data_4272 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C Resonance Assignments of SynaptobrevinII ; _BMRB_accession_number 4272 _BMRB_flat_file_name bmr4272.str _Entry_type original _Submission_date 1998-12-01 _Accession_date 1998-12-01 _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 Hazzard James W . 2 Sudhof Thomas C . 3 Rizo Josep . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 341 "13C chemical shifts" 351 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-10-26 original author . stop_ _Original_release_date 1999-10-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Hazzard, J., Sudhof, T. C., and Rizo, J., "NMR analysis of the structure of synaptobrevin and of its interaction with syntaxin," J. Biomol. NMR, 14, 203-207 (1999). ; _Citation_title ; NMR analysis of the structure of synaptobrevin and of its interaction with syntaxin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99410887 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hazzard James . . 2 Sudhof Thomas C . 3 Rizo Josep . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomoelcular NMR' _Journal_volume 14 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 203 _Page_last 207 _Year 1999 _Details . loop_ _Keyword synaptobrevin stop_ save_ ################################## # Molecular system description # ################################## save_system_synaptobrevinII _Saveframe_category molecular_system _Mol_system_name 'synaptobrevinII cytoplasmic domain residues 1-96' _Abbreviation_common synaptobrevinII _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label synaptobrevinII $synaptobrevinII stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'Member of the fusion core-complex for synaptoc vesicle exocytosis.' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_synaptobrevinII _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common synaptobrevinII _Abbreviation_common vamp _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MSATAATAPPAAPAGEGGPP APPPNLTSNRRLQQTQAQVD EVVDIMRVNVDKVLERDQKL SELDDRADALQAGASQFETS AAKLKRKYWWKNLKMM ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ALA 4 THR 5 ALA 6 ALA 7 THR 8 ALA 9 PRO 10 PRO 11 ALA 12 ALA 13 PRO 14 ALA 15 GLY 16 GLU 17 GLY 18 GLY 19 PRO 20 PRO 21 ALA 22 PRO 23 PRO 24 PRO 25 ASN 26 LEU 27 THR 28 SER 29 ASN 30 ARG 31 ARG 32 LEU 33 GLN 34 GLN 35 THR 36 GLN 37 ALA 38 GLN 39 VAL 40 ASP 41 GLU 42 VAL 43 VAL 44 ASP 45 ILE 46 MET 47 ARG 48 VAL 49 ASN 50 VAL 51 ASP 52 LYS 53 VAL 54 LEU 55 GLU 56 ARG 57 ASP 58 GLN 59 LYS 60 LEU 61 SER 62 GLU 63 LEU 64 ASP 65 ASP 66 ARG 67 ALA 68 ASP 69 ALA 70 LEU 71 GLN 72 ALA 73 GLY 74 ALA 75 SER 76 GLN 77 PHE 78 GLU 79 THR 80 SER 81 ALA 82 ALA 83 LYS 84 LEU 85 LYS 86 ARG 87 LYS 88 TYR 89 TRP 90 TRP 91 LYS 92 ASN 93 LEU 94 LYS 95 MET 96 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-25 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 16508 synaptobrevin 100.00 116 98.96 98.96 1.31e-61 BMRB 16514 syb96 100.00 96 98.96 98.96 6.21e-61 PDB 1KIL "Three-Dimensional Structure Of The ComplexinSNARE COMPLEX" 67.71 66 100.00 100.00 8.46e-38 PDB 1N7S "High Resolution Structure Of A Truncated Neuronal Snare Complex" 64.58 63 100.00 100.00 7.07e-35 PDB 1SFC "Neuronal Synaptic Fusion Complex" 100.00 96 98.96 98.96 6.21e-61 PDB 2KOG "Lipid-Bound Synaptobrevin Solution Nmr Structure" 100.00 119 98.96 98.96 1.34e-61 PDB 2N1T "Dynamic Binding Mode Of A Synaptotagmin-1-snare Complex In Solution" 71.88 69 100.00 100.00 5.67e-41 PDB 3HD7 "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup C 1 2 1" 69.79 91 100.00 100.00 5.22e-40 PDB 3IPD "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup I 21 21 21" 69.79 91 100.00 100.00 5.22e-40 PDB 3J96 "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state I)" 64.58 63 100.00 100.00 7.07e-35 PDB 3J97 "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Ii)" 64.58 63 100.00 100.00 7.07e-35 PDB 3J98 "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiia)" 64.58 63 100.00 100.00 7.07e-35 PDB 3J99 "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiib)" 64.58 63 100.00 100.00 7.07e-35 PDB 5CCG "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (long Unit Cell Form)" 64.58 63 100.00 100.00 7.07e-35 PDB 5CCH "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" 64.58 63 100.00 100.00 7.07e-35 PDB 5CCI "Structure Of The Mg2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" 64.58 63 100.00 100.00 7.07e-35 DBJ BAC41125 "unnamed protein product [Mus musculus]" 100.00 116 98.96 98.96 1.31e-61 DBJ BAE90084 "unnamed protein product [Macaca fascicularis]" 100.00 116 100.00 100.00 5.46e-62 DBJ BAF82244 "unnamed protein product [Homo sapiens]" 100.00 116 100.00 100.00 5.46e-62 DBJ BAG73857 "vesicle-associated membrane protein 2 [synthetic construct]" 98.96 118 100.00 100.00 4.87e-61 EMBL CAA12385 "vesicle associated membrane protein 2 [Homo sapiens]" 100.00 116 100.00 100.00 5.12e-62 EMBL CAA53792 "synaptobrevin [Bos taurus]" 100.00 116 100.00 100.00 5.12e-62 EMBL CAB43509 "vesicle associated membrane protein 2B [Rattus norvegicus]" 100.00 135 98.96 98.96 1.33e-60 EMBL CDQ77958 "unnamed protein product [Oncorhynchus mykiss]" 75.00 124 97.22 97.22 2.20e-41 GB AAA42321 "vesicle associated membrane protein VAMP-2 [Rattus norvegicus]" 100.00 116 98.96 98.96 1.31e-61 GB AAA60604 "synaptobrevin 2 (SYB2) [Homo sapiens]" 100.00 116 100.00 100.00 5.12e-62 GB AAB03463 "VAMP-2 [Mus musculus]" 100.00 116 98.96 98.96 1.31e-61 GB AAB62931 "vesicle associated membrane protein 2 [Mus musculus]" 100.00 116 98.96 98.96 1.49e-61 GB AAB88138 "synaptobrevin [Xenopus laevis]" 77.08 114 97.30 98.65 9.73e-44 REF NP_001027992 "vesicle-associated membrane protein 2 [Macaca mulatta]" 100.00 116 100.00 100.00 5.46e-62 REF NP_001034578 "vesicle-associated membrane protein 3 [Gallus gallus]" 70.83 104 97.06 97.06 8.75e-39 REF NP_001080944 "vesicle-associated membrane protein 2 [Xenopus laevis]" 77.08 114 97.30 98.65 9.73e-44 REF NP_001088233 "vesicle-associated membrane protein 1 (synaptobrevin 1) [Xenopus laevis]" 69.79 101 98.51 98.51 1.19e-38 REF NP_001272142 "uncharacterized protein LOC101864935 [Macaca fascicularis]" 100.00 116 100.00 100.00 5.46e-62 SP P47193 "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=SYBII; AltName: Full=Synaptobrevin-2" 77.08 114 97.30 98.65 9.73e-44 SP P63026 "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" 100.00 116 100.00 100.00 5.12e-62 SP P63027 "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" 100.00 116 100.00 100.00 5.46e-62 SP P63044 "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" 100.00 116 98.96 98.96 1.31e-61 SP P63045 "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" 100.00 116 98.96 98.96 1.31e-61 TPG DAA18807 "TPA: vesicle-associated membrane protein 2 [Bos taurus]" 100.00 116 100.00 100.00 5.12e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Tissue $synaptobrevinII human 9606 Eukaryota Metazoa Homo sapiens brain neuron stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name _Details $synaptobrevinII 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 plasmid pGEX-KG 'expressed as GST fusion protein' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details 'shigemi tube' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $synaptobrevinII 0.45 mM 0.4 0.5 '[U-13C; U-15N]' Phosphate 60 mM . . . EDTA 0.5 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name Felix _Version 1.1 loop_ _Task 'processing all data' stop_ _Details . save_ save_software_two _Saveframe_category software _Name NmrView _Version 3.0 loop_ _Task 'peak analysis and assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label . save_ save_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _Sample_label . save_ save_TOCSY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_(H)CBCACO(CA)HA_6 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CBCACO(CA)HA _Sample_label . save_ save_(H)C(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CBCACO(CA)HA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details ; 0.45mM synaptobrevin 60mM Phosphate pH6.1 25C 0.5mM EDTA ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.1 na temperature 298 0.5 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 H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 DSS C 13 'methyl carbons' ppm 0.0 external direct . . . 1.0 Nitromethane N 15 nitrogen ppm -379.6 external direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name synaptobrevinII _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 4.42 0.03 1 2 . 1 MET C C 176.15 0.23 1 3 . 1 MET CA C 55.42 0.23 1 4 . 1 MET CB C 31.89 0.23 1 5 . 2 SER H H 8.28 0.03 1 6 . 2 SER HA H 4.40 0.03 1 7 . 2 SER HB2 H 3.84 0.03 2 8 . 2 SER C C 174.29 0.23 1 9 . 2 SER CA C 58.06 0.23 1 10 . 2 SER CB C 63.38 0.23 1 11 . 2 SER N N 116.88 0.16 1 12 . 3 ALA H H 8.35 0.03 1 13 . 3 ALA HA H 4.34 0.03 1 14 . 3 ALA HB H 1.39 0.03 1 15 . 3 ALA C C 177.90 0.23 1 16 . 3 ALA CA C 52.50 0.23 1 17 . 3 ALA CB C 19.14 0.23 1 18 . 3 ALA N N 126.015 0.16 1 19 . 4 THR H H 8.02 0.03 1 20 . 4 THR HA H 4.25 0.03 1 21 . 4 THR HB H 4.14 0.03 1 22 . 4 THR HG2 H 1.16 0.03 2 23 . 4 THR C C 174.27 0.23 1 24 . 4 THR CA C 61.45 0.23 1 25 . 4 THR CB C 69.44 0.23 1 26 . 4 THR CG2 C 21.59 0.23 1 27 . 4 THR N N 112.721 0.16 1 28 . 5 ALA H H 8.15 0.03 1 29 . 5 ALA HA H 4.27 0.03 1 30 . 5 ALA HB H 1.36 0.03 1 31 . 5 ALA C C 177.31 0.23 1 32 . 5 ALA CA C 52.25 0.23 1 33 . 5 ALA CB C 19.13 0.23 1 34 . 5 ALA N N 126.304 0.16 1 35 . 6 ALA H H 8.21 0.03 1 36 . 6 ALA HA H 4.31 0.03 1 37 . 6 ALA HB H 1.36 0.03 1 38 . 6 ALA C C 177.76 0.23 1 39 . 6 ALA CA C 52.29 0.23 1 40 . 6 ALA CB C 19.13 0.23 1 41 . 6 ALA N N 123.135 0.16 1 42 . 7 THR H H 7.98 0.03 1 43 . 7 THR HA H 4.25 0.03 1 44 . 7 THR HB H 4.14 0.03 1 45 . 7 THR HG2 H 1.16 0.03 2 46 . 7 THR C C 173.78 0.23 1 47 . 7 THR CA C 61.24 0.23 1 48 . 7 THR CB C 69.56 0.23 1 49 . 7 THR CG2 C 21.59 0.23 1 50 . 7 THR N N 113.003 0.16 1 51 . 8 ALA H H 8.17 0.03 1 52 . 8 ALA HA H 4.57 0.03 1 53 . 8 ALA HB H 1.31 0.03 1 54 . 8 ALA CA C 50.15 0.23 1 55 . 8 ALA CB C 18.14 0.23 1 56 . 8 ALA N N 127.85 0.16 1 57 . 10 PRO HA H 4.33 0.03 1 58 . 10 PRO HB2 H 2.22 0.03 2 59 . 10 PRO HG2 H 1.84 0.03 2 60 . 10 PRO C C 176.38 0.23 1 61 . 10 PRO CA C 62.52 0.23 1 62 . 10 PRO CB C 32.01 0.23 1 63 . 10 PRO CG C 27.31 0.23 1 64 . 10 PRO CD C 50.23 0.23 1 65 . 11 ALA H H 8.27 0.03 1 66 . 11 ALA HA H 4.22 0.03 1 67 . 11 ALA HB H 1.32 0.03 1 68 . 11 ALA C C 176.95 0.23 1 69 . 11 ALA CA C 51.71 0.23 1 70 . 11 ALA CB C 19.24 0.23 1 71 . 11 ALA N N 124.28 0.16 1 72 . 12 ALA H H 8.22 0.03 1 73 . 12 ALA HA H 4.54 0.03 1 74 . 12 ALA HB H 1.29 0.03 1 75 . 12 ALA CA C 49.95 0.23 1 76 . 12 ALA CB C 18.21 0.23 1 77 . 12 ALA N N 124.69 0.16 1 78 . 13 PRO HA H 4.33 0.03 1 79 . 13 PRO HG2 H 1.85 0.03 2 80 . 13 PRO C C 176.62 0.23 1 81 . 13 PRO CA C 62.77 0.23 1 82 . 13 PRO CB C 32.04 0.23 1 83 . 13 PRO CG C 27.37 0.23 1 84 . 13 PRO CD C 50.28 0.23 1 85 . 14 ALA H H 8.40 0.03 1 86 . 14 ALA HA H 4.26 0.03 1 87 . 14 ALA HB H 1.36 0.03 1 88 . 14 ALA C C 178.24 0.23 1 89 . 14 ALA CA C 52.30 0.23 1 90 . 14 ALA CB C 19.12 0.23 1 91 . 14 ALA N N 124.50 0.16 1 92 . 15 GLY H H 8.30 0.03 1 93 . 15 GLY HA2 H 3.92 0.03 2 94 . 15 GLY C C 174.9 0.23 1 95 . 15 GLY CA C 45.01 0.23 1 96 . 15 GLY N N 108.14 0.16 1 97 . 16 GLU H H 8.26 0.03 1 98 . 16 GLU HA H 4.28 0.03 1 99 . 16 GLU HB2 H 2.05 0.03 2 100 . 16 GLU HB3 H 1.89 0.03 2 101 . 16 GLU HG2 H 2.21 0.03 2 102 . 16 GLU C C 176.94 0.23 1 103 . 16 GLU CA C 56.23 0.23 1 104 . 16 GLU CB C 30.13 0.23 1 105 . 16 GLU CG C 36.07 0.23 1 106 . 16 GLU N N 120.559 0.16 1 107 . 17 GLY H H 8.47 0.03 1 108 . 17 GLY HA2 H 3.94 0.03 2 109 . 17 GLY C C 174.23 0.23 1 110 . 17 GLY CA C 44.95 0.23 1 111 . 17 GLY N N 109.941 0.16 1 112 . 18 GLY H H 8.04 0.03 1 113 . 18 GLY HA2 H 4.12 0.03 2 114 . 18 GLY HA3 H 3.99 0.03 2 115 . 18 GLY CA C 44.10 0.23 1 116 . 18 GLY N N 108.753 0.16 1 117 . 20 PRO HA H 4.36 0.03 1 118 . 20 PRO HB2 H 2.22 0.03 2 119 . 20 PRO HB3 H 1.95 0.03 2 120 . 20 PRO HG2 H 1.83 0.03 2 121 . 20 PRO C C 176.18 0.23 1 122 . 20 PRO CA C 62.57 0.23 1 123 . 20 PRO CB C 31.91 0.23 1 124 . 20 PRO CG C 27.23 0.23 1 125 . 20 PRO CD C 50.19 0.23 1 126 . 21 ALA H H 8.29 0.03 1 127 . 21 ALA HA H 4.53 0.03 1 128 . 21 ALA HB H 1.29 0.03 1 129 . 21 ALA CA C 49.90 0.23 1 130 . 21 ALA CB C 17.97 0.23 1 131 . 21 ALA N N 125.447 0.16 1 132 . 24 PRO HA H 4.33 0.03 1 133 . 24 PRO HB2 H 1.97 0.03 2 134 . 24 PRO HG2 H 1.83 0.03 2 135 . 24 PRO C C 176.47 0.23 1 136 . 24 PRO CA C 62.99 0.23 1 137 . 24 PRO CB C 32.03 0.23 1 138 . 24 PRO CG C 27.31 0.23 1 139 . 24 PRO CD C 50.28 0.23 1 140 . 25 ASN H H 8.40 0.03 1 141 . 25 ASN HA H 4.63 0.03 1 142 . 25 ASN HB2 H 2.78 0.03 2 143 . 25 ASN HB3 H 2.73 0.03 2 144 . 25 ASN C C 175.18 0.23 1 145 . 25 ASN CA C 52.86 0.23 1 146 . 25 ASN CB C 38.30 0.23 1 147 . 25 ASN N N 117.892 0.16 1 148 . 26 LEU H H 8.21 0.03 1 149 . 26 LEU HA H 4.38 0.03 1 150 . 26 LEU HB2 H 1.61 0.03 2 151 . 26 LEU HD1 H 0.88 0.03 4 152 . 26 LEU C C 177.60 0.23 1 153 . 26 LEU CA C 55.16 0.23 1 154 . 26 LEU CB C 42.04 0.23 1 155 . 26 LEU CG C 26.89 0.23 2 156 . 26 LEU CD1 C 24.99 0.23 2 157 . 26 LEU CD2 C 23.30 0.23 2 158 . 26 LEU N N 122.717 0.16 1 159 . 27 THR H H 8.08 0.03 1 160 . 27 THR HA H 4.30 0.03 1 161 . 27 THR HB H 4.23 0.03 1 162 . 27 THR HG2 H 1.16 0.03 2 163 . 27 THR C C 174.71 0.23 1 164 . 27 THR CA C 61.74 0.23 1 165 . 27 THR CB C 69.27 0.23 1 166 . 27 THR CG2 C 21.59 0.23 1 167 . 27 THR N N 113.752 0.16 1 168 . 28 SER H H 8.19 0.03 1 169 . 28 SER HA H 4.38 0.03 1 170 . 28 SER HB2 H 3.86 0.03 2 171 . 28 SER HB3 H 3.80 0.03 2 172 . 28 SER C C 174.35 0.23 1 173 . 28 SER CA C 58.18 0.23 1 174 . 28 SER CB C 63.29 0.23 1 175 . 28 SER N N 117.339 0.16 1 176 . 29 ASN H H 8.36 0.03 1 177 . 29 ASN HA H 4.65 0.03 1 178 . 29 ASN HB2 H 2.78 0.03 2 179 . 29 ASN C C 175.23 0.23 1 180 . 29 ASN CA C 53.17 0.23 1 181 . 29 ASN CB C 38.33 0.23 1 182 . 29 ASN N N 120.669 0.16 1 183 . 30 ARG H H 8.19 0.03 1 184 . 30 ARG HA H 4.22 0.03 1 185 . 30 ARG HB2 H 1.87 0.03 2 186 . 30 ARG HB3 H 1.73 0.03 2 187 . 30 ARG HG2 H 1.58 0.03 2 188 . 30 ARG C C 176.25 0.23 1 189 . 30 ARG CA C 56.21 0.23 1 190 . 30 ARG CB C 30.41 0.23 4 191 . 30 ARG CG C 27.00 0.23 4 192 . 30 ARG CD C 42.90 0.23 1 193 . 30 ARG N N 121.184 0.16 1 194 . 31 ARG H H 8.24 0.03 1 195 . 31 ARG HA H 4.25 0.03 1 196 . 31 ARG HB2 H 1.80 0.03 2 197 . 31 ARG HB3 H 1.74 0.03 2 198 . 31 ARG HG2 H 1.58 0.03 2 199 . 31 ARG C C 176.35 0.23 1 200 . 31 ARG CA C 56.36 0.23 1 201 . 31 ARG CB C 30.30 0.23 4 202 . 31 ARG CG C 27.17 0.23 4 203 . 31 ARG CD C 43.18 0.23 1 204 . 31 ARG N N 121.25 0.16 1 205 . 32 LEU H H 8.14 0.03 1 206 . 32 LEU HA H 4.28 0.03 1 207 . 32 LEU HB2 H 1.61 0.03 2 208 . 32 LEU HB3 H 1.55 0.03 2 209 . 32 LEU C C 177.30 0.23 1 210 . 32 LEU CA C 55.22 0.23 1 211 . 32 LEU CB C 41.99 0.23 1 212 . 32 LEU CG C 27.00 0.23 2 213 . 32 LEU CD1 C 24.94 0.23 2 214 . 32 LEU CD2 C 23.30 0.23 2 215 . 32 LEU N N 122.691 0.16 1 216 . 33 GLN H H 8.26 0.03 1 217 . 33 GLN HA H 4.28 0.03 1 218 . 33 GLN HB2 H 2.05 0.03 2 219 . 33 GLN HB3 H 1.89 0.03 2 220 . 33 GLN HG2 H 2.21 0.03 2 221 . 33 GLN C C 175.85 0.23 1 222 . 33 GLN CA C 55.84 0.23 1 223 . 33 GLN CB C 29.28 0.23 1 224 . 33 GLN CG C 33.79 0.23 4 225 . 33 GLN N N 120.559 0.16 1 226 . 34 GLN H H 8.35 0.03 1 227 . 34 GLN HA H 4.35 0.03 1 228 . 34 GLN HB2 H 2.08 0.03 2 229 . 34 GLN HB3 H 1.97 0.03 2 230 . 34 GLN HG2 H 2.33 0.03 2 231 . 34 GLN C C 176.09 0.23 1 232 . 34 GLN CA C 55.77 0.23 1 233 . 34 GLN CB C 29.31 0.23 1 234 . 34 GLN CG C 33.80 0.23 4 235 . 34 GLN N N 121.327 0.16 1 236 . 35 THR H H 8.17 0.03 1 237 . 35 THR HA H 4.28 0.03 1 238 . 35 THR HB H 4.18 0.03 1 239 . 35 THR HG2 H 1.16 0.03 2 240 . 35 THR C C 174.40 0.23 1 241 . 35 THR CA C 61.68 0.23 1 242 . 35 THR CB C 69.38 0.23 1 243 . 35 THR CG2 C 21.65 0.23 1 244 . 35 THR N N 115.152 0.16 1 245 . 36 GLN H H 8.36 0.03 1 246 . 36 GLN HA H 4.27 0.03 1 247 . 36 GLN HB2 H 2.05 0.03 2 248 . 36 GLN HB3 H 1.95 0.03 2 249 . 36 GLN HG2 H 2.33 0.03 2 250 . 36 GLN C C 175.41 0.23 1 251 . 36 GLN CA C 55.67 0.23 1 252 . 36 GLN CB C 29.41 0.23 1 253 . 36 GLN CG C 33.72 0.23 4 254 . 36 GLN N N 122.429 0.16 1 255 . 37 ALA H H 8.26 0.03 1 256 . 37 ALA HA H 4.24 0.03 1 257 . 37 ALA HB H 1.33 0.03 1 258 . 37 ALA C C 177.45 0.23 1 259 . 37 ALA CA C 52.41 0.23 1 260 . 37 ALA CB C 19.02 0.23 1 261 . 37 ALA N N 124.975 0.16 1 262 . 38 GLN H H 8.27 0.03 1 263 . 38 GLN HA H 4.28 0.03 1 264 . 38 GLN HB2 H 2.05 0.03 2 265 . 38 GLN HB3 H 1.96 0.03 2 266 . 38 GLN HG2 H 2.31 0.03 2 267 . 38 GLN C C 175.92 0.23 1 268 . 38 GLN CA C 55.62 0.23 1 269 . 38 GLN CB C 29.21 0.23 1 270 . 38 GLN CG C 33.83 0.23 1 271 . 38 GLN N N 119.756 0.16 1 272 . 39 VAL H H 8.12 0.03 1 273 . 39 VAL HA H 4.08 0.03 1 274 . 39 VAL HB H 2.04 0.03 1 275 . 39 VAL HG1 H 0.87 0.03 2 276 . 39 VAL C C 175.66 0.23 1 277 . 39 VAL CA C 62.04 0.23 1 278 . 39 VAL CB C 32.71 0.23 1 279 . 39 VAL CG1 C 20.89 0.23 1 280 . 39 VAL N N 121.064 0.16 1 281 . 40 ASP H H 8.32 0.03 1 282 . 40 ASP HA H 4.56 0.03 1 283 . 40 ASP HB2 H 2.64 0.03 2 284 . 40 ASP HB3 H 2.53 0.03 2 285 . 40 ASP CA C 54.23 0.23 1 286 . 40 ASP CB C 41.00 0.23 1 287 . 40 ASP N N 123.383 0.16 1 288 . 41 GLU HA H 4.19 0.03 9 289 . 41 GLU HB2 H 1.89 0.03 9 290 . 41 GLU C C 176.14 0.23 9 291 . 41 GLU CA C 56.47 0.23 9 292 . 41 GLU CB C 30.38 0.23 9 293 . 41 GLU CG C 36.09 0.23 9 294 . 42 VAL H H 8.17 0.03 1 295 . 42 VAL HA H 4.03 0.03 1 296 . 42 VAL HB H 2.01 0.03 1 297 . 42 VAL HG1 H 0.87 0.03 2 298 . 42 VAL C C 176.05 0.23 1 299 . 42 VAL CA C 62.30 0.23 1 300 . 42 VAL CB C 32.43 0.23 1 301 . 42 VAL CG1 C 21.09 0.23 1 302 . 42 VAL N N 121.934 0.16 1 303 . 43 VAL H H 8.12 0.03 1 304 . 43 VAL HA H 4.03 0.03 1 305 . 43 VAL HB H 2.00 0.03 1 306 . 43 VAL HG1 H 0.87 0.03 2 307 . 43 VAL C C 175.64 0.23 1 308 . 43 VAL CA C 62.10 0.23 1 309 . 43 VAL CB C 32.64 0.23 1 310 . 43 VAL CG1 C 20.90 0.23 1 311 . 43 VAL N N 123.917 0.16 1 312 . 44 ASP H H 8.30 0.03 1 313 . 44 ASP HA H 4.60 0.03 1 314 . 44 ASP HB2 H 2.64 0.03 2 315 . 44 ASP HB3 H 2.52 0.03 2 316 . 44 ASP C C 176.47 0.23 1 317 . 44 ASP CA C 53.88 0.23 1 318 . 44 ASP CB C 40.96 0.23 1 319 . 44 ASP N N 124.093 0.16 1 320 . 45 ILE H H 8.04 0.03 1 321 . 45 ILE HA H 4.06 0.03 1 322 . 45 ILE HB H 1.85 0.03 1 323 . 45 ILE HG12 H 1.41 0.03 4 324 . 45 ILE HG2 H 0.87 0.03 4 325 . 45 ILE C C 176.30 0.23 1 326 . 45 ILE CA C 61.50 0.23 1 327 . 45 ILE CB C 38.35 0.23 1 328 . 45 ILE CG1 C 27.20 0.23 2 329 . 45 ILE CG2 C 17.61 0.23 2 330 . 45 ILE CD1 C 13.37 0.23 1 331 . 45 ILE N N 120.82 0.16 1 332 . 46 MET H H 8.27 0.03 1 333 . 46 MET HA H 4.40 0.03 1 334 . 46 MET HB2 H 2.03 0.03 2 335 . 46 MET HG2 H 2.60 0.03 2 336 . 46 MET HG3 H 2.46 0.03 2 337 . 46 MET C C 176.30 0.23 1 338 . 46 MET CA C 55.70 0.23 1 339 . 46 MET CB C 32.38 0.23 1 340 . 46 MET N N 121.674 0.16 1 341 . 47 ARG H H 8.03 0.03 1 342 . 47 ARG HA H 4.27 0.03 1 343 . 47 ARG HB2 H 1.81 0.03 4 344 . 47 ARG HB3 H 1.72 0.03 4 345 . 47 ARG C C 176.02 0.23 1 346 . 47 ARG CA C 55.81 0.23 1 347 . 47 ARG CB C 30.36 0.23 4 348 . 47 ARG CG C 27.18 0.23 4 349 . 47 ARG CD C 43.20 0.23 1 350 . 47 ARG N N 121.571 0.16 1 351 . 48 VAL H H 7.97 0.03 1 352 . 48 VAL HA H 4.03 0.03 1 353 . 48 VAL HB H 2.01 0.03 1 354 . 48 VAL HG1 H 0.87 0.03 2 355 . 48 VAL C C 175.66 0.23 1 356 . 48 VAL CA C 62.00 0.23 1 357 . 48 VAL CB C 32.69 0.23 1 358 . 48 VAL CG1 C 20.90 0.23 1 359 . 48 VAL N N 120.264 0.16 1 360 . 49 ASN H H 8.45 0.03 1 361 . 49 ASN HA H 4.71 0.03 1 362 . 49 ASN HB2 H 2.80 0.03 2 363 . 49 ASN HB3 H 2.70 0.03 2 364 . 49 ASN C C 175.20 0.23 1 365 . 49 ASN CA C 52.97 0.23 1 366 . 49 ASN CB C 38.72 0.23 1 367 . 49 ASN N N 122.151 0.16 1 368 . 50 VAL H H 8.05 0.03 1 369 . 50 VAL HA H 4.05 0.03 1 370 . 50 VAL HB H 2.07 0.03 1 371 . 50 VAL HG1 H 0.86 0.03 2 372 . 50 VAL C C 175.71 0.23 1 373 . 50 VAL CA C 62.10 0.23 1 374 . 50 VAL CB C 32.49 0.23 1 375 . 50 VAL CG1 C 21.10 0.23 2 376 . 50 VAL CG2 C 20.70 0.23 2 377 . 50 VAL N N 119.98 0.16 1 378 . 51 ASP H H 8.28 0.03 1 379 . 51 ASP HA H 4.53 0.03 1 380 . 51 ASP HB2 H 2.65 0.03 2 381 . 51 ASP HB3 H 2.56 0.03 2 382 . 51 ASP C C 176.17 0.23 1 383 . 51 ASP CA C 54.42 0.23 1 384 . 51 ASP CB C 40.88 0.23 1 385 . 51 ASP N N 122.862 0.16 1 386 . 52 LYS H H 8.05 0.03 1 387 . 52 LYS HA H 4.23 0.03 1 388 . 52 LYS HB2 H 1.75 0.03 4 389 . 52 LYS HG2 H 1.36 0.03 2 390 . 52 LYS HD2 H 1.70 0.03 4 391 . 52 LYS C C 176.52 0.23 1 392 . 52 LYS CA C 56.20 0.23 1 393 . 52 LYS CB C 32.76 0.23 4 394 . 52 LYS CG C 24.74 0.23 4 395 . 52 LYS CD C 29.03 0.23 4 396 . 52 LYS N N 121.122 0.16 1 397 . 53 VAL H H 8.03 0.03 1 398 . 53 VAL HA H 3.95 0.03 1 399 . 53 VAL HB H 2.02 0.03 1 400 . 53 VAL HG1 H 0.88 0.03 2 401 . 53 VAL C C 176.19 0.23 1 402 . 53 VAL CA C 62.70 0.23 1 403 . 53 VAL CB C 32.47 0.23 1 404 . 53 VAL CG1 C 21.15 0.23 2 405 . 53 VAL CG2 C 19.43 0.23 2 406 . 53 VAL N N 121.571 0.16 1 407 . 54 LEU H H 8.21 0.03 1 408 . 54 LEU HA H 4.27 0.03 1 409 . 54 LEU HB2 H 1.61 0.03 2 410 . 54 LEU HB3 H 1.52 0.03 2 411 . 54 LEU C C 177.40 0.23 1 412 . 54 LEU CA C 55.09 0.23 1 413 . 54 LEU CB C 41.99 0.23 1 414 . 54 LEU CG C 27.00 0.23 4 415 . 54 LEU CD1 C 24.90 0.23 2 416 . 54 LEU CD2 C 23.50 0.23 2 417 . 54 LEU N N 125.033 0.16 1 418 . 55 GLU H H 8.25 0.03 1 419 . 55 GLU HA H 4.20 0.03 1 420 . 55 GLU HB2 H 2.02 0.03 2 421 . 55 GLU HB3 H 1.90 0.03 2 422 . 55 GLU HG2 H 2.22 0.03 2 423 . 55 GLU C C 176.50 0.23 1 424 . 55 GLU CA C 56.30 0.23 1 425 . 55 GLU CB C 30.20 0.23 1 426 . 55 GLU CG C 36.20 0.23 4 427 . 55 GLU N N 121.449 0.16 1 428 . 56 ARG H H 8.18 0.03 1 429 . 56 ARG HA H 4.19 0.03 1 430 . 56 ARG C C 176.12 0.23 1 431 . 56 ARG CA C 56.50 0.23 1 432 . 56 ARG CB C 30.83 0.23 1 433 . 56 ARG CG C 26.90 0.23 1 434 . 56 ARG CD C 43.30 0.23 1 435 . 56 ARG N N 120.97 0.16 1 436 . 57 ASP H H 8.26 0.03 1 437 . 57 ASP HA H 4.51 0.03 1 438 . 57 ASP HB2 H 2.67 0.03 2 439 . 57 ASP HB3 H 2.59 0.03 2 440 . 57 ASP C C 176.40 0.23 1 441 . 57 ASP CA C 54.45 0.23 1 442 . 57 ASP CB C 40.90 0.23 1 443 . 57 ASP N N 120.559 0.16 1 444 . 58 GLN H H 8.21 0.03 1 445 . 58 GLN HA H 4.20 0.03 1 446 . 58 GLN HB2 H 2.04 0.03 2 447 . 58 GLN HB3 H 1.97 0.03 2 448 . 58 GLN HG2 H 2.30 0.03 2 449 . 58 GLN C C 176.09 0.23 1 450 . 58 GLN CA C 56.00 0.23 1 451 . 58 GLN CB C 29.30 0.23 1 452 . 58 GLN CG C 33.83 0.23 4 453 . 58 GLN N N 120.8 0.16 1 454 . 59 LYS H H 8.27 0.03 1 455 . 59 LYS HA H 4.20 0.03 1 456 . 59 LYS HB2 H 1.76 0.03 2 457 . 59 LYS HB3 H 1.39 0.03 2 458 . 59 LYS C C 176.84 0.23 1 459 . 59 LYS CA C 56.10 0.23 1 460 . 59 LYS CB C 32.40 0.23 1 461 . 59 LYS CG C 24.75 0.23 4 462 . 59 LYS CD C 28.97 0.23 4 463 . 59 LYS N N 121.674 0.16 1 464 . 60 LEU H H 8.16 0.03 1 465 . 60 LEU HA H 4.26 0.03 1 466 . 60 LEU HB2 H 1.63 0.03 2 467 . 60 LEU HB3 H 1.55 0.03 2 468 . 60 LEU C C 177.61 0.23 1 469 . 60 LEU CA C 55.41 0.23 1 470 . 60 LEU CB C 41.93 0.23 1 471 . 60 LEU CG C 27.04 0.23 4 472 . 60 LEU CD1 C 24.90 0.23 2 473 . 60 LEU CD2 C 23.31 0.23 2 474 . 60 LEU N N 122.442 0.16 1 475 . 61 SER H H 8.20 0.03 1 476 . 61 SER HA H 4.37 0.03 1 477 . 61 SER HB2 H 3.85 0.03 2 478 . 61 SER HB3 H 3.80 0.03 2 479 . 61 SER C C 174.66 0.23 1 480 . 61 SER CA C 58.38 0.23 1 481 . 61 SER CB C 63.46 0.23 1 482 . 61 SER N N 115.765 0.16 1 483 . 62 GLU H H 8.32 0.03 1 484 . 62 GLU HA H 4.23 0.03 1 485 . 62 GLU HB2 H 2.04 0.03 2 486 . 62 GLU HB3 H 1.91 0.03 2 487 . 62 GLU HG2 H 2.22 0.03 2 488 . 62 GLU C C 176.44 0.23 1 489 . 62 GLU CA C 56.59 0.23 1 490 . 62 GLU CB C 29.85 0.23 1 491 . 62 GLU CG C 36.18 0.23 4 492 . 62 GLU N N 122.217 0.16 1 493 . 63 LEU H H 8.00 0.03 1 494 . 63 LEU HA H 4.23 0.03 1 495 . 63 LEU HB2 H 1.59 0.03 2 496 . 63 LEU HB3 H 1.55 0.03 2 497 . 63 LEU C C 177.05 0.23 1 498 . 63 LEU CA C 55.15 0.23 1 499 . 63 LEU CB C 42.00 0.23 1 500 . 63 LEU CG C 26.93 0.23 4 501 . 63 LEU CD1 C 25.03 0.23 2 502 . 63 LEU CD2 C 23.31 0.23 2 503 . 63 LEU N N 121.297 0.16 1 504 . 64 ASP H H 8.09 0.03 1 505 . 64 ASP HA H 4.54 0.03 1 506 . 64 ASP HB2 H 2.69 0.03 2 507 . 64 ASP HB3 H 2.58 0.03 2 508 . 64 ASP C C 175.90 0.23 1 509 . 64 ASP CA C 54.35 0.23 1 510 . 64 ASP CB C 41.14 0.23 1 511 . 64 ASP N N 120.823 0.16 1 512 . 65 ASP H H 8.19 0.03 1 513 . 65 ASP HA H 4.54 0.03 1 514 . 65 ASP HB2 H 2.64 0.03 2 515 . 65 ASP C C 176.51 0.23 1 516 . 65 ASP CA C 54.30 0.23 1 517 . 65 ASP CB C 40.92 0.23 1 518 . 65 ASP N N 121.184 0.16 1 519 . 66 ARG H H 8.13 0.03 1 520 . 66 ARG HA H 4.23 0.03 1 521 . 66 ARG HB2 H 1.85 0.03 2 522 . 66 ARG HB3 H 1.76 0.03 2 523 . 66 ARG HG2 H 1.59 0.03 2 524 . 66 ARG C C 176.56 0.23 1 525 . 66 ARG CA C 56.17 0.23 1 526 . 66 ARG CB C 30.26 0.23 1 527 . 66 ARG CG C 26.95 0.23 4 528 . 66 ARG CD C 43.21 0.23 1 529 . 66 ARG N N 120.452 0.16 1 530 . 67 ALA H H 8.17 0.03 1 531 . 67 ALA HA H 4.16 0.03 1 532 . 67 ALA HB H 1.35 0.03 1 533 . 67 ALA C C 177.93 0.23 1 534 . 67 ALA CA C 53.00 0.23 1 535 . 67 ALA CB C 18.85 0.23 1 536 . 67 ALA N N 123.923 0.16 1 537 . 68 ASP H H 8.19 0.03 1 538 . 68 ASP HA H 4.48 0.03 1 539 . 68 ASP HB2 H 2.61 0.03 2 540 . 68 ASP C C 176.44 0.23 1 541 . 68 ASP CA C 54.29 0.23 1 542 . 68 ASP CB C 40.78 0.23 1 543 . 68 ASP N N 118.548 0.16 1 544 . 69 ALA H H 8.01 0.03 1 545 . 69 ALA HA H 4.18 0.03 1 546 . 69 ALA HB H 1.36 0.03 1 547 . 69 ALA C C 178.16 0.23 1 548 . 69 ALA CA C 52.70 0.23 1 549 . 69 ALA CB C 19.17 0.23 1 550 . 69 ALA N N 123.406 0.16 1 551 . 70 LEU H H 8.04 0.03 1 552 . 70 LEU HA H 4.22 0.03 1 553 . 70 LEU HB2 H 1.65 0.03 2 554 . 70 LEU HB3 H 1.53 0.03 2 555 . 70 LEU C C 177.72 0.23 1 556 . 70 LEU CA C 55.30 0.23 1 557 . 70 LEU CB C 41.80 0.23 1 558 . 70 LEU CG C 27.00 0.23 4 559 . 70 LEU CD1 C 25.00 0.23 2 560 . 70 LEU CD2 C 23.40 0.23 2 561 . 70 LEU N N 119.667 0.16 1 562 . 71 GLN H H 8.05 0.03 1 563 . 71 GLN HA H 4.22 0.03 1 564 . 71 GLN HB2 H 2.08 0.03 2 565 . 71 GLN HB3 H 1.95 0.03 2 566 . 71 GLN HG2 H 2.31 0.03 2 567 . 71 GLN C C 175.87 0.23 1 568 . 71 GLN CA C 55.60 0.23 1 569 . 71 GLN CB C 29.00 0.23 1 570 . 71 GLN CG C 33.67 0.23 4 571 . 71 GLN N N 119.98 0.16 1 572 . 72 ALA H H 8.19 0.03 1 573 . 72 ALA HA H 4.21 0.03 1 574 . 72 ALA HB H 1.35 0.03 1 575 . 72 ALA C C 178.25 0.23 1 576 . 72 ALA CA C 52.71 0.23 1 577 . 72 ALA CB C 18.80 0.23 1 578 . 72 ALA N N 124.46 0.16 1 579 . 73 GLY H H 8.29 0.03 1 580 . 73 GLY HA2 H 3.91 0.03 2 581 . 73 GLY C C 174.06 0.23 1 582 . 73 GLY CA C 45.30 0.23 1 583 . 73 GLY N N 108.02 0.16 1 584 . 74 ALA H H 8.01 0.03 1 585 . 74 ALA HA H 4.30 0.03 1 586 . 74 ALA HB H 1.36 0.03 1 587 . 74 ALA C C 177.98 0.23 1 588 . 74 ALA CA C 52.70 0.23 1 589 . 74 ALA CB C 19.10 0.23 1 590 . 74 ALA N N 123.406 0.16 1 591 . 75 SER H H 8.28 0.03 1 592 . 75 SER HA H 4.36 0.03 1 593 . 75 SER HB2 H 3.85 0.03 2 594 . 75 SER HB3 H 3.80 0.03 2 595 . 75 SER C C 174.82 0.23 1 596 . 75 SER CA C 58.27 0.23 1 597 . 75 SER CB C 63.35 0.23 1 598 . 75 SER N N 114.691 0.16 1 599 . 76 GLN H H 8.31 0.03 1 600 . 76 GLN HA H 4.23 0.03 1 601 . 76 GLN HB2 H 2.02 0.03 2 602 . 76 GLN HB3 H 1.89 0.03 2 603 . 76 GLN HG2 H 2.21 0.03 2 604 . 76 GLN C C 175.77 0.23 1 605 . 76 GLN CA C 56.18 0.23 1 606 . 76 GLN CB C 28.95 0.23 1 607 . 76 GLN CG C 33.51 0.23 4 608 . 76 GLN N N 121.59 0.16 1 609 . 77 PHE H H 8.04 0.03 1 610 . 77 PHE HA H 4.55 0.03 1 611 . 77 PHE HB2 H 3.14 0.03 2 612 . 77 PHE HB3 H 2.94 0.03 2 613 . 77 PHE C C 175.75 0.23 1 614 . 77 PHE CA C 57.65 0.23 1 615 . 77 PHE CB C 39.27 0.23 1 616 . 77 PHE N N 119.667 0.16 1 617 . 78 GLU H H 8.14 0.03 1 618 . 78 GLU HA H 4.27 0.03 1 619 . 78 GLU HB2 H 2.03 0.03 2 620 . 78 GLU HB3 H 1.92 0.03 2 621 . 78 GLU HG2 H 2.21 0.03 2 622 . 78 GLU C C 176.67 0.23 1 623 . 78 GLU CA C 56.60 0.23 1 624 . 78 GLU CB C 30.41 0.23 1 625 . 78 GLU CG C 36.25 0.23 4 626 . 78 GLU N N 121.575 0.16 1 627 . 79 THR H H 8.09 0.03 1 628 . 79 THR HA H 4.28 0.03 1 629 . 79 THR HB H 4.37 0.03 1 630 . 79 THR HG2 H 1.20 0.03 2 631 . 79 THR C C 175.09 0.23 1 632 . 79 THR CA C 61.88 0.23 1 633 . 79 THR CB C 69.48 0.23 1 634 . 79 THR CG2 C 21.74 0.23 1 635 . 79 THR N N 114.311 0.16 1 636 . 80 SER H H 8.40 0.03 1 637 . 80 SER HA H 4.27 0.03 1 638 . 80 SER HB2 H 3.91 0.03 2 639 . 80 SER C C 175.28 0.23 1 640 . 80 SER CA C 59.43 0.23 1 641 . 80 SER CB C 62.99 0.23 1 642 . 80 SER N N 117.514 0.16 1 643 . 81 ALA H H 8.25 0.03 1 644 . 81 ALA HA H 4.12 0.03 1 645 . 81 ALA HB H 1.33 0.03 1 646 . 81 ALA C C 178.71 0.23 1 647 . 81 ALA CA C 53.52 0.23 1 648 . 81 ALA CB C 18.45 0.23 1 649 . 81 ALA N N 124.82 0.16 1 650 . 82 ALA H H 7.96 0.03 1 651 . 82 ALA HA H 4.08 0.03 1 652 . 82 ALA HB H 1.38 0.03 1 653 . 82 ALA C C 179.04 0.23 1 654 . 82 ALA CA C 53.63 0.23 1 655 . 82 ALA CB C 18.60 0.23 1 656 . 82 ALA N N 121.283 0.16 1 657 . 83 LYS H H 7.90 0.03 1 658 . 83 LYS HA H 4.05 0.03 1 659 . 83 LYS HB2 H 1.76 0.03 2 660 . 83 LYS C C 177.59 0.23 1 661 . 83 LYS CA C 57.50 0.23 1 662 . 83 LYS CB C 32.44 0.23 1 663 . 83 LYS CG C 25.19 0.23 4 664 . 83 LYS CD C 29.21 0.23 4 665 . 83 LYS N N 118.468 0.16 1 666 . 84 LEU H H 7.82 0.03 1 667 . 84 LEU HA H 4.17 0.03 1 668 . 84 LEU HB2 H 1.66 0.03 2 669 . 84 LEU HB3 H 1.54 0.03 2 670 . 84 LEU C C 177.75 0.23 1 671 . 84 LEU CA C 55.75 0.23 1 672 . 84 LEU CB C 41.99 0.23 1 673 . 84 LEU CG C 26.97 0.23 1 674 . 84 LEU CD1 C 24.90 0.23 2 675 . 84 LEU CD2 C 23.40 0.23 2 676 . 84 LEU N N 120.512 0.16 1 677 . 85 LYS H H 7.89 0.03 1 678 . 85 LYS HA H 4.12 0.03 1 679 . 85 LYS HB2 H 1.73 0.03 4 680 . 85 LYS C C 176.94 0.23 1 681 . 85 LYS CA C 57.00 0.23 1 682 . 85 LYS CB C 32.47 0.23 1 683 . 85 LYS CG C 24.90 0.23 4 684 . 85 LYS CD C 29.10 0.23 4 685 . 85 LYS N N 119.976 0.16 1 686 . 86 ARG H H 7.87 0.03 1 687 . 86 ARG HA H 4.07 0.03 1 688 . 86 ARG HB2 H 1.70 0.03 4 689 . 86 ARG C C 176.38 0.23 1 690 . 86 ARG CA C 56.60 0.23 1 691 . 86 ARG CB C 30.42 0.23 1 692 . 86 ARG CG C 27.13 0.23 1 693 . 86 ARG CD C 43.22 0.23 1 694 . 86 ARG N N 119.976 0.16 1 695 . 87 LYS H H 7.95 0.03 1 696 . 87 LYS HA H 4.05 0.03 1 697 . 87 LYS HB2 H 1.51 0.03 4 698 . 87 LYS C C 176.64 0.23 1 699 . 87 LYS CA C 56.78 0.23 1 700 . 87 LYS CB C 32.67 0.23 1 701 . 87 LYS CG C 24.77 0.23 4 702 . 87 LYS CD C 29.12 0.23 4 703 . 87 LYS N N 120.758 0.16 1 704 . 88 TYR H H 7.94 0.03 1 705 . 88 TYR HA H 4.15 0.03 1 706 . 88 TYR HB2 H 2.65 0.03 2 707 . 88 TYR C C 175.98 0.23 1 708 . 88 TYR CA C 57.05 0.23 1 709 . 88 TYR CB C 37.67 0.23 1 710 . 88 TYR N N 118.569 0.16 1 711 . 89 TRP H H 7.65 0.03 1 712 . 89 TRP HA H 4.41 0.03 1 713 . 89 TRP HB2 H 3.23 0.03 2 714 . 89 TRP C C 176.09 0.23 1 715 . 89 TRP CA C 57.55 0.23 1 716 . 89 TRP CB C 29.13 0.23 1 717 . 89 TRP N N 120.947 0.16 1 718 . 90 TRP H H 7.23 0.03 1 719 . 90 TRP HA H 4.31 0.03 1 720 . 90 TRP HB2 H 3.06 0.03 2 721 . 90 TRP HB3 H 2.64 0.03 2 722 . 90 TRP C C 176.04 0.23 1 723 . 90 TRP CA C 57.39 0.23 1 724 . 90 TRP CB C 28.52 0.23 1 725 . 90 TRP N N 120.323 0.16 1 726 . 91 LYS H H 7.49 0.03 1 727 . 91 LYS HA H 3.99 0.03 1 728 . 91 LYS HB2 H 1.41 0.03 4 729 . 91 LYS C C 175.94 0.23 1 730 . 91 LYS CA C 56.77 0.23 1 731 . 91 LYS CB C 32.60 0.23 1 732 . 91 LYS CG C 24.80 0.23 1 733 . 91 LYS CD C 29.23 0.23 1 734 . 91 LYS N N 121.173 0.16 1 735 . 92 ASN H H 8.02 0.03 1 736 . 92 ASN HA H 4.57 0.03 1 737 . 92 ASN HB2 H 2.80 0.03 2 738 . 92 ASN HB3 H 2.61 0.03 2 739 . 92 ASN C C 174.90 0.23 1 740 . 92 ASN CA C 52.99 0.23 1 741 . 92 ASN CB C 38.55 0.23 1 742 . 92 ASN N N 118.024 0.16 1 743 . 93 LEU H H 7.92 0.03 1 744 . 93 LEU HA H 4.22 0.03 1 745 . 93 LEU HB2 H 1.57 0.03 2 746 . 93 LEU HB3 H 1.54 0.03 2 747 . 93 LEU C C 177.01 0.23 1 748 . 93 LEU CA C 55.15 0.23 1 749 . 93 LEU CB C 42.26 0.23 1 750 . 93 LEU CG C 26.80 0.23 4 751 . 93 LEU CD1 C 25.00 0.23 2 752 . 93 LEU CD2 C 23.30 0.23 2 753 . 93 LEU N N 121.84 0.16 1 754 . 94 LYS H H 8.17 0.03 1 755 . 94 LYS HA H 4.22 0.03 1 756 . 94 LYS HB2 H 1.57 0.03 2 757 . 94 LYS C C 176.11 0.23 1 758 . 94 LYS CA C 55.60 0.23 1 759 . 94 LYS CB C 32.72 0.23 1 760 . 94 LYS CG C 24.67 0.23 4 761 . 94 LYS N N 121.25 0.16 1 762 . 95 MET H H 8.18 0.03 1 763 . 95 MET HA H 4.41 0.03 1 764 . 95 MET HB2 H 2.05 0.03 2 765 . 95 MET HB3 H 1.92 0.03 2 766 . 95 MET HG2 H 2.51 0.03 2 767 . 95 MET C C 175.00 0.23 1 768 . 95 MET CA C 54.81 0.23 1 769 . 95 MET CB C 32.82 0.23 1 770 . 95 MET N N 121.621 0.16 1 771 . 96 MET H H 7.82 0.03 1 772 . 96 MET HA H 4.22 0.03 1 773 . 96 MET HB2 H 2.04 0.03 2 774 . 96 MET HB3 H 1.89 0.03 2 775 . 96 MET HG2 H 2.44 0.03 2 776 . 96 MET CA C 56.76 0.23 1 777 . 96 MET CB C 33.75 0.23 1 778 . 96 MET N N 126.208 0.16 1 stop_ save_