data_5058 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Letter to the Editor: Sequence specific 1H, 13C and 15N resonance assignments of human GABA receptor associated protein ; _BMRB_accession_number 5058 _BMRB_flat_file_name bmr5058.str _Entry_type original _Submission_date 2001-06-14 _Accession_date 2001-06-14 _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 Stangler Thomas . . 2 Mayr Lorenz M. . 3 Dingley Andrew J. . 4 Luge Cornelia . . 5 Willbold Dieter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 722 "13C chemical shifts" 527 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-11-06 original author . stop_ _Original_release_date 2001-11-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Sequence specific 1H, 13C and 15N resonance assignments of human GABA receptor associated protein ; _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 Stangler Thomas . . 2 Mayr Lorenz M. . 3 Dingley Andrew J. . 4 Luge Cornelia . . 5 Willbold Dieter . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 21 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 183 _Page_last 184 _Year 2001 _Details . loop_ _Keyword 'human GABA receptor associated protein' GABA-RAP 'signal transduction' 'NMR assignment' stop_ save_ ################################## # Molecular system description # ################################## save_system_GABARAP _Saveframe_category molecular_system _Mol_system_name GABARAP _Abbreviation_common GABARAP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GABARAP $GABARAP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'GABA-A receptor targeting' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GABARAP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GABARAP _Abbreviation_common GABARAP _Molecular_mass 14077 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GSMKFVYKEEHPFEKRRSEG EKIRKKYPDRVPVIVEKAPK ARIGDLDKKKYLVPSDLTVG QFYFLIRKRIHLRAEDALFF FVNNVIPPTSATMGQLYQEH HEEDFFLYIAYSDESVYGL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 MET 4 LYS 5 PHE 6 VAL 7 TYR 8 LYS 9 GLU 10 GLU 11 HIS 12 PRO 13 PHE 14 GLU 15 LYS 16 ARG 17 ARG 18 SER 19 GLU 20 GLY 21 GLU 22 LYS 23 ILE 24 ARG 25 LYS 26 LYS 27 TYR 28 PRO 29 ASP 30 ARG 31 VAL 32 PRO 33 VAL 34 ILE 35 VAL 36 GLU 37 LYS 38 ALA 39 PRO 40 LYS 41 ALA 42 ARG 43 ILE 44 GLY 45 ASP 46 LEU 47 ASP 48 LYS 49 LYS 50 LYS 51 TYR 52 LEU 53 VAL 54 PRO 55 SER 56 ASP 57 LEU 58 THR 59 VAL 60 GLY 61 GLN 62 PHE 63 TYR 64 PHE 65 LEU 66 ILE 67 ARG 68 LYS 69 ARG 70 ILE 71 HIS 72 LEU 73 ARG 74 ALA 75 GLU 76 ASP 77 ALA 78 LEU 79 PHE 80 PHE 81 PHE 82 VAL 83 ASN 84 ASN 85 VAL 86 ILE 87 PRO 88 PRO 89 THR 90 SER 91 ALA 92 THR 93 MET 94 GLY 95 GLN 96 LEU 97 TYR 98 GLN 99 GLU 100 HIS 101 HIS 102 GLU 103 GLU 104 ASP 105 PHE 106 PHE 107 LEU 108 TYR 109 ILE 110 ALA 111 TYR 112 SER 113 ASP 114 GLU 115 SER 116 VAL 117 TYR 118 GLY 119 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 5064 GABARAP 100.00 136 100.00 100.00 6.30e-80 BMRB 5128 GABARAP 98.32 117 100.00 100.00 2.41e-78 PDB 1GNU "Gaba(a) Receptor Associated Protein Gabarap" 98.32 117 100.00 100.00 2.41e-78 PDB 1KJT "Crystal Structure Of The Gaba(A) Receptor Associated Protein, Gabarap" 100.00 119 99.16 99.16 2.86e-79 PDB 1KLV "Solution Structure And Backbone Dynamics Of Gabarap, Gabaa Receptor Associated Protein" 98.32 117 100.00 100.00 2.41e-78 PDB 1KM7 "Solution Structure And Backbone Dynamics Of Gabarap, Gabaa Receptor Associated Protein" 98.32 117 100.00 100.00 2.41e-78 PDB 1KOT "Solution Structure Of Human Gaba Receptor Associated Protein Gabarap" 100.00 119 100.00 100.00 6.42e-80 PDB 3D32 "Complex Of Gaba(a) Receptor-associated Protein (gabarap) With A Synthetic Peptide" 100.00 119 100.00 100.00 6.42e-80 PDB 3DOW "Complex Structure Of Gaba Type A Receptor Associated Protein And Its Binding Epitope On Calreticulin" 100.00 119 100.00 100.00 6.42e-80 PDB 3WIM "Gabarap-lir Peptide Complex" 98.32 117 100.00 100.00 2.41e-78 DBJ BAB21549 "MAP1 light chain 3 related protein [Homo sapiens]" 98.32 117 100.00 100.00 2.41e-78 DBJ BAB22426 "unnamed protein product [Mus musculus]" 98.32 117 99.15 100.00 8.36e-78 DBJ BAB27806 "unnamed protein product [Mus musculus]" 98.32 117 100.00 100.00 2.41e-78 DBJ BAG35138 "unnamed protein product [Homo sapiens]" 98.32 117 99.15 100.00 6.44e-78 EMBL CAG00707 "unnamed protein product, partial [Tetraodon nigroviridis]" 97.48 116 98.28 98.28 1.65e-75 EMBL CAG33324 "GABARAP [Homo sapiens]" 98.32 117 100.00 100.00 2.41e-78 EMBL CAG47031 "GABARAP [Homo sapiens]" 98.32 117 100.00 100.00 2.41e-78 EMBL CAP17839 "GABAA receptor-associated protein 1 [Carassius carassius]" 79.83 95 100.00 100.00 2.45e-61 EMBL CAP17840 "GABAA receptor-associated protein 2 [Carassius carassius]" 52.10 62 98.39 98.39 1.66e-34 GB AAD02337 "MM46 [Homo sapiens]" 98.32 117 100.00 100.00 2.41e-78 GB AAD32455 "ganglioside expression factor 2 homolog [Homo sapiens]" 98.32 117 100.00 100.00 2.41e-78 GB AAD47641 "GABA-A receptor-associated protein [Homo sapiens]" 98.32 117 100.00 100.00 2.41e-78 GB AAD47642 "GABA-A receptor-associated protein [Mus musculus]" 98.32 117 100.00 100.00 2.41e-78 GB AAD47643 "GABA-A receptor-associated protein [Rattus norvegicus]" 98.32 117 100.00 100.00 2.41e-78 REF NP_001011192 "GABA(A) receptor-associated protein like 1 [Xenopus (Silurana) tropicalis]" 98.32 117 100.00 100.00 2.41e-78 REF NP_001013278 "GABA(A) receptor-associated protein [Danio rerio]" 97.48 122 98.28 99.14 5.21e-76 REF NP_001029220 "gamma-aminobutyric acid receptor-associated protein [Bos taurus]" 98.32 117 100.00 100.00 2.41e-78 REF NP_001075611 "gamma-aminobutyric acid receptor-associated protein [Oryctolagus cuniculus]" 98.32 117 100.00 100.00 2.41e-78 REF NP_001084530 "uncharacterized protein LOC414477 [Xenopus laevis]" 98.32 117 98.29 99.15 4.30e-77 SP O95166 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; AltName: " 98.32 117 100.00 100.00 2.41e-78 SP P60517 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" 98.32 117 100.00 100.00 2.41e-78 SP Q8MK68 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" 98.32 117 100.00 100.00 2.41e-78 SP Q9DCD6 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" 98.32 117 100.00 100.00 2.41e-78 SP Q9GJW7 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" 98.32 117 100.00 100.00 2.41e-78 TPG DAA18837 "TPA: gamma-aminobutyric acid receptor-associated protein [Bos taurus]" 98.32 117 100.00 100.00 2.41e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GABARAP 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_type _Vector_name _Details $GABARAP 'recombinant technology' . . . . plasmid pGEX-4T-1 ; Overexpression yields GST-GABARAP. Cleavage by thrombin results in GABARAP plus Gly-Ser at the N-terminus. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Glycerol impurities in sample due to the purification procedure.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GABARAP 0.8 mM '[U-15N; U-13C]' 'sodium chloride' 100 mM . 'potassium chloride' 100 mM . 'sodium oxalate' 25 mM . 'sodium azide' 0.02 % . EDTA 0.05 mM . PMSF 0.1 mM . Glycerol . mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'data processing' stop_ _Details 'J. Biomol. NMR. 6, 277 (1995).' save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.3 loop_ _Task 'spectral analysis' stop_ _Details 'J. Biomol. NMR. 4, 603 (1994).' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity INOVA' _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HCCONH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH-TOCSY _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _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 CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5 0.1 n/a temperature 298 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 ; Several unassigned weak signals were observed that may correspond to a minor conformational species. Resonances for residues 19, 21, 22 and 107 appear at two different proton frequencies, only one deposited. ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GABARAP _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 SER CA C 58.364 . 1 2 . 2 SER HA H 4.496 . 1 3 . 2 SER CB C 64.269 . 1 4 . 2 SER HB2 H 3.828 . 1 5 . 2 SER HB3 H 3.828 . 1 6 . 2 SER C C 174.226 . 1 7 . 3 MET N N 121.859 . 1 8 . 3 MET H H 8.388 . 1 9 . 3 MET CA C 55.859 . 1 10 . 3 MET HA H 4.215 . 1 11 . 3 MET CB C 33.672 . 1 12 . 3 MET HB2 H 1.767 . 2 13 . 3 MET HB3 H 1.859 . 2 14 . 3 MET CG C 31.794 . 1 15 . 3 MET HG2 H 1.778 . 2 16 . 3 MET HG3 H 2.154 . 2 17 . 3 MET CE C 17.390 . 1 18 . 3 MET HE H 1.622 . 1 19 . 3 MET C C 175.196 . 1 20 . 4 LYS N N 125.327 . 1 21 . 4 LYS H H 8.064 . 1 22 . 4 LYS CA C 55.501 . 1 23 . 4 LYS HA H 4.534 . 1 24 . 4 LYS CB C 33.672 . 1 25 . 4 LYS HB2 H 1.670 . 1 26 . 4 LYS HB3 H 1.670 . 1 27 . 4 LYS CG C 24.547 . 1 28 . 4 LYS HG2 H 1.405 . 2 29 . 4 LYS HG3 H 1.234 . 2 30 . 4 LYS CD C 29.199 . 1 31 . 4 LYS HD2 H 1.627 . 1 32 . 4 LYS HD3 H 1.627 . 1 33 . 4 LYS CE C 42.261 . 1 34 . 4 LYS HE2 H 2.930 . 1 35 . 4 LYS HE3 H 2.930 . 1 36 . 4 LYS C C 175.047 . 1 37 . 5 PHE N N 123.709 . 1 38 . 5 PHE H H 8.608 . 1 39 . 5 PHE CA C 57.648 . 1 40 . 5 PHE HA H 4.729 . 1 41 . 5 PHE CB C 40.472 . 1 42 . 5 PHE HB2 H 2.623 . 2 43 . 5 PHE HB3 H 3.052 . 2 44 . 5 PHE CD1 C 131.844 . 1 45 . 5 PHE HD1 H 7.216 . 1 46 . 5 PHE CE1 C 132.169 . 1 47 . 5 PHE HE1 H 7.415 . 1 48 . 5 PHE CE2 C 132.169 . 1 49 . 5 PHE HE2 H 7.415 . 1 50 . 5 PHE CD2 C 131.844 . 1 51 . 5 PHE HD2 H 7.216 . 1 52 . 5 PHE C C 177.096 . 1 53 . 6 VAL N N 117.235 . 1 54 . 6 VAL H H 7.642 . 1 55 . 6 VAL CA C 66.416 . 1 56 . 6 VAL HA H 3.711 . 1 57 . 6 VAL CB C 31.525 . 1 58 . 6 VAL HB H 2.240 . 1 59 . 6 VAL CG2 C 21.506 . 1 60 . 6 VAL HG2 H 1.003 . 2 61 . 6 VAL CG1 C 22.937 . 1 62 . 6 VAL HG1 H 1.128 . 1 63 . 7 TYR CA C 62.837 . 1 64 . 7 TYR HA H 4.354 . 1 65 . 7 TYR CB C 41.008 . 1 66 . 7 TYR HB2 H 2.717 . 1 67 . 7 TYR HB3 H 3.504 . 1 68 . 8 LYS CA C 56.455 . 1 69 . 8 LYS HA H 4.297 . 1 70 . 8 LYS CB C 33.160 . 1 71 . 8 LYS HB2 H 1.824 . 2 72 . 8 LYS HB3 H 1.750 . 2 73 . 8 LYS CG C 24.905 . 1 74 . 8 LYS HG2 H 1.429 . 2 75 . 8 LYS HG3 H 1.417 . 2 76 . 8 LYS CD C 29.020 . 1 77 . 8 LYS HD2 H 1.679 . 1 78 . 8 LYS HD3 H 1.679 . 1 79 . 8 LYS CE C 41.724 . 1 80 . 8 LYS HE2 H 3.007 . 1 81 . 8 LYS HE3 H 3.007 . 1 82 . 9 GLU CA C 57.500 . 1 83 . 9 GLU HA H 4.159 . 1 84 . 9 GLU CB C 30.300 . 1 85 . 9 GLU HB2 H 2.143 . 1 86 . 9 GLU HB3 H 2.143 . 1 87 . 9 GLU CG C 36.350 . 1 88 . 9 GLU HG2 H 2.290 . 2 89 . 9 GLU HG3 H 2.366 . 2 90 . 10 GLU N N 122.606 . 1 91 . 10 GLU H H 8.451 . 1 92 . 10 GLU CA C 57.640 . 1 93 . 10 GLU HA H 3.937 . 1 94 . 10 GLU CB C 30.810 . 1 95 . 10 GLU HB2 H 1.478 . 2 96 . 10 GLU HB3 H 1.711 . 2 97 . 10 GLU CG C 36.714 . 1 98 . 10 GLU HG2 H 1.868 . 2 99 . 10 GLU HG3 H 2.204 . 2 100 . 11 HIS HD2 H 6.231 . 2 101 . 11 HIS HE1 H 7.805 . 2 102 . 12 PRO CA C 62.658 . 1 103 . 12 PRO HA H 4.619 . 1 104 . 12 PRO CB C 32.957 . 1 105 . 12 PRO HB2 H 2.090 . 2 106 . 12 PRO HB3 H 2.598 . 2 107 . 12 PRO CG C 27.753 . 1 108 . 12 PRO HG2 H 2.150 . 1 109 . 12 PRO HG3 H 2.150 . 1 110 . 12 PRO HD2 H 3.717 . 2 111 . 12 PRO HD3 H 3.913 . 2 112 . 13 PHE CA C 63.016 . 1 113 . 13 PHE HA H 3.957 . 1 114 . 13 PHE CB C 39.756 . 1 115 . 13 PHE HB2 H 2.986 . 2 116 . 13 PHE HB3 H 3.478 . 2 117 . 13 PHE CD1 C 132.314 . 1 118 . 13 PHE HD1 H 7.302 . 1 119 . 13 PHE CD2 C 132.314 . 1 120 . 13 PHE HD2 H 7.302 . 1 121 . 13 PHE C C 175.776 . 1 122 . 14 GLU N N 116.079 . 1 123 . 14 GLU H H 9.568 . 1 124 . 14 GLU CA C 60.153 . 1 125 . 14 GLU HA H 3.761 . 1 126 . 14 GLU CB C 28.841 . 1 127 . 14 GLU HB2 H 2.091 . 1 128 . 14 GLU HB3 H 2.091 . 1 129 . 14 GLU CG C 36.535 . 1 130 . 14 GLU HG2 H 2.450 . 2 131 . 14 GLU HG3 H 2.477 . 2 132 . 14 GLU C C 179.277 . 1 133 . 15 LYS N N 118.853 . 1 134 . 15 LYS H H 7.126 . 1 135 . 15 LYS CA C 58.543 . 1 136 . 15 LYS HA H 4.196 . 1 137 . 15 LYS CB C 32.778 . 1 138 . 15 LYS HB2 H 2.007 . 1 139 . 15 LYS HB3 H 2.007 . 1 140 . 15 LYS CG C 25.084 . 1 141 . 15 LYS HG2 H 1.503 . 2 142 . 15 LYS HG3 H 1.574 . 2 143 . 15 LYS CD C 29.557 . 1 144 . 15 LYS HD2 H 1.774 . 1 145 . 15 LYS HD3 H 1.774 . 1 146 . 15 LYS CE C 42.261 . 1 147 . 15 LYS HE2 H 3.042 . 1 148 . 15 LYS HE3 H 3.042 . 1 149 . 17 ARG CA C 58.543 . 1 150 . 17 ARG HA H 4.445 . 1 151 . 17 ARG CB C 29.378 . 1 152 . 17 ARG HB2 H 1.447 . 2 153 . 17 ARG HB3 H 0.908 . 2 154 . 17 ARG CG C 26.873 . 1 155 . 17 ARG HG2 H 1.740 . 2 156 . 17 ARG HG3 H 1.780 . 2 157 . 17 ARG CD C 43.513 . 1 158 . 17 ARG HD2 H 3.342 . 2 159 . 17 ARG HD3 H 3.130 . 2 160 . 17 ARG C C 178.082 . 1 161 . 18 SER N N 112.379 . 1 162 . 18 SER H H 7.601 . 1 163 . 18 SER CA C 61.764 . 1 164 . 18 SER HA H 4.268 . 1 165 . 18 SER CB C 63.195 . 1 166 . 18 SER HB2 H 4.038 . 2 167 . 18 SER HB3 H 4.016 . 2 168 . 18 SER C C 177.129 . 1 169 . 19 GLU N N 121.737 . 1 170 . 19 GLU H H 7.761 . 1 171 . 19 GLU CA C 59.617 . 1 172 . 19 GLU HA H 4.106 . 1 173 . 19 GLU CB C 29.536 . 1 174 . 19 GLU HB2 H 2.269 . 2 175 . 19 GLU HB3 H 2.359 . 2 176 . 19 GLU CG C 36.525 . 1 177 . 19 GLU HG2 H 2.352 . 2 178 . 19 GLU HG3 H 2.467 . 2 179 . 19 GLU C C 178.865 . 1 180 . 20 GLY N N 109.659 . 1 181 . 20 GLY H H 9.514 . 1 182 . 20 GLY CA C 47.629 . 1 183 . 20 GLY HA3 H 4.081 . 2 184 . 20 GLY HA2 H 3.085 . 2 185 . 20 GLY C C 175.442 . 1 186 . 21 GLU N N 120.426 . 1 187 . 21 GLU H H 8.670 . 1 188 . 21 GLU CA C 59.617 . 1 189 . 21 GLU HA H 3.190 . 1 190 . 21 GLU CB C 29.915 . 1 191 . 21 GLU HB2 H 1.911 . 2 192 . 21 GLU HB3 H 1.900 . 2 193 . 21 GLU CG C 36.714 . 1 194 . 21 GLU HG2 H 1.932 . 2 195 . 21 GLU HG3 H 2.029 . 2 196 . 21 GLU C C 179.085 . 1 197 . 22 LYS N N 118.460 . 1 198 . 22 LYS H H 7.463 . 1 199 . 22 LYS CA C 59.796 . 1 200 . 22 LYS HA H 3.878 . 1 201 . 22 LYS CB C 32.626 . 1 202 . 22 LYS HB2 H 1.918 . 2 203 . 22 LYS HB3 H 1.988 . 2 204 . 22 LYS CG C 25.442 . 1 205 . 22 LYS HG2 H 1.654 . 2 206 . 22 LYS HG3 H 1.357 . 2 207 . 22 LYS CD C 29.378 . 1 208 . 22 LYS HD2 H 1.672 . 1 209 . 22 LYS HD3 H 1.672 . 1 210 . 22 LYS CE C 42.261 . 1 211 . 22 LYS HE2 H 2.960 . 1 212 . 22 LYS HE3 H 2.960 . 1 213 . 22 LYS C C 179.686 . 1 214 . 23 ILE N N 120.988 . 1 215 . 23 ILE H H 8.306 . 1 216 . 23 ILE CA C 64.984 . 1 217 . 23 ILE HA H 3.752 . 1 218 . 23 ILE CB C 38.324 . 1 219 . 23 ILE HB H 1.812 . 1 220 . 23 ILE CG1 C 29.557 . 1 221 . 23 ILE HG12 H 1.198 . 2 222 . 23 ILE HG13 H 1.808 . 2 223 . 23 ILE CD1 C 14.170 . 1 224 . 23 ILE HD1 H 0.873 . 1 225 . 23 ILE CG2 C 18.464 . 1 226 . 23 ILE HG2 H 0.862 . 1 227 . 23 ILE C C 177.923 . 1 228 . 24 ARG N N 119.116 . 1 229 . 24 ARG H H 7.768 . 1 230 . 24 ARG CA C 56.575 . 1 231 . 24 ARG HA H 4.020 . 1 232 . 24 ARG CB C 28.305 . 1 233 . 24 ARG HB2 H 1.635 . 2 234 . 24 ARG HB3 H 1.671 . 2 235 . 24 ARG CG C 26.336 . 1 236 . 24 ARG HG2 H 1.606 . 1 237 . 24 ARG HG3 H 1.606 . 1 238 . 24 ARG CD C 41.187 . 1 239 . 24 ARG HD2 H 3.239 . 2 240 . 24 ARG HD3 H 2.804 . 2 241 . 24 ARG C C 178.343 . 1 242 . 25 LYS N N 116.775 . 1 243 . 25 LYS H H 7.379 . 1 244 . 25 LYS CA C 58.185 . 1 245 . 25 LYS HA H 3.965 . 1 246 . 25 LYS CB C 32.777 . 1 247 . 25 LYS HB2 H 1.750 . 1 248 . 25 LYS HB3 H 1.750 . 1 249 . 25 LYS CG C 25.136 . 1 250 . 25 LYS HG2 H 1.447 . 2 251 . 25 LYS HG3 H 1.321 . 2 252 . 25 LYS CD C 29.020 . 1 253 . 25 LYS HD2 H 1.576 . 1 254 . 25 LYS HD3 H 1.576 . 1 255 . 25 LYS CE C 42.261 . 1 256 . 25 LYS HE2 H 2.897 . 1 257 . 25 LYS HE3 H 2.897 . 1 258 . 25 LYS C C 177.986 . 1 259 . 26 LYS N N 118.835 . 1 260 . 26 LYS H H 7.726 . 1 261 . 26 LYS CA C 58.364 . 1 262 . 26 LYS HA H 3.814 . 1 263 . 26 LYS CB C 33.672 . 1 264 . 26 LYS HB2 H 1.218 . 2 265 . 26 LYS HB3 H 1.466 . 2 266 . 26 LYS CG C 24.905 . 1 267 . 26 LYS HG2 H 0.940 . 2 268 . 26 LYS HG3 H 0.545 . 2 269 . 26 LYS CD C 29.199 . 1 270 . 26 LYS HD2 H 1.434 . 2 271 . 26 LYS HD3 H 1.401 . 2 272 . 26 LYS CE C 42.082 . 1 273 . 26 LYS HE2 H 2.784 . 2 274 . 26 LYS HE3 H 2.804 . 2 275 . 26 LYS C C 176.350 . 1 276 . 27 TYR N N 115.183 . 1 277 . 27 TYR H H 8.045 . 1 278 . 27 TYR CA C 53.712 . 1 279 . 27 TYR HA H 5.090 . 1 280 . 27 TYR CB C 38.503 . 1 281 . 27 TYR HB2 H 2.897 . 2 282 . 27 TYR HB3 H 2.656 . 2 283 . 27 TYR CD1 C 134.054 . 3 284 . 27 TYR HD1 H 7.158 . 3 285 . 27 TYR CE1 C 117.531 . 1 286 . 27 TYR HE1 H 6.727 . 1 287 . 27 TYR CE2 C 117.531 . 1 288 . 27 TYR HE2 H 6.727 . 1 289 . 28 PRO CA C 64.805 . 1 290 . 28 PRO HA H 4.444 . 1 291 . 28 PRO CB C 31.883 . 1 292 . 28 PRO HB2 H 2.322 . 2 293 . 28 PRO HB3 H 1.936 . 2 294 . 28 PRO CG C 27.231 . 1 295 . 28 PRO HG2 H 1.919 . 2 296 . 28 PRO HG3 H 1.933 . 2 297 . 28 PRO CD C 49.955 . 1 298 . 28 PRO HD2 H 3.618 . 2 299 . 28 PRO HD3 H 3.287 . 2 300 . 28 PRO C C 177.043 . 1 301 . 29 ASP N N 115.277 . 1 302 . 29 ASP H H 8.561 . 1 303 . 29 ASP CA C 53.349 . 1 304 . 29 ASP HA H 4.670 . 1 305 . 29 ASP CB C 40.407 . 1 306 . 29 ASP HB2 H 2.857 . 2 307 . 29 ASP HB3 H 2.667 . 2 308 . 29 ASP C C 175.581 . 1 309 . 30 ARG N N 119.209 . 1 310 . 30 ARG H H 7.802 . 1 311 . 30 ARG CA C 53.891 . 1 312 . 30 ARG HA H 4.902 . 1 313 . 30 ARG CB C 34.209 . 1 314 . 30 ARG HB2 H 1.424 . 2 315 . 30 ARG HB3 H 1.130 . 2 316 . 30 ARG CG C 27.417 . 1 317 . 30 ARG HG2 H 1.423 . 2 318 . 30 ARG HG3 H 1.292 . 2 319 . 30 ARG CD C 43.513 . 1 320 . 30 ARG HD2 H 2.677 . 2 321 . 30 ARG HD3 H 2.452 . 2 322 . 30 ARG C C 174.403 . 1 323 . 31 VAL N N 116.307 . 1 324 . 31 VAL H H 9.141 . 1 325 . 31 VAL CA C 57.291 . 1 326 . 31 VAL HA H 4.154 . 1 327 . 31 VAL CB C 33.678 . 1 328 . 31 VAL HB H 1.385 . 1 329 . 31 VAL CG2 C 18.822 . 2 330 . 31 VAL HG2 H 0.403 . 2 331 . 31 VAL CG1 C 21.863 . 2 332 . 31 VAL HG1 H 0.366 . 2 333 . 32 PRO CA C 61.227 . 1 334 . 32 PRO HA H 5.117 . 1 335 . 32 PRO CB C 31.346 . 1 336 . 32 PRO HB2 H 1.588 . 2 337 . 32 PRO HB3 H 1.859 . 2 338 . 32 PRO CG C 26.515 . 1 339 . 32 PRO HG2 H 1.427 . 2 340 . 32 PRO HG3 H 2.520 . 2 341 . 32 PRO CD C 50.491 . 1 342 . 32 PRO HD2 H 3.352 . 2 343 . 32 PRO HD3 H 3.376 . 2 344 . 32 PRO C C 174.943 . 1 345 . 33 VAL N N 123.610 . 1 346 . 33 VAL H H 8.906 . 1 347 . 33 VAL CA C 59.438 . 1 348 . 33 VAL HA H 5.108 . 1 349 . 33 VAL CB C 36.177 . 1 350 . 33 VAL HB H 1.747 . 1 351 . 33 VAL CG2 C 22.548 . 2 352 . 33 VAL HG2 H 0.587 . 2 353 . 33 VAL CG1 C 22.289 . 2 354 . 33 VAL HG1 H 0.640 . 2 355 . 33 VAL C C 173.976 . 1 356 . 34 ILE N N 128.010 . 1 357 . 34 ILE H H 8.783 . 1 358 . 34 ILE CA C 57.112 . 1 359 . 34 ILE HA H 4.921 . 1 360 . 34 ILE CB C 36.714 . 1 361 . 34 ILE HB H 1.274 . 1 362 . 34 ILE CG1 C 25.979 . 1 363 . 34 ILE HG12 H 0.112 . 2 364 . 34 ILE HG13 H 0.533 . 2 365 . 34 ILE CD1 C 8.623 . 1 366 . 34 ILE HD1 H -0.566 . 1 367 . 34 ILE CG2 C 17.390 . 1 368 . 34 ILE HG2 H 0.653 . 1 369 . 34 ILE C C 174.837 . 1 370 . 35 VAL N N 126.699 . 1 371 . 35 VAL H H 9.128 . 1 372 . 35 VAL CA C 60.153 . 1 373 . 35 VAL HA H 5.717 . 1 374 . 35 VAL CB C 34.030 . 1 375 . 35 VAL HB H 2.044 . 1 376 . 35 VAL CG2 C 22.400 . 2 377 . 35 VAL HG2 H 0.825 . 2 378 . 35 VAL CG1 C 22.758 . 2 379 . 35 VAL HG1 H 0.894 . 2 380 . 35 VAL C C 175.741 . 1 381 . 36 GLU N N 121.550 . 1 382 . 36 GLU H H 8.691 . 1 383 . 36 GLU CA C 54.786 . 1 384 . 36 GLU HA H 4.966 . 1 385 . 36 GLU CB C 36.356 . 1 386 . 36 GLU HB2 H 1.893 . 2 387 . 36 GLU HB3 H 2.279 . 2 388 . 36 GLU CG C 38.861 . 1 389 . 36 GLU HG2 H 2.596 . 1 390 . 36 GLU HG3 H 2.596 . 1 391 . 36 GLU C C 174.387 . 1 392 . 37 LYS N N 123.516 . 1 393 . 37 LYS H H 8.852 . 1 394 . 37 LYS CA C 56.217 . 1 395 . 37 LYS HA H 3.064 . 1 396 . 37 LYS CB C 32.957 . 1 397 . 37 LYS HB2 H 1.564 . 1 398 . 37 LYS HB3 H 1.564 . 1 399 . 37 LYS CG C 23.324 . 1 400 . 37 LYS HG2 H 0.860 . 2 401 . 37 LYS HG3 H 1.663 . 2 402 . 37 LYS CD C 29.277 . 1 403 . 37 LYS HD2 H 1.488 . 1 404 . 37 LYS HD3 H 1.488 . 1 405 . 37 LYS CE C 41.702 . 1 406 . 37 LYS HE2 H 3.003 . 1 407 . 37 LYS HE3 H 3.003 . 1 408 . 37 LYS C C 176.959 . 1 409 . 38 ALA N N 130.351 . 1 410 . 38 ALA H H 8.901 . 1 411 . 38 ALA CA C 50.849 . 1 412 . 38 ALA HA H 4.417 . 1 413 . 38 ALA CB C 17.927 . 1 414 . 38 ALA HB H 1.206 . 1 415 . 39 PRO CA C 65.163 . 1 416 . 39 PRO HA H 4.225 . 1 417 . 39 PRO CB C 32.241 . 1 418 . 39 PRO HB2 H 2.321 . 2 419 . 39 PRO HB3 H 1.821 . 2 420 . 39 PRO CG C 27.768 . 1 421 . 39 PRO HG2 H 2.009 . 2 422 . 39 PRO HG3 H 2.014 . 2 423 . 39 PRO CD C 50.491 . 1 424 . 39 PRO HD2 H 3.364 . 2 425 . 39 PRO HD3 H 3.851 . 2 426 . 39 PRO C C 177.706 . 1 427 . 40 LYS N N 114.434 . 1 428 . 40 LYS H H 8.440 . 1 429 . 40 LYS CA C 56.754 . 1 430 . 40 LYS HA H 4.048 . 1 431 . 40 LYS CB C 31.346 . 1 432 . 40 LYS HB2 H 1.816 . 2 433 . 40 LYS HB3 H 1.852 . 2 434 . 40 LYS CG C 25.442 . 1 435 . 40 LYS HG2 H 1.301 . 1 436 . 40 LYS HG3 H 1.301 . 1 437 . 40 LYS CD C 27.708 . 1 438 . 40 LYS HD2 H 1.577 . 1 439 . 40 LYS HD3 H 1.577 . 1 440 . 40 LYS CE C 42.261 . 1 441 . 40 LYS HE2 H 2.891 . 1 442 . 40 LYS HE3 H 2.891 . 1 443 . 40 LYS C C 176.386 . 1 444 . 41 ALA N N 122.112 . 1 445 . 41 ALA H H 7.464 . 1 446 . 41 ALA CA C 52.832 . 1 447 . 41 ALA HA H 4.489 . 1 448 . 41 ALA CB C 20.790 . 1 449 . 41 ALA HB H 1.600 . 1 450 . 41 ALA C C 178.561 . 1 451 . 42 ARG N N 124.920 . 1 452 . 42 ARG H H 9.165 . 1 453 . 42 ARG CA C 56.038 . 1 454 . 42 ARG HA H 4.478 . 1 455 . 42 ARG CB C 29.510 . 1 456 . 42 ARG HB2 H 1.895 . 2 457 . 42 ARG HB3 H 2.009 . 2 458 . 42 ARG CG C 27.465 . 1 459 . 42 ARG HG2 H 1.684 . 2 460 . 42 ARG HG3 H 1.756 . 2 461 . 42 ARG CD C 43.514 . 1 462 . 42 ARG HD2 H 3.187 . 2 463 . 42 ARG HD3 H 3.287 . 2 464 . 42 ARG C C 175.784 . 1 465 . 43 ILE N N 115.183 . 1 466 . 43 ILE H H 6.929 . 1 467 . 43 ILE CA C 60.332 . 1 468 . 43 ILE HA H 4.444 . 1 469 . 43 ILE CB C 40.651 . 1 470 . 43 ILE HB H 2.069 . 1 471 . 43 ILE CG1 C 27.052 . 1 472 . 43 ILE HG12 H 1.755 . 2 473 . 43 ILE HG13 H 1.436 . 2 474 . 43 ILE CD1 C 15.601 . 1 475 . 43 ILE HD1 H 1.128 . 1 476 . 43 ILE CG2 C 18.285 . 1 477 . 43 ILE HG2 H 1.105 . 1 478 . 43 ILE C C 173.866 . 1 479 . 44 GLY N N 107.787 . 1 480 . 44 GLY H H 8.298 . 1 481 . 44 GLY CA C 45.660 . 1 482 . 44 GLY HA3 H 4.090 . 2 483 . 44 GLY HA2 H 3.871 . 2 484 . 44 GLY C C 172.744 . 1 485 . 45 ASP N N 118.741 . 1 486 . 45 ASP H H 8.307 . 1 487 . 45 ASP CA C 54.126 . 1 488 . 45 ASP HA H 4.778 . 1 489 . 45 ASP CB C 42.996 . 1 490 . 45 ASP HB2 H 2.527 . 2 491 . 45 ASP HB3 H 2.745 . 2 492 . 45 ASP C C 175.693 . 1 493 . 46 LEU N N 123.329 . 1 494 . 46 LEU H H 8.120 . 1 495 . 46 LEU CA C 54.249 . 1 496 . 46 LEU HA H 4.415 . 1 497 . 46 LEU CB C 44.766 . 1 498 . 46 LEU HB2 H 1.826 . 1 499 . 46 LEU HB3 H 1.826 . 1 500 . 46 LEU CG C 26.873 . 1 501 . 46 LEU HG H 1.846 . 1 502 . 46 LEU CD1 C 25.654 . 1 503 . 46 LEU HD1 H 0.974 . 2 504 . 46 LEU CD2 C 25.654 . 1 505 . 46 LEU HD2 H 0.897 . 2 506 . 46 LEU C C 176.825 . 1 507 . 47 ASP N N 122.299 . 1 508 . 47 ASP H H 8.688 . 1 509 . 47 ASP CA C 55.501 . 1 510 . 47 ASP HA H 4.398 . 1 511 . 47 ASP CB C 40.114 . 1 512 . 47 ASP HB2 H 2.799 . 1 513 . 47 ASP HB3 H 2.799 . 1 514 . 47 ASP C C 175.501 . 1 515 . 48 LYS N N 120.426 . 1 516 . 48 LYS H H 7.440 . 1 517 . 48 LYS CA C 55.420 . 1 518 . 48 LYS HA H 4.505 . 1 519 . 48 LYS CB C 34.567 . 1 520 . 48 LYS HB2 H 1.638 . 1 521 . 48 LYS HB3 H 1.638 . 1 522 . 48 LYS CG C 24.368 . 1 523 . 48 LYS HG2 H 0.731 . 2 524 . 48 LYS HG3 H 1.150 . 2 525 . 48 LYS CD C 29.536 . 1 526 . 48 LYS HD2 H 1.402 . 2 527 . 48 LYS HD3 H 1.498 . 2 528 . 48 LYS CE C 42.219 . 1 529 . 48 LYS HE2 H 2.599 . 2 530 . 48 LYS HE3 H 2.695 . 2 531 . 48 LYS C C 174.990 . 1 532 . 49 LYS N N 123.709 . 1 533 . 49 LYS H H 8.653 . 1 534 . 49 LYS CA C 56.933 . 1 535 . 49 LYS HA H 5.027 . 1 536 . 49 LYS CB C 34.925 . 1 537 . 49 LYS HB2 H 2.148 . 2 538 . 49 LYS HB3 H 1.940 . 2 539 . 49 LYS CG C 25.263 . 1 540 . 49 LYS HG2 H 1.726 . 2 541 . 49 LYS HG3 H 1.591 . 2 542 . 49 LYS CD C 30.094 . 1 543 . 49 LYS HD2 H 2.008 . 1 544 . 49 LYS HD3 H 2.008 . 1 545 . 49 LYS CE C 42.798 . 1 546 . 49 LYS HE2 H 3.239 . 1 547 . 49 LYS HE3 H 3.239 . 1 548 . 49 LYS C C 174.091 . 1 549 . 50 LYS N N 119.397 . 1 550 . 50 LYS H H 6.981 . 1 551 . 50 LYS CA C 55.322 . 1 552 . 50 LYS HA H 5.104 . 1 553 . 50 LYS CB C 34.388 . 1 554 . 50 LYS HB2 H 1.229 . 2 555 . 50 LYS HB3 H 1.631 . 2 556 . 50 LYS CG C 24.368 . 1 557 . 50 LYS HG2 H 1.007 . 2 558 . 50 LYS HG3 H 1.192 . 2 559 . 50 LYS CD C 29.736 . 1 560 . 50 LYS HD2 H 1.586 . 2 561 . 50 LYS HD3 H 1.548 . 2 562 . 50 LYS CE C 41.187 . 1 563 . 50 LYS HE2 H 2.766 . 1 564 . 50 LYS HE3 H 2.766 . 1 565 . 50 LYS C C 174.826 . 1 566 . 51 TYR N N 125.108 . 1 567 . 51 TYR H H 9.510 . 1 568 . 51 TYR CA C 57.291 . 1 569 . 51 TYR HA H 4.465 . 1 570 . 51 TYR CB C 42.440 . 1 571 . 51 TYR HB2 H 2.648 . 2 572 . 51 TYR HB3 H 2.824 . 2 573 . 51 TYR CD1 C 133.039 . 1 574 . 51 TYR HD1 H 7.055 . 1 575 . 51 TYR CE1 C 118.545 . 1 576 . 51 TYR HE1 H 6.609 . 1 577 . 51 TYR CE2 C 118.545 . 1 578 . 51 TYR HE2 H 6.609 . 1 579 . 51 TYR CD2 C 133.039 . 1 580 . 51 TYR HD2 H 7.055 . 1 581 . 51 TYR C C 173.872 . 1 582 . 52 LEU N N 124.920 . 1 583 . 52 LEU H H 8.597 . 1 584 . 52 LEU CA C 54.008 . 1 585 . 52 LEU HA H 4.847 . 1 586 . 52 LEU CB C 42.463 . 1 587 . 52 LEU HB2 H 1.323 . 2 588 . 52 LEU HB3 H 1.251 . 2 589 . 52 LEU CG C 27.589 . 1 590 . 52 LEU HG H 1.075 . 1 591 . 52 LEU CD1 C 24.189 . 2 592 . 52 LEU HD1 H 0.488 . 2 593 . 52 LEU CD2 C 25.084 . 2 594 . 52 LEU HD2 H 0.428 . 2 595 . 52 LEU C C 176.545 . 1 596 . 53 VAL N N 121.363 . 1 597 . 53 VAL H H 8.405 . 1 598 . 53 VAL CA C 58.543 . 1 599 . 53 VAL HA H 4.806 . 1 600 . 53 VAL CB C 33.315 . 1 601 . 53 VAL HB H 1.958 . 1 602 . 53 VAL CG2 C 22.221 . 2 603 . 53 VAL HG2 H 0.846 . 2 604 . 53 VAL CG1 C 20.432 . 2 605 . 53 VAL HG1 H 0.563 . 2 606 . 54 PRO CA C 63.732 . 1 607 . 54 PRO HA H 4.477 . 1 608 . 54 PRO CB C 32.599 . 1 609 . 54 PRO HB2 H 1.993 . 2 610 . 54 PRO HB3 H 2.548 . 2 611 . 54 PRO CG C 28.305 . 1 612 . 54 PRO HG2 H 2.239 . 2 613 . 54 PRO HG3 H 1.900 . 2 614 . 54 PRO CD C 51.386 . 1 615 . 54 PRO HD2 H 3.543 . 2 616 . 54 PRO HD3 H 3.993 . 2 617 . 54 PRO C C 177.443 . 1 618 . 55 SER N N 118.179 . 1 619 . 55 SER H H 8.352 . 1 620 . 55 SER CA C 61.048 . 1 621 . 55 SER HA H 3.695 . 1 622 . 55 SER CB C 63.195 . 1 623 . 55 SER HB2 H 3.648 . 2 624 . 55 SER HB3 H 3.721 . 2 625 . 55 SER C C 174.703 . 1 626 . 56 ASP N N 115.371 . 1 627 . 56 ASP H H 8.262 . 1 628 . 56 ASP CA C 53.608 . 1 629 . 56 ASP HA H 4.538 . 1 630 . 56 ASP CB C 40.278 . 1 631 . 56 ASP HB2 H 2.688 . 2 632 . 56 ASP HB3 H 2.789 . 2 633 . 56 ASP C C 176.207 . 1 634 . 57 LEU N N 123.610 . 1 635 . 57 LEU H H 7.449 . 1 636 . 57 LEU CA C 55.680 . 1 637 . 57 LEU HA H 4.271 . 1 638 . 57 LEU CB C 43.772 . 1 639 . 57 LEU HB2 H 1.483 . 2 640 . 57 LEU HB3 H 1.709 . 2 641 . 57 LEU CG C 26.694 . 1 642 . 57 LEU HG H 2.023 . 1 643 . 57 LEU CD1 C 26.694 . 2 644 . 57 LEU HD1 H 0.887 . 2 645 . 57 LEU CD2 C 25.263 . 2 646 . 57 LEU HD2 H 0.991 . 2 647 . 57 LEU C C 177.127 . 1 648 . 58 THR N N 116.588 . 1 649 . 58 THR H H 8.726 . 1 650 . 58 THR CA C 61.048 . 1 651 . 58 THR HA H 4.990 . 1 652 . 58 THR CB C 71.605 . 1 653 . 58 THR HB H 4.816 . 1 654 . 58 THR CG2 C 22.221 . 1 655 . 58 THR HG2 H 1.265 . 1 656 . 58 THR C C 176.356 . 1 657 . 59 VAL N N 123.048 . 1 658 . 59 VAL H H 9.111 . 1 659 . 59 VAL CA C 66.774 . 1 660 . 59 VAL HA H 3.679 . 1 661 . 59 VAL CB C 31.704 . 1 662 . 59 VAL HB H 2.386 . 1 663 . 59 VAL CG2 C 25.084 . 2 664 . 59 VAL HG2 H 0.955 . 2 665 . 59 VAL HG1 H 0.858 . 2 666 . 59 VAL C C 178.824 . 1 667 . 60 GLY N N 105.353 . 1 668 . 60 GLY H H 8.925 . 1 669 . 60 GLY CA C 47.808 . 1 670 . 60 GLY HA3 H 4.088 . 2 671 . 60 GLY HA2 H 3.932 . 2 672 . 60 GLY C C 176.417 . 1 673 . 61 GLN N N 121.550 . 1 674 . 61 GLN H H 8.110 . 1 675 . 61 GLN CA C 58.901 . 1 676 . 61 GLN HA H 4.274 . 1 677 . 61 GLN CB C 29.020 . 1 678 . 61 GLN HB2 H 2.100 . 2 679 . 61 GLN HB3 H 2.539 . 2 680 . 61 GLN CG C 35.283 . 1 681 . 61 GLN HG2 H 2.488 . 1 682 . 61 GLN HG3 H 2.488 . 1 683 . 61 GLN NE2 N 113.403 . 1 684 . 61 GLN HE21 H 7.531 . 2 685 . 61 GLN HE22 H 6.814 . 2 686 . 61 GLN C C 179.378 . 1 687 . 62 PHE N N 125.482 . 1 688 . 62 PHE H H 8.870 . 1 689 . 62 PHE CA C 61.406 . 1 690 . 62 PHE HA H 4.456 . 1 691 . 62 PHE CB C 39.372 . 1 692 . 62 PHE HB2 H 3.264 . 2 693 . 62 PHE HB3 H 3.131 . 2 694 . 62 PHE CD1 C 131.445 . 1 695 . 62 PHE HD1 H 6.891 . 1 696 . 62 PHE CE1 C 130.285 . 1 697 . 62 PHE HE1 H 6.513 . 1 698 . 62 PHE CZ C 128.691 . 1 699 . 62 PHE HZ H 6.249 . 1 700 . 62 PHE CE2 C 130.285 . 1 701 . 62 PHE HE2 H 6.513 . 1 702 . 62 PHE CD2 C 131.445 . 1 703 . 62 PHE HD2 H 6.891 . 1 704 . 62 PHE C C 177.602 . 1 705 . 63 TYR N N 118.648 . 1 706 . 63 TYR H H 9.123 . 1 707 . 63 TYR CA C 61.585 . 1 708 . 63 TYR HA H 3.937 . 1 709 . 63 TYR CB C 38.146 . 1 710 . 63 TYR HB2 H 2.741 . 2 711 . 63 TYR HB3 H 3.093 . 2 712 . 63 TYR CD1 C 132.025 . 1 713 . 63 TYR HD1 H 6.301 . 1 714 . 63 TYR CE1 C 118.111 . 1 715 . 63 TYR HE1 H 6.131 . 1 716 . 63 TYR CE2 C 118.111 . 1 717 . 63 TYR HE2 H 6.131 . 1 718 . 63 TYR CD2 C 132.025 . 1 719 . 63 TYR HD2 H 6.301 . 1 720 . 63 TYR C C 178.137 . 1 721 . 64 PHE N N 116.962 . 1 722 . 64 PHE H H 7.369 . 1 723 . 64 PHE CA C 61.943 . 1 724 . 64 PHE HA H 4.028 . 1 725 . 64 PHE CB C 38.854 . 1 726 . 64 PHE HB2 H 3.184 . 2 727 . 64 PHE HB3 H 3.289 . 2 728 . 64 PHE CD1 C 131.735 . 1 729 . 64 PHE HD1 H 7.337 . 1 730 . 64 PHE CD2 C 131.735 . 1 731 . 64 PHE HD2 H 7.337 . 1 732 . 64 PHE C C 177.469 . 1 733 . 65 LEU N N 120.239 . 1 734 . 65 LEU H H 7.573 . 1 735 . 65 LEU CA C 58.543 . 1 736 . 65 LEU HA H 3.935 . 1 737 . 65 LEU CB C 42.082 . 1 738 . 65 LEU HB2 H 1.628 . 2 739 . 65 LEU HB3 H 1.808 . 2 740 . 65 LEU CG C 27.231 . 1 741 . 65 LEU HG H 1.798 . 1 742 . 65 LEU CD1 C 25.621 . 2 743 . 65 LEU HD1 H 1.007 . 2 744 . 65 LEU CD2 C 24.010 . 2 745 . 65 LEU HD2 H 0.840 . 2 746 . 65 LEU C C 179.474 . 1 747 . 66 ILE N N 119.677 . 1 748 . 66 ILE H H 7.820 . 1 749 . 66 ILE CA C 61.585 . 1 750 . 66 ILE HA H 3.428 . 1 751 . 66 ILE CB C 34.746 . 1 752 . 66 ILE HB H 1.775 . 1 753 . 66 ILE CG1 C 26.515 . 1 754 . 66 ILE HG12 H 0.434 . 2 755 . 66 ILE HG13 H 0.693 . 2 756 . 66 ILE CD1 C 7.728 . 1 757 . 66 ILE HD1 H -0.121 . 1 758 . 66 ILE CG2 C 17.569 . 1 759 . 66 ILE HG2 H 0.356 . 1 760 . 66 ILE C C 177.800 . 1 761 . 67 ARG N N 118.741 . 1 762 . 67 ARG H H 8.536 . 1 763 . 67 ARG CA C 60.690 . 1 764 . 67 ARG HA H 3.397 . 1 765 . 67 ARG CB C 30.452 . 1 766 . 67 ARG HB2 H 1.626 . 1 767 . 67 ARG HB3 H 1.626 . 1 768 . 67 ARG CG C 29.736 . 1 769 . 67 ARG HG2 H 1.558 . 2 770 . 67 ARG HG3 H 1.171 . 2 771 . 67 ARG CD C 43.155 . 1 772 . 67 ARG HD2 H 2.815 . 1 773 . 67 ARG HD3 H 2.815 . 1 774 . 67 ARG C C 178.535 . 1 775 . 68 LYS N N 115.558 . 1 776 . 68 LYS H H 7.345 . 1 777 . 68 LYS CA C 58.543 . 1 778 . 68 LYS HA H 3.996 . 1 779 . 68 LYS CB C 32.241 . 1 780 . 68 LYS HB2 H 1.755 . 1 781 . 68 LYS HB3 H 1.755 . 1 782 . 68 LYS CG C 24.905 . 1 783 . 68 LYS HG2 H 1.366 . 2 784 . 68 LYS HG3 H 1.312 . 2 785 . 68 LYS CD C 29.199 . 1 786 . 68 LYS HD2 H 1.585 . 2 787 . 68 LYS HD3 H 1.582 . 2 788 . 68 LYS CE C 42.082 . 1 789 . 68 LYS HE2 H 2.873 . 2 790 . 68 LYS HE3 H 2.886 . 2 791 . 68 LYS C C 179.393 . 1 792 . 69 ARG N N 118.835 . 1 793 . 69 ARG H H 7.528 . 1 794 . 69 ARG CA C 58.543 . 1 795 . 69 ARG HA H 4.011 . 1 796 . 69 ARG CB C 30.810 . 1 797 . 69 ARG HB2 H 1.903 . 2 798 . 69 ARG HB3 H 1.827 . 2 799 . 69 ARG CG C 28.126 . 1 800 . 69 ARG HG2 H 1.891 . 2 801 . 69 ARG HG3 H 1.694 . 2 802 . 69 ARG CD C 43.334 . 1 803 . 69 ARG HD2 H 3.279 . 1 804 . 69 ARG HD3 H 3.279 . 1 805 . 69 ARG C C 177.883 . 1 806 . 70 ILE N N 112.468 . 1 807 . 70 ILE H H 7.492 . 1 808 . 70 ILE CA C 61.585 . 1 809 . 70 ILE HA H 4.183 . 1 810 . 70 ILE CB C 38.682 . 1 811 . 70 ILE HB H 1.748 . 1 812 . 70 ILE CG1 C 27.052 . 1 813 . 70 ILE HG12 H 0.949 . 2 814 . 70 ILE HG13 H 1.318 . 2 815 . 70 ILE CD1 C 15.064 . 1 816 . 70 ILE HD1 H 0.460 . 1 817 . 70 ILE CG2 C 18.285 . 1 818 . 70 ILE HG2 H 0.734 . 1 819 . 70 ILE C C 174.981 . 1 820 . 71 HIS N N 115.839 . 1 821 . 71 HIS H H 7.500 . 1 822 . 71 HIS CA C 56.575 . 1 823 . 71 HIS HA H 4.214 . 1 824 . 71 HIS CB C 26.336 . 1 825 . 71 HIS HB2 H 3.281 . 2 826 . 71 HIS HB3 H 3.460 . 2 827 . 71 HIS CD2 C 120.285 . 1 828 . 71 HIS HD2 H 7.129 . 2 829 . 71 HIS C C 174.776 . 1 830 . 72 LEU N N 119.303 . 1 831 . 72 LEU H H 7.804 . 1 832 . 72 LEU CA C 54.786 . 1 833 . 72 LEU HA H 4.484 . 1 834 . 72 LEU CB C 43.334 . 1 835 . 72 LEU HB2 H 1.370 . 2 836 . 72 LEU HB3 H 1.686 . 2 837 . 72 LEU CG C 26.873 . 1 838 . 72 LEU HG H 1.696 . 1 839 . 72 LEU CD1 C 26.687 . 2 840 . 72 LEU HD1 H 0.840 . 2 841 . 72 LEU CD2 C 23.832 . 2 842 . 72 LEU HD2 H 0.889 . 2 843 . 72 LEU C C 178.102 . 1 844 . 73 ARG N N 123.422 . 1 845 . 73 ARG H H 9.123 . 1 846 . 73 ARG CA C 55.501 . 1 847 . 73 ARG HA H 4.364 . 1 848 . 73 ARG CB C 30.989 . 1 849 . 73 ARG HB2 H 1.668 . 2 850 . 73 ARG HB3 H 2.111 . 2 851 . 73 ARG CG C 27.231 . 1 852 . 73 ARG HG2 H 1.764 . 1 853 . 73 ARG HG3 H 1.764 . 1 854 . 73 ARG CD C 43.513 . 1 855 . 73 ARG HD2 H 3.235 . 2 856 . 73 ARG HD3 H 3.280 . 2 857 . 73 ARG C C 178.151 . 1 858 . 74 ALA N N 124.827 . 1 859 . 74 ALA H H 8.767 . 1 860 . 74 ALA CA C 55.680 . 1 861 . 74 ALA HA H 3.861 . 1 862 . 74 ALA CB C 18.464 . 1 863 . 74 ALA HB H 1.393 . 1 864 . 74 ALA C C 178.952 . 1 865 . 75 GLU N N 112.000 . 1 866 . 75 GLU H H 8.804 . 1 867 . 75 GLU CA C 57.469 . 1 868 . 75 GLU HA H 4.098 . 1 869 . 75 GLU CB C 29.199 . 1 870 . 75 GLU HB2 H 1.985 . 2 871 . 75 GLU HB3 H 2.019 . 2 872 . 75 GLU CG C 36.347 . 1 873 . 75 GLU HG2 H 2.207 . 1 874 . 75 GLU HG3 H 2.207 . 1 875 . 75 GLU C C 176.679 . 1 876 . 76 ASP N N 121.456 . 1 877 . 76 ASP H H 7.473 . 1 878 . 76 ASP CA C 54.786 . 1 879 . 76 ASP HA H 4.636 . 1 880 . 76 ASP CB C 42.478 . 1 881 . 76 ASP HB2 H 2.842 . 2 882 . 76 ASP HB3 H 2.758 . 2 883 . 76 ASP C C 175.354 . 1 884 . 77 ALA N N 126.980 . 1 885 . 77 ALA H H 8.477 . 1 886 . 77 ALA CA C 52.314 . 1 887 . 77 ALA HA H 4.036 . 1 888 . 77 ALA CB C 20.790 . 1 889 . 77 ALA HB H 1.419 . 1 890 . 77 ALA C C 175.150 . 1 891 . 78 LEU N N 116.962 . 1 892 . 78 LEU H H 6.966 . 1 893 . 78 LEU CA C 54.965 . 1 894 . 78 LEU HA H 4.544 . 1 895 . 78 LEU CB C 44.766 . 1 896 . 78 LEU HB2 H 1.100 . 1 897 . 78 LEU HB3 H 1.100 . 1 898 . 78 LEU CG C 27.231 . 1 899 . 78 LEU HG H 1.093 . 1 900 . 78 LEU CD1 C 27.407 . 2 901 . 78 LEU HD1 H 0.444 . 2 902 . 78 LEU CD2 C 24.726 . 2 903 . 78 LEU HD2 H 0.809 . 2 904 . 78 LEU C C 173.311 . 1 905 . 79 PHE N N 123.709 . 1 906 . 79 PHE H H 9.166 . 1 907 . 79 PHE CA C 57.291 . 1 908 . 79 PHE HA H 4.700 . 1 909 . 79 PHE CB C 42.996 . 1 910 . 79 PHE HB2 H 2.612 . 2 911 . 79 PHE HB3 H 2.528 . 2 912 . 79 PHE CD1 C 132.459 . 1 913 . 79 PHE HD1 H 6.909 . 1 914 . 79 PHE HE1 H 7.223 . 1 915 . 79 PHE HE2 H 7.223 . 1 916 . 79 PHE CD2 C 132.459 . 1 917 . 79 PHE HD2 H 6.909 . 1 918 . 79 PHE C C 174.262 . 1 919 . 80 PHE N N 119.865 . 1 920 . 80 PHE H H 7.872 . 1 921 . 80 PHE CA C 52.281 . 1 922 . 80 PHE HA H 6.001 . 1 923 . 80 PHE CB C 41.702 . 1 924 . 80 PHE HB2 H 2.822 . 2 925 . 80 PHE HB3 H 2.922 . 2 926 . 80 PHE CD1 C 129.850 . 1 927 . 80 PHE HD1 H 6.807 . 1 928 . 80 PHE CE1 C 129.850 . 1 929 . 80 PHE HE1 H 6.658 . 1 930 . 80 PHE CZ C 128.691 . 1 931 . 80 PHE HZ H 6.400 . 1 932 . 80 PHE CE2 C 129.850 . 1 933 . 80 PHE HE2 H 6.658 . 1 934 . 80 PHE CD2 C 129.850 . 1 935 . 80 PHE HD2 H 6.807 . 1 936 . 80 PHE C C 173.753 . 1 937 . 81 PHE N N 112.281 . 1 938 . 81 PHE H H 9.092 . 1 939 . 81 PHE CA C 56.396 . 1 940 . 81 PHE HA H 5.084 . 1 941 . 81 PHE CB C 43.692 . 1 942 . 81 PHE HB2 H 2.782 . 2 943 . 81 PHE HB3 H 2.663 . 2 944 . 81 PHE CD1 C 131.590 . 1 945 . 81 PHE HD1 H 6.903 . 1 946 . 81 PHE HE1 H 7.194 . 1 947 . 81 PHE HE2 H 7.194 . 1 948 . 81 PHE CD2 C 131.590 . 1 949 . 81 PHE HD2 H 6.903 . 1 950 . 81 PHE C C 175.731 . 1 951 . 82 VAL N N 122.018 . 1 952 . 82 VAL H H 9.349 . 1 953 . 82 VAL CA C 60.153 . 1 954 . 82 VAL HA H 4.550 . 1 955 . 82 VAL CB C 34.209 . 1 956 . 82 VAL HB H 1.717 . 1 957 . 82 VAL CG2 C 21.684 . 2 958 . 82 VAL HG2 H 0.828 . 2 959 . 82 VAL CG1 C 20.790 . 2 960 . 82 VAL HG1 H 0.635 . 2 961 . 82 VAL C C 175.388 . 1 962 . 83 ASN N N 126.325 . 1 963 . 83 ASN H H 9.845 . 1 964 . 83 ASN CA C 55.322 . 1 965 . 83 ASN HA H 4.324 . 1 966 . 83 ASN CB C 37.788 . 1 967 . 83 ASN HB2 H 2.698 . 2 968 . 83 ASN HB3 H 3.017 . 2 969 . 83 ASN ND2 N 117.451 . 1 970 . 83 ASN HD21 H 9.010 . 2 971 . 83 ASN HD22 H 7.237 . 2 972 . 83 ASN C C 174.669 . 1 973 . 84 ASN N N 106.851 . 1 974 . 84 ASN H H 8.165 . 1 975 . 84 ASN CA C 55.859 . 1 976 . 84 ASN HA H 4.058 . 1 977 . 84 ASN CB C 38.324 . 1 978 . 84 ASN HB2 H 3.035 . 1 979 . 84 ASN HB3 H 3.035 . 1 980 . 84 ASN CG C 177.978 . 1 981 . 84 ASN ND2 N 111.686 . 1 982 . 84 ASN HD21 H 7.386 . 2 983 . 84 ASN HD22 H 6.655 . 2 984 . 84 ASN C C 173.821 . 1 985 . 85 VAL N N 118.928 . 1 986 . 85 VAL H H 8.185 . 1 987 . 85 VAL CA C 60.869 . 1 988 . 85 VAL HA H 4.685 . 1 989 . 85 VAL CB C 35.283 . 1 990 . 85 VAL HB H 2.203 . 1 991 . 85 VAL CG2 C 20.074 . 1 992 . 85 VAL HG2 H 0.972 . 1 993 . 85 VAL CG1 C 20.074 . 1 994 . 85 VAL HG1 H 0.972 . 1 995 . 85 VAL C C 174.792 . 1 996 . 86 ILE N N 127.177 . 1 997 . 86 ILE H H 8.496 . 1 998 . 86 ILE CA C 58.543 . 1 999 . 86 ILE HA H 5.196 . 1 1000 . 86 ILE CB C 39.040 . 1 1001 . 86 ILE HB H 1.759 . 1 1002 . 86 ILE CG1 C 27.410 . 1 1003 . 86 ILE HG12 H 0.800 . 2 1004 . 86 ILE HG13 H 1.537 . 2 1005 . 86 ILE CD1 C 13.633 . 1 1006 . 86 ILE HD1 H 0.814 . 1 1007 . 86 ILE CG2 C 17.032 . 1 1008 . 86 ILE HG2 H 1.152 . 1 1009 . 87 PRO CA C 60.869 . 1 1010 . 87 PRO HA H 4.845 . 1 1011 . 87 PRO CB C 31.704 . 1 1012 . 87 PRO HB2 H 1.999 . 2 1013 . 87 PRO HB3 H 2.168 . 2 1014 . 87 PRO CG C 26.515 . 1 1015 . 87 PRO HG2 H 2.128 . 2 1016 . 87 PRO HG3 H 1.750 . 2 1017 . 87 PRO CD C 50.849 . 1 1018 . 87 PRO HD2 H 4.086 . 2 1019 . 87 PRO HD3 H 3.941 . 2 1020 . 88 PRO CA C 62.300 . 1 1021 . 88 PRO HA H 4.735 . 1 1022 . 88 PRO CB C 32.062 . 1 1023 . 88 PRO HB2 H 2.454 . 2 1024 . 88 PRO HB3 H 2.041 . 2 1025 . 88 PRO CG C 27.768 . 1 1026 . 88 PRO HG2 H 2.185 . 1 1027 . 88 PRO HG3 H 2.185 . 1 1028 . 88 PRO CD C 50.491 . 1 1029 . 88 PRO HD2 H 3.576 . 2 1030 . 88 PRO HD3 H 3.968 . 2 1031 . 88 PRO C C 178.375 . 1 1032 . 89 THR N N 113.535 . 1 1033 . 89 THR H H 8.593 . 1 1034 . 89 THR CA C 64.984 . 1 1035 . 89 THR HA H 3.872 . 1 1036 . 89 THR CB C 68.910 . 1 1037 . 89 THR HB H 4.249 . 1 1038 . 89 THR CG2 C 23.116 . 1 1039 . 89 THR HG2 H 1.370 . 1 1040 . 89 THR C C 175.518 . 1 1041 . 90 SER N N 110.970 . 1 1042 . 90 SER H H 7.780 . 1 1043 . 90 SER CA C 58.006 . 1 1044 . 90 SER HA H 4.426 . 1 1045 . 90 SER CB C 63.732 . 1 1046 . 90 SER HB2 H 4.104 . 2 1047 . 90 SER HB3 H 3.907 . 2 1048 . 90 SER C C 175.263 . 1 1049 . 91 ALA N N 124.827 . 1 1050 . 91 ALA H H 7.281 . 1 1051 . 91 ALA CA C 52.573 . 1 1052 . 91 ALA HA H 4.513 . 1 1053 . 91 ALA CB C 19.001 . 1 1054 . 91 ALA HB H 1.496 . 1 1055 . 91 ALA C C 176.981 . 1 1056 . 92 THR N N 108.536 . 1 1057 . 92 THR H H 8.184 . 1 1058 . 92 THR CA C 60.120 . 1 1059 . 92 THR HA H 4.899 . 1 1060 . 92 THR CB C 70.889 . 1 1061 . 92 THR HB H 4.873 . 1 1062 . 92 THR CG2 C 22.042 . 1 1063 . 92 THR HG2 H 1.223 . 1 1064 . 92 THR C C 176.301 . 1 1065 . 93 MET N N 119.865 . 1 1066 . 93 MET H H 9.350 . 1 1067 . 93 MET CA C 56.038 . 1 1068 . 93 MET HA H 4.345 . 1 1069 . 93 MET CB C 28.484 . 1 1070 . 93 MET HB2 H 1.391 . 2 1071 . 93 MET HB3 H 1.971 . 2 1072 . 93 MET CG C 32.237 . 1 1073 . 93 MET HG2 H 2.381 . 2 1074 . 93 MET HG3 H 2.189 . 2 1075 . 93 MET CE C 15.422 . 1 1076 . 93 MET HE H 0.986 . 1 1077 . 93 MET C C 179.633 . 1 1078 . 94 GLY N N 107.881 . 1 1079 . 94 GLY H H 9.473 . 1 1080 . 94 GLY CA C 47.271 . 1 1081 . 94 GLY HA3 H 4.017 . 2 1082 . 94 GLY HA2 H 3.713 . 2 1083 . 94 GLY C C 176.437 . 1 1084 . 95 GLN N N 124.265 . 1 1085 . 95 GLN H H 7.991 . 1 1086 . 95 GLN CA C 59.080 . 1 1087 . 95 GLN HA H 4.148 . 1 1088 . 95 GLN CB C 28.126 . 1 1089 . 95 GLN HB2 H 2.135 . 2 1090 . 95 GLN HB3 H 2.387 . 2 1091 . 95 GLN CG C 33.851 . 1 1092 . 95 GLN HG2 H 2.484 . 1 1093 . 95 GLN HG3 H 2.484 . 1 1094 . 95 GLN NE2 N 111.938 . 1 1095 . 95 GLN HE21 H 7.718 . 2 1096 . 95 GLN HE22 H 6.878 . 2 1097 . 95 GLN C C 179.459 . 1 1098 . 96 LEU N N 120.426 . 1 1099 . 96 LEU H H 8.406 . 1 1100 . 96 LEU CA C 57.827 . 1 1101 . 96 LEU HA H 4.248 . 1 1102 . 96 LEU CB C 42.798 . 1 1103 . 96 LEU HB2 H 1.615 . 2 1104 . 96 LEU HB3 H 1.818 . 2 1105 . 96 LEU CG C 26.873 . 1 1106 . 96 LEU HG H 1.823 . 1 1107 . 96 LEU CD1 C 24.368 . 2 1108 . 96 LEU HD1 H 0.897 . 2 1109 . 96 LEU CD2 C 25.621 . 2 1110 . 96 LEU HD2 H 0.908 . 2 1111 . 96 LEU C C 178.945 . 1 1112 . 97 TYR N N 118.648 . 1 1113 . 97 TYR H H 9.019 . 1 1114 . 97 TYR CA C 63.195 . 1 1115 . 97 TYR HA H 3.859 . 1 1116 . 97 TYR CB C 39.577 . 1 1117 . 97 TYR HB2 H 3.048 . 2 1118 . 97 TYR HB3 H 3.293 . 2 1119 . 97 TYR CD1 C 133.184 . 1 1120 . 97 TYR HD1 H 6.954 . 1 1121 . 97 TYR CD2 C 133.184 . 1 1122 . 97 TYR HD2 H 6.954 . 1 1123 . 97 TYR C C 177.986 . 1 1124 . 98 GLN N N 119.303 . 1 1125 . 98 GLN H H 8.410 . 1 1126 . 98 GLN CA C 59.438 . 1 1127 . 98 GLN HA H 4.062 . 1 1128 . 98 GLN CB C 28.484 . 1 1129 . 98 GLN HB2 H 2.291 . 2 1130 . 98 GLN HB3 H 2.314 . 2 1131 . 98 GLN CG C 33.672 . 1 1132 . 98 GLN HG2 H 2.591 . 1 1133 . 98 GLN HG3 H 2.591 . 1 1134 . 98 GLN NE2 N 112.066 . 1 1135 . 98 GLN HE21 H 7.597 . 2 1136 . 98 GLN HE22 H 6.893 . 2 1137 . 98 GLN C C 177.243 . 1 1138 . 99 GLU N N 114.809 . 1 1139 . 99 GLU H H 7.394 . 1 1140 . 99 GLU CA C 58.364 . 1 1141 . 99 GLU HA H 3.995 . 1 1142 . 99 GLU CB C 31.346 . 1 1143 . 99 GLU HB2 H 1.809 . 2 1144 . 99 GLU HB3 H 1.492 . 2 1145 . 99 GLU CG C 35.998 . 1 1146 . 99 GLU HG2 H 1.620 . 2 1147 . 99 GLU HG3 H 2.065 . 2 1148 . 99 GLU C C 178.197 . 1 1149 . 100 HIS N N 112.000 . 1 1150 . 100 HIS H H 8.136 . 1 1151 . 100 HIS CA C 56.754 . 1 1152 . 100 HIS HA H 4.775 . 1 1153 . 100 HIS CB C 33.672 . 1 1154 . 100 HIS HB2 H 3.080 . 2 1155 . 100 HIS HB3 H 2.795 . 2 1156 . 100 HIS CD2 C 119.850 . 1 1157 . 100 HIS HD2 H 6.955 . 2 1158 . 100 HIS C C 177.169 . 1 1159 . 101 HIS N N 119.316 . 1 1160 . 101 HIS H H 8.429 . 1 1161 . 101 HIS CA C 57.469 . 1 1162 . 101 HIS HA H 4.261 . 1 1163 . 101 HIS CB C 26.694 . 1 1164 . 101 HIS HB2 H 2.084 . 2 1165 . 101 HIS HB3 H 2.262 . 2 1166 . 101 HIS CD2 C 124.778 . 1 1167 . 101 HIS HD2 H 6.956 . 1 1168 . 103 GLU CA C 59.080 . 1 1169 . 103 GLU HA H 4.090 . 1 1170 . 103 GLU CB C 29.344 . 1 1171 . 103 GLU HB2 H 2.176 . 2 1172 . 103 GLU HB3 H 2.359 . 2 1173 . 103 GLU CG C 37.301 . 1 1174 . 103 GLU HG2 H 2.436 . 1 1175 . 103 GLU HG3 H 2.436 . 1 1176 . 104 ASP CA C 53.533 . 1 1177 . 104 ASP HA H 4.127 . 1 1178 . 104 ASP CB C 40.666 . 1 1179 . 104 ASP HB2 H 2.428 . 2 1180 . 104 ASP HB3 H 3.103 . 2 1181 . 104 ASP C C 173.904 . 1 1182 . 105 PHE N N 102.825 . 1 1183 . 105 PHE H H 7.871 . 1 1184 . 105 PHE CA C 61.227 . 1 1185 . 105 PHE HA H 3.611 . 1 1186 . 105 PHE CB C 35.104 . 1 1187 . 105 PHE HB2 H 2.942 . 2 1188 . 105 PHE HB3 H 3.471 . 2 1189 . 105 PHE CD1 C 131.155 . 1 1190 . 105 PHE HD1 H 7.078 . 1 1191 . 105 PHE CE1 C 131.300 . 1 1192 . 105 PHE HE1 H 7.318 . 1 1193 . 105 PHE CE2 C 131.300 . 1 1194 . 105 PHE HE2 H 7.318 . 1 1195 . 105 PHE CD2 C 131.155 . 1 1196 . 105 PHE HD2 H 7.078 . 1 1197 . 105 PHE C C 175.307 . 1 1198 . 106 PHE N N 119.116 . 1 1199 . 106 PHE H H 8.713 . 1 1200 . 106 PHE CA C 59.437 . 1 1201 . 106 PHE HA H 4.773 . 1 1202 . 106 PHE CB C 41.273 . 1 1203 . 106 PHE HB2 H 2.024 . 1 1204 . 106 PHE HB3 H 2.024 . 1 1205 . 106 PHE CD1 C 132.314 . 1 1206 . 106 PHE HD1 H 6.865 . 1 1207 . 106 PHE CE1 C 130.575 . 1 1208 . 106 PHE HE1 H 7.202 . 1 1209 . 106 PHE HZ H 6.926 . 1 1210 . 106 PHE CE2 C 130.575 . 1 1211 . 106 PHE HE2 H 7.202 . 1 1212 . 106 PHE CD2 C 132.314 . 1 1213 . 106 PHE HD2 H 6.865 . 1 1214 . 106 PHE C C 174.626 . 1 1215 . 107 LEU N N 121.628 . 1 1216 . 107 LEU H H 7.912 . 1 1217 . 107 LEU CA C 53.354 . 1 1218 . 107 LEU HA H 4.698 . 1 1219 . 107 LEU CB C 46.197 . 1 1220 . 107 LEU HB2 H 2.048 . 2 1221 . 107 LEU HB3 H 1.376 . 2 1222 . 107 LEU CG C 26.873 . 1 1223 . 107 LEU HG H 0.755 . 1 1224 . 107 LEU CD1 C 24.726 . 1 1225 . 107 LEU HD1 H 0.873 . 1 1226 . 107 LEU CD2 C 24.726 . 1 1227 . 107 LEU HD2 H 0.873 . 1 1228 . 107 LEU C C 172.877 . 1 1229 . 108 TYR N N 126.793 . 1 1230 . 108 TYR H H 8.866 . 1 1231 . 108 TYR CA C 58.006 . 1 1232 . 108 TYR HA H 4.667 . 1 1233 . 108 TYR CB C 38.846 . 1 1234 . 108 TYR HB2 H 2.226 . 1 1235 . 108 TYR HB3 H 2.226 . 1 1236 . 108 TYR CD1 C 132.604 . 1 1237 . 108 TYR HD1 H 6.333 . 1 1238 . 108 TYR CD2 C 132.604 . 1 1239 . 108 TYR HD2 H 6.333 . 1 1240 . 108 TYR C C 175.031 . 1 1241 . 109 ILE N N 123.516 . 1 1242 . 109 ILE H H 9.389 . 1 1243 . 109 ILE CA C 59.974 . 1 1244 . 109 ILE HA H 4.824 . 1 1245 . 109 ILE CB C 41.724 . 1 1246 . 109 ILE HB H 1.548 . 1 1247 . 109 ILE CG1 C 27.231 . 1 1248 . 109 ILE HG12 H 0.805 . 2 1249 . 109 ILE HG13 H 1.324 . 2 1250 . 109 ILE CD1 C 13.275 . 1 1251 . 109 ILE HD1 H 0.299 . 1 1252 . 109 ILE CG2 C 16.847 . 1 1253 . 109 ILE HG2 H 0.468 . 1 1254 . 109 ILE C C 174.548 . 1 1255 . 110 ALA N N 127.823 . 1 1256 . 110 ALA H H 9.012 . 1 1257 . 110 ALA CA C 49.143 . 1 1258 . 110 ALA HA H 6.502 . 1 1259 . 110 ALA CB C 23.295 . 1 1260 . 110 ALA HB H 1.547 . 1 1261 . 110 ALA C C 177.690 . 1 1262 . 111 TYR N N 115.745 . 1 1263 . 111 TYR H H 8.527 . 1 1264 . 111 TYR CA C 55.143 . 1 1265 . 111 TYR HA H 6.702 . 1 1266 . 111 TYR CB C 42.977 . 1 1267 . 111 TYR HB2 H 2.849 . 2 1268 . 111 TYR HB3 H 3.257 . 2 1269 . 111 TYR CD1 C 132.894 . 1 1270 . 111 TYR HD1 H 6.820 . 1 1271 . 111 TYR CE1 C 117.531 . 1 1272 . 111 TYR HE1 H 6.645 . 1 1273 . 111 TYR CE2 C 117.531 . 1 1274 . 111 TYR HE2 H 6.645 . 1 1275 . 111 TYR CD2 C 132.894 . 1 1276 . 111 TYR HD2 H 6.820 . 1 1277 . 111 TYR C C 173.719 . 1 1278 . 112 SER N N 112.187 . 1 1279 . 112 SER H H 9.289 . 1 1280 . 112 SER CA C 56.217 . 1 1281 . 112 SER HA H 4.651 . 1 1282 . 112 SER CB C 65.342 . 1 1283 . 112 SER HB2 H 3.917 . 2 1284 . 112 SER HB3 H 4.253 . 2 1285 . 112 SER C C 172.426 . 1 1286 . 113 ASP N N 120.052 . 1 1287 . 113 ASP H H 9.434 . 1 1288 . 113 ASP CA C 54.126 . 1 1289 . 113 ASP HA H 4.830 . 1 1290 . 113 ASP CB C 40.925 . 1 1291 . 113 ASP HB2 H 2.700 . 2 1292 . 113 ASP HB3 H 3.085 . 2 1293 . 113 ASP C C 174.965 . 1 1294 . 114 GLU N N 119.116 . 1 1295 . 114 GLU H H 8.511 . 1 1296 . 114 GLU CA C 55.143 . 1 1297 . 114 GLU HA H 4.642 . 1 1298 . 114 GLU CB C 33.315 . 1 1299 . 114 GLU HB2 H 1.870 . 2 1300 . 114 GLU HB3 H 2.072 . 2 1301 . 114 GLU CG C 36.525 . 1 1302 . 114 GLU HG2 H 2.306 . 2 1303 . 114 GLU HG3 H 2.211 . 2 1304 . 114 GLU C C 175.089 . 1 1305 . 115 SER N N 112.281 . 1 1306 . 115 SER H H 7.979 . 1 1307 . 115 SER CA C 58.364 . 1 1308 . 115 SER HA H 3.408 . 1 1309 . 115 SER CB C 62.837 . 1 1310 . 115 SER HB2 H 3.490 . 2 1311 . 115 SER HB3 H 2.491 . 2 1312 . 115 SER C C 173.462 . 1 1313 . 116 VAL N N 118.928 . 1 1314 . 116 VAL H H 6.978 . 1 1315 . 116 VAL CA C 61.406 . 1 1316 . 116 VAL HA H 4.128 . 1 1317 . 116 VAL CB C 34.195 . 1 1318 . 116 VAL HB H 1.809 . 1 1319 . 116 VAL CG2 C 20.432 . 1 1320 . 116 VAL HG2 H 0.743 . 1 1321 . 116 VAL CG1 C 20.432 . 1 1322 . 116 VAL HG1 H 0.743 . 1 1323 . 116 VAL C C 174.737 . 1 1324 . 117 TYR N N 126.887 . 1 1325 . 117 TYR H H 8.233 . 1 1326 . 117 TYR CA C 58.901 . 1 1327 . 117 TYR HA H 3.733 . 1 1328 . 117 TYR CB C 38.146 . 1 1329 . 117 TYR HB2 H 2.550 . 2 1330 . 117 TYR HB3 H 1.926 . 2 1331 . 117 TYR CD1 C 132.894 . 1 1332 . 117 TYR HD1 H 6.611 . 1 1333 . 117 TYR CD2 C 132.894 . 1 1334 . 117 TYR HD2 H 6.606 . 1 1335 . 117 TYR C C 175.503 . 1 1336 . 118 GLY N N 112.281 . 1 1337 . 118 GLY H H 7.547 . 1 1338 . 118 GLY CA C 45.325 . 1 1339 . 118 GLY HA3 H 3.724 . 2 1340 . 118 GLY HA2 H 3.579 . 2 1341 . 118 GLY C C 172.207 . 1 1342 . 119 LEU N N 126.793 . 1 1343 . 119 LEU H H 7.395 . 1 1344 . 119 LEU CA C 56.455 . 1 1345 . 119 LEU HA H 4.075 . 1 1346 . 119 LEU CB C 43.513 . 1 1347 . 119 LEU HB2 H 1.489 . 2 1348 . 119 LEU HB3 H 1.441 . 2 1349 . 119 LEU CG C 27.410 . 1 1350 . 119 LEU HG H 1.460 . 1 1351 . 119 LEU CD1 C 25.263 . 2 1352 . 119 LEU HD1 H 0.813 . 2 1353 . 119 LEU CD2 C 24.010 . 2 1354 . 119 LEU HD2 H 0.786 . 2 stop_ save_