG2 H 0.94 . 2 1822 . 190 VAL CG1 C 24.5 . 1 1823 . 190 VAL CG2 C 24.1 . 1 1824 . 191 GLU N N 120.5 . 1 1825 . 191 GLU H H 8.06 . 1 1826 . 191 GLU CA C 60.8 . 1 1827 . 191 GLU HA H 3.59 . 1 1828 . 191 GLU CB C 28.8 . 1 1829 . 191 GLU HB2 H 2.15 . 2 1830 . 191 GLU HB3 H 2.21 . 2 1831 . 191 GLU CG C 35.5 . 1 1832 . 191 GLU HG2 H 2.15 . 1 1833 . 191 GLU HG3 H 2.15 . 1 1834 . 192 GLN N N 114.8 . 1 1835 . 192 GLN H H 7.18 . 1 1836 . 192 GLN CA C 58.7 . 1 1837 . 192 GLN HA H 3.97 . 1 1838 . 192 GLN CB C 27.7 . 1 1839 . 192 GLN HB2 H 2.12 . 2 1840 . 192 GLN HB3 H 2.20 . 2 1841 . 192 GLN CG C 33.6 . 1 1842 . 192 GLN HG2 H 2.44 . 2 1843 . 192 GLN HG3 H 2.42 . 2 1844 . 192 GLN NE2 N 113.1 . 1 1845 . 192 GLN HE21 H 7.54 . 2 1846 . 192 GLN HE22 H 6.89 . 2 1847 . 193 MET N N 119.4 . 1 1848 . 193 MET H H 8.27 . 1 1849 . 193 MET CA C 59.7 . 1 1850 . 193 MET HA H 4.15 . 1 1851 . 193 MET CB C 34.1 . 1 1852 . 193 MET HB2 H 2.15 . 1 1853 . 193 MET HB3 H 2.15 . 1 1854 . 193 MET CG C 32.2 . 1 1855 . 193 MET HG2 H 2.48 . 2 1856 . 193 MET HG3 H 2.82 . 2 1857 . 193 MET HE H 1.88 . 1 1858 . 193 MET CE C 16.4 . 1 1859 . 194 CYS N N 119.4 . 1 1860 . 194 CYS H H 9.20 . 1 1861 . 194 CYS CA C 59.7 . 1 1862 . 194 CYS HA H 4.41 . 1 1863 . 194 CYS CB C 41.7 . 1 1864 . 194 CYS HB2 H 2.88 . 2 1865 . 194 CYS HB3 H 3.51 . 2 1866 . 195 ILE N N 123.8 . 1 1867 . 195 ILE H H 8.25 . 1 1868 . 195 ILE CA C 66.4 . 1 1869 . 195 ILE HA H 3.57 . 1 1870 . 195 ILE CB C 37.8 . 1 1871 . 195 ILE HB H 2.01 . 1 1872 . 195 ILE HG2 H 0.88 . 1 1873 . 195 ILE CG2 C 17.0 . 1 1874 . 195 ILE CG1 C 30.7 . 1 1875 . 195 ILE HG12 H 1.97 . 2 1876 . 195 ILE HG13 H 0.83 . 2 1877 . 195 ILE HD1 H 0.83 . 1 1878 . 195 ILE CD1 C 13.9 . 1 1879 . 196 THR N N 118.6 . 1 1880 . 196 THR H H 8.11 . 1 1881 . 196 THR CA C 66.7 . 1 1882 . 196 THR HA H 3.93 . 1 1883 . 196 THR CB C 68.0 . 1 1884 . 196 THR HB H 4.31 . 1 1885 . 196 THR HG2 H 1.22 . 1 1886 . 196 THR CG2 C 21.8 . 1 1887 . 197 GLN N N 122.4 . 1 1888 . 197 GLN H H 8.76 . 1 1889 . 197 GLN CA C 58.3 . 1 1890 . 197 GLN HA H 3.63 . 1 1891 . 197 GLN CB C 27.9 . 1 1892 . 197 GLN HB2 H 2.28 . 2 1893 . 197 GLN HB3 H 2.08 . 2 1894 . 197 GLN CG C 32.8 . 1 1895 . 197 GLN HG2 H 1.74 . 2 1896 . 197 GLN HG3 H 1.70 . 2 1897 . 197 GLN NE2 N 115.7 . 1 1898 . 197 GLN HE21 H 7.31 . 2 1899 . 197 GLN HE22 H 6.73 . 2 1900 . 198 TYR N N 121.3 . 1 1901 . 198 TYR H H 8.54 . 1 1902 . 198 TYR CA C 62.0 . 1 1903 . 198 TYR HA H 2.95 . 1 1904 . 198 TYR CB C 36.9 . 1 1905 . 198 TYR HB2 H 3.09 . 2 1906 . 198 TYR HB3 H 2.72 . 2 1907 . 198 TYR HD1 H 6.20 . 1 1908 . 198 TYR HD2 H 6.20 . 1 1909 . 198 TYR HE1 H 6.55 . 1 1910 . 198 TYR HE2 H 6.55 . 1 1911 . 198 TYR CD1 C 132.6 . 1 1912 . 198 TYR CE1 C 117.7 . 1 1913 . 199 GLU N N 120.6 . 1 1914 . 199 GLU H H 8.27 . 1 1915 . 199 GLU CA C 59.1 . 1 1916 . 199 GLU HA H 3.74 . 1 1917 . 199 GLU CB C 27.9 . 1 1918 . 199 GLU HB2 H 2.35 . 2 1919 . 199 GLU HB3 H 2.06 . 2 1920 . 199 GLU CG C 34.6 . 1 1921 . 199 GLU HG2 H 2.41 . 2 1922 . 199 GLU HG3 H 2.63 . 2 1923 . 200 ARG N N 119.2 . 1 1924 . 200 ARG H H 7.97 . 1 1925 . 200 ARG CA C 59.0 . 1 1926 . 200 ARG HA H 4.05 . 1 1927 . 200 ARG CB C 30.0 . 1 1928 . 200 ARG HB2 H 1.80 . 2 1929 . 200 ARG HB3 H 1.94 . 2 1930 . 200 ARG CG C 26.8 . 1 1931 . 200 ARG HG2 H 1.59 . 2 1932 . 200 ARG HG3 H 1.83 . 2 1933 . 200 ARG CD C 43.9 . 1 1934 . 200 ARG HD2 H 2.90 . 2 1935 . 200 ARG HD3 H 3.06 . 2 1936 . 200 ARG NE N 84.1 . 1 1937 . 200 ARG HE H 7.23 . 1 1938 . 201 GLU N N 118.8 . 1 1939 . 201 GLU H H 8.36 . 1 1940 . 201 GLU CA C 57.6 . 1 1941 . 201 GLU HA H 4.03 . 1 1942 . 201 GLU CB C 28.9 . 1 1943 . 201 GLU HB2 H 1.68 . 1 1944 . 201 GLU HB3 H 1.68 . 1 1945 . 201 GLU CG C 35.7 . 1 1946 . 201 GLU HG2 H 2.22 . 2 1947 . 201 GLU HG3 H 2.40 . 2 1948 . 202 SER N N 115.7 . 1 1949 . 202 SER H H 8.39 . 1 1950 . 202 SER CA C 61.0 . 1 1951 . 202 SER HA H 3.90 . 1 1952 . 202 SER CB C 62.3 . 1 1953 . 202 SER HB2 H 3.40 . 2 1954 . 202 SER HB3 H 3.61 . 2 1955 . 203 GLN N N 120.3 . 1 1956 . 203 GLN H H 7.61 . 1 1957 . 203 GLN CA C 57.9 . 1 1958 . 203 GLN HA H 4.10 . 1 1959 . 203 GLN CB C 28.1 . 1 1960 . 203 GLN HB2 H 2.09 . 1 1961 . 203 GLN HB3 H 2.09 . 1 1962 . 203 GLN CG C 33.7 . 1 1963 . 203 GLN HG2 H 2.46 . 2 1964 . 203 GLN HG3 H 2.36 . 2 1965 . 203 GLN NE2 N 111.8 . 1 1966 . 203 GLN HE21 H 7.45 . 2 1967 . 203 GLN HE22 H 6.79 . 2 1968 . 204 ALA N N 120.8 . 1 1969 . 204 ALA H H 7.51 . 1 1970 . 204 ALA CA C 53.8 . 1 1971 . 204 ALA HA H 4.16 . 1 1972 . 204 ALA HB H 1.38 . 1 1973 . 204 ALA CB C 18.4 . 1 1974 . 205 TYR N N 119.1 . 1 1975 . 205 TYR H H 8.02 . 1 1976 . 205 TYR CA C 60.0 . 1 1977 . 205 TYR HA H 4.17 . 1 1978 . 205 TYR CB C 38.9 . 1 1979 . 205 TYR HB2 H 2.98 . 2 1980 . 205 TYR HB3 H 2.79 . 2 1981 . 205 TYR HD1 H 6.66 . 1 1982 . 205 TYR HD2 H 6.66 . 1 1983 . 205 TYR HE1 H 6.76 . 1 1984 . 205 TYR HE2 H 6.76 . 1 1985 . 205 TYR CD1 C 133.0 . 1 1986 . 205 TYR CE1 C 117.7 . 1 1987 . 206 TYR N N 118.0 . 1 1988 . 206 TYR H H 7.91 . 1 1989 . 206 TYR CA C 58.9 . 1 1990 . 206 TYR HA H 4.36 . 1 1991 . 206 TYR CB C 38.0 . 1 1992 . 206 TYR HB2 H 2.90 . 2 1993 . 206 TYR HB3 H 3.11 . 2 1994 . 206 TYR HD1 H 7.15 . 1 1995 . 206 TYR HD2 H 7.15 . 1 1996 . 206 TYR HE1 H 6.82 . 1 1997 . 206 TYR HE2 H 6.82 . 1 1998 . 206 TYR CD1 C 133.2 . 1 1999 . 206 TYR CE1 C 117.9 . 1 2000 . 207 GLN N N 119.6 . 1 2001 . 207 GLN H H 7.85 . 1 2002 . 207 GLN CA C 55.8 . 1 2003 . 207 GLN HA H 4.22 . 1 2004 . 207 GLN CB C 28.6 . 1 2005 . 207 GLN HB2 H 2.02 . 2 2006 . 207 GLN HB3 H 2.10 . 2 2007 . 207 GLN CG C 33.7 . 1 2008 . 207 GLN HG2 H 2.34 . 1 2009 . 207 GLN HG3 H 2.34 . 1 2010 . 207 GLN NE2 N 111.8 . 1 2011 . 207 GLN HE21 H 7.45 . 2 2012 . 207 GLN HE22 H 6.79 . 2 2013 . 208 ARG N N 120.9 . 1 2014 . 208 ARG H H 7.97 . 1 2015 . 208 ARG CA C 56.2 . 1 2016 . 208 ARG HA H 4.26 . 1 2017 . 208 ARG CB C 30.7 . 1 2018 . 208 ARG HB2 H 1.81 . 2 2019 . 208 ARG HB3 H 1.83 . 2 2020 . 208 ARG CG C 26.9 . 1 2021 . 208 ARG HG2 H 1.66 . 2 2022 . 208 ARG HG3 H 1.60 . 2 2023 . 208 ARG CD C 43.1 . 1 2024 . 208 ARG HD2 H 3.12 . 1 2025 . 208 ARG HD3 H 3.12 . 1 2026 . 208 ARG NE N 84.5 . 1 2027 . 208 ARG HE H 7.14 . 1 2028 . 209 GLY N N 109.9 . 1 2029 . 209 GLY H H 8.29 . 1 2030 . 209 GLY CA C 45.0 . 1 2031 . 209 GLY HA2 H 3.94 . 1 2032 . 209 GLY HA3 H 3.94 . 1 2033 . 210 SER N N 120.7 . 1 2034 . 210 SER H H 7.84 . 1 2035 . 210 SER CA C 58.3 . 1 2036 . 210 SER HA H 4.49 . 1 2037 . 210 SER CB C 63.6 . 1 2038 . 210 SER HB2 H 3.88 . 1 2039 . 210 SER HB3 H 3.88 . 1 stop_ save_