data_4560 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C and 15N signals of a recombinant effector protein (T4MOD) in Toluene-4-monooxygenase complex ; _BMRB_accession_number 4560 _BMRB_flat_file_name bmr4560.str _Entry_type original _Submission_date 1999-12-13 _Accession_date 1999-12-14 _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 Hemmi Hikaru . . 2 Chae 'Young Kee' . . 3 Studts Joey M. . 4 Fox Brian G. . 5 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 602 "13C chemical shifts" 458 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-04-03 original author . stop_ _Original_release_date 2000-04-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of 1H, 13C and 15N signals of a recombinant effector protein (T4MOD) in Toluene-4-monooxygenase complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hemmi Hikaru . . 2 Chae Young K. . 3 Studts Joey M. . 4 Fox Brian G. . 5 Markley John L. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 16 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 359 _Page_last 360 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_system_T4MOD _Saveframe_category molecular_system _Mol_system_name T4MOD _Abbreviation_common T4MOD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label T4MOD $T4MOD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'an effector protein in Toluene-4-monooxygenase complex' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_T4MOD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common T4MOD _Abbreviation_common T4MOD _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; STLADQALHNNNVGPIIRAG DLVEPVIETAEIDNPGKEIT VEDRRAYVRIAAEGELILTR KTLEEQLGRPFNMQELEINL ASFAGQIQADEDQIRFYFDK TM ; loop_ _Residue_seq_code _Residue_label 1 SER 2 THR 3 LEU 4 ALA 5 ASP 6 GLN 7 ALA 8 LEU 9 HIS 10 ASN 11 ASN 12 ASN 13 VAL 14 GLY 15 PRO 16 ILE 17 ILE 18 ARG 19 ALA 20 GLY 21 ASP 22 LEU 23 VAL 24 GLU 25 PRO 26 VAL 27 ILE 28 GLU 29 THR 30 ALA 31 GLU 32 ILE 33 ASP 34 ASN 35 PRO 36 GLY 37 LYS 38 GLU 39 ILE 40 THR 41 VAL 42 GLU 43 ASP 44 ARG 45 ARG 46 ALA 47 TYR 48 VAL 49 ARG 50 ILE 51 ALA 52 ALA 53 GLU 54 GLY 55 GLU 56 LEU 57 ILE 58 LEU 59 THR 60 ARG 61 LYS 62 THR 63 LEU 64 GLU 65 GLU 66 GLN 67 LEU 68 GLY 69 ARG 70 PRO 71 PHE 72 ASN 73 MET 74 GLN 75 GLU 76 LEU 77 GLU 78 ILE 79 ASN 80 LEU 81 ALA 82 SER 83 PHE 84 ALA 85 GLY 86 GLN 87 ILE 88 GLN 89 ALA 90 ASP 91 GLU 92 ASP 93 GLN 94 ILE 95 ARG 96 PHE 97 TYR 98 PHE 99 ASP 100 LYS 101 THR 102 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1G10 "Toluene-4-Monooxygenase Catalytic Effector Protein Nmr Structure" 99.02 102 100.00 100.00 1.77e-65 PDB 1G11 "Toluene-4-Monooxygenase Catalytic Effector Protein Nmr Structure" 99.02 102 100.00 100.00 1.77e-65 PDB 2BF2 "Crystal Structure Of Native Toluene-4-Monooxygenase Catalytic Effector Protein, T4mod" 100.00 102 100.00 100.00 2.41e-66 PDB 2BF3 "Crystal Structure Of A Toluene 4-Monooxygenase Catalytic Effector Protein Variant Missing Ten N-Terminal Residues (Delta-N10 T4" 90.20 92 100.00 100.00 2.71e-58 PDB 2BF5 "Crystal Structure Of A Toluene 4-Monooxygenase Catalytic Effector Protein Variant Missing Four N-Terminal Residues (Delta-N4 T4" 96.08 98 100.00 100.00 2.24e-63 PDB 3DHH "Crystal Structure Of Resting State Toluene 4-monoxygenase Hydroxylase Complexed With Effector Protein" 100.00 103 100.00 100.00 2.30e-66 PDB 3DHI "Crystal Structure Of Reduced Toluene 4-monoxygenase Hydroxylase Complexed With Effector Protein" 100.00 103 100.00 100.00 2.30e-66 PDB 3GE3 "Crystal Structure Of The Reduced Toluene 4-monooxygenase Hd T201a Mutant Complex" 100.00 103 100.00 100.00 2.30e-66 PDB 3GE8 "Toluene 4-Monooxygenase Hd T201a Diferric, Resting State Complex" 100.00 103 100.00 100.00 2.30e-66 PDB 3I5J "Diferric Resting State Toluene 4-Monooxygenase Hd Complex" 100.00 103 100.00 100.00 2.30e-66 PDB 3I63 "Peroxide Bound Toluene 4-Monooxygenase" 100.00 103 100.00 100.00 2.30e-66 PDB 3Q14 "Toluene 4 Monooxygenase Hd Complex With P-Cresol" 100.00 103 100.00 100.00 2.30e-66 PDB 3Q2A "Toluene 4 Monooxygenase Hd Complex With Inhibitor P-Aminobenzoate" 100.00 103 100.00 100.00 2.30e-66 PDB 3Q3M "Toluene 4 Monooxygenase Hd Complex With Inhibitor 4-Bromobenzoate" 100.00 103 100.00 100.00 2.30e-66 PDB 3Q3N "Toluene 4 Monooxygenase Hd Complex With P-Nitrophenol" 100.00 103 100.00 100.00 2.30e-66 PDB 3Q3O "Toluene 4 Monooxygenase Hd Complex With Phenol" 100.00 103 100.00 100.00 2.30e-66 PDB 3RI7 "Toluene 4 Monooxygenase Hd Mutant G103l" 99.02 101 100.00 100.00 1.72e-65 GB AAA26002 "toluene-4-monooxygenase [Pseudomonas mendocina]" 100.00 103 100.00 100.00 2.30e-66 GB AAS66663 "effector [Pseudomonas mendocina]" 100.00 103 100.00 100.00 2.30e-66 GB AJO68018 "effector [Pseudomonas sp. M4(2015)]" 100.00 103 99.02 100.00 1.11e-65 SP Q00459 "RecName: Full=Toluene-4-monooxygenase system protein D; AltName: Full=T4mo effector protein D; Short=T4moD; AltName: Full=Tolue" 100.00 103 100.00 100.00 2.30e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $T4MOD 'Pseudomonas mendocina' 300 Eubacteria . Pseudomonas mendocina 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 $T4MOD '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 $T4MOD 1.1 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $T4MOD . mM 2.5 3.5 . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 95 loop_ _Task 'processing of NMR data' stop_ _Details . save_ save_Sparky _Saveframe_category software _Name Sparky _Version . loop_ _Task assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_CCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCONH' _Sample_label . save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HCCONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCONH' _Sample_label . save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label . save_ save_3D_CT-13C-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CT-13C-HSQC' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_3D_13C-1H-1H_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _Sample_label . save_ save_3D_15N_TOCSY-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CT-13C-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 n/a temperature 298 0.1 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name T4MOD _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 . 2 THR HA H 4.48 . 1 2 . 2 THR HB H 4.30 . 1 3 . 2 THR HG2 H 1.27 . 1 4 . 2 THR C C 174.73 . 1 5 . 2 THR CA C 61.97 . 1 6 . 2 THR CB C 70.02 . 1 7 . 2 THR CG2 C 21.65 . 1 8 . 3 LEU H H 8.44 . 1 9 . 3 LEU HA H 4.34 . 1 10 . 3 LEU HB2 H 1.66 . 1 11 . 3 LEU HB3 H 1.66 . 1 12 . 3 LEU HG H 1.68 . 1 13 . 3 LEU HD1 H 0.94 . 1 14 . 3 LEU HD2 H 0.94 . 1 15 . 3 LEU C C 177.63 . 1 16 . 3 LEU CA C 55.77 . 1 17 . 3 LEU CB C 42.19 . 1 18 . 3 LEU CG C 27.09 . 1 19 . 3 LEU CD1 C 23.56 . 2 20 . 3 LEU CD2 C 24.82 . 2 21 . 3 LEU N N 125.75 . 1 22 . 4 ALA H H 8.28 . 1 23 . 4 ALA HA H 4.30 . 1 24 . 4 ALA HB H 1.43 . 1 25 . 4 ALA C C 177.93 . 1 26 . 4 ALA CA C 53.08 . 1 27 . 4 ALA CB C 19.09 . 1 28 . 4 ALA N N 125.35 . 1 29 . 5 ASP H H 8.17 . 1 30 . 5 ASP HA H 4.56 . 1 31 . 5 ASP HB2 H 2.74 . 1 32 . 5 ASP HB3 H 2.74 . 1 33 . 5 ASP C C 176.93 . 1 34 . 5 ASP CA C 54.92 . 1 35 . 5 ASP CB C 41.16 . 1 36 . 5 ASP N N 120.15 . 1 37 . 6 GLN H H 8.21 . 1 38 . 6 GLN HA H 4.27 . 1 39 . 6 GLN HB2 H 2.05 . 2 40 . 6 GLN HB3 H 2.18 . 2 41 . 6 GLN HG2 H 2.43 . 1 42 . 6 GLN HG3 H 2.43 . 1 43 . 6 GLN HE21 H 6.79 . 2 44 . 6 GLN HE22 H 7.25 . 2 45 . 6 GLN C C 176.13 . 1 46 . 6 GLN CA C 56.41 . 1 47 . 6 GLN CB C 29.25 . 1 48 . 6 GLN CG C 33.95 . 1 49 . 6 GLN CD C 180.43 . 1 50 . 6 GLN N N 121.35 . 1 51 . 6 GLN NE2 N 112.15 . 1 52 . 7 ALA H H 8.19 . 1 53 . 7 ALA HA H 4.28 . 1 54 . 7 ALA HB H 1.41 . 1 55 . 7 ALA C C 177.83 . 1 56 . 7 ALA CA C 52.85 . 1 57 . 7 ALA CB C 19.02 . 1 58 . 7 ALA N N 124.75 . 1 59 . 8 LEU H H 7.98 . 1 60 . 8 LEU HA H 4.28 . 1 61 . 8 LEU HB2 H 1.47 . 2 62 . 8 LEU HB3 H 1.60 . 2 63 . 8 LEU HG H 1.58 . 1 64 . 8 LEU HD1 H 0.87 . 2 65 . 8 LEU HD2 H 0.94 . 2 66 . 8 LEU C C 177.33 . 1 67 . 8 LEU CA C 55.33 . 1 68 . 8 LEU CB C 42.24 . 1 69 . 8 LEU CG C 26.93 . 1 70 . 8 LEU CD1 C 23.42 . 2 71 . 8 LEU CD2 C 24.92 . 2 72 . 8 LEU N N 121.05 . 1 73 . 9 HIS H H 8.20 . 1 74 . 9 HIS HA H 4.69 . 1 75 . 9 HIS HB2 H 3.10 . 2 76 . 9 HIS HB3 H 3.23 . 2 77 . 9 HIS HD2 H 7.12 . 1 78 . 9 HIS HE1 H 8.14 . 1 79 . 9 HIS CA C 55.51 . 1 80 . 9 HIS CB C 30.02 . 1 81 . 9 HIS CD2 C 133.33 . 1 82 . 9 HIS CE1 C 137.73 . 1 83 . 9 HIS N N 119.85 . 1 84 . 10 ASN HA H 4.65 . 1 85 . 10 ASN HB2 H 2.65 . 2 86 . 10 ASN HB3 H 2.71 . 2 87 . 10 ASN HD21 H 6.90 . 2 88 . 10 ASN HD22 H 7.63 . 2 89 . 10 ASN C C 174.63 . 1 90 . 10 ASN CA C 53.37 . 1 91 . 10 ASN CB C 38.85 . 1 92 . 10 ASN CG C 176.93 . 1 93 . 10 ASN ND2 N 113.75 . 1 94 . 11 ASN H H 8.42 . 1 95 . 11 ASN HA H 4.26 . 1 96 . 11 ASN HB2 H 2.17 . 2 97 . 11 ASN HB3 H 2.48 . 2 98 . 11 ASN HD21 H 6.79 . 2 99 . 11 ASN HD22 H 7.25 . 2 100 . 11 ASN C C 174.73 . 1 101 . 11 ASN CA C 52.58 . 1 102 . 11 ASN CB C 37.60 . 1 103 . 11 ASN CG C 176.93 . 1 104 . 11 ASN N N 120.45 . 1 105 . 11 ASN ND2 N 112.25 . 1 106 . 12 ASN H H 7.98 . 1 107 . 12 ASN HA H 4.98 . 1 108 . 12 ASN HB2 H 2.29 . 2 109 . 12 ASN HB3 H 2.76 . 2 110 . 12 ASN HD21 H 6.87 . 2 111 . 12 ASN HD22 H 7.20 . 2 112 . 12 ASN C C 175.33 . 1 113 . 12 ASN CA C 53.49 . 1 114 . 12 ASN CB C 39.00 . 1 115 . 12 ASN CG C 176.03 . 1 116 . 12 ASN N N 120.43 . 1 117 . 12 ASN ND2 N 112.13 . 1 118 . 13 VAL H H 9.15 . 1 119 . 13 VAL HA H 4.60 . 1 120 . 13 VAL HB H 2.29 . 1 121 . 13 VAL HG1 H 0.84 . 1 122 . 13 VAL HG2 H 0.73 . 1 123 . 13 VAL C C 173.73 . 1 124 . 13 VAL CA C 59.25 . 1 125 . 13 VAL CB C 35.21 . 1 126 . 13 VAL CG1 C 22.54 . 1 127 . 13 VAL CG2 C 17.79 . 1 128 . 13 VAL N N 116.75 . 1 129 . 14 GLY H H 8.23 . 1 130 . 14 GLY HA2 H 3.86 . 2 131 . 14 GLY HA3 H 4.60 . 2 132 . 14 GLY CA C 44.58 . 1 133 . 14 GLY N N 104.45 . 1 134 . 15 PRO HA H 4.38 . 1 135 . 15 PRO HB2 H 1.82 . 2 136 . 15 PRO HB3 H 1.94 . 2 137 . 15 PRO HG2 H 1.60 . 2 138 . 15 PRO HG3 H 1.82 . 2 139 . 15 PRO HD2 H 3.60 . 1 140 . 15 PRO HD3 H 3.60 . 1 141 . 15 PRO C C 173.43 . 1 142 . 15 PRO CA C 62.33 . 1 143 . 15 PRO CB C 34.29 . 1 144 . 15 PRO CG C 25.46 . 1 145 . 15 PRO CD C 49.10 . 1 146 . 16 ILE H H 8.06 . 1 147 . 16 ILE HA H 4.82 . 1 148 . 16 ILE HB H 1.62 . 1 149 . 16 ILE HG12 H 0.80 . 2 150 . 16 ILE HG13 H 1.43 . 2 151 . 16 ILE HG2 H 0.61 . 1 152 . 16 ILE HD1 H 0.66 . 1 153 . 16 ILE C C 175.33 . 1 154 . 16 ILE CA C 61.67 . 1 155 . 16 ILE CB C 37.32 . 1 156 . 16 ILE CG1 C 28.74 . 1 157 . 16 ILE CG2 C 19.27 . 1 158 . 16 ILE CD1 C 13.46 . 1 159 . 16 ILE N N 119.85 . 1 160 . 17 ILE H H 9.00 . 1 161 . 17 ILE HA H 5.03 . 1 162 . 17 ILE HB H 1.83 . 1 163 . 17 ILE HG12 H 1.38 . 2 164 . 17 ILE HG13 H 1.53 . 2 165 . 17 ILE HG2 H 1.08 . 1 166 . 17 ILE HD1 H 0.81 . 1 167 . 17 ILE C C 175.53 . 1 168 . 17 ILE CA C 58.49 . 1 169 . 17 ILE CB C 40.82 . 1 170 . 17 ILE CG1 C 27.41 . 1 171 . 17 ILE CG2 C 17.30 . 1 172 . 17 ILE CD1 C 13.48 . 1 173 . 17 ILE N N 126.65 . 1 174 . 18 ARG H H 8.71 . 1 175 . 18 ARG HA H 4.29 . 1 176 . 18 ARG HB2 H 1.99 . 1 177 . 18 ARG HB3 H 1.99 . 1 178 . 18 ARG HG2 H 1.85 . 1 179 . 18 ARG HG3 H 1.85 . 1 180 . 18 ARG HD2 H 3.38 . 1 181 . 18 ARG HD3 H 3.38 . 1 182 . 18 ARG HE H 7.76 . 1 183 . 18 ARG C C 174.63 . 1 184 . 18 ARG CA C 57.61 . 1 185 . 18 ARG CB C 36.87 . 1 186 . 18 ARG CG C 28.49 . 1 187 . 18 ARG CD C 43.50 . 1 188 . 18 ARG CZ C 158.85 . 1 189 . 18 ARG N N 126.05 . 1 190 . 18 ARG NE N 85.02 . 1 191 . 19 ALA H H 7.52 . 1 192 . 19 ALA HA H 4.01 . 1 193 . 19 ALA HB H 1.31 . 1 194 . 19 ALA C C 177.03 . 1 195 . 19 ALA CA C 53.20 . 1 196 . 19 ALA CB C 18.48 . 1 197 . 19 ALA N N 124.45 . 1 198 . 20 GLY H H 7.89 . 1 199 . 20 GLY HA2 H 3.86 . 2 200 . 20 GLY HA3 H 4.60 . 2 201 . 20 GLY C C 174.83 . 1 202 . 20 GLY CA C 45.26 . 1 203 . 20 GLY N N 110.65 . 1 204 . 21 ASP H H 8.65 . 1 205 . 21 ASP HA H 4.39 . 1 206 . 21 ASP HB2 H 2.71 . 2 207 . 21 ASP HB3 H 2.78 . 2 208 . 21 ASP C C 176.75 . 1 209 . 21 ASP CA C 56.46 . 1 210 . 21 ASP CB C 40.90 . 1 211 . 21 ASP N N 120.45 . 1 212 . 22 LEU H H 8.37 . 1 213 . 22 LEU HA H 4.39 . 1 214 . 22 LEU HB2 H 1.79 . 1 215 . 22 LEU HB3 H 1.59 . 1 216 . 22 LEU HG H 1.84 . 1 217 . 22 LEU HD1 H 0.90 . 2 218 . 22 LEU HD2 H 0.98 . 2 219 . 22 LEU C C 177.33 . 1 220 . 22 LEU CA C 55.10 . 1 221 . 22 LEU CB C 42.58 . 1 222 . 22 LEU CG C 27.59 . 1 223 . 22 LEU CD1 C 24.14 . 2 224 . 22 LEU CD2 C 25.20 . 2 225 . 22 LEU N N 118.65 . 1 226 . 23 VAL H H 7.23 . 1 227 . 23 VAL HA H 3.27 . 1 228 . 23 VAL HB H 2.23 . 1 229 . 23 VAL HG1 H 0.97 . 1 230 . 23 VAL HG2 H 1.13 . 1 231 . 23 VAL C C 176.53 . 1 232 . 23 VAL CA C 68.79 . 1 233 . 23 VAL CB C 31.80 . 1 234 . 23 VAL CG1 C 22.02 . 1 235 . 23 VAL CG2 C 24.15 . 1 236 . 23 VAL N N 118.95 . 1 237 . 24 GLU H H 8.82 . 1 238 . 24 GLU HA H 4.22 . 1 239 . 24 GLU HB2 H 2.16 . 1 240 . 24 GLU HB3 H 2.16 . 1 241 . 24 GLU HG2 H 2.32 . 2 242 . 24 GLU HG3 H 2.42 . 2 243 . 24 GLU CA C 61.63 . 1 244 . 24 GLU CB C 26.50 . 1 245 . 24 GLU CG C 36.64 . 1 246 . 24 GLU N N 118.02 . 1 247 . 25 PRO HA H 4.42 . 1 248 . 25 PRO HB2 H 1.59 . 2 249 . 25 PRO HB3 H 2.00 . 2 250 . 25 PRO HG2 H 2.07 . 2 251 . 25 PRO HG3 H 2.23 . 2 252 . 25 PRO HD2 H 3.63 . 2 253 . 25 PRO HD3 H 3.77 . 2 254 . 25 PRO C C 179.73 . 1 255 . 25 PRO CA C 66.28 . 1 256 . 25 PRO CB C 31.23 . 1 257 . 25 PRO CG C 28.23 . 1 258 . 25 PRO CD C 49.71 . 1 259 . 26 VAL H H 8.09 . 1 260 . 26 VAL HA H 3.54 . 1 261 . 26 VAL HB H 2.34 . 1 262 . 26 VAL HG1 H 0.87 . 1 263 . 26 VAL HG2 H 1.01 . 1 264 . 26 VAL C C 176.73 . 1 265 . 26 VAL CA C 67.87 . 1 266 . 26 VAL CB C 30.32 . 1 267 . 26 VAL CG1 C 22.36 . 1 268 . 26 VAL CG2 C 25.34 . 1 269 . 26 VAL N N 122.05 . 1 270 . 27 ILE H H 8.52 . 1 271 . 27 ILE HA H 3.39 . 1 272 . 27 ILE HB H 2.00 . 1 273 . 27 ILE HG12 H 0.72 . 1 274 . 27 ILE HG13 H 0.72 . 1 275 . 27 ILE HG2 H 0.88 . 1 276 . 27 ILE HD1 H 0.86 . 1 277 . 27 ILE C C 178.03 . 1 278 . 27 ILE CA C 67.29 . 1 279 . 27 ILE CB C 38.30 . 1 280 . 27 ILE CG1 C 29.67 . 1 281 . 27 ILE CG2 C 16.62 . 1 282 . 27 ILE CD1 C 15.66 . 1 283 . 27 ILE N N 124.15 . 1 284 . 28 GLU H H 8.24 . 1 285 . 28 GLU HA H 4.05 . 1 286 . 28 GLU HB2 H 1.96 . 1 287 . 28 GLU HB3 H 2.09 . 1 288 . 28 GLU HG2 H 2.36 . 2 289 . 28 GLU HG3 H 2.48 . 2 290 . 28 GLU C C 179.73 . 1 291 . 28 GLU CA C 59.05 . 1 292 . 28 GLU CB C 29.47 . 1 293 . 28 GLU CG C 35.55 . 1 294 . 28 GLU N N 117.75 . 1 295 . 29 THR H H 8.11 . 1 296 . 29 THR HA H 3.81 . 1 297 . 29 THR HB H 4.28 . 1 298 . 29 THR HG2 H 1.34 . 1 299 . 29 THR C C 175.23 . 1 300 . 29 THR CA C 67.18 . 1 301 . 29 THR CB C 66.87 . 1 302 . 29 THR CG2 C 21.88 . 1 303 . 29 THR N N 117.35 . 1 304 . 30 ALA H H 8.87 . 1 305 . 30 ALA HA H 3.86 . 1 306 . 30 ALA HB H 1.51 . 1 307 . 30 ALA C C 179.93 . 1 308 . 30 ALA CA C 54.83 . 1 309 . 30 ALA CB C 17.63 . 1 310 . 30 ALA N N 124.75 . 1 311 . 31 GLU H H 7.93 . 1 312 . 31 GLU HA H 4.16 . 1 313 . 31 GLU HB2 H 2.32 . 1 314 . 31 GLU HB3 H 2.10 . 1 315 . 31 GLU HG2 H 2.24 . 2 316 . 31 GLU HG3 H 2.60 . 2 317 . 31 GLU C C 179.53 . 1 318 . 31 GLU CA C 59.30 . 1 319 . 31 GLU CB C 29.63 . 1 320 . 31 GLU CG C 36.36 . 1 321 . 31 GLU N N 117.05 . 1 322 . 32 ILE H H 8.09 . 1 323 . 32 ILE HA H 3.66 . 1 324 . 32 ILE HB H 1.77 . 1 325 . 32 ILE HG12 H 1.85 . 1 326 . 32 ILE HG13 H 1.85 . 1 327 . 32 ILE HG2 H 1.02 . 1 328 . 32 ILE HD1 H 0.81 . 1 329 . 32 ILE C C 178.33 . 1 330 . 32 ILE CA C 64.98 . 1 331 . 32 ILE CB C 39.45 . 1 332 . 32 ILE CG1 C 29.68 . 1 333 . 32 ILE CG2 C 17.32 . 1 334 . 32 ILE CD1 C 14.29 . 1 335 . 32 ILE N N 121.75 . 1 336 . 33 ASP H H 9.07 . 1 337 . 33 ASP HA H 4.73 . 1 338 . 33 ASP HB2 H 3.00 . 1 339 . 33 ASP HB3 H 2.75 . 1 340 . 33 ASP C C 175.63 . 1 341 . 33 ASP CA C 55.55 . 1 342 . 33 ASP CB C 40.99 . 1 343 . 33 ASP N N 117.35 . 1 344 . 34 ASN H H 7.04 . 1 345 . 34 ASN HA H 5.33 . 1 346 . 34 ASN HB2 H 2.29 . 1 347 . 34 ASN HB3 H 3.10 . 1 348 . 34 ASN HD21 H 9.30 . 2 349 . 34 ASN HD22 H 9.50 . 2 350 . 34 ASN CA C 51.23 . 1 351 . 34 ASN CB C 39.65 . 1 352 . 34 ASN CG C 179.43 . 1 353 . 34 ASN N N 116.75 . 1 354 . 34 ASN ND2 N 122.05 . 1 355 . 35 PRO HA H 4.56 . 1 356 . 35 PRO HB2 H 2.08 . 2 357 . 35 PRO HB3 H 2.39 . 2 358 . 35 PRO HG2 H 2.11 . 1 359 . 35 PRO HG3 H 2.11 . 1 360 . 35 PRO HD2 H 3.63 . 1 361 . 35 PRO HD3 H 3.63 . 1 362 . 35 PRO C C 178.73 . 1 363 . 35 PRO CA C 63.98 . 1 364 . 35 PRO CB C 31.80 . 1 365 . 35 PRO CG C 27.56 . 1 366 . 35 PRO CD C 50.49 . 1 367 . 36 GLY H H 8.97 . 1 368 . 36 GLY HA2 H 3.93 . 2 369 . 36 GLY HA3 H 4.13 . 2 370 . 36 GLY C C 173.93 . 1 371 . 36 GLY CA C 45.54 . 1 372 . 36 GLY N N 111.55 . 1 373 . 37 LYS H H 7.68 . 1 374 . 37 LYS HA H 4.70 . 1 375 . 37 LYS HB2 H 1.90 . 1 376 . 37 LYS HB3 H 1.90 . 1 377 . 37 LYS HG2 H 1.47 . 2 378 . 37 LYS HG3 H 1.58 . 2 379 . 37 LYS HD2 H 1.88 . 2 380 . 37 LYS HD3 H 1.96 . 2 381 . 37 LYS HE2 H 3.33 . 1 382 . 37 LYS HE3 H 3.33 . 1 383 . 37 LYS C C 175.53 . 1 384 . 37 LYS CA C 54.37 . 1 385 . 37 LYS CB C 33.86 . 1 386 . 37 LYS CG C 24.61 . 1 387 . 37 LYS CD C 29.38 . 1 388 . 37 LYS CE C 42.56 . 1 389 . 37 LYS N N 120.15 . 1 390 . 38 GLU H H 8.30 . 1 391 . 38 GLU HA H 4.43 . 1 392 . 38 GLU HB2 H 2.02 . 2 393 . 38 GLU HB3 H 2.30 . 2 394 . 38 GLU HG2 H 2.21 . 2 395 . 38 GLU HG3 H 2.30 . 2 396 . 38 GLU C C 176.03 . 1 397 . 38 GLU CA C 56.20 . 1 398 . 38 GLU CB C 29.96 . 1 399 . 38 GLU CG C 36.22 . 1 400 . 38 GLU N N 123.25 . 1 401 . 39 ILE H H 8.98 . 1 402 . 39 ILE HA H 4.80 . 1 403 . 39 ILE HB H 2.15 . 1 404 . 39 ILE HG12 H 1.19 . 2 405 . 39 ILE HG13 H 1.76 . 2 406 . 39 ILE HG2 H 0.80 . 1 407 . 39 ILE HD1 H 0.73 . 1 408 . 39 ILE C C 176.93 . 1 409 . 39 ILE CA C 58.26 . 1 410 . 39 ILE CB C 36.73 . 1 411 . 39 ILE CG1 C 27.07 . 1 412 . 39 ILE CG2 C 17.72 . 1 413 . 39 ILE CD1 C 10.49 . 1 414 . 39 ILE N N 130.35 . 1 415 . 40 THR H H 9.49 . 1 416 . 40 THR HA H 4.47 . 1 417 . 40 THR HB H 3.94 . 1 418 . 40 THR HG2 H 1.11 . 1 419 . 40 THR C C 172.93 . 1 420 . 40 THR CA C 62.25 . 1 421 . 40 THR CB C 70.24 . 1 422 . 40 THR CG2 C 21.03 . 1 423 . 40 THR N N 126.35 . 1 424 . 41 VAL H H 8.53 . 1 425 . 41 VAL HA H 4.85 . 1 426 . 41 VAL HB H 1.95 . 1 427 . 41 VAL HG1 H 0.80 . 1 428 . 41 VAL HG2 H 0.93 . 1 429 . 41 VAL C C 175.73 . 1 430 . 41 VAL CA C 61.08 . 1 431 . 41 VAL CB C 34.29 . 1 432 . 41 VAL CG1 C 21.57 . 1 433 . 41 VAL CG2 C 21.57 . 1 434 . 41 VAL N N 127.25 . 1 435 . 42 GLU H H 9.27 . 1 436 . 42 GLU HA H 4.69 . 1 437 . 42 GLU HB2 H 2.04 . 1 438 . 42 GLU HB3 H 1.86 . 1 439 . 42 GLU HG2 H 1.97 . 2 440 . 42 GLU HG3 H 2.27 . 2 441 . 42 GLU C C 174.13 . 1 442 . 42 GLU CA C 54.48 . 1 443 . 42 GLU CB C 32.49 . 1 444 . 42 GLU CG C 36.15 . 1 445 . 42 GLU N N 130.05 . 1 446 . 43 ASP H H 9.14 . 1 447 . 43 ASP HA H 4.69 . 1 448 . 43 ASP HB2 H 2.98 . 1 449 . 43 ASP HB3 H 2.53 . 1 450 . 43 ASP C C 176.33 . 1 451 . 43 ASP CA C 54.58 . 1 452 . 43 ASP CB C 41.21 . 1 453 . 43 ASP N N 128.75 . 1 454 . 44 ARG H H 8.50 . 1 455 . 44 ARG HA H 4.71 . 1 456 . 44 ARG HB2 H 2.03 . 1 457 . 44 ARG HB3 H 1.20 . 1 458 . 44 ARG HG2 H 1.58 . 1 459 . 44 ARG HG3 H 1.58 . 1 460 . 44 ARG HD2 H 3.07 . 2 461 . 44 ARG HD3 H 3.21 . 2 462 . 44 ARG C C 177.33 . 1 463 . 44 ARG CA C 54.39 . 1 464 . 44 ARG CB C 29.09 . 1 465 . 44 ARG CG C 26.73 . 1 466 . 44 ARG CD C 43.23 . 1 467 . 44 ARG N N 128.45 . 1 468 . 45 ARG H H 9.04 . 1 469 . 45 ARG HA H 3.80 . 1 470 . 45 ARG HB2 H 2.24 . 1 471 . 45 ARG HB3 H 2.12 . 1 472 . 45 ARG HG2 H 1.58 . 2 473 . 45 ARG HG3 H 1.62 . 2 474 . 45 ARG HD2 H 3.24 . 1 475 . 45 ARG HD3 H 3.24 . 1 476 . 45 ARG C C 176.33 . 1 477 . 45 ARG CA C 60.99 . 1 478 . 45 ARG CB C 27.55 . 1 479 . 45 ARG CG C 27.13 . 1 480 . 45 ARG CD C 43.04 . 1 481 . 45 ARG N N 118.35 . 1 482 . 46 ALA H H 8.38 . 1 483 . 46 ALA HA H 4.18 . 1 484 . 46 ALA HB H 1.34 . 1 485 . 46 ALA C C 176.93 . 1 486 . 46 ALA CA C 53.72 . 1 487 . 46 ALA CB C 19.44 . 1 488 . 46 ALA N N 125.05 . 1 489 . 47 TYR H H 7.05 . 1 490 . 47 TYR HA H 5.18 . 1 491 . 47 TYR HB2 H 2.50 . 1 492 . 47 TYR HB3 H 2.94 . 1 493 . 47 TYR HD1 H 6.80 . 1 494 . 47 TYR HD2 H 6.80 . 1 495 . 47 TYR HE1 H 6.76 . 1 496 . 47 TYR HE2 H 6.76 . 1 497 . 47 TYR C C 173.03 . 1 498 . 47 TYR CA C 54.94 . 1 499 . 47 TYR CB C 41.55 . 1 500 . 47 TYR CD1 C 133.63 . 1 501 . 47 TYR CD2 C 133.63 . 1 502 . 47 TYR CE1 C 118.03 . 1 503 . 47 TYR CE2 C 118.03 . 1 504 . 47 TYR N N 113.65 . 1 505 . 48 VAL H H 9.32 . 1 506 . 48 VAL HA H 4.72 . 1 507 . 48 VAL HB H 1.83 . 1 508 . 48 VAL HG1 H 0.79 . 1 509 . 48 VAL HG2 H 0.96 . 1 510 . 48 VAL C C 174.13 . 1 511 . 48 VAL CA C 61.55 . 1 512 . 48 VAL CB C 35.08 . 1 513 . 48 VAL CG1 C 21.56 . 1 514 . 48 VAL CG2 C 21.56 . 1 515 . 48 VAL N N 121.05 . 1 516 . 49 ARG H H 9.00 . 1 517 . 49 ARG HA H 4.82 . 1 518 . 49 ARG HB2 H 1.50 . 2 519 . 49 ARG HB3 H 2.00 . 2 520 . 49 ARG HG2 H 1.15 . 2 521 . 49 ARG HG3 H 1.47 . 2 522 . 49 ARG HD2 H 3.03 . 2 523 . 49 ARG HD3 H 3.13 . 2 524 . 49 ARG HE H 7.39 . 1 525 . 49 ARG C C 174.03 . 1 526 . 49 ARG CA C 55.21 . 1 527 . 49 ARG CB C 33.01 . 1 528 . 49 ARG CG C 27.38 . 1 529 . 49 ARG CD C 43.52 . 1 530 . 49 ARG CZ C 159.53 . 1 531 . 49 ARG N N 129.45 . 1 532 . 49 ARG NE N 84.97 . 1 533 . 50 ILE H H 8.27 . 1 534 . 50 ILE HA H 4.86 . 1 535 . 50 ILE HB H 1.52 . 1 536 . 50 ILE HG12 H 0.96 . 1 537 . 50 ILE HG13 H 0.96 . 1 538 . 50 ILE HG2 H 0.71 . 1 539 . 50 ILE HD1 H 0.80 . 1 540 . 50 ILE C C 174.43 . 1 541 . 50 ILE CA C 60.54 . 1 542 . 50 ILE CB C 40.60 . 1 543 . 50 ILE CG1 C 28.69 . 1 544 . 50 ILE CG2 C 18.12 . 1 545 . 50 ILE CD1 C 16.20 . 1 546 . 50 ILE N N 129.75 . 1 547 . 51 ALA H H 8.99 . 1 548 . 51 ALA HA H 5.42 . 1 549 . 51 ALA HB H 0.99 . 1 550 . 51 ALA C C 174.93 . 1 551 . 51 ALA CA C 50.27 . 1 552 . 51 ALA CB C 23.83 . 1 553 . 51 ALA N N 129.15 . 1 554 . 52 ALA H H 8.71 . 1 555 . 52 ALA HA H 4.83 . 1 556 . 52 ALA HB H 1.48 . 1 557 . 52 ALA C C 175.93 . 1 558 . 52 ALA CA C 50.59 . 1 559 . 52 ALA CB C 24.10 . 1 560 . 52 ALA N N 120.15 . 1 561 . 53 GLU H H 9.07 . 1 562 . 53 GLU HA H 4.24 . 1 563 . 53 GLU HB2 H 2.05 . 1 564 . 53 GLU HB3 H 2.05 . 1 565 . 53 GLU HG2 H 2.19 . 2 566 . 53 GLU HG3 H 2.36 . 2 567 . 53 GLU C C 179.13 . 1 568 . 53 GLU CA C 57.47 . 1 569 . 53 GLU CB C 29.92 . 1 570 . 53 GLU CG C 36.47 . 1 571 . 53 GLU N N 121.75 . 1 572 . 54 GLY H H 9.04 . 1 573 . 54 GLY HA2 H 3.65 . 2 574 . 54 GLY HA3 H 4.59 . 2 575 . 54 GLY C C 174.23 . 1 576 . 54 GLY CA C 49.17 . 1 577 . 54 GLY N N 117.65 . 1 578 . 55 GLU H H 8.42 . 1 579 . 55 GLU HA H 5.31 . 1 580 . 55 GLU HB2 H 2.07 . 2 581 . 55 GLU HB3 H 2.24 . 2 582 . 55 GLU HG2 H 2.28 . 1 583 . 55 GLU HG3 H 2.28 . 1 584 . 55 GLU C C 173.03 . 1 585 . 55 GLU CA C 56.03 . 1 586 . 55 GLU CB C 33.74 . 1 587 . 55 GLU CG C 37.35 . 1 588 . 55 GLU N N 124.75 . 1 589 . 56 LEU H H 8.96 . 1 590 . 56 LEU HA H 4.56 . 1 591 . 56 LEU HB2 H 1.62 . 2 592 . 56 LEU HB3 H 1.75 . 2 593 . 56 LEU HG H 1.60 . 1 594 . 56 LEU HD1 H 0.83 . 2 595 . 56 LEU HD2 H 0.95 . 2 596 . 56 LEU C C 175.02 . 1 597 . 56 LEU CA C 55.76 . 1 598 . 56 LEU CB C 46.47 . 1 599 . 56 LEU CG C 28.19 . 1 600 . 56 LEU CD1 C 26.11 . 1 601 . 56 LEU CD2 C 26.11 . 1 602 . 56 LEU N N 125.15 . 1 603 . 57 ILE H H 9.88 . 1 604 . 57 ILE HA H 4.99 . 1 605 . 57 ILE HB H 1.79 . 1 606 . 57 ILE HG12 H 1.59 . 1 607 . 57 ILE HG13 H 1.59 . 1 608 . 57 ILE HG2 H 0.88 . 1 609 . 57 ILE HD1 H 1.04 . 1 610 . 57 ILE C C 175.43 . 1 611 . 57 ILE CA C 60.53 . 1 612 . 57 ILE CB C 40.90 . 1 613 . 57 ILE CG1 C 29.00 . 1 614 . 57 ILE CG2 C 18.38 . 1 615 . 57 ILE CD1 C 13.68 . 1 616 . 57 ILE N N 130.03 . 1 617 . 58 LEU H H 8.87 . 1 618 . 58 LEU HA H 4.83 . 1 619 . 58 LEU HB2 H 2.02 . 1 620 . 58 LEU HB3 H 1.18 . 1 621 . 58 LEU HG H 1.78 . 1 622 . 58 LEU HD1 H 1.00 . 1 623 . 58 LEU HD2 H 1.00 . 1 624 . 58 LEU C C 175.53 . 1 625 . 58 LEU CA C 53.88 . 1 626 . 58 LEU CB C 44.46 . 1 627 . 58 LEU CG C 27.36 . 1 628 . 58 LEU CD1 C 24.66 . 1 629 . 58 LEU CD2 C 24.66 . 1 630 . 58 LEU N N 123.85 . 1 631 . 59 THR H H 9.29 . 1 632 . 59 THR HA H 4.89 . 1 633 . 59 THR HB H 4.62 . 1 634 . 59 THR HG2 H 1.30 . 1 635 . 59 THR C C 173.83 . 1 636 . 59 THR CA C 60.74 . 1 637 . 59 THR CB C 70.97 . 1 638 . 59 THR CG2 C 21.65 . 1 639 . 59 THR N N 116.15 . 1 640 . 60 ARG H H 8.64 . 1 641 . 60 ARG HA H 4.03 . 1 642 . 60 ARG HB2 H 2.04 . 1 643 . 60 ARG HB3 H 2.04 . 1 644 . 60 ARG HG2 H 1.84 . 1 645 . 60 ARG HG3 H 1.84 . 1 646 . 60 ARG HD2 H 3.52 . 2 647 . 60 ARG HD3 H 3.80 . 2 648 . 60 ARG HE H 7.54 . 1 649 . 60 ARG C C 177.73 . 1 650 . 60 ARG CA C 59.89 . 1 651 . 60 ARG CB C 30.82 . 1 652 . 60 ARG CG C 27.29 . 1 653 . 60 ARG CD C 43.83 . 1 654 . 60 ARG CZ C 159.35 . 1 655 . 60 ARG N N 124.75 . 1 656 . 60 ARG NE N 83.82 . 1 657 . 61 LYS H H 8.77 . 1 658 . 61 LYS HA H 4.09 . 1 659 . 61 LYS HB2 H 1.89 . 2 660 . 61 LYS HB3 H 1.94 . 2 661 . 61 LYS HG2 H 1.48 . 2 662 . 61 LYS HG3 H 1.57 . 2 663 . 61 LYS HD2 H 1.78 . 1 664 . 61 LYS HD3 H 1.78 . 1 665 . 61 LYS HE2 H 3.07 . 1 666 . 61 LYS HE3 H 3.07 . 1 667 . 61 LYS C C 178.93 . 1 668 . 61 LYS CA C 59.75 . 1 669 . 61 LYS CB C 32.59 . 1 670 . 61 LYS CG C 24.64 . 1 671 . 61 LYS CD C 29.45 . 1 672 . 61 LYS CE C 42.35 . 1 673 . 61 LYS N N 118.65 . 1 674 . 62 THR H H 7.89 . 1 675 . 62 THR HA H 4.02 . 1 676 . 62 THR HB H 4.53 . 1 677 . 62 THR HG2 H 1.36 . 1 678 . 62 THR C C 176.43 . 1 679 . 62 THR CA C 65.77 . 1 680 . 62 THR CB C 67.10 . 1 681 . 62 THR CG2 C 25.49 . 1 682 . 62 THR N N 118.35 . 1 683 . 63 LEU H H 8.07 . 1 684 . 63 LEU HA H 3.88 . 1 685 . 63 LEU HB2 H 0.91 . 2 686 . 63 LEU HB3 H 1.71 . 2 687 . 63 LEU HG H 1.55 . 1 688 . 63 LEU HD1 H 0.40 . 2 689 . 63 LEU HD2 H 0.62 . 2 690 . 63 LEU C C 179.03 . 1 691 . 63 LEU CA C 59.16 . 1 692 . 63 LEU CB C 41.45 . 1 693 . 63 LEU CG C 27.51 . 1 694 . 63 LEU CD1 C 25.06 . 1 695 . 63 LEU CD2 C 25.06 . 1 696 . 63 LEU N N 125.45 . 1 697 . 64 GLU H H 8.92 . 1 698 . 64 GLU HA H 4.15 . 1 699 . 64 GLU HB2 H 2.31 . 1 700 . 64 GLU HB3 H 2.06 . 1 701 . 64 GLU HG2 H 2.55 . 2 702 . 64 GLU HG3 H 2.91 . 2 703 . 64 GLU C C 180.73 . 1 704 . 64 GLU CA C 60.17 . 1 705 . 64 GLU CB C 30.15 . 1 706 . 64 GLU CG C 38.12 . 1 707 . 64 GLU N N 118.65 . 1 708 . 65 GLU H H 7.85 . 1 709 . 65 GLU HA H 4.05 . 1 710 . 65 GLU HB2 H 2.16 . 2 711 . 65 GLU HB3 H 2.41 . 2 712 . 65 GLU HG2 H 2.34 . 2 713 . 65 GLU HG3 H 2.58 . 2 714 . 65 GLU C C 179.33 . 1 715 . 65 GLU CA C 59.41 . 1 716 . 65 GLU CB C 29.24 . 1 717 . 65 GLU CG C 36.47 . 1 718 . 65 GLU N N 122.05 . 1 719 . 66 GLN H H 8.49 . 1 720 . 66 GLN HA H 4.03 . 1 721 . 66 GLN HB2 H 2.04 . 1 722 . 66 GLN HB3 H 2.24 . 1 723 . 66 GLN HG2 H 2.27 . 2 724 . 66 GLN HG3 H 2.69 . 2 725 . 66 GLN HE21 H 6.86 . 2 726 . 66 GLN HE22 H 7.45 . 2 727 . 66 GLN C C 178.63 . 1 728 . 66 GLN CA C 57.18 . 1 729 . 66 GLN CB C 28.46 . 1 730 . 66 GLN CG C 34.27 . 1 731 . 66 GLN CD C 178.23 . 1 732 . 66 GLN N N 118.35 . 1 733 . 66 GLN NE2 N 114.05 . 1 734 . 67 LEU H H 8.78 . 1 735 . 67 LEU HA H 4.20 . 1 736 . 67 LEU HB2 H 1.89 . 1 737 . 67 LEU HB3 H 1.49 . 1 738 . 67 LEU HG H 1.53 . 1 739 . 67 LEU HD1 H 0.51 . 2 740 . 67 LEU HD2 H 0.86 . 2 741 . 67 LEU C C 178.73 . 1 742 . 67 LEU CA C 56.24 . 1 743 . 67 LEU CB C 43.95 . 1 744 . 67 LEU CG C 27.09 . 1 745 . 67 LEU CD1 C 24.43 . 1 746 . 67 LEU CD2 C 24.43 . 1 747 . 67 LEU N N 119.85 . 1 748 . 68 GLY H H 8.18 . 1 749 . 68 GLY HA2 H 3.86 . 2 750 . 68 GLY HA3 H 4.06 . 2 751 . 68 GLY C C 173.33 . 1 752 . 68 GLY CA C 46.13 . 1 753 . 68 GLY N N 108.15 . 1 754 . 69 ARG H H 7.66 . 1 755 . 69 ARG HA H 4.90 . 1 756 . 69 ARG HB2 H 1.83 . 2 757 . 69 ARG HB3 H 2.09 . 2 758 . 69 ARG HG2 H 1.43 . 2 759 . 69 ARG HG3 H 1.57 . 2 760 . 69 ARG HD2 H 3.11 . 2 761 . 69 ARG HD3 H 3.26 . 2 762 . 69 ARG HE H 7.39 . 1 763 . 69 ARG CA C 53.32 . 1 764 . 69 ARG CB C 29.00 . 1 765 . 69 ARG CG C 25.29 . 1 766 . 69 ARG CD C 43.90 . 1 767 . 69 ARG CZ C 160.13 . 1 768 . 69 ARG N N 116.15 . 1 769 . 69 ARG NE N 86.46 . 1 770 . 70 PRO HA H 4.39 . 1 771 . 70 PRO HB2 H 1.82 . 2 772 . 70 PRO HB3 H 2.38 . 2 773 . 70 PRO HG2 H 1.96 . 2 774 . 70 PRO HG3 H 2.11 . 2 775 . 70 PRO HD2 H 3.59 . 2 776 . 70 PRO HD3 H 3.83 . 2 777 . 70 PRO C C 176.53 . 1 778 . 70 PRO CA C 63.07 . 1 779 . 70 PRO CB C 32.10 . 1 780 . 70 PRO CG C 27.94 . 1 781 . 70 PRO CD C 50.66 . 1 782 . 71 PHE H H 9.58 . 1 783 . 71 PHE HA H 4.80 . 1 784 . 71 PHE HB2 H 2.86 . 2 785 . 71 PHE HB3 H 2.92 . 2 786 . 71 PHE HD1 H 7.05 . 1 787 . 71 PHE HD2 H 7.05 . 1 788 . 71 PHE HE1 H 7.20 . 1 789 . 71 PHE HE2 H 7.20 . 1 790 . 71 PHE HZ H 6.98 . 1 791 . 71 PHE C C 172.53 . 1 792 . 71 PHE CA C 57.65 . 1 793 . 71 PHE CB C 43.68 . 1 794 . 71 PHE CD1 C 132.23 . 1 795 . 71 PHE CD2 C 132.23 . 1 796 . 71 PHE CE1 C 131.33 . 1 797 . 71 PHE CE2 C 131.33 . 1 798 . 71 PHE CZ C 128.73 . 1 799 . 71 PHE N N 127.25 . 1 800 . 72 ASN H H 8.00 . 1 801 . 72 ASN HA H 4.75 . 1 802 . 72 ASN HB2 H 2.77 . 1 803 . 72 ASN HB3 H 2.65 . 1 804 . 72 ASN HD21 H 6.95 . 2 805 . 72 ASN HD22 H 7.65 . 2 806 . 72 ASN C C 175.03 . 1 807 . 72 ASN CA C 51.46 . 1 808 . 72 ASN CB C 40.77 . 1 809 . 72 ASN CG C 176.73 . 1 810 . 72 ASN N N 126.65 . 1 811 . 72 ASN ND2 N 114.65 . 1 812 . 73 MET H H 9.12 . 1 813 . 73 MET HA H 4.31 . 1 814 . 73 MET HB2 H 2.12 . 1 815 . 73 MET HB3 H 2.12 . 1 816 . 73 MET HG2 H 2.72 . 2 817 . 73 MET HG3 H 2.77 . 2 818 . 73 MET C C 178.53 . 1 819 . 73 MET CA C 57.05 . 1 820 . 73 MET CB C 31.46 . 1 821 . 73 MET CG C 33.37 . 1 822 . 73 MET N N 123.25 . 1 823 . 74 GLN H H 8.67 . 1 824 . 74 GLN HA H 4.12 . 1 825 . 74 GLN HB2 H 2.02 . 1 826 . 74 GLN HB3 H 2.02 . 1 827 . 74 GLN HG2 H 2.43 . 1 828 . 74 GLN HG3 H 2.43 . 1 829 . 74 GLN HE21 H 6.80 . 2 830 . 74 GLN HE22 H 7.53 . 2 831 . 74 GLN C C 177.73 . 1 832 . 74 GLN CA C 59.03 . 1 833 . 74 GLN CB C 28.12 . 1 834 . 74 GLN CG C 34.28 . 1 835 . 74 GLN CD C 180.43 . 1 836 . 74 GLN N N 121.05 . 1 837 . 74 GLN NE2 N 113.05 . 1 838 . 75 GLU H H 8.05 . 1 839 . 75 GLU HA H 3.96 . 1 840 . 75 GLU HB2 H 1.92 . 1 841 . 75 GLU HB3 H 1.92 . 1 842 . 75 GLU HG2 H 2.18 . 2 843 . 75 GLU HG3 H 2.29 . 2 844 . 75 GLU C C 179.03 . 1 845 . 75 GLU CA C 58.95 . 1 846 . 75 GLU CB C 29.30 . 1 847 . 75 GLU CG C 36.91 . 1 848 . 75 GLU N N 119.83 . 1 849 . 76 LEU H H 7.31 . 1 850 . 76 LEU HA H 4.28 . 1 851 . 76 LEU HB2 H 2.29 . 1 852 . 76 LEU HB3 H 1.74 . 1 853 . 76 LEU HG H 1.73 . 1 854 . 76 LEU HD1 H 1.04 . 1 855 . 76 LEU HD2 H 1.04 . 1 856 . 76 LEU C C 178.33 . 1 857 . 76 LEU CA C 57.76 . 1 858 . 76 LEU CB C 41.85 . 1 859 . 76 LEU CG C 27.91 . 1 860 . 76 LEU CD1 C 26.13 . 2 861 . 76 LEU CD2 C 24.37 . 2 862 . 76 LEU N N 119.85 . 1 863 . 77 GLU H H 7.79 . 1 864 . 77 GLU HA H 3.82 . 1 865 . 77 GLU HB2 H 2.17 . 1 866 . 77 GLU HB3 H 2.17 . 1 867 . 77 GLU HG2 H 2.12 . 2 868 . 77 GLU HG3 H 2.32 . 2 869 . 77 GLU C C 179.73 . 1 870 . 77 GLU CA C 60.65 . 1 871 . 77 GLU CB C 29.76 . 1 872 . 77 GLU CG C 36.76 . 1 873 . 77 GLU N N 118.95 . 1 874 . 78 ILE H H 7.94 . 1 875 . 78 ILE HA H 4.19 . 1 876 . 78 ILE HB H 2.06 . 1 877 . 78 ILE HG12 H 1.45 . 2 878 . 78 ILE HG13 H 1.60 . 2 879 . 78 ILE HG2 H 1.05 . 1 880 . 78 ILE HD1 H 0.92 . 1 881 . 78 ILE C C 176.63 . 1 882 . 78 ILE CA C 63.49 . 1 883 . 78 ILE CB C 38.25 . 1 884 . 78 ILE CG1 C 28.09 . 1 885 . 78 ILE CG2 C 17.55 . 1 886 . 78 ILE CD1 C 13.74 . 1 887 . 78 ILE N N 115.85 . 1 888 . 79 ASN H H 7.58 . 1 889 . 79 ASN HA H 4.81 . 1 890 . 79 ASN HB2 H 2.75 . 1 891 . 79 ASN HB3 H 3.06 . 1 892 . 79 ASN HD21 H 7.73 . 2 893 . 79 ASN HD22 H 7.98 . 2 894 . 79 ASN C C 173.43 . 1 895 . 79 ASN CA C 54.60 . 1 896 . 79 ASN CB C 41.54 . 1 897 . 79 ASN CG C 177.63 . 1 898 . 79 ASN N N 118.95 . 1 899 . 79 ASN ND2 N 118.85 . 1 900 . 80 LEU H H 7.64 . 1 901 . 80 LEU HA H 4.74 . 1 902 . 80 LEU HB2 H 1.93 . 1 903 . 80 LEU HB3 H 1.93 . 1 904 . 80 LEU HG H 1.07 . 1 905 . 80 LEU HD1 H 0.98 . 1 906 . 80 LEU HD2 H 0.98 . 1 907 . 80 LEU C C 175.93 . 1 908 . 80 LEU CA C 54.96 . 1 909 . 80 LEU CB C 41.27 . 1 910 . 80 LEU CG C 25.98 . 1 911 . 80 LEU CD1 C 25.01 . 1 912 . 80 LEU CD2 C 25.01 . 1 913 . 80 LEU N N 122.65 . 1 914 . 81 ALA H H 8.96 . 1 915 . 81 ALA HA H 4.35 . 1 916 . 81 ALA HB H 1.28 . 1 917 . 81 ALA C C 178.13 . 1 918 . 81 ALA CA C 54.26 . 1 919 . 81 ALA CB C 19.71 . 1 920 . 81 ALA N N 131.55 . 1 921 . 82 SER H H 8.20 . 1 922 . 82 SER HA H 4.37 . 1 923 . 82 SER HB2 H 3.64 . 2 924 . 82 SER HB3 H 3.97 . 2 925 . 82 SER C C 172.35 . 1 926 . 82 SER CA C 56.77 . 1 927 . 82 SER CB C 62.44 . 1 928 . 82 SER N N 108.15 . 1 929 . 83 PHE H H 8.07 . 1 930 . 83 PHE HA H 4.96 . 1 931 . 83 PHE HB2 H 2.89 . 2 932 . 83 PHE HB3 H 3.46 . 2 933 . 83 PHE HD1 H 6.99 . 1 934 . 83 PHE HD2 H 6.99 . 1 935 . 83 PHE HE1 H 7.48 . 1 936 . 83 PHE HE2 H 7.48 . 1 937 . 83 PHE HZ H 7.40 . 1 938 . 83 PHE C C 172.43 . 1 939 . 83 PHE CA C 57.05 . 1 940 . 83 PHE CB C 41.38 . 1 941 . 83 PHE CD1 C 132.53 . 1 942 . 83 PHE CD2 C 132.53 . 1 943 . 83 PHE CE1 C 132.13 . 1 944 . 83 PHE CE2 C 132.13 . 1 945 . 83 PHE CZ C 130.63 . 1 946 . 83 PHE N N 113.65 . 1 947 . 84 ALA H H 8.92 . 1 948 . 84 ALA HA H 4.92 . 1 949 . 84 ALA HB H 1.54 . 1 950 . 84 ALA C C 177.33 . 1 951 . 84 ALA CA C 50.92 . 1 952 . 84 ALA CB C 21.93 . 1 953 . 84 ALA N N 125.35 . 1 954 . 85 GLY H H 8.50 . 1 955 . 85 GLY HA2 H 3.81 . 2 956 . 85 GLY HA3 H 4.42 . 2 957 . 85 GLY C C 173.53 . 1 958 . 85 GLY CA C 43.96 . 1 959 . 85 GLY N N 110.35 . 1 960 . 86 GLN H H 8.55 . 1 961 . 86 GLN HA H 4.61 . 1 962 . 86 GLN HB2 H 0.73 . 2 963 . 86 GLN HB3 H 1.60 . 2 964 . 86 GLN HG2 H 2.21 . 2 965 . 86 GLN HG3 H 2.27 . 2 966 . 86 GLN HE21 H 6.93 . 2 967 . 86 GLN HE22 H 7.49 . 2 968 . 86 GLN C C 174.63 . 1 969 . 86 GLN CA C 54.32 . 1 970 . 86 GLN CB C 29.70 . 1 971 . 86 GLN CG C 34.48 . 1 972 . 86 GLN CD C 180.53 . 1 973 . 86 GLN N N 117.75 . 1 974 . 86 GLN NE2 N 114.05 . 1 975 . 87 ILE H H 8.28 . 1 976 . 87 ILE HA H 5.00 . 1 977 . 87 ILE HB H 0.90 . 1 978 . 87 ILE HG12 H 0.34 . 2 979 . 87 ILE HG13 H 0.67 . 2 980 . 87 ILE HG2 H 0.48 . 1 981 . 87 ILE HD1 H 0.05 . 1 982 . 87 ILE C C 175.63 . 1 983 . 87 ILE CA C 59.29 . 1 984 . 87 ILE CB C 41.93 . 1 985 . 87 ILE CG1 C 27.75 . 1 986 . 87 ILE CG2 C 16.48 . 1 987 . 87 ILE CD1 C 12.90 . 1 988 . 87 ILE N N 118.65 . 1 989 . 88 GLN H H 8.86 . 1 990 . 88 GLN HA H 4.59 . 1 991 . 88 GLN HB2 H 2.06 . 1 992 . 88 GLN HB3 H 2.06 . 1 993 . 88 GLN HG2 H 2.36 . 1 994 . 88 GLN HG3 H 2.36 . 1 995 . 88 GLN HE21 H 6.74 . 2 996 . 88 GLN HE22 H 7.63 . 2 997 . 88 GLN C C 173.83 . 1 998 . 88 GLN CA C 55.49 . 1 999 . 88 GLN CB C 30.99 . 1 1000 . 88 GLN CG C 33.62 . 1 1001 . 88 GLN CD C 180.03 . 1 1002 . 88 GLN N N 128.53 . 1 1003 . 88 GLN NE2 N 113.43 . 1 1004 . 89 ALA H H 9.11 . 1 1005 . 89 ALA HA H 5.10 . 1 1006 . 89 ALA HB H 1.28 . 1 1007 . 89 ALA C C 175.33 . 1 1008 . 89 ALA CA C 51.31 . 1 1009 . 89 ALA CB C 21.93 . 1 1010 . 89 ALA N N 132.55 . 1 1011 . 90 ASP H H 8.78 . 1 1012 . 90 ASP HA H 4.78 . 1 1013 . 90 ASP HB2 H 2.86 . 2 1014 . 90 ASP HB3 H 3.15 . 2 1015 . 90 ASP C C 175.65 . 1 1016 . 90 ASP CA C 53.39 . 1 1017 . 90 ASP CB C 42.50 . 1 1018 . 90 ASP N N 124.15 . 1 1019 . 91 GLU H H 8.62 . 1 1020 . 91 GLU HA H 4.15 . 1 1021 . 91 GLU HB2 H 2.05 . 2 1022 . 91 GLU HB3 H 2.12 . 2 1023 . 91 GLU HG2 H 2.39 . 1 1024 . 91 GLU HG3 H 2.39 . 1 1025 . 91 GLU C C 177.33 . 1 1026 . 91 GLU CA C 58.81 . 1 1027 . 91 GLU CB C 29.85 . 1 1028 . 91 GLU CG C 36.60 . 1 1029 . 91 GLU N N 116.15 . 1 1030 . 92 ASP H H 9.08 . 1 1031 . 92 ASP HA H 5.01 . 1 1032 . 92 ASP HB2 H 2.75 . 2 1033 . 92 ASP HB3 H 2.80 . 2 1034 . 92 ASP C C 177.13 . 1 1035 . 92 ASP CA C 55.24 . 1 1036 . 92 ASP CB C 43.18 . 1 1037 . 92 ASP N N 117.05 . 1 1038 . 93 GLN H H 8.39 . 1 1039 . 93 GLN HA H 5.16 . 1 1040 . 93 GLN HB2 H 1.80 . 2 1041 . 93 GLN HB3 H 2.42 . 2 1042 . 93 GLN HG2 H 2.04 . 2 1043 . 93 GLN HG3 H 2.40 . 2 1044 . 93 GLN HE21 H 6.50 . 2 1045 . 93 GLN HE22 H 7.48 . 2 1046 . 93 GLN C C 172.13 . 1 1047 . 93 GLN CA C 55.90 . 1 1048 . 93 GLN CB C 31.06 . 1 1049 . 93 GLN CG C 32.20 . 1 1050 . 93 GLN CD C 180.23 . 1 1051 . 93 GLN N N 121.45 . 1 1052 . 93 GLN NE2 N 111.55 . 1 1053 . 94 ILE H H 8.83 . 1 1054 . 94 ILE HA H 4.68 . 1 1055 . 94 ILE HB H 1.54 . 1 1056 . 94 ILE HG12 H 0.69 . 1 1057 . 94 ILE HG13 H 0.69 . 1 1058 . 94 ILE HG2 H 0.59 . 1 1059 . 94 ILE HD1 H 0.78 . 1 1060 . 94 ILE C C 171.93 . 1 1061 . 94 ILE CA C 60.67 . 1 1062 . 94 ILE CB C 41.52 . 1 1063 . 94 ILE CG1 C 28.20 . 1 1064 . 94 ILE CG2 C 17.99 . 1 1065 . 94 ILE CD1 C 14.38 . 1 1066 . 94 ILE N N 120.15 . 1 1067 . 95 ARG H H 8.54 . 1 1068 . 95 ARG HA H 5.14 . 1 1069 . 95 ARG HB2 H 1.55 . 2 1070 . 95 ARG HB3 H 1.88 . 2 1071 . 95 ARG HG2 H 1.32 . 2 1072 . 95 ARG HG3 H 1.50 . 2 1073 . 95 ARG HD2 H 2.95 . 2 1074 . 95 ARG HD3 H 3.14 . 2 1075 . 95 ARG C C 173.63 . 1 1076 . 95 ARG CA C 53.96 . 1 1077 . 95 ARG CB C 34.35 . 1 1078 . 95 ARG CG C 29.54 . 1 1079 . 95 ARG CD C 43.27 . 1 1080 . 95 ARG N N 127.85 . 1 1081 . 96 PHE H H 9.19 . 1 1082 . 96 PHE HA H 5.74 . 1 1083 . 96 PHE HB2 H 3.04 . 1 1084 . 96 PHE HB3 H 3.18 . 1 1085 . 96 PHE HD1 H 7.27 . 1 1086 . 96 PHE HD2 H 7.27 . 1 1087 . 96 PHE HE1 H 6.87 . 1 1088 . 96 PHE HE2 H 6.87 . 1 1089 . 96 PHE C C 176.13 . 1 1090 . 96 PHE CA C 55.52 . 1 1091 . 96 PHE CB C 40.31 . 1 1092 . 96 PHE CD1 C 130.43 . 1 1093 . 96 PHE CD2 C 130.43 . 1 1094 . 96 PHE CE1 C 132.13 . 1 1095 . 96 PHE CE2 C 132.13 . 1 1096 . 96 PHE N N 126.35 . 1 1097 . 97 TYR H H 9.29 . 1 1098 . 97 TYR HA H 5.63 . 1 1099 . 97 TYR HB2 H 3.01 . 2 1100 . 97 TYR HB3 H 3.13 . 2 1101 . 97 TYR HD1 H 6.75 . 1 1102 . 97 TYR HD2 H 6.75 . 1 1103 . 97 TYR HE1 H 6.53 . 1 1104 . 97 TYR HE2 H 6.53 . 1 1105 . 97 TYR C C 172.83 . 1 1106 . 97 TYR CA C 56.67 . 1 1107 . 97 TYR CB C 40.61 . 1 1108 . 97 TYR CD1 C 133.83 . 1 1109 . 97 TYR CD2 C 133.83 . 1 1110 . 97 TYR CE1 C 117.73 . 1 1111 . 97 TYR CE2 C 117.73 . 1 1112 . 97 TYR N N 119.25 . 1 1113 . 98 PHE H H 8.56 . 1 1114 . 98 PHE HA H 4.70 . 1 1115 . 98 PHE HB2 H 3.09 . 2 1116 . 98 PHE HB3 H 3.23 . 2 1117 . 98 PHE HD1 H 7.27 . 1 1118 . 98 PHE HD2 H 7.27 . 1 1119 . 98 PHE HE1 H 7.36 . 1 1120 . 98 PHE HE2 H 7.36 . 1 1121 . 98 PHE C C 174.83 . 1 1122 . 98 PHE CA C 57.85 . 1 1123 . 98 PHE CB C 40.96 . 1 1124 . 98 PHE CD1 C 132.73 . 1 1125 . 98 PHE CD2 C 132.73 . 1 1126 . 98 PHE CE1 C 131.33 . 1 1127 . 98 PHE CE2 C 131.33 . 1 1128 . 98 PHE N N 122.65 . 1 1129 . 99 ASP H H 8.41 . 1 1130 . 99 ASP HA H 4.68 . 1 1131 . 99 ASP HB2 H 2.52 . 1 1132 . 99 ASP HB3 H 2.69 . 1 1133 . 99 ASP C C 175.33 . 1 1134 . 99 ASP CA C 53.66 . 1 1135 . 99 ASP CB C 42.34 . 1 1136 . 99 ASP N N 127.55 . 1 1137 . 100 LYS H H 8.15 . 1 1138 . 100 LYS HA H 4.28 . 1 1139 . 100 LYS HB2 H 1.84 . 2 1140 . 100 LYS HB3 H 1.92 . 2 1141 . 100 LYS HG2 H 1.51 . 1 1142 . 100 LYS HG3 H 1.51 . 1 1143 . 100 LYS HD2 H 1.79 . 1 1144 . 100 LYS HD3 H 1.79 . 1 1145 . 100 LYS HE2 H 3.09 . 1 1146 . 100 LYS HE3 H 3.09 . 1 1147 . 100 LYS C C 176.53 . 1 1148 . 100 LYS CA C 56.76 . 1 1149 . 100 LYS CB C 32.94 . 1 1150 . 100 LYS CG C 24.65 . 1 1151 . 100 LYS CD C 29.54 . 1 1152 . 100 LYS CE C 42.09 . 1 1153 . 100 LYS N N 124.15 . 1 1154 . 101 THR H H 8.44 . 1 1155 . 101 THR HA H 4.36 . 1 1156 . 101 THR HB H 4.30 . 1 1157 . 101 THR HG2 H 1.27 . 1 1158 . 101 THR C C 173.93 . 1 1159 . 101 THR CA C 62.39 . 1 1160 . 101 THR CB C 69.65 . 1 1161 . 101 THR CG2 C 21.76 . 1 1162 . 101 THR N N 116.15 . 1 1163 . 102 MET H H 7.80 . 1 1164 . 102 MET HA H 4.33 . 1 1165 . 102 MET HB2 H 1.98 . 2 1166 . 102 MET HB3 H 2.13 . 2 1167 . 102 MET HG2 H 2.55 . 1 1168 . 102 MET HG3 H 2.55 . 1 1169 . 102 MET CA C 57.22 . 1 1170 . 102 MET CB C 34.11 . 1 1171 . 102 MET N N 128.55 . 1 stop_ save_