data_4766 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and partial side chain resonance assignments of Vesl-1S ; _BMRB_accession_number 4766 _BMRB_flat_file_name bmr4766.str _Entry_type original _Submission_date 2000-06-19 _Accession_date 2000-06-19 _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 Tanaka Takeshi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 591 "13C chemical shifts" 528 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-10-30 original author . stop_ _Original_release_date 2000-10-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignments of the 1H, 13C, and 15N resonances of the 21 kDa Vesl/Homer family protein, Vesl-1S ; _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 Tanaka Takeshi . . 2 Sugai Mariko . . 3 Ito Yutaka . . 4 Inokuchi Kaoru . . 5 Kohno Toshiyuki . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 18 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 181 _Page_last 182 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_system_Vesl-1S _Saveframe_category molecular_system _Mol_system_name Vesl-1S _Abbreviation_common Vesl-1S _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Vesl-1S $Vesl-1S stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Vesl-1S _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Vesl-1S _Name_variant 'Homer 1a' _Abbreviation_common Vesl-1S _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; GPMGEQPIFSTRAHVFQIDP NTKKNWVPTSKHAVTVSYFY DSTRNVYRIISLDGSKAIIN STITPNMTFTKTSQKFGQWA DSRANTVYGLGFSSEHHLSK FAEKFQEFKEAARLAKEKSQ EKMELTSTPSQESAGGDLQS PLTPESINGTDDERTPDVTQ NSEPRAEPAQNALPFSHRYT FNSAIMIK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 MET 4 GLY 5 GLU 6 GLN 7 PRO 8 ILE 9 PHE 10 SER 11 THR 12 ARG 13 ALA 14 HIS 15 VAL 16 PHE 17 GLN 18 ILE 19 ASP 20 PRO 21 ASN 22 THR 23 LYS 24 LYS 25 ASN 26 TRP 27 VAL 28 PRO 29 THR 30 SER 31 LYS 32 HIS 33 ALA 34 VAL 35 THR 36 VAL 37 SER 38 TYR 39 PHE 40 TYR 41 ASP 42 SER 43 THR 44 ARG 45 ASN 46 VAL 47 TYR 48 ARG 49 ILE 50 ILE 51 SER 52 LEU 53 ASP 54 GLY 55 SER 56 LYS 57 ALA 58 ILE 59 ILE 60 ASN 61 SER 62 THR 63 ILE 64 THR 65 PRO 66 ASN 67 MET 68 THR 69 PHE 70 THR 71 LYS 72 THR 73 SER 74 GLN 75 LYS 76 PHE 77 GLY 78 GLN 79 TRP 80 ALA 81 ASP 82 SER 83 ARG 84 ALA 85 ASN 86 THR 87 VAL 88 TYR 89 GLY 90 LEU 91 GLY 92 PHE 93 SER 94 SER 95 GLU 96 HIS 97 HIS 98 LEU 99 SER 100 LYS 101 PHE 102 ALA 103 GLU 104 LYS 105 PHE 106 GLN 107 GLU 108 PHE 109 LYS 110 GLU 111 ALA 112 ALA 113 ARG 114 LEU 115 ALA 116 LYS 117 GLU 118 LYS 119 SER 120 GLN 121 GLU 122 LYS 123 MET 124 GLU 125 LEU 126 THR 127 SER 128 THR 129 PRO 130 SER 131 GLN 132 GLU 133 SER 134 ALA 135 GLY 136 GLY 137 ASP 138 LEU 139 GLN 140 SER 141 PRO 142 LEU 143 THR 144 PRO 145 GLU 146 SER 147 ILE 148 ASN 149 GLY 150 THR 151 ASP 152 ASP 153 GLU 154 ARG 155 THR 156 PRO 157 ASP 158 VAL 159 THR 160 GLN 161 ASN 162 SER 163 GLU 164 PRO 165 ARG 166 ALA 167 GLU 168 PRO 169 ALA 170 GLN 171 ASN 172 ALA 173 LEU 174 PRO 175 PHE 176 SER 177 HIS 178 ARG 179 TYR 180 THR 181 PHE 182 ASN 183 SER 184 ALA 185 ILE 186 MET 187 ILE 188 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 1DDV "Crystal Structure Of The Homer Evh1 Domain With Bound Mglur Peptide" 59.04 111 100.00 100.00 1.69e-75 PDB 1DDW "Homer Evh1 Domain Unliganded" 63.30 120 99.16 99.16 6.53e-80 PDB 1I2H "Crystal Structure Analysis Of Psd-Zip45(Homer1cVESL-1l) Conserved Homer 1 Domain" 86.70 168 100.00 100.00 1.71e-115 DBJ BAA21671 "Vesl [Rattus norvegicus]" 98.94 186 100.00 100.00 1.96e-134 DBJ BAA32477 "Vesl-1L [Rattus norvegicus]" 93.09 366 100.00 100.00 3.74e-126 DBJ BAA34311 "PSD-Zip45 [Rattus norvegicus]" 93.09 366 100.00 100.00 3.21e-126 DBJ BAA34353 "Vesl-1S [Mus musculus]" 98.94 186 98.92 98.92 1.06e-132 DBJ BAA34354 "Vesl-1L [Mus musculus]" 93.09 366 98.86 98.86 2.51e-124 EMBL CAA76877 "Syn47 protein [Homo sapiens]" 93.09 354 99.43 99.43 1.81e-125 EMBL CAB77249 "Homer-1a protein [Rattus norvegicus]" 98.94 186 100.00 100.00 1.96e-134 EMBL CAB77250 "Homer-1c protein [Rattus norvegicus]" 93.09 366 100.00 100.00 3.21e-126 EMBL CAH90340 "hypothetical protein [Pongo abelii]" 93.09 354 97.71 98.29 3.47e-122 GB AAC53113 "GLGF-domain protein Homer [Rattus norvegicus]" 100.00 189 99.47 99.47 3.62e-135 GB AAC71021 "homer-1a [Mus musculus]" 98.94 186 98.92 98.92 1.06e-132 GB AAC71022 "homer-1b [Mus musculus]" 93.09 354 98.86 98.86 2.31e-124 GB AAC71026 "homer-1b [Homo sapiens]" 93.09 354 99.43 99.43 1.81e-125 GB AAC71031 "homer-1b [Rattus norvegicus]" 93.09 354 100.00 100.00 1.66e-126 REF NP_001069520 "homer protein homolog 1 [Bos taurus]" 93.09 354 97.71 98.86 2.23e-123 REF NP_001125162 "homer protein homolog 1 [Pongo abelii]" 93.09 354 97.71 98.29 3.47e-122 REF NP_001230740 "homer homolog 1 [Sus scrofa]" 93.09 354 98.29 98.86 1.09e-123 REF NP_001248499 "homer protein homolog 1 [Macaca mulatta]" 93.09 354 99.43 99.43 1.95e-125 REF NP_001264006 "homer protein homolog 1 isoform 2 [Homo sapiens]" 53.72 224 98.02 98.02 4.27e-67 SP Q2KJ56 "RecName: Full=Homer protein homolog 1; Short=Homer-1 [Bos taurus]" 93.09 354 97.71 98.86 2.23e-123 SP Q86YM7 "RecName: Full=Homer protein homolog 1; Short=Homer-1 [Homo sapiens]" 93.09 354 99.43 99.43 1.81e-125 SP Q9Z214 "RecName: Full=Homer protein homolog 1; AltName: Full=PSD-Zip45; AltName: Full=VASP/Ena-related gene up-regulated during seizure" 93.09 366 100.00 100.00 3.21e-126 SP Q9Z2Y3 "RecName: Full=Homer protein homolog 1; Short=Homer-1; AltName: Full=VASP/Ena-related gene up-regulated during seizure and LTP 1" 93.09 366 98.86 98.86 2.76e-124 TPG DAA25767 "TPA: homer protein homolog 1 [Bos taurus]" 93.09 354 97.71 98.86 2.23e-123 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Vesl-1S rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $Vesl-1S 'recombinant technology' 'E. coli' Escherichia coli . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Vesl-1S . mM 1 1.3 '[U-99% 13C; U-99% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_CBCA(CO)NNH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NNH _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HBHA(CBCACO)NNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NNH _Sample_label . save_ save_H(CACO)NNH_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CACO)NNH _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NNH _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 HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _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 HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CACO)NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 303 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 . . . . 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 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Vesl-1S _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLY CA C 43.68 0.00 . 2 . 1 GLY H H 7.15 0.00 . 3 . 1 GLY N N 128.78 0.00 . 4 . 2 PRO C C 177.03 0.01 . 5 . 2 PRO CA C 63.16 0.03 . 6 . 2 PRO CB C 32.03 0.00 . 7 . 2 PRO HA H 4.35 0.00 . 8 . 2 PRO HB2 H 2.18 0.00 . 9 . 2 PRO HB3 H 1.83 0.00 . 10 . 3 MET C C 176.69 0.01 . 11 . 3 MET CA C 55.44 0.04 . 12 . 3 MET CB C 32.59 0.03 . 13 . 3 MET H H 8.45 0.01 . 14 . 3 MET HA H 4.40 0.01 . 15 . 3 MET HB2 H 2.01 0.00 . 16 . 3 MET HB3 H 1.92 0.00 . 17 . 3 MET HE H 2.21 0.00 . 18 . 3 MET HG2 H 2.48 0.00 . 19 . 3 MET HG3 H 2.44 0.00 . 20 . 3 MET N N 121.78 0.04 . 21 . 4 GLY C C 174.07 0.04 . 22 . 4 GLY CA C 45.15 0.07 . 23 . 4 GLY H H 8.22 0.01 . 24 . 4 GLY HA2 H 3.90 0.01 . 25 . 4 GLY N N 111.26 0.03 . 26 . 5 GLU C C 176.14 0.00 . 27 . 5 GLU CA C 56.17 0.06 . 28 . 5 GLU CB C 30.44 0.02 . 29 . 5 GLU H H 8.16 0.01 . 30 . 5 GLU HA H 4.39 0.01 . 31 . 5 GLU HB2 H 2.03 0.00 . 32 . 5 GLU HB3 H 1.86 0.01 . 33 . 5 GLU HG2 H 2.29 0.00 . 34 . 5 GLU HG3 H 2.22 0.00 . 35 . 5 GLU N N 121.94 0.04 . 36 . 6 GLN C C 173.56 0.00 . 37 . 6 GLN CA C 52.82 0.00 . 38 . 6 GLN CB C 29.32 0.00 . 39 . 6 GLN H H 8.39 0.01 . 40 . 6 GLN N N 122.57 0.05 . 41 . 7 PRO C C 177.03 0.00 . 42 . 7 PRO CA C 62.29 0.06 . 43 . 7 PRO CB C 31.87 0.00 . 44 . 7 PRO HA H 3.63 0.05 . 45 . 7 PRO HB2 H 1.41 0.02 . 46 . 7 PRO HB3 H 1.25 0.05 . 47 . 7 PRO HD2 H 3.67 0.00 . 48 . 7 PRO HG2 H 1.90 0.00 . 49 . 8 ILE C C 176.34 0.03 . 50 . 8 ILE CA C 61.85 0.04 . 51 . 8 ILE CB C 38.81 0.04 . 52 . 8 ILE H H 8.48 0.01 . 53 . 8 ILE HA H 4.14 0.01 . 54 . 8 ILE HB H 1.70 0.01 . 55 . 8 ILE HG12 H 0.96 0.00 . 56 . 8 ILE HG13 H 0.69 0.00 . 57 . 8 ILE HG2 H 0.87 0.00 . 58 . 8 ILE N N 120.66 0.02 . 59 . 9 PHE C C 173.54 0.07 . 60 . 9 PHE CA C 58.21 0.03 . 61 . 9 PHE CB C 41.72 0.05 . 62 . 9 PHE H H 7.14 0.00 . 63 . 9 PHE HA H 4.63 0.01 . 64 . 9 PHE HB2 H 3.39 0.01 . 65 . 9 PHE N N 120.20 0.07 . 66 . 10 SER C C 170.68 0.03 . 67 . 10 SER CA C 57.34 0.08 . 68 . 10 SER CB C 66.40 0.01 . 69 . 10 SER H H 7.79 0.01 . 70 . 10 SER HA H 5.36 0.02 . 71 . 10 SER HB2 H 3.55 0.03 . 72 . 10 SER HB3 H 3.31 0.03 . 73 . 10 SER N N 124.92 0.05 . 74 . 11 THR C C 171.74 0.06 . 75 . 11 THR CA C 59.32 0.06 . 76 . 11 THR CB C 69.80 0.03 . 77 . 11 THR H H 8.81 0.01 . 78 . 11 THR HA H 4.52 0.02 . 79 . 11 THR HB H 4.10 0.01 . 80 . 11 THR HG2 H 1.18 0.00 . 81 . 11 THR N N 119.76 0.02 . 82 . 12 ARG C C 175.05 0.02 . 83 . 12 ARG CA C 54.08 0.06 . 84 . 12 ARG CB C 32.40 0.05 . 85 . 12 ARG H H 8.07 0.01 . 86 . 12 ARG HA H 5.28 0.02 . 87 . 12 ARG HB2 H 1.56 0.01 . 88 . 12 ARG HB3 H 1.38 0.03 . 89 . 12 ARG HD2 H 2.94 0.00 . 90 . 12 ARG N N 124.82 0.03 . 91 . 13 ALA C C 175.95 0.03 . 92 . 13 ALA CA C 51.24 0.07 . 93 . 13 ALA CB C 22.18 0.07 . 94 . 13 ALA H H 8.94 0.01 . 95 . 13 ALA HA H 4.44 0.02 . 96 . 13 ALA HB H 0.51 0.04 . 97 . 13 ALA N N 125.06 0.05 . 98 . 14 HIS C C 174.59 0.01 . 99 . 14 HIS CA C 57.47 0.06 . 100 . 14 HIS CB C 31.27 0.13 . 101 . 14 HIS H H 8.58 0.01 . 102 . 14 HIS HA H 4.69 0.02 . 103 . 14 HIS HB2 H 3.14 0.01 . 104 . 14 HIS HB3 H 2.87 0.03 . 105 . 14 HIS N N 121.25 0.13 . 106 . 15 VAL C C 175.05 0.01 . 107 . 15 VAL CA C 62.08 0.03 . 108 . 15 VAL CB C 32.96 0.08 . 109 . 15 VAL H H 7.84 0.02 . 110 . 15 VAL HA H 4.51 0.02 . 111 . 15 VAL HB H 1.49 0.02 . 112 . 15 VAL HG1 H 0.90 0.00 . 113 . 15 VAL HG2 H 0.58 0.00 . 114 . 15 VAL N N 124.38 0.07 . 115 . 16 PHE C C 174.99 0.04 . 116 . 16 PHE CA C 55.95 0.07 . 117 . 16 PHE CB C 45.02 0.00 . 118 . 16 PHE H H 9.51 0.01 . 119 . 16 PHE HA H 5.43 0.01 . 120 . 16 PHE HB2 H 3.17 0.00 . 121 . 16 PHE HB3 H 2.51 0.02 . 122 . 16 PHE N N 129.03 0.04 . 123 . 17 GLN C C 175.66 0.03 . 124 . 17 GLN CA C 54.44 0.04 . 125 . 17 GLN CB C 34.30 0.01 . 126 . 17 GLN H H 9.09 0.01 . 127 . 17 GLN HA H 4.00 0.00 . 128 . 17 GLN HB2 H 1.86 0.00 . 129 . 17 GLN N N 118.99 0.03 . 130 . 18 ILE C C 175.06 0.05 . 131 . 18 ILE CA C 59.53 0.09 . 132 . 18 ILE CB C 38.67 0.04 . 133 . 18 ILE H H 7.72 0.01 . 134 . 18 ILE HA H 3.77 0.01 . 135 . 18 ILE HB H 0.94 0.04 . 136 . 18 ILE HG12 H 0.43 0.00 . 137 . 18 ILE HG13 H 0.19 0.00 . 138 . 18 ILE HG2 H 0.30 0.00 . 139 . 18 ILE N N 125.64 0.03 . 140 . 19 ASP C C 175.49 0.00 . 141 . 19 ASP CA C 51.68 0.05 . 142 . 19 ASP CB C 42.41 0.00 . 143 . 19 ASP H H 8.23 0.01 . 144 . 19 ASP N N 129.28 0.03 . 145 . 20 PRO C C 177.27 0.00 . 146 . 20 PRO CA C 63.89 0.03 . 147 . 20 PRO CB C 31.86 0.00 . 148 . 20 PRO HA H 4.16 0.01 . 149 . 20 PRO HB2 H 2.16 0.00 . 150 . 20 PRO HB3 H 1.84 0.00 . 151 . 21 ASN C C 176.06 0.02 . 152 . 21 ASN CA C 54.80 0.08 . 153 . 21 ASN CB C 38.91 0.05 . 154 . 21 ASN H H 8.35 0.02 . 155 . 21 ASN HA H 4.57 0.01 . 156 . 21 ASN HB2 H 2.87 0.01 . 157 . 21 ASN HB3 H 2.76 0.01 . 158 . 21 ASN N N 117.50 0.02 . 159 . 22 THR C C 174.84 0.04 . 160 . 22 THR CA C 61.57 0.04 . 161 . 22 THR CB C 70.30 0.00 . 162 . 22 THR H H 7.86 0.00 . 163 . 22 THR HA H 4.25 0.01 . 164 . 22 THR HB H 4.11 0.00 . 165 . 22 THR HG2 H 1.31 0.00 . 166 . 22 THR N N 110.96 0.03 . 167 . 23 LYS C C 175.99 0.02 . 168 . 23 LYS CA C 57.45 0.05 . 169 . 23 LYS CB C 29.97 0.01 . 170 . 23 LYS H H 8.11 0.01 . 171 . 23 LYS HA H 3.77 0.00 . 172 . 23 LYS HB2 H 1.75 0.00 . 173 . 23 LYS N N 119.01 0.06 . 174 . 24 LYS C C 174.96 0.02 . 175 . 24 LYS CA C 56.17 0.06 . 176 . 24 LYS CB C 34.22 0.04 . 177 . 24 LYS H H 7.75 0.01 . 178 . 24 LYS HA H 4.14 0.01 . 179 . 24 LYS HB2 H 1.63 0.00 . 180 . 24 LYS HB3 H 1.45 0.00 . 181 . 24 LYS N N 117.18 0.08 . 182 . 25 ASN C C 173.29 0.05 . 183 . 25 ASN CA C 52.15 0.04 . 184 . 25 ASN CB C 40.47 0.11 . 185 . 25 ASN H H 7.28 0.02 . 186 . 25 ASN HA H 4.62 0.02 . 187 . 25 ASN HB2 H 2.66 0.02 . 188 . 25 ASN HB3 H 2.52 0.03 . 189 . 25 ASN N N 116.95 0.15 . 190 . 26 TRP C C 176.47 0.00 . 191 . 26 TRP CA C 56.74 0.04 . 192 . 26 TRP CB C 31.00 0.12 . 193 . 26 TRP H H 8.42 0.02 . 194 . 26 TRP HA H 4.59 0.01 . 195 . 26 TRP HB2 H 2.84 0.00 . 196 . 26 TRP HB3 H 2.71 0.00 . 197 . 26 TRP N N 123.28 0.04 . 198 . 27 VAL C C 174.48 0.00 . 199 . 27 VAL CA C 58.78 0.00 . 200 . 27 VAL H H 9.49 0.01 . 201 . 27 VAL N N 126.11 0.13 . 202 . 28 PRO C C 177.55 0.02 . 203 . 28 PRO CA C 62.93 0.12 . 204 . 28 PRO CB C 31.73 0.00 . 205 . 28 PRO HA H 4.35 0.01 . 206 . 28 PRO HB2 H 2.21 0.00 . 207 . 28 PRO HB3 H 1.82 0.04 . 208 . 28 PRO HD2 H 3.81 0.00 . 209 . 28 PRO HD3 H 3.63 0.00 . 210 . 28 PRO HG2 H 2.03 0.00 . 211 . 28 PRO HG3 H 1.91 0.00 . 212 . 29 THR C C 174.81 0.02 . 213 . 29 THR CA C 62.45 0.13 . 214 . 29 THR CB C 68.58 0.02 . 215 . 29 THR H H 8.84 0.01 . 216 . 29 THR HA H 4.29 0.01 . 217 . 29 THR HB H 3.94 0.01 . 218 . 29 THR HG2 H 1.17 0.00 . 219 . 29 THR N N 120.05 0.06 . 220 . 30 SER C C 173.97 0.00 . 221 . 30 SER CA C 56.77 0.07 . 222 . 30 SER CB C 65.52 0.00 . 223 . 30 SER H H 7.32 0.01 . 224 . 30 SER N N 115.62 0.02 . 225 . 33 ALA C C 176.94 0.02 . 226 . 33 ALA CA C 52.58 0.12 . 227 . 33 ALA CB C 17.70 0.00 . 228 . 33 ALA HA H 3.44 0.01 . 229 . 33 ALA HB H 0.88 0.05 . 230 . 34 VAL C C 175.24 0.01 . 231 . 34 VAL CA C 58.95 0.03 . 232 . 34 VAL CB C 35.39 0.03 . 233 . 34 VAL H H 8.33 0.02 . 234 . 34 VAL HA H 4.54 0.01 . 235 . 34 VAL HB H 2.18 0.04 . 236 . 34 VAL HG1 H 1.31 0.00 . 237 . 34 VAL HG2 H 0.67 0.00 . 238 . 34 VAL N N 117.89 0.09 . 239 . 35 THR C C 175.38 0.04 . 240 . 35 THR CA C 63.58 0.05 . 241 . 35 THR CB C 68.62 0.04 . 242 . 35 THR H H 8.64 0.02 . 243 . 35 THR HA H 4.63 0.00 . 244 . 35 THR HB H 4.04 0.03 . 245 . 35 THR HG2 H 1.19 0.00 . 246 . 35 THR N N 118.96 0.02 . 247 . 36 VAL C C 174.62 0.03 . 248 . 36 VAL CA C 62.06 0.07 . 249 . 36 VAL CB C 33.48 0.04 . 250 . 36 VAL H H 9.15 0.01 . 251 . 36 VAL HA H 4.26 0.02 . 252 . 36 VAL HB H 1.69 0.01 . 253 . 36 VAL HG1 H 0.91 0.00 . 254 . 36 VAL HG2 H 0.69 0.01 . 255 . 36 VAL N N 134.13 0.03 . 256 . 37 SER C C 172.40 0.06 . 257 . 37 SER CA C 57.05 0.04 . 258 . 37 SER CB C 67.16 0.01 . 259 . 37 SER H H 8.53 0.01 . 260 . 37 SER HA H 5.66 0.01 . 261 . 37 SER HB2 H 3.58 0.00 . 262 . 37 SER HB3 H 3.51 0.01 . 263 . 37 SER N N 122.36 0.04 . 264 . 38 TYR C C 175.59 0.00 . 265 . 38 TYR CA C 56.61 0.04 . 266 . 38 TYR CB C 41.46 0.00 . 267 . 38 TYR H H 8.62 0.01 . 268 . 38 TYR HA H 5.53 0.01 . 269 . 38 TYR HB2 H 2.66 0.00 . 270 . 38 TYR HB3 H 2.46 0.02 . 271 . 38 TYR N N 120.62 0.03 . 272 . 39 PHE C C 174.18 0.04 . 273 . 39 PHE CA C 56.74 0.03 . 274 . 39 PHE CB C 43.63 0.00 . 275 . 39 PHE H H 9.51 0.01 . 276 . 39 PHE HA H 4.79 0.01 . 277 . 39 PHE HB2 H 2.94 0.00 . 278 . 39 PHE HB3 H 2.49 0.03 . 279 . 39 PHE N N 122.08 0.06 . 280 . 40 TYR C C 173.73 0.04 . 281 . 40 TYR CA C 55.86 0.05 . 282 . 40 TYR CB C 40.00 0.06 . 283 . 40 TYR H H 8.96 0.01 . 284 . 40 TYR HA H 4.56 0.01 . 285 . 40 TYR HB2 H 2.63 0.03 . 286 . 40 TYR HB3 H 2.52 0.02 . 287 . 40 TYR N N 122.97 0.02 . 288 . 41 ASP C C 175.82 0.00 . 289 . 41 ASP CA C 51.43 0.02 . 290 . 41 ASP CB C 41.53 0.00 . 291 . 41 ASP H H 8.23 0.01 . 292 . 41 ASP N N 130.15 0.03 . 293 . 42 SER C C 175.59 0.01 . 294 . 42 SER CA C 59.80 0.02 . 295 . 42 SER CB C 62.91 0.00 . 296 . 42 SER HA H 3.96 0.00 . 297 . 42 SER HB2 H 3.64 0.00 . 298 . 43 THR C C 175.82 0.02 . 299 . 43 THR CA C 64.90 0.07 . 300 . 43 THR CB C 68.21 0.03 . 301 . 43 THR H H 8.14 0.01 . 302 . 43 THR HA H 4.05 0.00 . 303 . 43 THR HB H 4.08 0.01 . 304 . 43 THR HG2 H 1.11 0.00 . 305 . 43 THR N N 119.44 0.07 . 306 . 44 ARG C C 175.27 0.01 . 307 . 44 ARG CA C 55.23 0.05 . 308 . 44 ARG CB C 31.84 0.04 . 309 . 44 ARG H H 7.10 0.02 . 310 . 44 ARG HA H 4.19 0.01 . 311 . 44 ARG HB2 H 1.76 0.00 . 312 . 44 ARG HB3 H 1.19 0.00 . 313 . 44 ARG HD2 H 2.99 0.00 . 314 . 44 ARG HD3 H 2.87 0.00 . 315 . 44 ARG N N 120.38 0.04 . 316 . 45 ASN C C 173.69 0.04 . 317 . 45 ASN CA C 53.67 0.08 . 318 . 45 ASN CB C 36.40 0.02 . 319 . 45 ASN H H 7.87 0.01 . 320 . 45 ASN HA H 4.00 0.01 . 321 . 45 ASN HB2 H 3.21 0.01 . 322 . 45 ASN HB3 H 2.53 0.02 . 323 . 45 ASN N N 119.65 0.02 . 324 . 46 VAL C C 173.19 0.05 . 325 . 46 VAL CA C 58.78 0.07 . 326 . 46 VAL CB C 35.97 0.13 . 327 . 46 VAL H H 6.84 0.01 . 328 . 46 VAL HA H 4.60 0.01 . 329 . 46 VAL HB H 1.99 0.04 . 330 . 46 VAL HG1 H 0.79 0.00 . 331 . 46 VAL HG2 H 0.60 0.00 . 332 . 46 VAL N N 111.11 0.10 . 333 . 47 TYR C C 175.17 0.04 . 334 . 47 TYR CA C 57.45 0.05 . 335 . 47 TYR CB C 40.77 0.04 . 336 . 47 TYR H H 9.47 0.02 . 337 . 47 TYR HA H 5.10 0.02 . 338 . 47 TYR HB2 H 2.65 0.02 . 339 . 47 TYR HB3 H 2.36 0.00 . 340 . 47 TYR N N 123.83 0.06 . 341 . 48 ARG C C 174.90 0.01 . 342 . 48 ARG CA C 53.89 0.07 . 343 . 48 ARG CB C 34.93 0.06 . 344 . 48 ARG H H 9.07 0.01 . 345 . 48 ARG HA H 5.31 0.02 . 346 . 48 ARG HB2 H 1.61 0.00 . 347 . 48 ARG HB3 H 1.33 0.03 . 348 . 48 ARG N N 120.40 0.07 . 349 . 49 ILE C C 175.04 0.07 . 350 . 49 ILE CA C 60.29 0.10 . 351 . 49 ILE CB C 39.12 0.00 . 352 . 49 ILE H H 9.08 0.01 . 353 . 49 ILE HA H 4.66 0.02 . 354 . 49 ILE HB H 1.47 0.02 . 355 . 49 ILE HD1 H 0.15 0.00 . 356 . 49 ILE HG12 H 1.23 0.00 . 357 . 49 ILE HG2 H 0.56 0.00 . 358 . 49 ILE N N 124.16 0.04 . 359 . 50 ILE C C 175.82 0.01 . 360 . 50 ILE CA C 58.28 0.05 . 361 . 50 ILE CB C 38.48 0.00 . 362 . 50 ILE H H 9.00 0.01 . 363 . 50 ILE HA H 4.88 0.02 . 364 . 50 ILE HB H 1.63 0.03 . 365 . 50 ILE HD1 H 0.40 0.00 . 366 . 50 ILE HG12 H 1.28 0.00 . 367 . 50 ILE HG2 H 0.74 0.00 . 368 . 50 ILE N N 127.12 0.03 . 369 . 51 SER C C 173.41 0.06 . 370 . 51 SER CA C 57.55 0.05 . 371 . 51 SER CB C 65.99 0.04 . 372 . 51 SER H H 8.37 0.01 . 373 . 51 SER HA H 4.80 0.01 . 374 . 51 SER HB2 H 3.58 0.03 . 375 . 51 SER HB3 H 3.30 0.03 . 376 . 51 SER N N 123.11 0.05 . 377 . 52 LEU C C 175.59 0.01 . 378 . 52 LEU CA C 54.01 0.03 . 379 . 52 LEU CB C 44.36 0.02 . 380 . 52 LEU H H 9.00 0.01 . 381 . 52 LEU HA H 5.07 0.01 . 382 . 52 LEU HB2 H 1.60 0.01 . 383 . 52 LEU HB3 H 1.43 0.01 . 384 . 52 LEU HD1 H 0.79 0.00 . 385 . 52 LEU HD2 H 0.65 0.00 . 386 . 52 LEU N N 132.12 0.04 . 387 . 53 ASP C C 177.03 0.02 . 388 . 53 ASP CA C 52.46 0.05 . 389 . 53 ASP CB C 41.98 0.05 . 390 . 53 ASP H H 8.71 0.01 . 391 . 53 ASP HA H 4.80 0.02 . 392 . 53 ASP HB2 H 2.74 0.01 . 393 . 53 ASP HB3 H 2.32 0.04 . 394 . 53 ASP N N 122.48 0.02 . 395 . 54 GLY C C 174.73 0.01 . 396 . 54 GLY CA C 46.84 0.10 . 397 . 54 GLY H H 8.57 0.01 . 398 . 54 GLY HA2 H 4.04 0.01 . 399 . 54 GLY HA3 H 3.59 0.01 . 400 . 54 GLY N N 116.92 0.05 . 401 . 55 SER C C 173.68 0.07 . 402 . 55 SER CA C 58.25 0.05 . 403 . 55 SER CB C 63.56 0.09 . 404 . 55 SER H H 8.78 0.02 . 405 . 55 SER HA H 4.36 0.01 . 406 . 55 SER HB2 H 3.93 0.00 . 407 . 55 SER HB3 H 3.78 0.00 . 408 . 55 SER N N 122.34 0.01 . 409 . 56 LYS C C 174.99 0.03 . 410 . 56 LYS CA C 55.03 0.08 . 411 . 56 LYS CB C 34.11 0.06 . 412 . 56 LYS H H 7.70 0.00 . 413 . 56 LYS HA H 4.34 0.00 . 414 . 56 LYS HB2 H 1.84 0.00 . 415 . 56 LYS HB3 H 1.74 0.00 . 416 . 56 LYS N N 124.47 0.02 . 417 . 57 ALA C C 177.27 0.02 . 418 . 57 ALA CA C 51.89 0.03 . 419 . 57 ALA CB C 17.06 0.03 . 420 . 57 ALA H H 8.68 0.01 . 421 . 57 ALA HA H 4.71 0.01 . 422 . 57 ALA HB H 1.25 0.04 . 423 . 57 ALA N N 129.48 1.50 . 424 . 58 ILE C C 176.47 0.02 . 425 . 58 ILE CA C 62.29 0.06 . 426 . 58 ILE CB C 38.37 0.10 . 427 . 58 ILE H H 8.57 0.01 . 428 . 58 ILE HA H 4.26 0.01 . 429 . 58 ILE HB H 1.84 0.00 . 430 . 58 ILE N N 123.46 0.01 . 431 . 59 ILE C C 175.02 0.07 . 432 . 59 ILE CA C 62.31 0.09 . 433 . 59 ILE CB C 42.20 0.01 . 434 . 59 ILE H H 7.60 0.01 . 435 . 59 ILE HA H 4.24 0.01 . 436 . 59 ILE HB H 1.70 0.00 . 437 . 59 ILE N N 119.17 0.03 . 438 . 60 ASN C C 174.48 0.02 . 439 . 60 ASN CA C 53.01 0.10 . 440 . 60 ASN CB C 37.67 0.20 . 441 . 60 ASN H H 7.64 0.02 . 442 . 60 ASN HA H 5.05 0.02 . 443 . 60 ASN HB2 H 2.86 0.03 . 444 . 60 ASN HB3 H 2.43 0.02 . 445 . 60 ASN N N 125.75 0.06 . 446 . 61 SER C C 174.65 0.05 . 447 . 61 SER CA C 56.75 0.05 . 448 . 61 SER CB C 65.97 0.12 . 449 . 61 SER H H 8.98 0.01 . 450 . 61 SER HA H 5.09 0.02 . 451 . 61 SER HB2 H 3.89 0.03 . 452 . 61 SER HB3 H 3.82 0.02 . 453 . 61 SER N N 120.71 0.05 . 454 . 62 THR C C 173.82 0.03 . 455 . 62 THR CA C 63.06 0.05 . 456 . 62 THR CB C 69.36 0.12 . 457 . 62 THR H H 8.99 0.01 . 458 . 62 THR HA H 4.51 0.00 . 459 . 62 THR HB H 4.06 0.04 . 460 . 62 THR HG2 H 1.12 0.00 . 461 . 62 THR N N 127.99 0.02 . 462 . 63 ILE C C 176.01 0.02 . 463 . 63 ILE CA C 62.34 0.09 . 464 . 63 ILE CB C 37.16 0.00 . 465 . 63 ILE H H 8.58 0.02 . 466 . 63 ILE HA H 4.29 0.02 . 467 . 63 ILE HB H 1.65 0.03 . 468 . 63 ILE N N 128.66 0.04 . 469 . 64 THR C C 173.59 0.00 . 470 . 64 THR CA C 58.26 0.03 . 471 . 64 THR CB C 68.59 0.00 . 472 . 64 THR H H 7.92 0.01 . 473 . 64 THR N N 121.89 0.07 . 474 . 65 PRO C C 176.03 0.00 . 475 . 65 PRO CA C 64.56 0.03 . 476 . 65 PRO CB C 32.08 0.00 . 477 . 65 PRO HA H 4.34 0.01 . 478 . 65 PRO HB2 H 1.92 0.01 . 479 . 65 PRO HG2 H 2.09 0.00 . 480 . 66 ASN C C 175.45 0.02 . 481 . 66 ASN CA C 52.61 0.02 . 482 . 66 ASN CB C 38.41 0.05 . 483 . 66 ASN H H 7.89 0.01 . 484 . 66 ASN HA H 4.81 0.02 . 485 . 66 ASN HB2 H 2.91 0.01 . 486 . 66 ASN HB3 H 2.77 0.01 . 487 . 66 ASN N N 113.12 0.03 . 488 . 67 MET C C 175.46 0.01 . 489 . 67 MET CA C 56.99 0.07 . 490 . 67 MET CB C 36.09 0.02 . 491 . 67 MET H H 7.52 0.03 . 492 . 67 MET HA H 4.69 0.01 . 493 . 67 MET N N 123.14 0.02 . 494 . 68 THR C C 171.98 0.06 . 495 . 68 THR CA C 61.61 0.08 . 496 . 68 THR CB C 72.00 0.09 . 497 . 68 THR H H 8.70 0.02 . 498 . 68 THR HA H 4.55 0.01 . 499 . 68 THR HB H 3.91 0.01 . 500 . 68 THR N N 117.26 0.06 . 501 . 69 PHE C C 175.04 0.02 . 502 . 69 PHE CA C 56.43 0.08 . 503 . 69 PHE CB C 38.65 0.06 . 504 . 69 PHE H H 8.44 0.01 . 505 . 69 PHE HA H 4.87 0.02 . 506 . 69 PHE HB2 H 2.48 0.03 . 507 . 69 PHE N N 130.85 0.04 . 508 . 70 THR C C 173.16 0.04 . 509 . 70 THR CA C 60.70 0.07 . 510 . 70 THR CB C 70.51 0.03 . 511 . 70 THR H H 8.71 0.01 . 512 . 70 THR HA H 4.37 0.01 . 513 . 70 THR HB H 3.64 0.01 . 514 . 70 THR HG2 H 1.02 0.00 . 515 . 70 THR N N 126.30 0.04 . 516 . 71 LYS C C 176.02 0.02 . 517 . 71 LYS CA C 56.11 0.03 . 518 . 71 LYS CB C 32.04 0.01 . 519 . 71 LYS H H 8.71 0.01 . 520 . 71 LYS HA H 4.49 0.01 . 521 . 71 LYS HB2 H 1.82 0.01 . 522 . 71 LYS HG2 H 1.67 0.00 . 523 . 71 LYS N N 128.29 0.03 . 524 . 72 THR C C 174.31 0.05 . 525 . 72 THR CA C 63.13 0.05 . 526 . 72 THR CB C 69.05 0.00 . 527 . 72 THR H H 8.55 0.01 . 528 . 72 THR HA H 4.27 0.01 . 529 . 72 THR HB H 4.13 0.00 . 530 . 72 THR HG2 H 1.14 0.00 . 531 . 72 THR N N 121.91 0.06 . 532 . 73 SER C C 173.71 0.00 . 533 . 73 SER CA C 57.06 0.04 . 534 . 73 SER CB C 63.71 0.07 . 535 . 73 SER H H 8.43 0.01 . 536 . 73 SER HA H 4.51 0.03 . 537 . 73 SER HB2 H 4.06 0.00 . 538 . 73 SER HB3 H 3.85 0.02 . 539 . 73 SER N N 117.80 0.02 . 540 . 74 GLN C C 175.45 0.00 . 541 . 74 GLN CA C 59.33 0.00 . 542 . 74 GLN H H 8.39 0.01 . 543 . 74 GLN N N 118.62 0.02 . 544 . 75 LYS C C 174.12 0.08 . 545 . 75 LYS CA C 55.57 0.02 . 546 . 75 LYS CB C 33.48 0.00 . 547 . 75 LYS HA H 4.37 0.00 . 548 . 75 LYS HB2 H 2.11 0.00 . 549 . 75 LYS HB3 H 1.84 0.00 . 550 . 76 PHE C C 174.38 0.04 . 551 . 76 PHE CA C 56.21 0.05 . 552 . 76 PHE CB C 43.77 0.03 . 553 . 76 PHE H H 7.40 0.02 . 554 . 76 PHE HA H 4.36 0.00 . 555 . 76 PHE HB2 H 2.52 0.00 . 556 . 76 PHE N N 125.49 0.08 . 557 . 77 GLY C C 169.74 0.08 . 558 . 77 GLY CA C 45.31 0.08 . 559 . 77 GLY H H 7.97 0.01 . 560 . 77 GLY HA2 H 5.49 0.00 . 561 . 77 GLY HA3 H 4.79 0.02 . 562 . 77 GLY N N 114.15 0.02 . 563 . 78 GLN C C 173.80 0.02 . 564 . 78 GLN CA C 53.45 0.09 . 565 . 78 GLN CB C 35.20 0.02 . 566 . 78 GLN H H 7.96 0.10 . 567 . 78 GLN HA H 4.18 0.00 . 568 . 78 GLN HB2 H 1.89 0.00 . 569 . 78 GLN N N 115.67 1.99 . 570 . 79 TRP C C 171.95 0.05 . 571 . 79 TRP CA C 57.88 0.07 . 572 . 79 TRP CB C 34.42 0.00 . 573 . 79 TRP H H 8.95 0.02 . 574 . 79 TRP HA H 5.20 0.02 . 575 . 79 TRP HB2 H 3.31 0.03 . 576 . 79 TRP N N 121.05 0.04 . 577 . 80 ALA C C 177.25 0.00 . 578 . 80 ALA CA C 50.96 0.06 . 579 . 80 ALA CB C 20.34 0.07 . 580 . 80 ALA H H 8.56 0.01 . 581 . 80 ALA HA H 4.75 0.01 . 582 . 80 ALA HB H 1.45 0.02 . 583 . 80 ALA N N 124.27 0.14 . 584 . 81 ASP CA C 52.59 0.00 . 585 . 81 ASP CB C 43.68 0.00 . 586 . 81 ASP H H 8.46 0.01 . 587 . 81 ASP N N 123.73 0.07 . 588 . 82 SER C C 176.61 0.01 . 589 . 82 SER CA C 60.86 0.06 . 590 . 82 SER CB C 62.90 0.00 . 591 . 82 SER HA H 4.33 0.01 . 592 . 82 SER HB2 H 3.95 0.02 . 593 . 83 ARG C C 177.78 0.02 . 594 . 83 ARG CA C 58.41 0.05 . 595 . 83 ARG CB C 29.49 0.03 . 596 . 83 ARG H H 8.38 0.01 . 597 . 83 ARG HA H 4.08 0.01 . 598 . 83 ARG HB2 H 2.22 0.00 . 599 . 83 ARG HB3 H 1.36 0.00 . 600 . 83 ARG N N 125.53 0.08 . 601 . 84 ALA C C 176.91 0.00 . 602 . 84 ALA CA C 51.52 0.06 . 603 . 84 ALA CB C 19.41 0.02 . 604 . 84 ALA H H 7.88 0.01 . 605 . 84 ALA HA H 4.26 0.00 . 606 . 84 ALA HB H 1.34 0.00 . 607 . 84 ALA N N 122.13 0.02 . 608 . 85 ASN C C 173.74 0.06 . 609 . 85 ASN CA C 53.29 0.07 . 610 . 85 ASN CB C 37.01 0.01 . 611 . 85 ASN H H 7.91 0.01 . 612 . 85 ASN HA H 4.28 0.01 . 613 . 85 ASN HB2 H 3.11 0.01 . 614 . 85 ASN HB3 H 2.49 0.02 . 615 . 85 ASN N N 118.29 0.05 . 616 . 86 THR C C 172.09 0.07 . 617 . 86 THR CA C 60.12 0.04 . 618 . 86 THR CB C 69.94 0.01 . 619 . 86 THR H H 7.64 0.01 . 620 . 86 THR HA H 4.40 0.01 . 621 . 86 THR HB H 3.58 0.01 . 622 . 86 THR HG2 H 0.26 0.00 . 623 . 86 THR N N 111.80 0.02 . 624 . 87 VAL C C 174.57 0.02 . 625 . 87 VAL CA C 61.33 0.06 . 626 . 87 VAL CB C 33.89 0.09 . 627 . 87 VAL H H 7.79 0.01 . 628 . 87 VAL HA H 4.26 0.01 . 629 . 87 VAL HB H 1.54 0.02 . 630 . 87 VAL HG1 H 1.14 0.00 . 631 . 87 VAL N N 126.22 0.05 . 632 . 88 TYR C C 174.30 0.05 . 633 . 88 TYR CA C 57.33 0.05 . 634 . 88 TYR CB C 39.83 0.00 . 635 . 88 TYR H H 8.26 0.01 . 636 . 88 TYR HA H 4.86 0.02 . 637 . 88 TYR HB2 H 1.98 0.02 . 638 . 88 TYR N N 127.04 0.06 . 639 . 89 GLY C C 171.04 0.01 . 640 . 89 GLY CA C 44.05 0.04 . 641 . 89 GLY H H 8.64 0.01 . 642 . 89 GLY HA2 H 4.54 0.02 . 643 . 89 GLY N N 109.61 0.02 . 644 . 90 LEU C C 173.82 0.03 . 645 . 90 LEU CA C 52.14 0.04 . 646 . 90 LEU CB C 46.17 0.00 . 647 . 90 LEU H H 8.28 0.02 . 648 . 90 LEU HA H 5.12 0.02 . 649 . 90 LEU HB2 H 3.02 0.00 . 650 . 90 LEU HB3 H 2.54 0.00 . 651 . 90 LEU HD1 H 0.52 0.21 . 652 . 90 LEU HG H 1.24 0.00 . 653 . 90 LEU N N 123.76 0.06 . 654 . 91 GLY C C 174.30 0.05 . 655 . 91 GLY CA C 44.65 0.05 . 656 . 91 GLY H H 9.05 0.01 . 657 . 91 GLY HA2 H 4.94 0.02 . 658 . 91 GLY HA3 H 3.59 0.01 . 659 . 91 GLY N N 107.92 0.03 . 660 . 92 PHE C C 176.15 0.00 . 661 . 92 PHE CA C 57.68 0.00 . 662 . 92 PHE CB C 42.32 0.00 . 663 . 92 PHE H H 9.25 0.01 . 664 . 92 PHE N N 126.13 0.02 . 665 . 96 HIS C C 177.73 0.06 . 666 . 96 HIS CA C 59.00 0.05 . 667 . 96 HIS CB C 29.63 0.00 . 668 . 96 HIS H H 7.44 0.00 . 669 . 96 HIS HA H 4.30 0.02 . 670 . 96 HIS HB2 H 3.02 0.01 . 671 . 96 HIS HB3 H 2.91 0.02 . 672 . 96 HIS N N 116.30 0.01 . 673 . 97 HIS C C 178.42 0.03 . 674 . 97 HIS CA C 59.20 0.06 . 675 . 97 HIS CB C 31.64 0.00 . 676 . 97 HIS H H 7.50 0.01 . 677 . 97 HIS HA H 4.29 0.01 . 678 . 97 HIS HB2 H 3.39 0.00 . 679 . 97 HIS HB3 H 3.20 0.00 . 680 . 97 HIS N N 119.68 0.04 . 681 . 98 LEU C C 177.86 0.03 . 682 . 98 LEU CA C 57.99 0.05 . 683 . 98 LEU CB C 40.56 0.26 . 684 . 98 LEU H H 7.00 0.01 . 685 . 98 LEU HA H 4.13 0.01 . 686 . 98 LEU HB2 H 2.49 0.00 . 687 . 98 LEU N N 123.69 0.04 . 688 . 99 SER C C 177.05 0.01 . 689 . 99 SER CA C 62.04 0.16 . 690 . 99 SER CB C 56.26 0.00 . 691 . 99 SER H H 8.36 0.01 . 692 . 99 SER HA H 3.87 0.00 . 693 . 99 SER N N 116.32 0.04 . 694 . 100 LYS C C 178.22 0.04 . 695 . 100 LYS CA C 57.56 0.04 . 696 . 100 LYS CB C 30.99 0.13 . 697 . 100 LYS H H 7.90 0.01 . 698 . 100 LYS HA H 3.88 0.02 . 699 . 100 LYS HB2 H 1.80 0.01 . 700 . 100 LYS N N 122.41 0.07 . 701 . 101 PHE C C 177.89 0.02 . 702 . 101 PHE CA C 62.85 0.09 . 703 . 101 PHE H H 7.76 0.01 . 704 . 101 PHE HA H 4.43 0.00 . 705 . 101 PHE HB2 H 2.27 0.00 . 706 . 101 PHE HB3 H 1.89 0.00 . 707 . 101 PHE N N 121.64 0.03 . 708 . 102 ALA C C 179.52 0.03 . 709 . 102 ALA CA C 54.36 0.08 . 710 . 102 ALA CB C 18.49 0.03 . 711 . 102 ALA H H 8.44 0.02 . 712 . 102 ALA HA H 4.50 0.00 . 713 . 102 ALA HB H 1.44 0.00 . 714 . 102 ALA N N 123.29 0.02 . 715 . 103 GLU C C 176.99 5.01 . 716 . 103 GLU CA C 58.83 0.07 . 717 . 103 GLU CB C 29.49 0.02 . 718 . 103 GLU H H 7.98 0.01 . 719 . 103 GLU HA H 3.77 0.01 . 720 . 103 GLU HB2 H 1.93 0.01 . 721 . 103 GLU HB3 H 1.82 0.02 . 722 . 103 GLU HG2 H 2.23 0.00 . 723 . 103 GLU N N 121.58 0.05 . 724 . 104 LYS C C 175.60 0.01 . 725 . 104 LYS CA C 56.00 0.07 . 726 . 104 LYS CB C 29.58 0.00 . 727 . 104 LYS H H 7.04 0.02 . 728 . 104 LYS HA H 4.65 0.00 . 729 . 104 LYS N N 120.41 0.07 . 730 . 105 PHE C C 177.79 0.02 . 731 . 105 PHE CA C 61.55 0.05 . 732 . 105 PHE CB C 38.42 0.07 . 733 . 105 PHE H H 7.38 0.01 . 734 . 105 PHE HA H 4.81 0.02 . 735 . 105 PHE HB2 H 2.98 0.13 . 736 . 105 PHE HB3 H 2.83 0.09 . 737 . 105 PHE N N 122.78 0.02 . 738 . 106 GLN C C 177.93 0.01 . 739 . 106 GLN CA C 58.23 0.03 . 740 . 106 GLN CB C 27.82 0.01 . 741 . 106 GLN H H 7.47 0.01 . 742 . 106 GLN HA H 3.92 0.01 . 743 . 106 GLN N N 116.73 0.06 . 744 . 107 GLU C C 179.82 0.02 . 745 . 107 GLU CA C 58.88 0.05 . 746 . 107 GLU CB C 28.82 0.01 . 747 . 107 GLU H H 7.44 0.01 . 748 . 107 GLU HA H 5.20 0.01 . 749 . 107 GLU N N 122.16 0.04 . 750 . 108 PHE C C 177.51 0.02 . 751 . 108 PHE CA C 57.70 0.06 . 752 . 108 PHE CB C 36.49 0.28 . 753 . 108 PHE H H 7.85 0.01 . 754 . 108 PHE HA H 4.40 0.00 . 755 . 108 PHE HB2 H 3.55 0.00 . 756 . 108 PHE N N 121.58 0.06 . 757 . 109 LYS C C 178.74 0.04 . 758 . 109 LYS CA C 59.92 0.06 . 759 . 109 LYS CB C 32.16 0.03 . 760 . 109 LYS H H 8.47 0.01 . 761 . 109 LYS HA H 5.19 0.00 . 762 . 109 LYS N N 124.99 0.08 . 763 . 110 GLU C C 178.88 0.03 . 764 . 110 GLU CA C 57.98 0.14 . 765 . 110 GLU CB C 28.58 0.01 . 766 . 110 GLU H H 7.72 0.01 . 767 . 110 GLU HA H 4.31 0.00 . 768 . 110 GLU HB2 H 1.86 0.00 . 769 . 110 GLU HB3 H 1.72 0.00 . 770 . 110 GLU N N 120.64 0.03 . 771 . 111 ALA C C 180.91 0.01 . 772 . 111 ALA CA C 54.97 0.05 . 773 . 111 ALA CB C 17.54 0.00 . 774 . 111 ALA H H 7.85 0.03 . 775 . 111 ALA HA H 4.11 0.00 . 776 . 111 ALA HB H 1.90 0.00 . 777 . 111 ALA N N 124.35 0.04 . 778 . 112 ALA C C 180.26 0.00 . 779 . 112 ALA CA C 54.41 0.05 . 780 . 112 ALA CB C 17.76 0.04 . 781 . 112 ALA H H 8.36 0.01 . 782 . 112 ALA HA H 4.15 0.02 . 783 . 112 ALA HB H 1.77 0.00 . 784 . 112 ALA N N 123.35 0.05 . 785 . 113 ARG C C 178.39 0.04 . 786 . 113 ARG CA C 57.63 0.04 . 787 . 113 ARG CB C 30.13 0.12 . 788 . 113 ARG H H 8.14 0.02 . 789 . 113 ARG HA H 4.35 0.01 . 790 . 113 ARG HB2 H 1.80 0.00 . 791 . 113 ARG N N 122.90 0.07 . 792 . 114 LEU C C 178.90 0.03 . 793 . 114 LEU CA C 57.00 0.04 . 794 . 114 LEU CB C 41.70 0.05 . 795 . 114 LEU H H 8.18 0.03 . 796 . 114 LEU HA H 4.20 0.00 . 797 . 114 LEU HB2 H 1.94 0.00 . 798 . 114 LEU N N 121.84 0.09 . 799 . 115 ALA C C 179.53 0.03 . 800 . 115 ALA CA C 54.14 0.03 . 801 . 115 ALA CB C 18.24 0.05 . 802 . 115 ALA H H 7.96 0.01 . 803 . 115 ALA HA H 4.33 0.00 . 804 . 115 ALA HB H 1.51 0.00 . 805 . 115 ALA N N 123.01 0.10 . 806 . 116 LYS C C 178.22 0.03 . 807 . 116 LYS CA C 57.56 0.06 . 808 . 116 LYS CB C 32.31 0.05 . 809 . 116 LYS H H 7.78 0.01 . 810 . 116 LYS HA H 4.18 0.00 . 811 . 116 LYS HB2 H 1.85 0.00 . 812 . 116 LYS N N 120.59 0.07 . 813 . 117 GLU C C 177.83 0.02 . 814 . 117 GLU CA C 58.00 0.04 . 815 . 117 GLU CB C 29.74 0.05 . 816 . 117 GLU H H 8.11 0.02 . 817 . 117 GLU HA H 4.35 0.00 . 818 . 117 GLU N N 121.90 0.06 . 819 . 118 LYS C C 177.32 0.03 . 820 . 118 LYS CA C 56.96 0.05 . 821 . 118 LYS CB C 32.34 0.04 . 822 . 118 LYS H H 8.04 0.01 . 823 . 118 LYS HA H 4.23 0.00 . 824 . 118 LYS N N 121.30 0.04 . 825 . 119 SER C C 174.67 0.02 . 826 . 119 SER CA C 59.16 0.03 . 827 . 119 SER CB C 63.46 0.08 . 828 . 119 SER H H 7.95 0.01 . 829 . 119 SER HA H 4.18 0.01 . 830 . 119 SER HB2 H 3.79 0.00 . 831 . 119 SER N N 117.16 0.06 . 832 . 120 GLN C C 175.82 0.00 . 833 . 120 GLN CB C 32.68 0.00 . 834 . 120 GLN H H 8.13 0.01 . 835 . 120 GLN N N 122.94 0.05 . 836 . 121 GLU C C 176.28 0.00 . 837 . 121 GLU CA C 56.96 0.11 . 838 . 121 GLU CB C 28.92 0.04 . 839 . 121 GLU HA H 4.36 0.00 . 840 . 122 LYS C C 176.59 0.04 . 841 . 122 LYS CA C 56.17 0.06 . 842 . 122 LYS CB C 32.60 0.06 . 843 . 122 LYS H H 8.13 0.01 . 844 . 122 LYS HA H 4.17 0.00 . 845 . 122 LYS N N 122.91 0.05 . 846 . 123 MET C C 176.09 0.10 . 847 . 123 MET CA C 55.58 0.06 . 848 . 123 MET CB C 32.76 0.01 . 849 . 123 MET H H 8.21 0.02 . 850 . 123 MET HA H 4.33 0.00 . 851 . 123 MET HB2 H 2.19 0.00 . 852 . 123 MET HB3 H 1.83 0.00 . 853 . 123 MET N N 123.21 0.10 . 854 . 124 GLU C C 176.37 0.01 . 855 . 124 GLU CA C 56.36 0.05 . 856 . 124 GLU CB C 30.15 0.07 . 857 . 124 GLU H H 8.31 0.04 . 858 . 124 GLU HA H 4.23 0.00 . 859 . 124 GLU HB2 H 1.80 0.00 . 860 . 124 GLU HB3 H 1.61 0.00 . 861 . 124 GLU N N 123.65 0.10 . 862 . 125 LEU C C 177.49 0.01 . 863 . 125 LEU CA C 55.12 0.06 . 864 . 125 LEU CB C 42.17 0.04 . 865 . 125 LEU H H 8.27 0.01 . 866 . 125 LEU HA H 4.39 0.03 . 867 . 125 LEU HB2 H 2.68 0.01 . 868 . 125 LEU HB3 H 2.60 0.00 . 869 . 125 LEU N N 124.86 0.04 . 870 . 126 THR C C 174.39 0.04 . 871 . 126 THR CA C 61.50 0.05 . 872 . 126 THR CB C 69.65 0.08 . 873 . 126 THR H H 8.02 0.02 . 874 . 126 THR HA H 4.15 0.00 . 875 . 126 THR HG2 H 1.38 0.00 . 876 . 126 THR N N 115.90 0.16 . 877 . 127 SER C C 174.23 0.07 . 878 . 127 SER CA C 57.93 0.07 . 879 . 127 SER CB C 63.69 0.07 . 880 . 127 SER H H 8.18 0.01 . 881 . 127 SER HA H 4.34 0.27 . 882 . 127 SER HB2 H 3.77 0.00 . 883 . 127 SER N N 119.58 0.04 . 884 . 128 THR C C 172.93 0.00 . 885 . 128 THR CA C 59.58 0.01 . 886 . 128 THR CB C 69.53 0.00 . 887 . 128 THR H H 8.14 0.01 . 888 . 128 THR N N 119.82 0.05 . 889 . 129 PRO C C 176.99 0.00 . 890 . 129 PRO CA C 63.19 0.05 . 891 . 129 PRO CB C 31.90 0.00 . 892 . 129 PRO HA H 4.36 0.00 . 893 . 129 PRO HB2 H 2.22 0.00 . 894 . 130 SER C C 174.66 0.02 . 895 . 130 SER CA C 58.24 0.03 . 896 . 130 SER CB C 63.58 0.09 . 897 . 130 SER H H 8.32 0.02 . 898 . 130 SER HA H 4.41 0.00 . 899 . 130 SER HB2 H 3.98 0.00 . 900 . 130 SER N N 117.77 0.06 . 901 . 131 GLN C C 176.11 0.02 . 902 . 131 GLN CA C 55.88 0.03 . 903 . 131 GLN CB C 29.24 0.01 . 904 . 131 GLN H H 8.37 0.02 . 905 . 131 GLN HA H 4.27 0.00 . 906 . 131 GLN N N 123.87 0.08 . 907 . 132 GLU C C 176.63 0.03 . 908 . 132 GLU CA C 56.65 0.06 . 909 . 132 GLU CB C 30.03 0.04 . 910 . 132 GLU H H 8.35 0.01 . 911 . 132 GLU HA H 4.20 0.00 . 912 . 132 GLU HB2 H 1.97 0.00 . 913 . 132 GLU HB3 H 1.85 0.00 . 914 . 132 GLU N N 123.41 0.06 . 915 . 133 SER C C 174.41 0.05 . 916 . 133 SER CA C 58.02 0.04 . 917 . 133 SER CB C 63.65 0.00 . 918 . 133 SER H H 8.20 0.01 . 919 . 133 SER HA H 4.36 0.00 . 920 . 133 SER HB2 H 4.12 0.00 . 921 . 133 SER N N 118.15 0.04 . 922 . 134 ALA C C 178.13 0.02 . 923 . 134 ALA CA C 52.47 0.07 . 924 . 134 ALA CB C 19.11 0.01 . 925 . 134 ALA H H 8.26 0.01 . 926 . 134 ALA HA H 4.29 0.01 . 927 . 134 ALA HB H 1.34 0.02 . 928 . 134 ALA N N 127.82 0.02 . 929 . 135 GLY C C 174.72 0.03 . 930 . 135 GLY CA C 45.21 0.04 . 931 . 135 GLY H H 8.25 0.01 . 932 . 135 GLY HA2 H 3.89 0.01 . 933 . 135 GLY N N 109.54 0.08 . 934 . 136 GLY C C 173.93 0.03 . 935 . 136 GLY CA C 45.07 0.04 . 936 . 136 GLY H H 8.13 0.01 . 937 . 136 GLY HA2 H 3.89 0.01 . 938 . 136 GLY N N 110.32 0.05 . 939 . 137 ASP C C 176.27 0.04 . 940 . 137 ASP CA C 54.07 0.07 . 941 . 137 ASP CB C 40.96 0.03 . 942 . 137 ASP H H 8.22 0.01 . 943 . 137 ASP HA H 4.53 0.01 . 944 . 137 ASP HB2 H 2.62 0.00 . 945 . 137 ASP HB3 H 2.50 0.01 . 946 . 137 ASP N N 121.82 0.03 . 947 . 138 LEU C C 177.35 0.02 . 948 . 138 LEU CA C 55.13 0.05 . 949 . 138 LEU CB C 42.01 0.04 . 950 . 138 LEU H H 8.08 0.01 . 951 . 138 LEU HA H 4.28 0.02 . 952 . 138 LEU HB2 H 1.55 0.03 . 953 . 138 LEU HD1 H 0.86 0.00 . 954 . 138 LEU HD2 H 0.81 0.00 . 955 . 138 LEU HG H 1.36 0.00 . 956 . 138 LEU N N 123.77 0.03 . 957 . 139 GLN C C 175.77 0.03 . 958 . 139 GLN CA C 55.39 0.06 . 959 . 139 GLN CB C 29.30 0.04 . 960 . 139 GLN H H 8.23 0.01 . 961 . 139 GLN HA H 4.31 0.00 . 962 . 139 GLN HB2 H 1.70 0.00 . 963 . 139 GLN N N 122.31 0.02 . 964 . 140 SER CA C 56.15 0.05 . 965 . 140 SER CB C 63.16 0.00 . 966 . 140 SER H H 8.18 0.01 . 967 . 140 SER N N 119.91 0.14 . 968 . 141 PRO C C 176.72 0.01 . 969 . 141 PRO CA C 62.91 0.05 . 970 . 141 PRO CB C 31.87 0.02 . 971 . 141 PRO HA H 4.51 0.00 . 972 . 141 PRO HB2 H 2.61 0.00 . 973 . 141 PRO HB3 H 2.50 0.02 . 974 . 142 LEU C C 177.25 0.01 . 975 . 142 LEU CA C 54.91 0.05 . 976 . 142 LEU CB C 42.02 0.04 . 977 . 142 LEU H H 8.15 0.02 . 978 . 142 LEU HA H 4.47 0.01 . 979 . 142 LEU HB2 H 2.24 0.00 . 980 . 142 LEU HB3 H 2.06 0.00 . 981 . 142 LEU N N 123.67 0.07 . 982 . 143 THR C C 173.03 0.00 . 983 . 143 THR CA C 59.21 0.05 . 984 . 143 THR CB C 69.31 0.00 . 985 . 143 THR H H 7.96 0.04 . 986 . 143 THR N N 118.16 0.07 . 987 . 144 PRO C C 176.94 0.04 . 988 . 144 PRO CA C 63.37 0.07 . 989 . 144 PRO CB C 31.89 0.06 . 990 . 144 PRO HA H 4.41 0.02 . 991 . 144 PRO HB2 H 2.25 0.02 . 992 . 144 PRO HB3 H 1.91 0.02 . 993 . 145 GLU C C 176.50 0.02 . 994 . 145 GLU CA C 56.92 0.06 . 995 . 145 GLU CB C 29.84 0.06 . 996 . 145 GLU H H 8.43 0.01 . 997 . 145 GLU HA H 4.20 0.02 . 998 . 145 GLU HB2 H 1.98 0.03 . 999 . 145 GLU HB3 H 1.86 0.03 . 1000 . 145 GLU HG2 H 2.21 0.00 . 1001 . 145 GLU N N 121.71 0.19 . 1002 . 146 SER C C 174.65 0.03 . 1003 . 146 SER CA C 58.20 0.05 . 1004 . 146 SER CB C 63.58 0.03 . 1005 . 146 SER H H 8.13 0.01 . 1006 . 146 SER HA H 4.37 0.00 . 1007 . 146 SER N N 118.00 0.04 . 1008 . 147 ILE C C 176.07 0.05 . 1009 . 147 ILE CA C 61.16 0.06 . 1010 . 147 ILE CB C 38.49 0.01 . 1011 . 147 ILE H H 7.98 0.01 . 1012 . 147 ILE HA H 4.15 0.00 . 1013 . 147 ILE N N 123.66 0.05 . 1014 . 148 ASN C C 175.61 0.02 . 1015 . 148 ASN CA C 53.11 0.08 . 1016 . 148 ASN CB C 38.94 0.02 . 1017 . 148 ASN H H 8.36 0.00 . 1018 . 148 ASN HA H 4.67 0.01 . 1019 . 148 ASN HB2 H 2.76 0.04 . 1020 . 148 ASN HB3 H 2.64 0.07 . 1021 . 148 ASN N N 123.46 0.04 . 1022 . 149 GLY C C 174.34 0.04 . 1023 . 149 GLY CA C 45.30 0.04 . 1024 . 149 GLY H H 8.23 0.02 . 1025 . 149 GLY HA2 H 3.94 0.01 . 1026 . 149 GLY N N 111.12 0.06 . 1027 . 150 THR C C 174.57 0.03 . 1028 . 150 THR CA C 61.50 0.05 . 1029 . 150 THR CB C 69.73 0.02 . 1030 . 150 THR H H 8.00 0.01 . 1031 . 150 THR HA H 4.32 0.01 . 1032 . 150 THR HB H 4.18 0.01 . 1033 . 150 THR HG2 H 1.13 0.00 . 1034 . 150 THR N N 114.59 0.07 . 1035 . 151 ASP C C 176.05 0.01 . 1036 . 151 ASP CA C 54.45 0.03 . 1037 . 151 ASP CB C 40.96 0.01 . 1038 . 151 ASP H H 8.35 0.01 . 1039 . 151 ASP HA H 4.54 0.01 . 1040 . 151 ASP HB2 H 2.63 0.00 . 1041 . 151 ASP HB3 H 2.53 0.01 . 1042 . 151 ASP N N 123.97 0.02 . 1043 . 152 ASP C C 176.29 0.02 . 1044 . 152 ASP CA C 54.39 0.02 . 1045 . 152 ASP CB C 41.05 0.01 . 1046 . 152 ASP H H 8.13 0.02 . 1047 . 152 ASP HA H 4.50 0.03 . 1048 . 152 ASP HB2 H 2.62 0.02 . 1049 . 152 ASP HB3 H 2.52 0.02 . 1050 . 152 ASP N N 122.10 0.06 . 1051 . 153 GLU C C 176.43 0.02 . 1052 . 153 GLU CA C 56.51 0.07 . 1053 . 153 GLU CB C 29.83 0.03 . 1054 . 153 GLU H H 8.21 0.02 . 1055 . 153 GLU HA H 4.18 0.03 . 1056 . 153 GLU HB2 H 2.00 0.02 . 1057 . 153 GLU HB3 H 1.88 0.01 . 1058 . 153 GLU HG2 H 2.22 0.00 . 1059 . 153 GLU N N 122.46 0.02 . 1060 . 154 ARG C C 176.26 0.01 . 1061 . 154 ARG CA C 55.68 0.04 . 1062 . 154 ARG CB C 30.68 0.01 . 1063 . 154 ARG H H 8.11 0.01 . 1064 . 154 ARG HA H 4.30 0.00 . 1065 . 154 ARG HB2 H 1.75 0.04 . 1066 . 154 ARG HD2 H 3.14 0.00 . 1067 . 154 ARG HG2 H 2.29 0.00 . 1068 . 154 ARG N N 123.28 0.03 . 1069 . 155 THR C C 173.02 0.00 . 1070 . 155 THR CA C 59.69 0.05 . 1071 . 155 THR CB C 69.23 0.00 . 1072 . 155 THR H H 8.12 0.01 . 1073 . 155 THR N N 119.54 0.07 . 1074 . 156 PRO C C 176.49 0.01 . 1075 . 156 PRO CA C 63.14 0.04 . 1076 . 156 PRO CB C 31.91 0.01 . 1077 . 156 PRO HA H 4.32 0.00 . 1078 . 156 PRO HB2 H 2.19 0.00 . 1079 . 156 PRO HB3 H 1.81 0.00 . 1080 . 157 ASP C C 176.57 0.06 . 1081 . 157 ASP CA C 54.13 0.05 . 1082 . 157 ASP CB C 40.91 0.02 . 1083 . 157 ASP H H 8.29 0.01 . 1084 . 157 ASP HA H 4.50 0.00 . 1085 . 157 ASP HB2 H 2.62 0.00 . 1086 . 157 ASP HB3 H 2.49 0.00 . 1087 . 157 ASP N N 122.11 0.03 . 1088 . 158 VAL C C 176.59 0.01 . 1089 . 158 VAL CA C 62.21 0.04 . 1090 . 158 VAL CB C 32.36 0.08 . 1091 . 158 VAL H H 8.01 0.01 . 1092 . 158 VAL HA H 4.14 0.01 . 1093 . 158 VAL HB H 2.09 0.01 . 1094 . 158 VAL HG1 H 0.87 0.00 . 1095 . 158 VAL N N 121.51 0.05 . 1096 . 159 THR C C 174.76 0.05 . 1097 . 159 THR CA C 62.21 0.04 . 1098 . 159 THR CB C 69.48 0.02 . 1099 . 159 THR H H 8.16 0.01 . 1100 . 159 THR HA H 4.23 0.02 . 1101 . 159 THR HB H 4.12 0.02 . 1102 . 159 THR HG2 H 1.14 0.00 . 1103 . 159 THR N N 118.59 0.13 . 1104 . 160 GLN C C 175.62 0.03 . 1105 . 160 GLN CA C 55.68 0.02 . 1106 . 160 GLN CB C 29.16 0.04 . 1107 . 160 GLN H H 8.20 0.01 . 1108 . 160 GLN HA H 4.27 0.03 . 1109 . 160 GLN HB2 H 2.04 0.01 . 1110 . 160 GLN HB3 H 1.89 0.03 . 1111 . 160 GLN N N 123.81 0.04 . 1112 . 161 ASN C C 175.07 0.03 . 1113 . 161 ASN CA C 53.11 0.07 . 1114 . 161 ASN CB C 38.82 0.05 . 1115 . 161 ASN H H 8.32 0.01 . 1116 . 161 ASN HA H 4.64 0.00 . 1117 . 161 ASN HB2 H 2.71 0.00 . 1118 . 161 ASN N N 121.58 0.07 . 1119 . 162 SER C C 174.10 0.07 . 1120 . 162 SER CA C 58.08 0.09 . 1121 . 162 SER CB C 63.68 0.04 . 1122 . 162 SER H H 8.17 0.01 . 1123 . 162 SER HA H 4.37 0.01 . 1124 . 162 SER HB2 H 3.79 0.03 . 1125 . 162 SER N N 117.80 0.03 . 1126 . 163 GLU C C 174.41 0.00 . 1127 . 163 GLU CA C 54.21 0.03 . 1128 . 163 GLU CB C 29.52 0.00 . 1129 . 163 GLU H H 8.21 0.01 . 1130 . 163 GLU N N 125.32 0.02 . 1131 . 164 PRO C C 174.60 0.00 . 1132 . 164 PRO CA C 62.97 0.05 . 1133 . 164 PRO CB C 31.84 0.01 . 1134 . 164 PRO HA H 4.27 0.00 . 1135 . 164 PRO HB2 H 2.02 0.00 . 1136 . 164 PRO HB3 H 1.39 0.00 . 1137 . 165 ARG C C 175.82 0.00 . 1138 . 165 ARG CA C 55.48 0.06 . 1139 . 165 ARG CB C 30.88 0.02 . 1140 . 165 ARG H H 8.31 0.01 . 1141 . 165 ARG HA H 3.77 0.00 . 1142 . 165 ARG HB2 H 1.75 0.00 . 1143 . 165 ARG N N 123.14 0.04 . 1144 . 166 ALA C C 177.26 0.01 . 1145 . 166 ALA CA C 51.90 0.04 . 1146 . 166 ALA CB C 19.27 0.04 . 1147 . 166 ALA H H 8.25 0.01 . 1148 . 166 ALA HA H 4.41 0.01 . 1149 . 166 ALA HB H 1.82 0.00 . 1150 . 166 ALA N N 127.61 0.18 . 1151 . 167 GLU C C 174.52 0.00 . 1152 . 167 GLU CA C 54.01 0.01 . 1153 . 167 GLU CB C 29.57 0.00 . 1154 . 167 GLU H H 8.23 0.01 . 1155 . 167 GLU N N 123.36 0.06 . 1156 . 168 PRO C C 176.59 0.01 . 1157 . 168 PRO CA C 62.98 0.06 . 1158 . 168 PRO CB C 31.85 0.01 . 1159 . 168 PRO HA H 4.31 0.00 . 1160 . 169 ALA C C 176.29 0.00 . 1161 . 169 ALA CA C 52.38 0.06 . 1162 . 169 ALA CB C 18.93 0.02 . 1163 . 169 ALA H H 8.29 0.01 . 1164 . 169 ALA HA H 4.15 0.02 . 1165 . 169 ALA N N 125.66 0.08 . 1166 . 170 GLN C C 175.75 0.00 . 1167 . 170 GLN CA C 55.89 0.02 . 1168 . 170 GLN CB C 29.06 0.02 . 1169 . 170 GLN H H 8.25 0.02 . 1170 . 170 GLN HA H 4.31 0.00 . 1171 . 170 GLN N N 120.76 0.11 . 1172 . 171 ASN C C 175.48 0.00 . 1173 . 171 ASN CA C 53.05 0.05 . 1174 . 171 ASN CB C 38.66 0.02 . 1175 . 171 ASN H H 8.24 0.03 . 1176 . 171 ASN HA H 4.34 0.03 . 1177 . 171 ASN N N 120.70 0.13 . 1178 . 172 ALA CA C 52.07 0.03 . 1179 . 172 ALA CB C 19.20 0.01 . 1180 . 172 ALA H H 8.00 0.01 . 1181 . 172 ALA HA H 4.38 0.01 . 1182 . 172 ALA HB H 1.92 0.00 . 1183 . 172 ALA N N 125.31 0.11 . 1184 . 173 LEU CA C 52.85 0.03 . 1185 . 173 LEU CB C 41.50 0.00 . 1186 . 173 LEU H H 8.01 0.02 . 1187 . 173 LEU N N 123.98 0.03 . 1188 . 174 PRO C C 177.80 0.02 . 1189 . 174 PRO CA C 63.00 0.06 . 1190 . 174 PRO CB C 31.59 0.00 . 1191 . 174 PRO HA H 4.54 0.01 . 1192 . 174 PRO HB2 H 2.64 0.01 . 1193 . 174 PRO HB3 H 2.52 0.01 . 1194 . 174 PRO HD2 H 4.35 0.00 . 1195 . 175 PHE C C 177.22 0.06 . 1196 . 175 PHE CA C 57.95 0.04 . 1197 . 175 PHE CB C 38.97 0.04 . 1198 . 175 PHE H H 8.02 0.04 . 1199 . 175 PHE HA H 4.32 0.01 . 1200 . 175 PHE HB2 H 1.55 0.00 . 1201 . 175 PHE N N 121.17 0.19 . 1202 . 176 SER C C 174.66 0.00 . 1203 . 176 SER CA C 58.23 0.03 . 1204 . 176 SER CB C 63.72 0.12 . 1205 . 176 SER H H 7.95 0.01 . 1206 . 176 SER HA H 4.36 0.02 . 1207 . 176 SER HB2 H 3.93 0.00 . 1208 . 176 SER HB3 H 3.79 0.03 . 1209 . 176 SER N N 117.51 0.09 . 1210 . 177 HIS CA C 53.68 0.03 . 1211 . 177 HIS CB C 30.74 0.00 . 1212 . 177 HIS H H 7.97 0.01 . 1213 . 177 HIS N N 122.76 0.04 . 1214 . 178 ARG C C 180.10 0.00 . 1215 . 178 ARG CA C 56.07 0.05 . 1216 . 178 ARG CB C 30.47 0.00 . 1217 . 178 ARG HA H 4.29 0.00 . 1218 . 178 ARG HB2 H 2.43 0.00 . 1219 . 178 ARG HB3 H 1.94 0.00 . 1220 . 179 TYR C C 174.74 0.00 . 1221 . 179 TYR CA C 57.48 0.04 . 1222 . 179 TYR CB C 38.64 0.05 . 1223 . 179 TYR H H 8.06 0.02 . 1224 . 179 TYR HA H 3.86 0.00 . 1225 . 179 TYR N N 122.24 0.07 . 1226 . 180 THR C C 174.28 0.04 . 1227 . 180 THR CA C 61.37 0.09 . 1228 . 180 THR CB C 69.68 0.07 . 1229 . 180 THR H H 7.82 0.01 . 1230 . 180 THR HA H 4.40 0.01 . 1231 . 180 THR HB H 3.77 0.00 . 1232 . 180 THR N N 116.94 0.06 . 1233 . 181 PHE C C 176.61 0.00 . 1234 . 181 PHE CA C 57.49 0.09 . 1235 . 181 PHE CB C 39.31 0.06 . 1236 . 181 PHE H H 8.03 0.01 . 1237 . 181 PHE HA H 4.62 0.00 . 1238 . 181 PHE HB2 H 2.76 0.00 . 1239 . 181 PHE N N 123.63 0.06 . 1240 . 182 ASN CA C 52.83 0.01 . 1241 . 182 ASN CB C 38.71 0.04 . 1242 . 182 ASN H H 8.18 0.00 . 1243 . 182 ASN HA H 4.66 0.00 . 1244 . 182 ASN N N 122.36 0.07 . 1245 . 183 SER C C 175.91 0.00 . 1246 . 183 SER CA C 58.54 0.04 . 1247 . 183 SER CB C 63.48 0.09 . 1248 . 183 SER H H 8.09 0.00 . 1249 . 183 SER HA H 4.08 0.00 . 1250 . 183 SER HB2 H 3.72 0.00 . 1251 . 183 SER N N 118.14 0.03 . 1252 . 184 ALA C C 178.78 0.00 . 1253 . 184 ALA CA C 52.47 0.04 . 1254 . 184 ALA CB C 18.99 0.03 . 1255 . 184 ALA H H 8.13 0.01 . 1256 . 184 ALA HA H 4.33 0.01 . 1257 . 184 ALA HB H 1.48 0.00 . 1258 . 184 ALA N N 126.83 0.04 . 1259 . 185 ILE C C 175.91 0.03 . 1260 . 185 ILE CA C 60.80 0.03 . 1261 . 185 ILE CB C 38.46 0.02 . 1262 . 185 ILE H H 7.76 0.01 . 1263 . 185 ILE HA H 3.99 0.01 . 1264 . 185 ILE HB H 1.64 0.00 . 1265 . 185 ILE N N 120.33 0.05 . 1266 . 186 MET C C 174.66 0.05 . 1267 . 186 MET CA C 54.93 0.02 . 1268 . 186 MET CB C 32.82 0.03 . 1269 . 186 MET H H 8.14 0.01 . 1270 . 186 MET HA H 4.27 0.00 . 1271 . 186 MET HB2 H 1.80 0.00 . 1272 . 186 MET HB3 H 1.69 0.00 . 1273 . 186 MET N N 125.83 0.06 . 1274 . 187 ILE C C 175.12 0.00 . 1275 . 187 ILE CA C 60.82 0.01 . 1276 . 187 ILE CB C 38.43 0.03 . 1277 . 187 ILE H H 7.97 0.05 . 1278 . 187 ILE HA H 4.09 0.00 . 1279 . 187 ILE HB H 1.80 0.00 . 1280 . 187 ILE N N 124.81 0.06 . 1281 . 188 LYS CA C 57.53 0.00 . 1282 . 188 LYS CB C 33.74 0.00 . 1283 . 188 LYS H H 7.82 0.01 . 1284 . 188 LYS N N 132.09 0.10 . stop_ save_