data_4378 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Resonance Assignment of un-myristoylated Ca2+-Frequenin, a Synaptic Efficacy Modulator ; _BMRB_accession_number 4378 _BMRB_flat_file_name bmr4378.str _Entry_type original _Submission_date 1999-08-18 _Accession_date 1999-08-18 _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 Kragelund Birthe B. . 2 Hauenschild Alexander . . 3 Carlstrom Goran . . 4 Pongs Olaf . . 5 Finn Bryan E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 893 "13C chemical shifts" 721 "15N chemical shifts" 182 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-13 original author . stop_ _Original_release_date 2000-03-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Kragelund, B. B., Hauenschild, A., Carlstr?m, G., Pongs, O. and Finn B. E. "Letter to the Editor: 1H, 13C, and 15N assignments of un-myristoylated Ca2+-frequenin, a synaptic efficacy modulator" J. Biomol. NMR 16, 85-86 (2000). ; _Citation_title ; Letter to the Editor: 1H, 13C, and 15N assignments of un-myristoylated Ca2+-frequenin, a synaptic efficacy modulator ; _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 Kragelund Birthe B. . 2 Hauenschild Alexander . . 3 Carlstrom Goran . . 4 Pongs Olaf . . 5 Finn Bryan E. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 16 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 85 _Page_last 86 _Year 2000 _Details . loop_ _Keyword calcium EF-hand frequenin NMR 'nuclear magnetic resonance' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Cavanagh, J., Fairbrother, W. J., Palmer, A. G., & Skelton, N. J. (1996) protein NMR spectroscopy, pp 175-176, Academic Press, New York ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_rfrq _Saveframe_category molecular_system _Mol_system_name 'calcium loaded un-myristoylated rat frequenin' _Abbreviation_common rfrq _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rfrq $rfrq Ca-1 $CA Ca-2 $CA Ca-3 $CA stop_ _System_molecular_weight 21861.8 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function ; Frequenin is a Ca2+-binding protein involved in the transduction of nerve stimuli trough synaptic nerve endings where it potentiates neuromitter release ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rfrq _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'calcium loaded un-myristoylated rat frequenin' _Abbreviation_common rfrq _Molecular_mass 21747.56 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 190 _Mol_residue_sequence ; MGKSNSKLKPEVVEELTRKT YFTEKEVQQWYKGFIKDCPS GQLDAAGFQKIYKQFFPFGD PTKFATFVFNVFDENKDGRI EFSEFIQALSVTSRGTLDEK LRWAFKLYDLDNDGYITRNE MLDIVDAIYQMVGNTVELPE EENTPEKRVDRIFAMMDKNA DGKLTLQEFQEGSKADPSIV QALSLYDGLV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 LYS 4 SER 5 ASN 6 SER 7 LYS 8 LEU 9 LYS 10 PRO 11 GLU 12 VAL 13 VAL 14 GLU 15 GLU 16 LEU 17 THR 18 ARG 19 LYS 20 THR 21 TYR 22 PHE 23 THR 24 GLU 25 LYS 26 GLU 27 VAL 28 GLN 29 GLN 30 TRP 31 TYR 32 LYS 33 GLY 34 PHE 35 ILE 36 LYS 37 ASP 38 CYS 39 PRO 40 SER 41 GLY 42 GLN 43 LEU 44 ASP 45 ALA 46 ALA 47 GLY 48 PHE 49 GLN 50 LYS 51 ILE 52 TYR 53 LYS 54 GLN 55 PHE 56 PHE 57 PRO 58 PHE 59 GLY 60 ASP 61 PRO 62 THR 63 LYS 64 PHE 65 ALA 66 THR 67 PHE 68 VAL 69 PHE 70 ASN 71 VAL 72 PHE 73 ASP 74 GLU 75 ASN 76 LYS 77 ASP 78 GLY 79 ARG 80 ILE 81 GLU 82 PHE 83 SER 84 GLU 85 PHE 86 ILE 87 GLN 88 ALA 89 LEU 90 SER 91 VAL 92 THR 93 SER 94 ARG 95 GLY 96 THR 97 LEU 98 ASP 99 GLU 100 LYS 101 LEU 102 ARG 103 TRP 104 ALA 105 PHE 106 LYS 107 LEU 108 TYR 109 ASP 110 LEU 111 ASP 112 ASN 113 ASP 114 GLY 115 TYR 116 ILE 117 THR 118 ARG 119 ASN 120 GLU 121 MET 122 LEU 123 ASP 124 ILE 125 VAL 126 ASP 127 ALA 128 ILE 129 TYR 130 GLN 131 MET 132 VAL 133 GLY 134 ASN 135 THR 136 VAL 137 GLU 138 LEU 139 PRO 140 GLU 141 GLU 142 GLU 143 ASN 144 THR 145 PRO 146 GLU 147 LYS 148 ARG 149 VAL 150 ASP 151 ARG 152 ILE 153 PHE 154 ALA 155 MET 156 MET 157 ASP 158 LYS 159 ASN 160 ALA 161 ASP 162 GLY 163 LYS 164 LEU 165 THR 166 LEU 167 GLN 168 GLU 169 PHE 170 GLN 171 GLU 172 GLY 173 SER 174 LYS 175 ALA 176 ASP 177 PRO 178 SER 179 ILE 180 VAL 181 GLN 182 ALA 183 LEU 184 SER 185 LEU 186 TYR 187 ASP 188 GLY 189 LEU 190 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-29 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 BMRB 16334 Nonmyristoylated_Neuronal_Calcium_Sensor1 100.00 190 100.00 100.00 9.99e-136 BMRB 16726 "myristoylated NCS1" 100.00 190 100.00 100.00 9.99e-136 PDB 1G8I "Crystal Structure Of Human Frequenin (Neuronal Calcium Sensor 1)" 100.00 190 100.00 100.00 9.99e-136 PDB 2LCP "Nmr Structure Of Calcium Loaded, Un-Myristoylated Human Ncs-1" 100.00 190 100.00 100.00 9.99e-136 PDB 4GUK "New Crystal Form Structure Of Human Ncs1" 100.00 190 100.00 100.00 9.99e-136 PDB 4OV2 "Crystal Structure Of C-terminally Truncated Neuronal Calcium Sensor (ncs-1) From Rattus Norvegicus" 93.16 179 100.00 100.00 8.39e-126 PDB 4UYC "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With Rhodopsin Kinase Peptide From Homo Sapiens" 100.00 190 100.00 100.00 9.99e-136 PDB 4YRU "Crystal Structure Of C-terminally Truncated Neuronal Calcium Sensor (ncs-1) From Rattus Norvegicus" 93.16 177 100.00 100.00 9.12e-126 PDB 5AEQ "Neuronal Calcium Sensor (ncs-1)from Rattus Norvegicus" 100.00 190 100.00 100.00 9.99e-136 PDB 5AER "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With D2 Dopamine Receptor Peptide From Homo Sapiens" 100.00 190 100.00 100.00 9.99e-136 PDB 5AFP "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With Rhodopsin Kinase Peptide From Homo Sapiens" 100.00 190 100.00 100.00 9.99e-136 DBJ BAC37557 "unnamed protein product [Mus musculus]" 90.00 171 99.42 100.00 1.66e-120 DBJ BAG73169 "frequenin homolog [synthetic construct]" 100.00 190 100.00 100.00 9.99e-136 EMBL CAA57678 "frequenin-like protein [Rattus norvegicus]" 100.00 190 100.00 100.00 9.99e-136 EMBL CAA58867 "frequenin-like ubiquitous protein [Homo sapiens]" 100.00 190 100.00 100.00 9.99e-136 EMBL CAG05167 "unnamed protein product [Tetraodon nigroviridis]" 100.00 190 97.89 99.47 6.55e-133 EMBL CAH90617 "hypothetical protein [Pongo abelii]" 100.00 190 99.47 99.47 1.83e-134 EMBL CAJ81731 "frequenin homolog (Drosophila) [Xenopus (Silurana) tropicalis]" 100.00 190 99.47 100.00 3.84e-135 GB AAA85633 "mouse neuronal calcium sensor homologue [Gallus gallus]" 100.00 190 100.00 100.00 9.99e-136 GB AAA88510 "neuronal calcium sensor [Rattus norvegicus]" 100.00 190 100.00 100.00 9.99e-136 GB AAC59690 "frequenin [Xenopus laevis]" 100.00 190 98.95 99.47 1.79e-134 GB AAD01642 "neuronal calcium sensor-1 [Mus musculus]" 100.00 190 100.00 100.00 9.99e-136 GB AAF01804 "frequenin [Homo sapiens]" 100.00 190 98.95 98.95 1.27e-133 REF NP_001018350 "neuronal calcium sensor 1 [Danio rerio]" 100.00 190 97.89 100.00 4.00e-133 REF NP_001035637 "neuronal calcium sensor 1 [Bos taurus]" 100.00 190 98.95 99.47 3.17e-134 REF NP_001084088 "neuronal calcium sensor 1 [Xenopus laevis]" 100.00 190 98.95 99.47 1.79e-134 REF NP_001085136 "uncharacterized protein LOC432213 [Xenopus laevis]" 100.00 190 98.95 100.00 1.72e-134 REF NP_001122298 "neuronal calcium sensor 1 isoform 2 [Homo sapiens]" 88.42 172 100.00 100.00 7.06e-119 SP P62166 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" 100.00 190 100.00 100.00 9.99e-136 SP P62167 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" 100.00 190 100.00 100.00 9.99e-136 SP P62168 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" 100.00 190 100.00 100.00 9.99e-136 SP Q2V8Y7 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog" 100.00 190 98.95 99.47 3.17e-134 SP Q5RC90 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog" 100.00 190 99.47 99.47 1.83e-134 TPG DAA24173 "TPA: frequenin homolog [Bos taurus]" 88.42 168 99.40 99.40 1.18e-117 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 17:18:35 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rfrq 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_type _Vector_name _Details $rfrq 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET-16b native stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rfrq 1.4 mM '[U-99% 15N]' CaCl2 8 mM . DTT 14 mM . NaN3 0.2 % . D2O 10 % . H2O 90 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rfrq 1.4 mM '[U-99% 13C]' CaCl2 8 mM . DTT 14 mM . NaN3 0.2 % . D2O 10 % . H2O 90 % . stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rfrq 1.4 mM '[U-99% 13C; U-99% 15N]' CaCl2 8 mM . DTT 14 mM . NaN3 0.2 % . D2O 10 % . H2O 90 % . stop_ save_ save_sample_four _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rfrq 1.4 mM '[U-99% 13C]' CaCl2 8 mM . DTT 14 mM . NaN3 0.2 % . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_software_PRONTO _Saveframe_category software _Name PRONTO _Version 19981230 loop_ _Vendor _Address _Electronic_address 'Carlsberg A/S' 'Gamle Carlsberg Vej 10, DK-2500 VALby' mk@crc.dk stop_ loop_ _Task assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITYplus _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label . save_ save_3D_1H-15N_TOCSY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY-HSQC' _Sample_label . save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCOCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _Sample_label . save_ save_3D_CBCACOHN_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACOHN' _Sample_label . save_ save_3D_CBCACOHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACOHA' _Sample_label . save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_1H-13C_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HSQC' _Sample_label . save_ save_4D_1H-13C_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C NOESY-HSQC' _Sample_label . save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 0.1 na temperature 300 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 _Indirect_shift_ratio_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $ref_1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . . . DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $ref_1 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_A _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two $sample_three $sample_four stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name rfrq _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 . 6 SER C C 176.97 . 1 2 . 6 SER HA H 4.56 . 1 3 . 6 SER CA C 56.78 . 1 4 . 6 SER CB C 63.46 . 1 5 . 6 SER H H 8.44 . 1 6 . 6 SER N N 118.99 . 1 7 . 6 SER HB3 H 4.67 . 2 8 . 7 LYS H H 8.20 . 1 9 . 7 LYS CA C 55.87 . 1 10 . 7 LYS N N 123.06 . 1 11 . 7 LYS C C 176.39 . 1 12 . 7 LYS HA H 4.68 . 1 13 . 7 LYS CB C 34.28 . 1 14 . 7 LYS HG3 H 1.59 . 2 15 . 7 LYS HB2 H 1.90 . 2 16 . 7 LYS HB3 H 2.01 . 2 17 . 8 LEU H H 8.51 . 1 18 . 8 LEU N N 125.21 . 1 19 . 8 LEU HA H 4.27 . 1 20 . 8 LEU CA C 54.31 . 1 21 . 8 LEU CB C 43.00 . 1 22 . 8 LEU HB3 H 1.27 . 2 23 . 8 LEU HB2 H 1.12 . 2 24 . 8 LEU HG H 0.92 . 1 25 . 8 LEU HD1 H 0.60 . 2 26 . 8 LEU HD2 H 0.49 . 2 27 . 8 LEU CD1 C 23.82 . 2 28 . 8 LEU CD2 C 25.14 . 2 29 . 8 LEU CG C 26.25 . 1 30 . 8 LEU C C 177.40 . 1 31 . 9 LYS H H 8.43 . 1 32 . 9 LYS N N 125.57 . 1 33 . 9 LYS HA H 4.62 . 1 34 . 9 LYS CA C 55.29 . 1 35 . 9 LYS HB3 H 1.88 . 2 36 . 9 LYS CB C 31.97 . 1 37 . 9 LYS HG3 H 1.28 . 2 38 . 9 LYS C C 175.95 . 1 39 . 9 LYS HB2 H 2.32 . 2 40 . 10 PRO HB3 H 2.59 . 2 41 . 10 PRO HA H 4.35 . 1 42 . 10 PRO CA C 65.98 . 1 43 . 10 PRO HB2 H 2.43 . 2 44 . 10 PRO HG3 H 2.26 . 2 45 . 10 PRO HG2 H 2.19 . 2 46 . 10 PRO HD3 H 3.69 . 2 47 . 10 PRO CD C 50.55 . 1 48 . 10 PRO HD2 H 4.06 . 2 49 . 10 PRO CB C 32.27 . 1 50 . 10 PRO CG C 27.47 . 1 51 . 10 PRO C C 179.00 . 1 52 . 11 GLU H H 10.06 . 1 53 . 11 GLU N N 118.51 . 1 54 . 11 GLU HA H 4.39 . 1 55 . 11 GLU HB3 H 2.27 . 2 56 . 11 GLU CA C 59.76 . 1 57 . 11 GLU CB C 28.97 . 1 58 . 11 GLU HG3 H 2.56 . 2 59 . 11 GLU CG C 36.44 . 1 60 . 11 GLU C C 179.47 . 1 61 . 12 VAL H H 7.54 . 1 62 . 12 VAL HA H 4.12 . 1 63 . 12 VAL N N 123.18 . 1 64 . 12 VAL HB H 2.41 . 1 65 . 12 VAL HG2 H 1.26 . 1 66 . 12 VAL CA C 65.35 . 1 67 . 12 VAL CB C 31.54 . 1 68 . 12 VAL HG1 H 1.20 . 1 69 . 12 VAL CG2 C 22.68 . 1 70 . 12 VAL CG1 C 21.61 . 1 71 . 12 VAL C C 177.94 . 1 72 . 13 VAL H H 7.81 . 1 73 . 13 VAL N N 121.35 . 1 74 . 13 VAL HA H 3.64 . 1 75 . 13 VAL HB H 2.41 . 1 76 . 13 VAL CA C 67.39 . 1 77 . 13 VAL CB C 31.55 . 1 78 . 13 VAL HG1 H 1.18 . 2 79 . 13 VAL HG2 H 1.10 . 2 80 . 13 VAL CG1 C 22.08 . 2 81 . 13 VAL CG2 C 23.84 . 2 82 . 13 VAL C C 178.43 . 1 83 . 14 GLU H H 8.39 . 1 84 . 14 GLU N N 120.06 . 1 85 . 14 GLU HA H 4.21 . 1 86 . 14 GLU HB3 H 2.26 . 2 87 . 14 GLU CA C 59.76 . 1 88 . 14 GLU C C 179.04 . 1 89 . 14 GLU CB C 29.63 . 1 90 . 14 GLU HG3 H 2.58 . 2 91 . 15 GLU H H 7.61 . 1 92 . 15 GLU CA C 59.55 . 1 93 . 15 GLU N N 120.61 . 1 94 . 15 GLU HA H 4.24 . 1 95 . 15 GLU HB2 H 2.38 . 2 96 . 15 GLU HG3 H 2.48 . 2 97 . 15 GLU CB C 29.59 . 1 98 . 15 GLU CG C 36.26 . 1 99 . 15 GLU C C 179.12 . 1 100 . 15 GLU HG2 H 2.23 . 2 101 . 16 LEU H H 8.52 . 1 102 . 16 LEU HA H 4.33 . 1 103 . 16 LEU N N 118.80 . 1 104 . 16 LEU HB3 H 2.25 . 2 105 . 16 LEU CA C 58.16 . 1 106 . 16 LEU CB C 42.18 . 1 107 . 16 LEU HD1 H 0.96 . 2 108 . 16 LEU HG H 1.12 . 1 109 . 16 LEU HD2 H 1.03 . 2 110 . 16 LEU CG C 26.78 . 1 111 . 16 LEU CD1 C 20.44 . 2 112 . 16 LEU CD2 C 22.10 . 2 113 . 16 LEU C C 180.59 . 1 114 . 17 THR H H 8.71 . 1 115 . 17 THR HA H 4.38 . 1 116 . 17 THR N N 115.34 . 1 117 . 17 THR CA C 65.39 . 1 118 . 17 THR HB H 4.57 . 1 119 . 17 THR CB C 69.43 . 1 120 . 17 THR HG2 H 1.48 . 1 121 . 17 THR CG2 C 21.70 . 1 122 . 17 THR C C 175.24 . 1 123 . 18 ARG H H 7.58 . 1 124 . 18 ARG N N 120.38 . 1 125 . 18 ARG CA C 58.29 . 1 126 . 18 ARG HA H 4.51 . 1 127 . 18 ARG HB2 H 2.19 . 2 128 . 18 ARG CB C 30.61 . 1 129 . 18 ARG HG2 H 1.88 . 2 130 . 18 ARG CG C 27.88 . 1 131 . 18 ARG HG3 H 2.00 . 2 132 . 18 ARG HD2 H 3.41 . 2 133 . 18 ARG CD C 43.64 . 1 134 . 18 ARG HB3 H 2.13 . 2 135 . 18 ARG C C 178.47 . 1 136 . 19 LYS H H 7.68 . 1 137 . 19 LYS HA H 4.54 . 1 138 . 19 LYS N N 117.09 . 1 139 . 19 LYS HB3 H 1.95 . 2 140 . 19 LYS HB2 H 2.13 . 2 141 . 19 LYS CA C 56.66 . 1 142 . 19 LYS CB C 34.57 . 1 143 . 19 LYS HE3 H 3.39 . 2 144 . 19 LYS CE C 43.59 . 1 145 . 19 LYS HG3 H 1.76 . 2 146 . 19 LYS CG C 27.20 . 1 147 . 19 LYS C C 175.89 . 1 148 . 20 THR H H 7.51 . 1 149 . 20 THR HA H 4.81 . 1 150 . 20 THR N N 110.07 . 1 151 . 20 THR CA C 60.22 . 1 152 . 20 THR HB H 4.33 . 1 153 . 20 THR CB C 73.04 . 1 154 . 20 THR HG2 H 1.36 . 1 155 . 20 THR CG2 C 21.13 . 1 156 . 20 THR C C 173.28 . 1 157 . 21 TYR H H 7.71 . 1 158 . 21 TYR CA C 57.67 . 1 159 . 21 TYR N N 115.52 . 1 160 . 21 TYR HA H 4.32 . 1 161 . 21 TYR HB3 H 1.97 . 2 162 . 21 TYR HB2 H 3.49 . 2 163 . 21 TYR C C 176.01 . 1 164 . 21 TYR CB C 38.87 . 1 165 . 21 TYR HD1 H 7.11 . 3 166 . 21 TYR HE1 H 6.75 . 3 167 . 21 TYR CD1 C 132.36 . 2 168 . 21 TYR HE2 H 6.93 . 3 169 . 21 TYR CE1 C 117.23 . 2 170 . 22 PHE H H 7.86 . 1 171 . 22 PHE N N 120.49 . 1 172 . 22 PHE HA H 5.31 . 1 173 . 22 PHE HB2 H 3.14 . 1 174 . 22 PHE CA C 57.27 . 1 175 . 22 PHE HB3 H 3.60 . 1 176 . 22 PHE CB C 42.17 . 1 177 . 22 PHE C C 176.39 . 1 178 . 22 PHE HD1 H 7.44 . 3 179 . 22 PHE CD1 C 130.78 . 2 180 . 23 THR H H 9.50 . 1 181 . 23 THR HA H 4.73 . 1 182 . 23 THR N N 113.21 . 1 183 . 23 THR CA C 60.79 . 1 184 . 23 THR CB C 71.81 . 1 185 . 23 THR HG2 H 1.62 . 1 186 . 23 THR CG2 C 21.74 . 1 187 . 23 THR HB H 4.98 . 1 188 . 23 THR C C 175.94 . 1 189 . 24 GLU H H 9.32 . 1 190 . 24 GLU N N 122.15 . 1 191 . 24 GLU CA C 60.65 . 1 192 . 24 GLU HA H 3.93 . 1 193 . 24 GLU HB3 H 2.32 . 2 194 . 24 GLU CB C 29.15 . 1 195 . 24 GLU HG3 H 2.56 . 2 196 . 24 GLU CG C 36.19 . 1 197 . 24 GLU HB2 H 2.25 . 2 198 . 24 GLU C C 178.53 . 1 199 . 24 GLU HG2 H 2.42 . 2 200 . 25 LYS H H 8.21 . 1 201 . 25 LYS CA C 59.44 . 1 202 . 25 LYS N N 118.83 . 1 203 . 25 LYS HA H 4.22 . 1 204 . 25 LYS HD2 H 1.15 . 2 205 . 25 LYS HB3 H 2.06 . 2 206 . 25 LYS HB2 H 1.94 . 2 207 . 25 LYS HG2 H 1.77 . 2 208 . 25 LYS CB C 32.65 . 1 209 . 25 LYS CG C 25.38 . 1 210 . 25 LYS HG3 H 1.62 . 2 211 . 25 LYS HD3 H 1.49 . 2 212 . 25 LYS CD C 29.54 . 1 213 . 25 LYS HE3 H 2.95 . 2 214 . 25 LYS CE C 41.98 . 1 215 . 25 LYS C C 180.01 . 1 216 . 26 GLU H H 7.76 . 1 217 . 26 GLU HA H 4.21 . 1 218 . 26 GLU N N 120.53 . 1 219 . 26 GLU HG2 H 2.98 . 2 220 . 26 GLU CA C 59.46 . 1 221 . 26 GLU HB2 H 2.52 . 2 222 . 26 GLU HG3 H 2.74 . 2 223 . 26 GLU C C 179.19 . 1 224 . 26 GLU CB C 30.45 . 1 225 . 27 VAL CA C 68.40 . 1 226 . 27 VAL H H 9.07 . 1 227 . 27 VAL N N 120.85 . 1 228 . 27 VAL HA H 3.79 . 1 229 . 27 VAL CB C 31.68 . 1 230 . 27 VAL HB H 2.54 . 1 231 . 27 VAL HG1 H 1.27 . 2 232 . 27 VAL HG2 H 1.22 . 2 233 . 27 VAL CG1 C 23.86 . 2 234 . 27 VAL CG2 C 23.47 . 2 235 . 27 VAL C C 178.22 . 1 236 . 28 GLN CA C 59.63 . 1 237 . 28 GLN H H 8.13 . 1 238 . 28 GLN N N 117.29 . 1 239 . 28 GLN HA H 4.39 . 1 240 . 28 GLN HB3 H 2.44 . 2 241 . 28 GLN CB C 28.69 . 1 242 . 28 GLN HG2 H 2.83 . 2 243 . 28 GLN CG C 33.53 . 1 244 . 28 GLN HG3 H 2.62 . 2 245 . 28 GLN HB2 H 2.39 . 2 246 . 28 GLN C C 179.17 . 1 247 . 29 GLN H H 8.26 . 1 248 . 29 GLN N N 122.18 . 1 249 . 29 GLN HA H 4.23 . 1 250 . 29 GLN HG3 H 2.38 . 2 251 . 29 GLN HB2 H 2.14 . 2 252 . 29 GLN CA C 59.45 . 1 253 . 29 GLN CB C 28.70 . 1 254 . 29 GLN CG C 33.94 . 1 255 . 29 GLN C C 179.97 . 1 256 . 30 TRP HA H 4.84 . 1 257 . 30 TRP HB3 H 3.61 . 2 258 . 30 TRP H H 8.86 . 1 259 . 30 TRP CA C 60.96 . 1 260 . 30 TRP N N 121.88 . 1 261 . 30 TRP HE1 H 9.11 . 1 262 . 30 TRP NE1 N 127.69 . 1 263 . 30 TRP HD1 H 6.56 . 1 264 . 30 TRP CD1 C 125.99 . 1 265 . 30 TRP CB C 29.86 . 1 266 . 30 TRP HB2 H 3.57 . 2 267 . 30 TRP C C 179.32 . 1 268 . 30 TRP HZ2 H 7.47 . 1 269 . 30 TRP HE3 H 8.05 . 1 270 . 31 TYR H H 8.86 . 1 271 . 31 TYR CA C 62.39 . 1 272 . 31 TYR N N 122.14 . 1 273 . 31 TYR HA H 3.91 . 1 274 . 31 TYR CB C 37.91 . 1 275 . 31 TYR HB3 H 3.04 . 2 276 . 31 TYR HB2 H 2.77 . 2 277 . 31 TYR C C 176.41 . 1 278 . 31 TYR HD1 H 7.27 . 3 279 . 31 TYR HE1 H 6.15 . 3 280 . 31 TYR CD1 C 130.74 . 2 281 . 32 LYS H H 7.90 . 1 282 . 32 LYS N N 118.38 . 1 283 . 32 LYS HA H 3.95 . 1 284 . 32 LYS HB3 H 2.12 . 2 285 . 32 LYS CA C 59.72 . 1 286 . 32 LYS HB2 H 1.86 . 2 287 . 32 LYS CB C 32.60 . 1 288 . 32 LYS HG3 H 1.63 . 2 289 . 32 LYS HE3 H 3.17 . 2 290 . 32 LYS CG C 24.47 . 1 291 . 32 LYS C C 179.99 . 1 292 . 33 GLY H H 7.77 . 1 293 . 33 GLY HA3 H 4.00 . 2 294 . 33 GLY N N 105.66 . 1 295 . 33 GLY CA C 47.40 . 1 296 . 33 GLY HA2 H 4.11 . 2 297 . 33 GLY C C 175.16 . 1 298 . 34 PHE H H 8.71 . 1 299 . 34 PHE N N 125.49 . 1 300 . 34 PHE HA H 4.30 . 1 301 . 34 PHE CA C 61.58 . 1 302 . 34 PHE CB C 41.04 . 1 303 . 34 PHE HB3 H 3.36 . 2 304 . 34 PHE HB2 H 3.29 . 2 305 . 34 PHE C C 176.94 . 1 306 . 34 PHE HD1 H 6.75 . 3 307 . 34 PHE CD1 C 131.02 . 2 308 . 35 ILE H H 8.38 . 1 309 . 35 ILE HA H 4.06 . 1 310 . 35 ILE N N 116.33 . 1 311 . 35 ILE CA C 60.09 . 1 312 . 35 ILE HB H 1.54 . 1 313 . 35 ILE HG2 H 0.83 . 1 314 . 35 ILE CB C 38.10 . 1 315 . 35 ILE HG13 H 1.27 . 2 316 . 35 ILE HG12 H 1.19 . 2 317 . 35 ILE CG2 C 18.74 . 1 318 . 35 ILE CG1 C 27.71 . 1 319 . 35 ILE HD1 H 0.96 . 1 320 . 35 ILE CD1 C 12.39 . 1 321 . 35 ILE C C 178.45 . 1 322 . 36 LYS H H 7.22 . 1 323 . 36 LYS N N 123.10 . 1 324 . 36 LYS HA H 4.09 . 1 325 . 36 LYS HB3 H 2.07 . 2 326 . 36 LYS CA C 59.36 . 1 327 . 36 LYS HG3 H 1.55 . 2 328 . 36 LYS CB C 32.28 . 1 329 . 36 LYS C C 177.91 . 1 330 . 37 ASP H H 7.41 . 1 331 . 37 ASP HA H 4.85 . 1 332 . 37 ASP N N 117.26 . 1 333 . 37 ASP HB3 H 2.83 . 2 334 . 37 ASP HB2 H 2.63 . 2 335 . 37 ASP CA C 55.49 . 1 336 . 37 ASP CB C 41.91 . 1 337 . 37 ASP C C 176.42 . 1 338 . 38 CYS H H 8.04 . 1 339 . 38 CYS N N 121.31 . 1 340 . 38 CYS HA H 4.83 . 1 341 . 38 CYS HB3 H 2.37 . 2 342 . 38 CYS HB2 H 2.29 . 2 343 . 38 CYS CA C 55.91 . 1 344 . 39 PRO C C 178.50 . 1 345 . 39 PRO HD3 H 3.87 . 2 346 . 39 PRO HD2 H 3.51 . 2 347 . 39 PRO CD C 50.21 . 1 348 . 39 PRO HB3 H 2.55 . 2 349 . 39 PRO HG3 H 2.19 . 2 350 . 39 PRO CG C 27.27 . 1 351 . 39 PRO HA H 4.70 . 1 352 . 39 PRO CA C 64.94 . 1 353 . 39 PRO CB C 31.80 . 1 354 . 39 PRO HB2 H 2.15 . 2 355 . 40 SER H H 8.27 . 1 356 . 40 SER CA C 59.47 . 1 357 . 40 SER N N 112.13 . 1 358 . 40 SER HA H 4.93 . 1 359 . 40 SER HB3 H 4.41 . 2 360 . 40 SER C C 176.35 . 1 361 . 40 SER CB C 64.77 . 1 362 . 41 GLY H H 8.64 . 1 363 . 41 GLY HA3 H 4.60 . 2 364 . 41 GLY N N 111.29 . 1 365 . 41 GLY HA2 H 3.91 . 2 366 . 41 GLY CA C 45.96 . 1 367 . 41 GLY C C 172.72 . 1 368 . 42 GLN H H 7.67 . 1 369 . 42 GLN N N 118.98 . 1 370 . 42 GLN CA C 54.23 . 1 371 . 42 GLN HA H 5.09 . 1 372 . 42 GLN HB2 H 2.11 . 2 373 . 42 GLN HB3 H 1.94 . 2 374 . 42 GLN HG3 H 2.40 . 2 375 . 42 GLN HG2 H 2.54 . 2 376 . 42 GLN CB C 31.09 . 1 377 . 42 GLN CG C 32.89 . 1 378 . 42 GLN C C 173.69 . 1 379 . 43 LEU CA C 55.44 . 1 380 . 43 LEU H H 9.06 . 1 381 . 43 LEU HA H 4.83 . 1 382 . 43 LEU N N 127.53 . 1 383 . 43 LEU HB3 H 2.32 . 2 384 . 43 LEU CB C 44.85 . 1 385 . 43 LEU HD1 H 1.17 . 2 386 . 43 LEU HB2 H 2.02 . 2 387 . 43 LEU C C 176.53 . 1 388 . 43 LEU HG H 2.22 . 1 389 . 43 LEU CG C 26.07 . 1 390 . 44 ASP N N 125.14 . 1 391 . 44 ASP HA H 5.25 . 1 392 . 44 ASP H H 8.32 . 1 393 . 44 ASP CA C 51.83 . 1 394 . 44 ASP CB C 41.95 . 1 395 . 44 ASP HB3 H 3.46 . 1 396 . 44 ASP HB2 H 2.92 . 1 397 . 44 ASP C C 175.93 . 1 398 . 45 ALA H H 8.46 . 1 399 . 45 ALA N N 123.46 . 1 400 . 45 ALA HA H 3.57 . 1 401 . 45 ALA HB H 1.00 . 1 402 . 45 ALA CA C 56.16 . 1 403 . 45 ALA CB C 17.27 . 1 404 . 45 ALA C C 180.30 . 1 405 . 46 ALA H H 8.11 . 1 406 . 46 ALA N N 121.37 . 1 407 . 46 ALA HA H 4.25 . 1 408 . 46 ALA HB H 1.61 . 1 409 . 46 ALA CA C 55.04 . 1 410 . 46 ALA CB C 17.84 . 1 411 . 46 ALA C C 181.59 . 1 412 . 47 GLY H H 8.74 . 1 413 . 47 GLY HA3 H 4.10 . 2 414 . 47 GLY N N 109.94 . 1 415 . 47 GLY CA C 47.12 . 1 416 . 47 GLY HA2 H 4.14 . 2 417 . 47 GLY C C 176.79 . 1 418 . 48 PHE H H 8.96 . 1 419 . 48 PHE N N 125.93 . 1 420 . 48 PHE HA H 4.65 . 1 421 . 48 PHE CA C 61.91 . 1 422 . 48 PHE CB C 41.02 . 1 423 . 48 PHE HB3 H 3.56 . 2 424 . 48 PHE C C 177.69 . 1 425 . 48 PHE HD1 H 7.05 . 3 426 . 48 PHE CD1 C 130.98 . 2 427 . 49 GLN H H 8.58 . 1 428 . 49 GLN N N 118.54 . 1 429 . 49 GLN HA H 3.96 . 1 430 . 49 GLN CA C 59.90 . 1 431 . 49 GLN CB C 27.93 . 1 432 . 49 GLN HG3 H 2.57 . 2 433 . 49 GLN CG C 34.10 . 1 434 . 49 GLN HG2 H 2.77 . 2 435 . 49 GLN HB2 H 2.53 . 2 436 . 49 GLN HB3 H 2.34 . 2 437 . 49 GLN C C 178.46 . 1 438 . 50 LYS H H 7.69 . 1 439 . 50 LYS CA C 59.93 . 1 440 . 50 LYS N N 118.88 . 1 441 . 50 LYS HB3 H 1.88 . 2 442 . 50 LYS HB2 H 2.19 . 2 443 . 50 LYS HA H 4.15 . 1 444 . 50 LYS HE3 H 3.03 . 2 445 . 50 LYS HD3 H 1.61 . 2 446 . 50 LYS CD C 27.03 . 1 447 . 50 LYS CB C 30.23 . 1 448 . 50 LYS C C 179.13 . 1 449 . 51 ILE H H 7.61 . 1 450 . 51 ILE CA C 65.21 . 1 451 . 51 ILE N N 120.87 . 1 452 . 51 ILE HA H 3.87 . 1 453 . 51 ILE HG13 H 1.33 . 2 454 . 51 ILE HD1 H 1.07 . 1 455 . 51 ILE HB H 2.06 . 1 456 . 51 ILE HG2 H 0.89 . 1 457 . 51 ILE CG2 C 17.08 . 1 458 . 51 ILE CD1 C 13.73 . 1 459 . 51 ILE CB C 38.12 . 1 460 . 51 ILE CG1 C 29.18 . 1 461 . 51 ILE HG12 H 1.92 . 2 462 . 51 ILE C C 178.30 . 1 463 . 52 TYR H H 7.77 . 1 464 . 52 TYR CA C 63.66 . 1 465 . 52 TYR N N 120.19 . 1 466 . 52 TYR HB2 H 3.02 . 2 467 . 52 TYR HB3 H 3.24 . 2 468 . 52 TYR HA H 4.24 . 1 469 . 52 TYR CB C 39.68 . 1 470 . 52 TYR C C 178.98 . 1 471 . 52 TYR HD1 H 7.18 . 3 472 . 52 TYR CD1 C 130.93 . 2 473 . 52 TYR HE1 H 6.98 . 3 474 . 52 TYR CE1 C 117.94 . 2 475 . 53 LYS H H 8.26 . 1 476 . 53 LYS CA C 58.47 . 1 477 . 53 LYS N N 118.95 . 1 478 . 53 LYS HA H 4.23 . 1 479 . 53 LYS CB C 32.53 . 1 480 . 53 LYS HB3 H 2.15 . 2 481 . 53 LYS HG3 H 1.76 . 2 482 . 53 LYS CG C 25.32 . 1 483 . 53 LYS C C 177.95 . 1 484 . 54 GLN H H 7.51 . 1 485 . 54 GLN HA H 4.09 . 1 486 . 54 GLN N N 117.02 . 1 487 . 54 GLN HB3 H 2.18 . 2 488 . 54 GLN HB2 H 2.07 . 2 489 . 54 GLN CA C 58.10 . 1 490 . 54 GLN CB C 28.37 . 1 491 . 54 GLN HG3 H 2.40 . 2 492 . 54 GLN C C 177.68 . 1 493 . 54 GLN CG C 33.95 . 1 494 . 54 GLN HG2 H 2.28 . 2 495 . 55 PHE H H 7.35 . 1 496 . 55 PHE N N 117.40 . 1 497 . 55 PHE HA H 4.46 . 1 498 . 55 PHE HB3 H 2.90 . 2 499 . 55 PHE CA C 58.84 . 1 500 . 55 PHE CB C 40.21 . 1 501 . 55 PHE C C 175.45 . 1 502 . 55 PHE HD1 H 7.21 . 3 503 . 56 PHE H H 7.96 . 1 504 . 56 PHE N N 117.99 . 1 505 . 56 PHE HA H 5.14 . 1 506 . 56 PHE HB3 H 3.05 . 2 507 . 56 PHE HB2 H 3.40 . 2 508 . 56 PHE CA C 56.15 . 1 509 . 56 PHE CB C 39.51 . 1 510 . 56 PHE C C 173.83 . 1 511 . 56 PHE HD1 H 7.64 . 3 512 . 57 PRO HD2 H 3.53 . 2 513 . 57 PRO HD3 H 3.40 . 2 514 . 57 PRO CD C 50.21 . 1 515 . 57 PRO HG2 H 1.38 . 2 516 . 57 PRO CG C 26.55 . 1 517 . 57 PRO HA H 4.71 . 1 518 . 57 PRO HB3 H 2.19 . 2 519 . 57 PRO CA C 64.61 . 1 520 . 57 PRO CB C 32.27 . 1 521 . 57 PRO C C 178.46 . 1 522 . 57 PRO HG3 H 1.85 . 2 523 . 57 PRO HB2 H 1.47 . 2 524 . 58 PHE H H 8.42 . 1 525 . 58 PHE N N 117.88 . 1 526 . 58 PHE HB3 H 3.68 . 2 527 . 58 PHE HA H 5.09 . 1 528 . 58 PHE HB2 H 3.18 . 2 529 . 58 PHE CA C 57.65 . 1 530 . 58 PHE CB C 39.17 . 1 531 . 58 PHE C C 175.96 . 1 532 . 58 PHE HD1 H 7.52 . 3 533 . 59 GLY H H 7.66 . 1 534 . 59 GLY HA2 H 4.70 . 2 535 . 59 GLY N N 110.37 . 1 536 . 59 GLY HA3 H 4.19 . 2 537 . 59 GLY CA C 44.35 . 1 538 . 59 GLY C C 172.98 . 1 539 . 60 ASP H H 8.16 . 1 540 . 60 ASP HA H 5.61 . 1 541 . 60 ASP N N 119.42 . 1 542 . 60 ASP HB3 H 3.16 . 2 543 . 60 ASP HB2 H 2.81 . 2 544 . 60 ASP CA C 50.34 . 1 545 . 60 ASP CB C 42.19 . 1 546 . 60 ASP C C 175.86 . 1 547 . 61 PRO C C 175.33 . 1 548 . 61 PRO HA H 4.34 . 1 549 . 61 PRO CA C 63.20 . 1 550 . 61 PRO CB C 33.32 . 1 551 . 62 THR H H 8.22 . 1 552 . 62 THR CA C 68.42 . 1 553 . 62 THR N N 117.98 . 1 554 . 62 THR HA H 4.25 . 1 555 . 62 THR HG2 H 1.27 . 1 556 . 62 THR HB H 3.88 . 1 557 . 62 THR CG2 C 21.01 . 1 558 . 62 THR C C 176.64 . 1 559 . 62 THR CB C 68.52 . 1 560 . 63 LYS N N 123.18 . 1 561 . 63 LYS HA H 3.96 . 1 562 . 63 LYS CA C 60.07 . 1 563 . 63 LYS H H 8.67 . 1 564 . 63 LYS CB C 32.73 . 1 565 . 63 LYS HB3 H 2.08 . 2 566 . 63 LYS HB2 H 1.97 . 2 567 . 63 LYS HG2 H 1.42 . 2 568 . 63 LYS HG3 H 1.55 . 2 569 . 63 LYS CG C 25.87 . 1 570 . 63 LYS HE3 H 3.19 . 2 571 . 63 LYS HE2 H 3.33 . 2 572 . 63 LYS CE C 42.34 . 1 573 . 63 LYS C C 178.47 . 1 574 . 64 PHE H H 9.25 . 1 575 . 64 PHE CA C 63.05 . 1 576 . 64 PHE N N 121.35 . 1 577 . 64 PHE HA H 4.27 . 1 578 . 64 PHE CB C 39.94 . 1 579 . 64 PHE HB3 H 3.11 . 2 580 . 64 PHE HB2 H 3.03 . 2 581 . 64 PHE C C 176.91 . 1 582 . 65 ALA H H 9.08 . 1 583 . 65 ALA N N 119.03 . 1 584 . 65 ALA HA H 3.72 . 1 585 . 65 ALA HB H 1.49 . 1 586 . 65 ALA CA C 55.04 . 1 587 . 65 ALA CB C 18.65 . 1 588 . 65 ALA C C 179.56 . 1 589 . 66 THR H H 7.64 . 1 590 . 66 THR HB H 4.00 . 1 591 . 66 THR N N 114.59 . 1 592 . 66 THR CA C 67.24 . 1 593 . 66 THR HA H 4.24 . 1 594 . 66 THR HG2 H 1.21 . 1 595 . 66 THR CG2 C 21.17 . 1 596 . 66 THR CB C 68.62 . 1 597 . 66 THR C C 176.22 . 1 598 . 67 PHE H H 7.44 . 1 599 . 67 PHE CA C 59.95 . 1 600 . 67 PHE N N 121.29 . 1 601 . 67 PHE HB3 H 3.08 . 2 602 . 67 PHE HB2 H 2.97 . 2 603 . 67 PHE HA H 4.73 . 1 604 . 67 PHE CB C 38.17 . 1 605 . 67 PHE C C 179.53 . 1 606 . 67 PHE HD1 H 7.33 . 3 607 . 68 VAL HA H 3.67 . 1 608 . 68 VAL N N 120.56 . 1 609 . 68 VAL H H 8.37 . 1 610 . 68 VAL CA C 66.43 . 1 611 . 68 VAL CB C 32.24 . 1 612 . 68 VAL HB H 2.00 . 1 613 . 68 VAL HG1 H 1.29 . 2 614 . 68 VAL HG2 H 0.80 . 2 615 . 68 VAL CG2 C 23.95 . 2 616 . 68 VAL CG1 C 23.71 . 2 617 . 68 VAL C C 177.92 . 1 618 . 69 PHE H H 8.69 . 1 619 . 69 PHE CA C 62.06 . 1 620 . 69 PHE N N 124.11 . 1 621 . 69 PHE HB3 H 3.24 . 2 622 . 69 PHE HD1 H 7.03 . 3 623 . 69 PHE HB2 H 3.35 . 2 624 . 69 PHE HA H 4.00 . 1 625 . 69 PHE C C 176.58 . 1 626 . 69 PHE CB C 38.94 . 1 627 . 70 ASN H H 7.45 . 1 628 . 70 ASN HA H 4.61 . 1 629 . 70 ASN N N 113.32 . 1 630 . 70 ASN HB3 H 3.12 . 2 631 . 70 ASN CA C 55.91 . 1 632 . 70 ASN CB C 38.65 . 1 633 . 70 ASN CG C 176.73 . 1 634 . 70 ASN HD21 H 8.08 . 2 635 . 70 ASN HD22 H 7.07 . 2 636 . 70 ASN ND2 N 113.47 . 1 637 . 70 ASN C C 176.43 . 1 638 . 71 VAL H H 7.50 . 1 639 . 71 VAL HA H 3.87 . 1 640 . 71 VAL N N 118.29 . 1 641 . 71 VAL HG1 H 0.51 . 2 642 . 71 VAL HG2 H 0.89 . 2 643 . 71 VAL HB H 2.09 . 1 644 . 71 VAL CA C 64.83 . 1 645 . 71 VAL CB C 31.80 . 1 646 . 71 VAL CG1 C 22.13 . 2 647 . 71 VAL CG2 C 23.01 . 2 648 . 71 VAL C C 178.07 . 1 649 . 72 PHE H H 8.10 . 1 650 . 72 PHE HA H 4.49 . 1 651 . 72 PHE N N 120.68 . 1 652 . 72 PHE CA C 60.21 . 1 653 . 72 PHE CB C 40.28 . 1 654 . 72 PHE HB3 H 3.05 . 2 655 . 72 PHE HB2 H 2.78 . 2 656 . 72 PHE C C 177.88 . 1 657 . 72 PHE HD1 H 7.39 . 3 658 . 73 ASP H H 7.82 . 1 659 . 73 ASP HA H 4.62 . 1 660 . 73 ASP N N 117.97 . 1 661 . 73 ASP HB3 H 2.85 . 2 662 . 73 ASP CA C 52.83 . 1 663 . 73 ASP CB C 38.55 . 1 664 . 73 ASP HB2 H 1.94 . 2 665 . 73 ASP C C 176.51 . 1 666 . 74 GLU H H 7.86 . 1 667 . 74 GLU CA C 59.92 . 1 668 . 74 GLU N N 129.78 . 1 669 . 74 GLU HA H 4.15 . 1 670 . 74 GLU CB C 31.20 . 1 671 . 74 GLU HB3 H 2.30 . 2 672 . 74 GLU C C 177.50 . 1 673 . 74 GLU HG3 H 2.45 . 2 674 . 74 GLU HG2 H 2.55 . 2 675 . 74 GLU CG C 36.12 . 1 676 . 75 ASN CA C 52.03 . 1 677 . 75 ASN CB C 37.14 . 1 678 . 75 ASN H H 8.04 . 1 679 . 75 ASN N N 113.16 . 1 680 . 75 ASN HB3 H 3.50 . 2 681 . 75 ASN HB2 H 3.06 . 2 682 . 75 ASN HA H 4.89 . 1 683 . 75 ASN C C 174.95 . 1 684 . 76 LYS H H 7.90 . 1 685 . 76 LYS HA H 4.21 . 1 686 . 76 LYS N N 116.26 . 1 687 . 76 LYS HB3 H 2.20 . 2 688 . 76 LYS CA C 56.70 . 1 689 . 76 LYS CB C 29.20 . 1 690 . 76 LYS C C 176.28 . 1 691 . 77 ASP H H 8.44 . 1 692 . 77 ASP N N 118.96 . 1 693 . 77 ASP HA H 4.89 . 1 694 . 77 ASP HB3 H 2.61 . 2 695 . 77 ASP HB2 H 3.30 . 2 696 . 77 ASP CA C 53.24 . 1 697 . 77 ASP CB C 41.17 . 1 698 . 77 ASP C C 178.47 . 1 699 . 78 GLY H H 10.61 . 1 700 . 78 GLY N N 113.68 . 1 701 . 78 GLY HA3 H 3.95 . 2 702 . 78 GLY C C 174.44 . 1 703 . 78 GLY HA2 H 4.51 . 2 704 . 78 GLY CA C 45.77 . 1 705 . 79 ARG H H 8.26 . 1 706 . 79 ARG HA H 5.45 . 1 707 . 79 ARG N N 119.59 . 1 708 . 79 ARG HB2 H 1.93 . 2 709 . 79 ARG HB3 H 1.69 . 2 710 . 79 ARG CA C 53.44 . 1 711 . 79 ARG CB C 34.07 . 1 712 . 79 ARG HD2 H 3.06 . 2 713 . 79 ARG HD3 H 3.42 . 2 714 . 79 ARG HG3 H 1.78 . 2 715 . 79 ARG CG C 26.56 . 1 716 . 79 ARG CD C 43.39 . 1 717 . 79 ARG C C 175.11 . 1 718 . 80 ILE H H 9.90 . 1 719 . 80 ILE N N 126.99 . 1 720 . 80 ILE HA H 5.13 . 1 721 . 80 ILE CA C 60.03 . 1 722 . 80 ILE CB C 39.06 . 1 723 . 80 ILE HB H 2.16 . 1 724 . 80 ILE HG2 H 1.39 . 1 725 . 80 ILE HG13 H 1.03 . 2 726 . 80 ILE HG12 H 0.57 . 2 727 . 80 ILE CG2 C 18.80 . 1 728 . 80 ILE CG1 C 27.57 . 1 729 . 80 ILE HD1 H 0.24 . 1 730 . 80 ILE CD1 C 14.44 . 1 731 . 80 ILE C C 176.30 . 1 732 . 81 GLU H H 8.86 . 1 733 . 81 GLU N N 127.64 . 1 734 . 81 GLU HA H 5.58 . 1 735 . 81 GLU HB3 H 2.59 . 2 736 . 81 GLU CA C 54.73 . 1 737 . 81 GLU CB C 32.66 . 1 738 . 81 GLU HG3 H 2.62 . 2 739 . 81 GLU CG C 37.24 . 1 740 . 81 GLU C C 177.57 . 1 741 . 82 PHE H H 9.93 . 1 742 . 82 PHE N N 124.92 . 1 743 . 82 PHE CA C 62.90 . 1 744 . 82 PHE HA H 3.58 . 1 745 . 82 PHE HB3 H 3.31 . 2 746 . 82 PHE HB2 H 3.14 . 2 747 . 82 PHE CB C 38.48 . 1 748 . 82 PHE C C 176.98 . 1 749 . 82 PHE HD1 H 6.79 . 3 750 . 82 PHE CD1 C 131.07 . 2 751 . 83 SER H H 9.33 . 1 752 . 83 SER N N 113.24 . 1 753 . 83 SER CA C 61.91 . 1 754 . 83 SER HA H 3.90 . 1 755 . 83 SER C C 176.88 . 1 756 . 83 SER HB3 H 4.08 . 2 757 . 84 GLU H H 6.78 . 1 758 . 84 GLU N N 121.45 . 1 759 . 84 GLU HA H 4.31 . 1 760 . 84 GLU HB3 H 2.79 . 2 761 . 84 GLU CA C 58.58 . 1 762 . 84 GLU CB C 30.46 . 1 763 . 84 GLU C C 179.06 . 1 764 . 84 GLU HG3 H 2.64 . 2 765 . 84 GLU CG C 34.35 . 1 766 . 85 PHE H H 8.39 . 1 767 . 85 PHE N N 122.80 . 1 768 . 85 PHE CA C 61.60 . 1 769 . 85 PHE HA H 4.25 . 1 770 . 85 PHE HB3 H 3.17 . 2 771 . 85 PHE HB2 H 3.07 . 2 772 . 85 PHE CB C 40.02 . 1 773 . 85 PHE C C 175.97 . 1 774 . 85 PHE HD1 H 7.41 . 3 775 . 85 PHE CD1 C 130.58 . 2 776 . 85 PHE HE1 H 7.21 . 3 777 . 85 PHE CE1 C 130.51 . 2 778 . 86 ILE H H 8.65 . 1 779 . 86 ILE HA H 3.64 . 1 780 . 86 ILE N N 117.60 . 1 781 . 86 ILE CA C 61.22 . 1 782 . 86 ILE CB C 37.54 . 1 783 . 86 ILE HB H 1.11 . 1 784 . 86 ILE HG2 H 0.87 . 1 785 . 86 ILE HD1 H 0.66 . 1 786 . 86 ILE CG2 C 19.84 . 1 787 . 86 ILE HG13 H 1.24 . 2 788 . 86 ILE CG1 C 29.15 . 1 789 . 86 ILE CD1 C 14.30 . 1 790 . 86 ILE HG12 H 1.15 . 2 791 . 86 ILE C C 177.39 . 1 792 . 87 GLN H H 7.44 . 1 793 . 87 GLN N N 123.00 . 1 794 . 87 GLN HA H 4.08 . 1 795 . 87 GLN HB3 H 2.26 . 2 796 . 87 GLN CA C 59.69 . 1 797 . 87 GLN CB C 29.12 . 1 798 . 87 GLN HG3 H 2.42 . 2 799 . 87 GLN HG2 H 2.52 . 2 800 . 87 GLN C C 177.89 . 1 801 . 88 ALA H H 7.29 . 1 802 . 88 ALA N N 122.56 . 1 803 . 88 ALA HA H 3.65 . 1 804 . 88 ALA HB H 0.61 . 1 805 . 88 ALA CA C 54.89 . 1 806 . 88 ALA CB C 16.41 . 1 807 . 88 ALA C C 180.52 . 1 808 . 89 LEU H H 7.80 . 1 809 . 89 LEU HA H 3.78 . 1 810 . 89 LEU N N 119.74 . 1 811 . 89 LEU HB3 H 1.22 . 2 812 . 89 LEU CA C 57.15 . 1 813 . 89 LEU CB C 41.66 . 1 814 . 89 LEU HD1 H 0.06 . 2 815 . 89 LEU CD1 C 23.94 . 2 816 . 89 LEU CD2 C 23.46 . 2 817 . 89 LEU HD2 H -0.03 . 2 818 . 89 LEU C C 179.45 . 1 819 . 89 LEU HG H 1.17 . 1 820 . 89 LEU CG C 26.84 . 1 821 . 90 SER H H 8.10 . 1 822 . 90 SER N N 115.16 . 1 823 . 90 SER CA C 61.63 . 1 824 . 90 SER HB3 H 4.34 . 2 825 . 90 SER HB2 H 3.91 . 2 826 . 90 SER HA H 3.74 . 1 827 . 90 SER CB C 62.70 . 1 828 . 90 SER C C 176.40 . 1 829 . 91 VAL H H 7.70 . 1 830 . 91 VAL HA H 3.70 . 1 831 . 91 VAL N N 118.60 . 1 832 . 91 VAL HB H 1.88 . 1 833 . 91 VAL CA C 66.71 . 1 834 . 91 VAL CB C 31.85 . 1 835 . 91 VAL HG1 H 1.10 . 2 836 . 91 VAL HG2 H 0.76 . 2 837 . 91 VAL CG2 C 21.00 . 2 838 . 91 VAL CG1 C 22.91 . 2 839 . 91 VAL C C 177.90 . 1 840 . 92 THR H H 7.40 . 1 841 . 92 THR HA H 3.86 . 1 842 . 92 THR N N 107.39 . 1 843 . 92 THR CA C 65.18 . 1 844 . 92 THR CB C 69.53 . 1 845 . 92 THR HB H 4.13 . 1 846 . 92 THR HG2 H 0.64 . 1 847 . 92 THR C C 176.31 . 1 848 . 92 THR CG2 C 21.20 . 1 849 . 93 SER H H 7.98 . 1 850 . 93 SER N N 115.05 . 1 851 . 93 SER HB3 H 4.10 . 2 852 . 93 SER CA C 60.25 . 1 853 . 93 SER HA H 4.87 . 1 854 . 93 SER CB C 64.97 . 1 855 . 93 SER C C 175.67 . 1 856 . 94 ARG H H 7.98 . 1 857 . 94 ARG CA C 56.17 . 1 858 . 94 ARG N N 121.80 . 1 859 . 94 ARG HA H 4.68 . 1 860 . 94 ARG HG2 H 1.66 . 2 861 . 94 ARG CB C 33.70 . 1 862 . 94 ARG HB2 H 1.77 . 2 863 . 94 ARG C C 175.30 . 1 864 . 94 ARG CG C 24.83 . 1 865 . 95 GLY H H 7.60 . 1 866 . 95 GLY HA3 H 4.42 . 2 867 . 95 GLY N N 107.77 . 1 868 . 95 GLY CA C 45.81 . 1 869 . 95 GLY HA2 H 4.12 . 2 870 . 95 GLY C C 174.51 . 1 871 . 96 THR H H 8.80 . 1 872 . 96 THR HA H 4.50 . 1 873 . 96 THR N N 112.23 . 1 874 . 96 THR CA C 61.58 . 1 875 . 96 THR CB C 71.28 . 1 876 . 96 THR HG2 H 1.56 . 1 877 . 96 THR HB H 4.87 . 1 878 . 96 THR CG2 C 22.07 . 1 879 . 96 THR C C 175.47 . 1 880 . 97 LEU H H 8.91 . 1 881 . 97 LEU HA H 4.89 . 1 882 . 97 LEU N N 123.34 . 1 883 . 97 LEU CA C 59.28 . 1 884 . 97 LEU C C 178.84 . 1 885 . 97 LEU CB C 41.51 . 1 886 . 98 ASP H H 8.29 . 1 887 . 98 ASP HA H 4.54 . 1 888 . 98 ASP N N 116.61 . 1 889 . 98 ASP HB3 H 2.77 . 2 890 . 98 ASP CA C 58.17 . 1 891 . 98 ASP CB C 41.57 . 1 892 . 98 ASP C C 178.97 . 1 893 . 99 GLU H H 7.80 . 1 894 . 99 GLU N N 120.13 . 1 895 . 99 GLU HA H 4.20 . 1 896 . 99 GLU HG3 H 2.73 . 2 897 . 99 GLU HG2 H 2.57 . 2 898 . 99 GLU CA C 59.82 . 1 899 . 99 GLU CB C 30.08 . 1 900 . 99 GLU HB3 H 2.23 . 2 901 . 99 GLU C C 180.38 . 1 902 . 100 LYS H H 8.92 . 1 903 . 100 LYS N N 121.01 . 1 904 . 100 LYS HA H 4.07 . 1 905 . 100 LYS CA C 60.93 . 1 906 . 100 LYS CB C 34.08 . 1 907 . 100 LYS HB3 H 2.14 . 2 908 . 100 LYS C C 179.63 . 1 909 . 100 LYS HD3 H 1.74 . 2 910 . 100 LYS CD C 29.88 . 1 911 . 100 LYS HD2 H 1.59 . 2 912 . 100 LYS HB2 H 1.98 . 2 913 . 101 LEU H H 8.98 . 1 914 . 101 LEU N N 120.85 . 1 915 . 101 LEU HA H 4.50 . 1 916 . 101 LEU CA C 58.54 . 1 917 . 101 LEU CB C 42.48 . 1 918 . 101 LEU HB3 H 2.37 . 2 919 . 101 LEU HG H 1.77 . 1 920 . 101 LEU C C 179.45 . 1 921 . 101 LEU HD1 H 1.11 . 2 922 . 101 LEU CD1 C 24.68 . 2 923 . 101 LEU HD2 H 1.06 . 2 924 . 102 ARG H H 8.08 . 1 925 . 102 ARG N N 119.74 . 1 926 . 102 ARG HA H 4.23 . 1 927 . 102 ARG HB2 H 2.14 . 2 928 . 102 ARG CA C 60.29 . 1 929 . 102 ARG CB C 29.63 . 1 930 . 102 ARG C C 179.05 . 1 931 . 102 ARG HD2 H 3.41 . 2 932 . 102 ARG HD3 H 3.69 . 2 933 . 102 ARG CD C 43.17 . 1 934 . 102 ARG HG2 H 1.90 . 2 935 . 102 ARG CG C 27.39 . 1 936 . 102 ARG HB3 H 2.26 . 2 937 . 103 TRP H H 8.02 . 1 938 . 103 TRP N N 122.60 . 1 939 . 103 TRP HB3 H 3.58 . 2 940 . 103 TRP HB2 H 3.41 . 2 941 . 103 TRP CA C 62.23 . 1 942 . 103 TRP HA H 4.25 . 1 943 . 103 TRP HE1 H 10.09 . 1 944 . 103 TRP NE1 N 129.28 . 1 945 . 103 TRP CB C 29.61 . 1 946 . 103 TRP C C 177.95 . 1 947 . 103 TRP HD1 H 7.50 . 1 948 . 104 ALA H H 9.06 . 1 949 . 104 ALA CA C 55.42 . 1 950 . 104 ALA N N 120.68 . 1 951 . 104 ALA HA H 4.30 . 1 952 . 104 ALA HB H 2.13 . 1 953 . 104 ALA CB C 18.78 . 1 954 . 104 ALA C C 178.76 . 1 955 . 105 PHE H H 8.65 . 1 956 . 105 PHE CA C 62.78 . 1 957 . 105 PHE N N 119.52 . 1 958 . 105 PHE HA H 4.27 . 1 959 . 105 PHE HB3 H 3.34 . 2 960 . 105 PHE HB2 H 2.98 . 2 961 . 105 PHE C C 176.23 . 1 962 . 105 PHE CB C 39.68 . 1 963 . 106 LYS H H 7.24 . 1 964 . 106 LYS HA H 4.08 . 1 965 . 106 LYS N N 115.41 . 1 966 . 106 LYS HB3 H 2.01 . 2 967 . 106 LYS CA C 58.77 . 1 968 . 106 LYS HB2 H 1.87 . 2 969 . 106 LYS CB C 32.29 . 1 970 . 106 LYS HG3 H 1.76 . 2 971 . 106 LYS CG C 24.31 . 1 972 . 106 LYS HG2 H 1.61 . 2 973 . 106 LYS C C 178.00 . 1 974 . 107 LEU N N 119.81 . 1 975 . 107 LEU CA C 57.32 . 1 976 . 107 LEU H H 7.34 . 1 977 . 107 LEU HA H 3.83 . 1 978 . 107 LEU HB3 H 2.25 . 2 979 . 107 LEU CB C 41.51 . 1 980 . 107 LEU HG H 1.22 . 1 981 . 107 LEU HD1 H 0.92 . 2 982 . 107 LEU HD2 H 0.73 . 2 983 . 107 LEU CG C 27.26 . 1 984 . 107 LEU CD1 C 26.09 . 2 985 . 107 LEU CD2 C 24.26 . 2 986 . 107 LEU C C 176.39 . 1 987 . 108 TYR H H 7.40 . 1 988 . 108 TYR HA H 4.21 . 1 989 . 108 TYR N N 113.78 . 1 990 . 108 TYR CA C 59.94 . 1 991 . 108 TYR HB3 H 2.83 . 2 992 . 108 TYR CB C 40.07 . 1 993 . 108 TYR HB2 H 2.45 . 2 994 . 108 TYR C C 175.59 . 1 995 . 108 TYR HD1 H 7.28 . 3 996 . 108 TYR CD1 C 130.84 . 2 997 . 108 TYR HE1 H 6.83 . 3 998 . 108 TYR CE1 C 117.17 . 2 999 . 109 ASP H H 7.62 . 1 1000 . 109 ASP HA H 4.65 . 1 1001 . 109 ASP N N 115.66 . 1 1002 . 109 ASP CA C 51.98 . 1 1003 . 109 ASP HB3 H 2.70 . 2 1004 . 109 ASP HB2 H 1.66 . 2 1005 . 109 ASP CB C 38.21 . 1 1006 . 109 ASP C C 177.98 . 1 1007 . 110 LEU H H 7.59 . 1 1008 . 110 LEU N N 126.11 . 1 1009 . 110 LEU CA C 58.27 . 1 1010 . 110 LEU HA H 4.15 . 1 1011 . 110 LEU HG H 1.82 . 1 1012 . 110 LEU HB2 H 1.62 . 2 1013 . 110 LEU HD1 H 1.08 . 2 1014 . 110 LEU HD2 H 0.80 . 2 1015 . 110 LEU CD2 C 23.52 . 2 1016 . 110 LEU CD1 C 26.25 . 2 1017 . 110 LEU CB C 43.02 . 1 1018 . 110 LEU C C 179.51 . 1 1019 . 110 LEU HB3 H 1.97 . 2 1020 . 110 LEU CG C 27.08 . 1 1021 . 111 ASP H H 8.32 . 1 1022 . 111 ASP HA H 4.77 . 1 1023 . 111 ASP N N 115.54 . 1 1024 . 111 ASP CA C 52.75 . 1 1025 . 111 ASP HB3 H 2.75 . 2 1026 . 111 ASP HB2 H 3.29 . 2 1027 . 111 ASP C C 176.96 . 1 1028 . 111 ASP CB C 39.90 . 1 1029 . 112 ASN H H 8.22 . 1 1030 . 112 ASN N N 118.22 . 1 1031 . 112 ASN HA H 4.56 . 1 1032 . 112 ASN HB3 H 3.33 . 2 1033 . 112 ASN HB2 H 2.76 . 2 1034 . 112 ASN CA C 54.76 . 1 1035 . 112 ASN CB C 38.40 . 1 1036 . 112 ASN C C 175.16 . 1 1037 . 112 ASN HD21 H 6.80 . 2 1038 . 112 ASN ND2 N 111.98 . 1 1039 . 112 ASN HD22 H 7.59 . 2 1040 . 112 ASN CG C 178.76 . 1 1041 . 113 ASP H H 8.79 . 1 1042 . 113 ASP N N 120.59 . 1 1043 . 113 ASP HA H 4.86 . 1 1044 . 113 ASP HB3 H 3.31 . 2 1045 . 113 ASP CA C 54.32 . 1 1046 . 113 ASP HB2 H 2.73 . 2 1047 . 113 ASP CB C 41.64 . 1 1048 . 113 ASP C C 177.73 . 1 1049 . 114 GLY H H 10.75 . 1 1050 . 114 GLY N N 114.21 . 1 1051 . 114 GLY CA C 45.11 . 1 1052 . 114 GLY HA3 H 4.23 . 2 1053 . 114 GLY HA2 H 3.62 . 2 1054 . 114 GLY C C 172.72 . 1 1055 . 115 TYR H H 8.37 . 1 1056 . 115 TYR HA H 5.61 . 1 1057 . 115 TYR N N 118.37 . 1 1058 . 115 TYR HB3 H 3.16 . 2 1059 . 115 TYR HB2 H 2.74 . 2 1060 . 115 TYR CA C 55.75 . 1 1061 . 115 TYR HD1 H 7.05 . 3 1062 . 115 TYR CB C 42.40 . 1 1063 . 115 TYR C C 175.91 . 1 1064 . 115 TYR CD1 C 132.92 . 2 1065 . 115 TYR HE1 H 6.97 . 3 1066 . 115 TYR CE1 C 117.35 . 2 1067 . 116 ILE H H 9.70 . 1 1068 . 116 ILE N N 126.08 . 1 1069 . 116 ILE HA H 5.01 . 1 1070 . 116 ILE CA C 60.75 . 1 1071 . 116 ILE CB C 40.06 . 1 1072 . 116 ILE HB H 1.83 . 1 1073 . 116 ILE HG2 H 1.20 . 1 1074 . 116 ILE HD1 H 0.21 . 1 1075 . 116 ILE CG2 C 18.72 . 1 1076 . 116 ILE CD1 C 16.91 . 1 1077 . 116 ILE HG13 H 1.10 . 2 1078 . 116 ILE CG1 C 25.98 . 1 1079 . 116 ILE C C 177.91 . 1 1080 . 117 THR H H 9.60 . 1 1081 . 117 THR N N 120.73 . 1 1082 . 117 THR HA H 5.20 . 1 1083 . 117 THR CA C 60.95 . 1 1084 . 117 THR HG2 H 1.53 . 1 1085 . 117 THR HB H 4.95 . 1 1086 . 117 THR CB C 71.35 . 1 1087 . 117 THR CG2 C 22.61 . 1 1088 . 117 THR C C 176.30 . 1 1089 . 118 ARG H H 8.37 . 1 1090 . 118 ARG CA C 60.65 . 1 1091 . 118 ARG N N 122.49 . 1 1092 . 118 ARG HB2 H 1.58 . 2 1093 . 118 ARG HB3 H 1.26 . 2 1094 . 118 ARG HA H 3.53 . 1 1095 . 118 ARG HG2 H 1.00 . 2 1096 . 118 ARG CG C 27.82 . 1 1097 . 118 ARG HG3 H 0.89 . 2 1098 . 118 ARG CB C 29.77 . 1 1099 . 118 ARG HD2 H 3.04 . 2 1100 . 118 ARG CD C 43.08 . 1 1101 . 118 ARG HD3 H 3.09 . 2 1102 . 118 ARG C C 177.91 . 1 1103 . 119 ASN H H 8.37 . 1 1104 . 119 ASN HA H 4.50 . 1 1105 . 119 ASN N N 115.37 . 1 1106 . 119 ASN CA C 56.48 . 1 1107 . 119 ASN HB3 H 2.96 . 2 1108 . 119 ASN HB2 H 2.85 . 2 1109 . 119 ASN CB C 37.88 . 1 1110 . 119 ASN C C 177.98 . 1 1111 . 120 GLU H H 7.56 . 1 1112 . 120 GLU CA C 59.92 . 1 1113 . 120 GLU N N 122.08 . 1 1114 . 120 GLU HA H 4.22 . 1 1115 . 120 GLU HB3 H 2.68 . 2 1116 . 120 GLU C C 177.55 . 1 1117 . 120 GLU CB C 29.35 . 1 1118 . 121 MET H H 8.15 . 1 1119 . 121 MET HA H 4.40 . 1 1120 . 121 MET N N 116.77 . 1 1121 . 121 MET CA C 59.54 . 1 1122 . 121 MET HB3 H 2.44 . 2 1123 . 121 MET CB C 33.04 . 1 1124 . 121 MET HB2 H 2.35 . 2 1125 . 121 MET HG3 H 2.76 . 2 1126 . 121 MET CG C 33.59 . 1 1127 . 121 MET HG2 H 2.88 . 2 1128 . 121 MET C C 178.18 . 1 1129 . 122 LEU H H 8.83 . 1 1130 . 122 LEU N N 119.67 . 1 1131 . 122 LEU HA H 4.09 . 1 1132 . 122 LEU CA C 58.74 . 1 1133 . 122 LEU CB C 42.00 . 1 1134 . 122 LEU HB3 H 2.06 . 2 1135 . 122 LEU HD1 H 1.04 . 2 1136 . 122 LEU HD2 H 0.99 . 2 1137 . 122 LEU CD2 C 24.22 . 2 1138 . 122 LEU CD1 C 24.80 . 2 1139 . 122 LEU C C 177.96 . 1 1140 . 122 LEU HB2 H 1.76 . 2 1141 . 122 LEU HG H 1.85 . 1 1142 . 122 LEU CG C 27.11 . 1 1143 . 123 ASP H H 7.72 . 1 1144 . 123 ASP HA H 4.67 . 1 1145 . 123 ASP N N 120.81 . 1 1146 . 123 ASP HB3 H 3.04 . 2 1147 . 123 ASP CA C 56.59 . 1 1148 . 123 ASP HB2 H 2.75 . 2 1149 . 123 ASP CB C 40.65 . 1 1150 . 123 ASP C C 179.98 . 1 1151 . 124 ILE H H 7.65 . 1 1152 . 124 ILE N N 119.19 . 1 1153 . 124 ILE CA C 62.84 . 1 1154 . 124 ILE HA H 4.01 . 1 1155 . 124 ILE HB H 2.36 . 1 1156 . 124 ILE CB C 35.81 . 1 1157 . 124 ILE HG2 H 0.85 . 1 1158 . 124 ILE CG2 C 18.22 . 1 1159 . 124 ILE HD1 H 0.27 . 1 1160 . 124 ILE CD1 C 8.98 . 1 1161 . 124 ILE HG13 H 1.68 . 2 1162 . 124 ILE HG12 H 1.12 . 2 1163 . 124 ILE CG1 C 27.20 . 1 1164 . 124 ILE C C 178.42 . 1 1165 . 125 VAL H H 9.18 . 1 1166 . 125 VAL N N 121.78 . 1 1167 . 125 VAL HA H 3.84 . 1 1168 . 125 VAL HB H 2.13 . 1 1169 . 125 VAL CA C 67.76 . 1 1170 . 125 VAL CB C 31.78 . 1 1171 . 125 VAL HG1 H 0.98 . 2 1172 . 125 VAL CG1 C 23.00 . 2 1173 . 125 VAL HG2 H 1.31 . 2 1174 . 125 VAL CG2 C 23.99 . 2 1175 . 125 VAL C C 178.44 . 1 1176 . 126 ASP H H 9.27 . 1 1177 . 126 ASP N N 121.09 . 1 1178 . 126 ASP CA C 58.55 . 1 1179 . 126 ASP HA H 4.46 . 1 1180 . 126 ASP CB C 43.09 . 1 1181 . 126 ASP HB3 H 3.04 . 2 1182 . 126 ASP HB2 H 2.99 . 2 1183 . 126 ASP C C 178.07 . 1 1184 . 127 ALA H H 7.93 . 1 1185 . 127 ALA N N 121.40 . 1 1186 . 127 ALA HA H 4.36 . 1 1187 . 127 ALA HB H 2.14 . 1 1188 . 127 ALA CA C 55.84 . 1 1189 . 127 ALA CB C 18.44 . 1 1190 . 127 ALA C C 181.29 . 1 1191 . 128 ILE H H 9.08 . 1 1192 . 128 ILE CA C 66.67 . 1 1193 . 128 ILE N N 123.64 . 1 1194 . 128 ILE HA H 3.52 . 1 1195 . 128 ILE HB H 2.32 . 1 1196 . 128 ILE CB C 38.54 . 1 1197 . 128 ILE C C 177.98 . 1 1198 . 128 ILE CG2 C 17.76 . 1 1199 . 128 ILE HG2 H 0.44 . 1 1200 . 128 ILE HD1 H 1.09 . 1 1201 . 128 ILE CD1 C 14.18 . 1 1202 . 129 TYR H H 9.28 . 1 1203 . 129 TYR N N 123.35 . 1 1204 . 129 TYR HA H 4.42 . 1 1205 . 129 TYR CA C 61.41 . 1 1206 . 129 TYR CB C 36.67 . 1 1207 . 129 TYR HB3 H 3.62 . 2 1208 . 129 TYR HB2 H 3.27 . 2 1209 . 129 TYR C C 180.34 . 1 1210 . 129 TYR HD1 H 7.40 . 3 1211 . 129 TYR HE1 H 6.71 . 3 1212 . 129 TYR CD1 C 130.86 . 2 1213 . 129 TYR CE1 C 117.02 . 2 1214 . 130 GLN H H 8.66 . 1 1215 . 130 GLN N N 119.28 . 1 1216 . 130 GLN CA C 59.19 . 1 1217 . 130 GLN HA H 4.32 . 1 1218 . 130 GLN CB C 29.26 . 1 1219 . 130 GLN HG3 H 2.79 . 2 1220 . 130 GLN CG C 34.67 . 1 1221 . 130 GLN HB3 H 2.42 . 2 1222 . 130 GLN HG2 H 2.99 . 2 1223 . 130 GLN HB2 H 2.65 . 2 1224 . 130 GLN C C 178.51 . 1 1225 . 131 MET H H 7.87 . 1 1226 . 131 MET HA H 3.96 . 1 1227 . 131 MET N N 122.06 . 1 1228 . 131 MET CA C 59.30 . 1 1229 . 131 MET CB C 35.02 . 1 1230 . 131 MET HG3 H 2.59 . 2 1231 . 131 MET HB3 H 2.14 . 2 1232 . 131 MET C C 176.50 . 1 1233 . 132 VAL H H 8.40 . 1 1234 . 132 VAL HA H 4.18 . 1 1235 . 132 VAL N N 114.21 . 1 1236 . 132 VAL HB H 2.32 . 1 1237 . 132 VAL HG1 H 1.03 . 2 1238 . 132 VAL CA C 63.90 . 1 1239 . 132 VAL CB C 32.77 . 1 1240 . 132 VAL HG2 H 1.02 . 2 1241 . 132 VAL CG1 C 21.94 . 2 1242 . 132 VAL CG2 C 20.51 . 2 1243 . 132 VAL C C 178.40 . 1 1244 . 133 GLY H H 7.99 . 1 1245 . 133 GLY HA3 H 4.21 . 2 1246 . 133 GLY N N 109.21 . 1 1247 . 133 GLY HA2 H 4.05 . 2 1248 . 133 GLY CA C 46.52 . 1 1249 . 133 GLY C C 174.15 . 1 1250 . 134 ASN H H 8.62 . 1 1251 . 134 ASN N N 119.84 . 1 1252 . 134 ASN HB3 H 3.09 . 2 1253 . 134 ASN HA H 5.09 . 1 1254 . 134 ASN CA C 53.44 . 1 1255 . 134 ASN CB C 38.51 . 1 1256 . 134 ASN C C 176.44 . 1 1257 . 135 THR H H 8.21 . 1 1258 . 135 THR HA H 4.38 . 1 1259 . 135 THR N N 111.85 . 1 1260 . 135 THR CA C 63.35 . 1 1261 . 135 THR HG2 H 1.36 . 1 1262 . 135 THR CG2 C 21.81 . 1 1263 . 135 THR C C 174.84 . 1 1264 . 135 THR HB H 4.44 . 1 1265 . 135 THR CB C 70.52 . 1 1266 . 136 VAL H H 7.51 . 1 1267 . 136 VAL N N 119.20 . 1 1268 . 136 VAL HA H 4.44 . 1 1269 . 136 VAL HB H 2.17 . 1 1270 . 136 VAL HG1 H 1.06 . 2 1271 . 136 VAL CA C 61.41 . 1 1272 . 136 VAL CB C 33.90 . 1 1273 . 136 VAL CG1 C 21.46 . 2 1274 . 136 VAL HG2 H 1.03 . 2 1275 . 136 VAL CG2 C 20.45 . 2 1276 . 136 VAL C C 175.34 . 1 1277 . 137 GLU H H 8.43 . 1 1278 . 137 GLU N N 124.66 . 1 1279 . 137 GLU HA H 4.52 . 1 1280 . 137 GLU HG3 H 2.40 . 2 1281 . 137 GLU HB3 H 2.18 . 2 1282 . 137 GLU HB2 H 2.06 . 2 1283 . 137 GLU CA C 56.17 . 1 1284 . 137 GLU CB C 30.05 . 1 1285 . 137 GLU HG2 H 2.34 . 2 1286 . 137 GLU CG C 36.48 . 1 1287 . 137 GLU C C 176.16 . 1 1288 . 138 LEU H H 8.30 . 1 1289 . 138 LEU N N 127.18 . 1 1290 . 138 LEU HA H 4.83 . 1 1291 . 138 LEU HB2 H 1.73 . 2 1292 . 138 LEU HB3 H 1.38 . 2 1293 . 138 LEU CA C 52.58 . 1 1294 . 138 LEU HD1 H 0.87 . 2 1295 . 138 LEU CB C 42.19 . 1 1296 . 138 LEU CD2 C 22.74 . 2 1297 . 138 LEU HD2 H 0.88 . 2 1298 . 138 LEU CD1 C 25.71 . 2 1299 . 139 PRO C C 178.23 . 1 1300 . 139 PRO HA H 4.65 . 1 1301 . 139 PRO CA C 62.84 . 1 1302 . 139 PRO CB C 32.13 . 1 1303 . 139 PRO HG3 H 2.21 . 2 1304 . 139 PRO CG C 27.21 . 1 1305 . 139 PRO HB3 H 2.05 . 2 1306 . 139 PRO HD3 H 3.68 . 2 1307 . 139 PRO CD C 50.69 . 1 1308 . 139 PRO HD2 H 4.03 . 2 1309 . 140 GLU H H 8.87 . 1 1310 . 140 GLU N N 125.52 . 1 1311 . 140 GLU CA C 59.89 . 1 1312 . 140 GLU HA H 4.14 . 1 1313 . 140 GLU C C 178.44 . 1 1314 . 140 GLU CB C 30.01 . 1 1315 . 140 GLU HB3 H 2.20 . 2 1316 . 140 GLU HB2 H 2.29 . 2 1317 . 140 GLU HG3 H 2.58 . 2 1318 . 140 GLU HG2 H 2.49 . 2 1319 . 141 GLU H H 9.20 . 1 1320 . 141 GLU N N 115.69 . 1 1321 . 141 GLU HA H 4.36 . 1 1322 . 141 GLU CA C 58.57 . 1 1323 . 141 GLU CB C 29.56 . 1 1324 . 141 GLU C C 176.45 . 1 1325 . 141 GLU HG3 H 2.51 . 2 1326 . 141 GLU CG C 34.52 . 1 1327 . 141 GLU HB3 H 2.30 . 2 1328 . 141 GLU HB2 H 2.21 . 2 1329 . 142 GLU H H 8.10 . 1 1330 . 142 GLU HA H 4.77 . 1 1331 . 142 GLU N N 116.65 . 1 1332 . 142 GLU HB3 H 1.95 . 2 1333 . 142 GLU HG3 H 2.46 . 2 1334 . 142 GLU HB2 H 2.28 . 2 1335 . 142 GLU CA C 55.04 . 1 1336 . 142 GLU CB C 31.43 . 1 1337 . 142 GLU C C 176.25 . 1 1338 . 143 ASN H H 7.68 . 1 1339 . 143 ASN CA C 54.99 . 1 1340 . 143 ASN N N 119.61 . 1 1341 . 143 ASN HA H 4.28 . 1 1342 . 143 ASN HB3 H 3.11 . 2 1343 . 143 ASN HB2 H 2.46 . 2 1344 . 143 ASN C C 174.89 . 1 1345 . 143 ASN CB C 37.74 . 1 1346 . 144 THR H H 7.49 . 1 1347 . 144 THR HA H 5.09 . 1 1348 . 144 THR N N 109.94 . 1 1349 . 144 THR CA C 58.58 . 1 1350 . 144 THR HG2 H 1.47 . 1 1351 . 144 THR CB C 70.36 . 1 1352 . 144 THR C C 172.78 . 1 1353 . 144 THR CG2 C 21.95 . 1 1354 . 144 THR HB H 4.84 . 1 1355 . 145 PRO C C 177.56 . 1 1356 . 145 PRO HG3 H 3.86 . 2 1357 . 145 PRO HD2 H 4.09 . 2 1358 . 145 PRO CD C 50.54 . 1 1359 . 145 PRO CA C 65.70 . 1 1360 . 145 PRO CB C 32.32 . 1 1361 . 146 GLU H H 8.86 . 1 1362 . 146 GLU HA H 3.89 . 1 1363 . 146 GLU N N 117.13 . 1 1364 . 146 GLU HB3 H 2.16 . 2 1365 . 146 GLU CA C 60.85 . 1 1366 . 146 GLU HG2 H 2.40 . 2 1367 . 146 GLU CG C 37.01 . 1 1368 . 146 GLU HG3 H 2.53 . 2 1369 . 146 GLU HB2 H 2.06 . 2 1370 . 146 GLU C C 178.44 . 1 1371 . 146 GLU CB C 29.37 . 1 1372 . 147 LYS H H 7.69 . 1 1373 . 147 LYS HA H 4.71 . 1 1374 . 147 LYS N N 119.35 . 1 1375 . 147 LYS CA C 59.88 . 1 1376 . 147 LYS C C 179.73 . 1 1377 . 147 LYS CB C 33.60 . 1 1378 . 148 ARG H H 7.95 . 1 1379 . 148 ARG N N 120.14 . 1 1380 . 148 ARG HA H 4.28 . 1 1381 . 148 ARG HB2 H 2.30 . 2 1382 . 148 ARG CA C 59.31 . 1 1383 . 148 ARG CB C 29.80 . 1 1384 . 148 ARG C C 178.01 . 1 1385 . 149 VAL HB H 2.30 . 1 1386 . 149 VAL HA H 3.85 . 1 1387 . 149 VAL HG1 H 1.21 . 2 1388 . 149 VAL H H 8.71 . 1 1389 . 149 VAL CA C 67.82 . 1 1390 . 149 VAL N N 119.62 . 1 1391 . 149 VAL CB C 31.65 . 1 1392 . 149 VAL CG1 C 22.73 . 2 1393 . 149 VAL HG2 H 1.17 . 2 1394 . 149 VAL C C 177.89 . 1 1395 . 149 VAL CG2 C 24.76 . 2 1396 . 150 ASP H H 8.54 . 1 1397 . 150 ASP N N 121.03 . 1 1398 . 150 ASP HA H 4.72 . 1 1399 . 150 ASP HB3 H 3.03 . 2 1400 . 150 ASP CA C 58.26 . 1 1401 . 150 ASP CB C 40.26 . 1 1402 . 150 ASP C C 179.96 . 1 1403 . 150 ASP HB2 H 2.85 . 2 1404 . 151 ARG H H 7.95 . 1 1405 . 151 ARG HA H 4.77 . 1 1406 . 151 ARG N N 121.47 . 1 1407 . 151 ARG HB2 H 2.86 . 2 1408 . 151 ARG CA C 59.85 . 1 1409 . 151 ARG C C 179.18 . 1 1410 . 151 ARG CB C 30.18 . 1 1411 . 152 ILE H H 8.53 . 1 1412 . 152 ILE N N 121.47 . 1 1413 . 152 ILE HB H 2.31 . 1 1414 . 152 ILE HA H 3.94 . 1 1415 . 152 ILE CA C 65.51 . 1 1416 . 152 ILE CB C 38.09 . 1 1417 . 152 ILE CG2 C 17.63 . 1 1418 . 152 ILE HG13 H 1.33 . 2 1419 . 152 ILE CD1 C 13.87 . 1 1420 . 152 ILE CG1 C 29.24 . 1 1421 . 152 ILE C C 178.93 . 1 1422 . 152 ILE HG12 H 1.97 . 2 1423 . 152 ILE HG2 H 0.99 . 1 1424 . 152 ILE HD1 H 1.05 . 1 1425 . 153 PHE H H 9.30 . 1 1426 . 153 PHE N N 121.37 . 1 1427 . 153 PHE HA H 3.92 . 1 1428 . 153 PHE CA C 63.86 . 1 1429 . 153 PHE CB C 38.48 . 1 1430 . 153 PHE HB3 H 3.48 . 2 1431 . 153 PHE HB2 H 3.31 . 2 1432 . 153 PHE C C 178.53 . 1 1433 . 153 PHE HD1 H 7.62 . 3 1434 . 153 PHE CD1 C 130.66 . 2 1435 . 154 ALA H H 8.24 . 1 1436 . 154 ALA N N 121.75 . 1 1437 . 154 ALA HA H 4.39 . 1 1438 . 154 ALA HB H 1.77 . 1 1439 . 154 ALA CA C 55.29 . 1 1440 . 154 ALA CB C 18.28 . 1 1441 . 154 ALA C C 180.11 . 1 1442 . 155 MET H H 7.71 . 1 1443 . 155 MET HA H 4.50 . 1 1444 . 155 MET N N 114.93 . 1 1445 . 155 MET HB3 H 2.42 . 2 1446 . 155 MET HB2 H 2.29 . 2 1447 . 155 MET HG3 H 2.73 . 2 1448 . 155 MET HG2 H 2.93 . 2 1449 . 155 MET CA C 57.97 . 1 1450 . 155 MET CB C 34.25 . 1 1451 . 155 MET CG C 31.86 . 1 1452 . 155 MET C C 178.05 . 1 1453 . 155 MET HE H 2.28 . 1 1454 . 155 MET CE C 16.88 . 1 1455 . 156 MET H H 8.42 . 1 1456 . 156 MET HA H 4.67 . 1 1457 . 156 MET N N 114.52 . 1 1458 . 156 MET HG3 H 2.43 . 2 1459 . 156 MET HB2 H 1.98 . 2 1460 . 156 MET CA C 57.55 . 1 1461 . 156 MET HB3 H 1.82 . 2 1462 . 156 MET HG2 H 2.28 . 2 1463 . 156 MET C C 177.18 . 1 1464 . 156 MET CB C 34.93 . 1 1465 . 156 MET HE H 2.27 . 1 1466 . 156 MET CE C 16.87 . 1 1467 . 156 MET CG C 33.97 . 1 1468 . 157 ASP H H 8.55 . 1 1469 . 157 ASP N N 120.06 . 1 1470 . 157 ASP HA H 4.86 . 1 1471 . 157 ASP HB3 H 2.47 . 2 1472 . 157 ASP CA C 53.29 . 1 1473 . 157 ASP HB2 H 3.45 . 2 1474 . 157 ASP CB C 39.12 . 1 1475 . 157 ASP C C 177.91 . 1 1476 . 158 LYS H H 7.97 . 1 1477 . 158 LYS HA H 4.24 . 1 1478 . 158 LYS N N 128.08 . 1 1479 . 158 LYS CA C 58.78 . 1 1480 . 158 LYS HB3 H 2.12 . 2 1481 . 158 LYS CB C 32.71 . 1 1482 . 158 LYS HG3 H 1.68 . 2 1483 . 158 LYS CG C 25.01 . 1 1484 . 158 LYS HG2 H 1.86 . 2 1485 . 158 LYS C C 177.51 . 1 1486 . 159 ASN H H 8.07 . 1 1487 . 159 ASN HA H 5.03 . 1 1488 . 159 ASN N N 114.12 . 1 1489 . 159 ASN HB3 H 2.96 . 2 1490 . 159 ASN CA C 51.84 . 1 1491 . 159 ASN CB C 36.92 . 1 1492 . 159 ASN HB2 H 3.47 . 2 1493 . 159 ASN C C 174.35 . 1 1494 . 160 ALA H H 7.92 . 1 1495 . 160 ALA HA H 4.24 . 1 1496 . 160 ALA N N 121.84 . 1 1497 . 160 ALA HB H 1.59 . 1 1498 . 160 ALA CA C 53.68 . 1 1499 . 160 ALA CB C 17.32 . 1 1500 . 160 ALA C C 176.31 . 1 1501 . 161 ASP H H 8.39 . 1 1502 . 161 ASP HA H 4.91 . 1 1503 . 161 ASP N N 117.59 . 1 1504 . 161 ASP HB3 H 2.62 . 2 1505 . 161 ASP CA C 53.20 . 1 1506 . 161 ASP CB C 40.88 . 1 1507 . 161 ASP HB2 H 3.27 . 2 1508 . 161 ASP C C 178.48 . 1 1509 . 162 GLY H H 10.63 . 1 1510 . 162 GLY N N 113.74 . 1 1511 . 162 GLY HA3 H 3.78 . 2 1512 . 162 GLY HA2 H 4.34 . 2 1513 . 162 GLY CA C 46.11 . 1 1514 . 162 GLY C C 173.65 . 1 1515 . 163 LYS H H 8.20 . 1 1516 . 163 LYS HA H 5.53 . 1 1517 . 163 LYS N N 118.42 . 1 1518 . 163 LYS HB3 H 1.78 . 2 1519 . 163 LYS CA C 54.42 . 1 1520 . 163 LYS CB C 36.78 . 1 1521 . 163 LYS HG3 H 1.27 . 2 1522 . 163 LYS HD3 H 1.13 . 2 1523 . 163 LYS HD2 H 1.03 . 2 1524 . 163 LYS HG2 H 1.26 . 2 1525 . 163 LYS CG C 24.25 . 1 1526 . 163 LYS CD C 29.15 . 1 1527 . 163 LYS HE3 H 2.58 . 2 1528 . 163 LYS CE C 41.96 . 1 1529 . 163 LYS HE2 H 2.50 . 2 1530 . 163 LYS C C 175.12 . 1 1531 . 164 LEU H H 10.03 . 1 1532 . 164 LEU N N 125.25 . 1 1533 . 164 LEU HA H 6.01 . 1 1534 . 164 LEU CA C 53.22 . 1 1535 . 164 LEU CB C 43.42 . 1 1536 . 164 LEU HB3 H 2.17 . 2 1537 . 164 LEU HD1 H 0.43 . 2 1538 . 164 LEU HD2 H 0.58 . 2 1539 . 164 LEU HG H 1.52 . 1 1540 . 164 LEU CD1 C 23.57 . 2 1541 . 164 LEU CG C 26.16 . 1 1542 . 164 LEU CD2 C 26.12 . 2 1543 . 164 LEU HB2 H 1.54 . 2 1544 . 164 LEU C C 178.44 . 1 1545 . 165 THR H H 8.93 . 1 1546 . 165 THR HB H 4.96 . 1 1547 . 165 THR N N 114.56 . 1 1548 . 165 THR CA C 60.22 . 1 1549 . 165 THR CB C 71.99 . 1 1550 . 165 THR HG2 H 1.72 . 1 1551 . 165 THR CG2 C 22.91 . 1 1552 . 165 THR HA H 4.92 . 1 1553 . 165 THR C C 175.82 . 1 1554 . 166 LEU H H 9.04 . 1 1555 . 166 LEU N N 124.34 . 1 1556 . 166 LEU CA C 58.79 . 1 1557 . 166 LEU HA H 3.69 . 1 1558 . 166 LEU HB3 H 1.49 . 2 1559 . 166 LEU CB C 40.39 . 1 1560 . 166 LEU CD1 C 22.92 . 2 1561 . 166 LEU HD1 H 0.81 . 2 1562 . 166 LEU CD2 C 25.45 . 2 1563 . 166 LEU HG H 1.37 . 1 1564 . 166 LEU CG C 26.81 . 1 1565 . 166 LEU HD2 H 0.66 . 2 1566 . 166 LEU C C 178.53 . 1 1567 . 167 GLN H H 8.24 . 1 1568 . 167 GLN HA H 4.32 . 1 1569 . 167 GLN N N 118.53 . 1 1570 . 167 GLN CA C 60.31 . 1 1571 . 167 GLN HB3 H 2.19 . 2 1572 . 167 GLN C C 179.48 . 1 1573 . 167 GLN CB C 28.22 . 1 1574 . 167 GLN HB2 H 2.32 . 2 1575 . 168 GLU H H 8.07 . 1 1576 . 168 GLU HA H 4.35 . 1 1577 . 168 GLU N N 120.08 . 1 1578 . 168 GLU CA C 59.42 . 1 1579 . 168 GLU CB C 30.81 . 1 1580 . 168 GLU HB3 H 2.65 . 2 1581 . 168 GLU HB2 H 2.51 . 2 1582 . 168 GLU C C 180.63 . 1 1583 . 168 GLU HG3 H 2.85 . 2 1584 . 169 PHE H H 9.05 . 1 1585 . 169 PHE N N 123.58 . 1 1586 . 169 PHE HA H 4.57 . 1 1587 . 169 PHE CA C 61.39 . 1 1588 . 169 PHE HB3 H 3.34 . 2 1589 . 169 PHE HB2 H 3.65 . 2 1590 . 169 PHE CB C 41.36 . 1 1591 . 169 PHE C C 177.51 . 1 1592 . 169 PHE HE1 H 7.17 . 3 1593 . 169 PHE HD1 H 7.01 . 3 1594 . 170 GLN H H 9.57 . 1 1595 . 170 GLN N N 120.95 . 1 1596 . 170 GLN HA H 4.07 . 1 1597 . 170 GLN CA C 59.95 . 1 1598 . 170 GLN CB C 28.83 . 1 1599 . 170 GLN C C 179.06 . 1 1600 . 170 GLN HG3 H 2.78 . 2 1601 . 170 GLN CG C 34.39 . 1 1602 . 170 GLN HB3 H 2.33 . 2 1603 . 170 GLN HB2 H 2.53 . 2 1604 . 171 GLU H H 8.38 . 1 1605 . 171 GLU N N 119.69 . 1 1606 . 171 GLU HA H 4.20 . 1 1607 . 171 GLU HB3 H 2.27 . 2 1608 . 171 GLU CA C 59.50 . 1 1609 . 171 GLU CB C 29.71 . 1 1610 . 171 GLU HG3 H 2.63 . 2 1611 . 171 GLU CG C 36.61 . 1 1612 . 171 GLU HG2 H 2.55 . 2 1613 . 171 GLU C C 180.15 . 1 1614 . 172 GLY H H 8.53 . 1 1615 . 172 GLY N N 108.30 . 1 1616 . 172 GLY HA3 H 4.22 . 2 1617 . 172 GLY CA C 46.83 . 1 1618 . 172 GLY HA2 H 4.27 . 2 1619 . 172 GLY C C 176.11 . 1 1620 . 173 SER H H 8.03 . 1 1621 . 173 SER HA H 4.16 . 1 1622 . 173 SER N N 117.92 . 1 1623 . 173 SER CA C 61.51 . 1 1624 . 173 SER CB C 63.30 . 1 1625 . 173 SER HB3 H 3.64 . 2 1626 . 173 SER HB2 H 3.76 . 2 1627 . 173 SER C C 175.15 . 1 1628 . 174 LYS H H 7.30 . 1 1629 . 174 LYS N N 120.26 . 1 1630 . 174 LYS HA H 4.20 . 1 1631 . 174 LYS HB3 H 2.04 . 2 1632 . 174 LYS CA C 58.70 . 1 1633 . 174 LYS CB C 32.54 . 1 1634 . 174 LYS HE3 H 3.10 . 2 1635 . 174 LYS CE C 42.41 . 1 1636 . 174 LYS HG3 H 1.59 . 2 1637 . 174 LYS CG C 25.52 . 1 1638 . 174 LYS HD3 H 1.84 . 2 1639 . 174 LYS CD C 29.44 . 1 1640 . 174 LYS C C 177.93 . 1 1641 . 175 ALA N N 120.97 . 1 1642 . 175 ALA H H 7.40 . 1 1643 . 175 ALA HA H 4.53 . 1 1644 . 175 ALA HB H 1.68 . 1 1645 . 175 ALA CA C 53.21 . 1 1646 . 175 ALA CB C 19.25 . 1 1647 . 175 ALA C C 178.02 . 1 1648 . 176 ASP H H 7.68 . 1 1649 . 176 ASP HA H 5.13 . 1 1650 . 176 ASP N N 115.27 . 1 1651 . 176 ASP HB2 H 2.58 . 2 1652 . 176 ASP CA C 51.39 . 1 1653 . 176 ASP HB3 H 2.94 . 2 1654 . 176 ASP CB C 41.30 . 1 1655 . 176 ASP C C 173.30 . 1 1656 . 177 PRO C C 178.78 . 1 1657 . 177 PRO HA H 4.76 . 1 1658 . 177 PRO CB C 32.39 . 1 1659 . 177 PRO CA C 64.14 . 1 1660 . 177 PRO HD3 H 4.04 . 2 1661 . 177 PRO HD2 H 3.68 . 2 1662 . 177 PRO CD C 50.62 . 1 1663 . 177 PRO HB3 H 2.57 . 2 1664 . 177 PRO HG3 H 2.20 . 2 1665 . 177 PRO CG C 26.72 . 1 1666 . 178 SER H H 8.39 . 1 1667 . 178 SER CA C 61.94 . 1 1668 . 178 SER HA H 4.37 . 1 1669 . 178 SER N N 117.16 . 1 1670 . 178 SER HB3 H 4.15 . 2 1671 . 178 SER CB C 63.02 . 1 1672 . 178 SER C C 176.91 . 1 1673 . 179 ILE H H 7.56 . 1 1674 . 179 ILE N N 121.73 . 1 1675 . 179 ILE HA H 4.26 . 1 1676 . 179 ILE CA C 63.26 . 1 1677 . 179 ILE HB H 2.04 . 1 1678 . 179 ILE CB C 38.20 . 1 1679 . 179 ILE HD1 H 0.77 . 1 1680 . 179 ILE CD1 C 13.31 . 1 1681 . 179 ILE HG2 H 0.95 . 1 1682 . 179 ILE CG2 C 18.21 . 1 1683 . 179 ILE HG13 H 1.43 . 2 1684 . 179 ILE CG1 C 28.03 . 1 1685 . 179 ILE HG12 H 1.53 . 2 1686 . 179 ILE C C 177.20 . 1 1687 . 180 VAL H H 7.59 . 1 1688 . 180 VAL HA H 4.47 . 1 1689 . 180 VAL N N 117.40 . 1 1690 . 180 VAL HB H 2.48 . 1 1691 . 180 VAL HG1 H 1.15 . 2 1692 . 180 VAL CA C 63.27 . 1 1693 . 180 VAL CB C 32.22 . 1 1694 . 180 VAL CG1 C 21.97 . 2 1695 . 180 VAL HG2 H 0.97 . 2 1696 . 180 VAL CG2 C 22.17 . 2 1697 . 180 VAL C C 176.94 . 1 1698 . 181 GLN H H 7.97 . 1 1699 . 181 GLN HA H 4.40 . 1 1700 . 181 GLN N N 122.29 . 1 1701 . 181 GLN HB3 H 2.33 . 2 1702 . 181 GLN CA C 57.75 . 1 1703 . 181 GLN HG3 H 2.53 . 2 1704 . 181 GLN HG2 H 2.63 . 2 1705 . 181 GLN CG C 33.97 . 1 1706 . 181 GLN CB C 29.01 . 1 1707 . 181 GLN C C 176.92 . 1 1708 . 182 ALA H H 7.96 . 1 1709 . 182 ALA N N 121.46 . 1 1710 . 182 ALA HA H 4.40 . 1 1711 . 182 ALA CA C 54.04 . 1 1712 . 182 ALA HB H 1.64 . 1 1713 . 182 ALA CB C 18.88 . 1 1714 . 182 ALA C C 177.46 . 1 1715 . 183 LEU H H 7.67 . 1 1716 . 183 LEU HA H 4.62 . 1 1717 . 183 LEU N N 115.98 . 1 1718 . 183 LEU HB3 H 2.02 . 2 1719 . 183 LEU HB2 H 2.10 . 2 1720 . 183 LEU CA C 55.51 . 1 1721 . 183 LEU CB C 42.18 . 1 1722 . 183 LEU HD1 H 1.29 . 2 1723 . 183 LEU HD2 H 1.24 . 2 1724 . 183 LEU CD2 C 24.22 . 2 1725 . 183 LEU CD1 C 25.58 . 2 1726 . 183 LEU HG H 2.06 . 1 1727 . 183 LEU CG C 27.64 . 1 1728 . 183 LEU C C 176.49 . 1 1729 . 184 SER H H 7.89 . 1 1730 . 184 SER N N 114.77 . 1 1731 . 184 SER HB3 H 4.08 . 2 1732 . 184 SER CA C 58.19 . 1 1733 . 184 SER HA H 4.77 . 1 1734 . 184 SER CB C 64.22 . 1 1735 . 184 SER C C 174.99 . 1 1736 . 185 LEU H H 8.10 . 1 1737 . 185 LEU CA C 56.16 . 1 1738 . 185 LEU N N 125.70 . 1 1739 . 185 LEU HA H 4.34 . 1 1740 . 185 LEU HB3 H 1.51 . 2 1741 . 185 LEU CB C 43.11 . 1 1742 . 185 LEU HD1 H 0.73 . 2 1743 . 185 LEU CD1 C 24.51 . 2 1744 . 185 LEU HB2 H 1.40 . 2 1745 . 185 LEU C C 176.32 . 1 1746 . 185 LEU HG H 1.57 . 1 1747 . 185 LEU CG C 27.30 . 1 1748 . 186 TYR H H 7.54 . 1 1749 . 186 TYR HA H 4.40 . 1 1750 . 186 TYR N N 116.71 . 1 1751 . 186 TYR HB3 H 3.25 . 2 1752 . 186 TYR HB2 H 3.03 . 2 1753 . 186 TYR CA C 58.73 . 1 1754 . 186 TYR CB C 38.42 . 1 1755 . 186 TYR C C 176.85 . 1 1756 . 186 TYR HD1 H 7.21 . 3 1757 . 186 TYR CD1 C 131.89 . 2 1758 . 186 TYR HE1 H 7.05 . 3 1759 . 186 TYR CE1 C 117.65 . 2 1760 . 187 ASP H H 7.94 . 1 1761 . 187 ASP CA C 55.43 . 1 1762 . 187 ASP N N 121.63 . 1 1763 . 187 ASP HA H 4.36 . 1 1764 . 187 ASP HB3 H 2.26 . 2 1765 . 187 ASP C C 176.91 . 1 1766 . 187 ASP HB2 H 2.88 . 2 1767 . 187 ASP CB C 41.57 . 1 1768 . 188 GLY H H 8.16 . 1 1769 . 188 GLY HA3 H 4.03 . 2 1770 . 188 GLY N N 109.92 . 1 1771 . 188 GLY CA C 45.87 . 1 1772 . 188 GLY HA2 H 4.06 . 2 1773 . 188 GLY C C 174.22 . 1 1774 . 189 LEU H H 8.09 . 1 1775 . 189 LEU HA H 4.55 . 1 1776 . 189 LEU N N 122.36 . 1 1777 . 189 LEU HB3 H 1.85 . 2 1778 . 189 LEU CA C 55.95 . 1 1779 . 189 LEU CB C 43.03 . 1 1780 . 189 LEU HD1 H 0.98 . 2 1781 . 189 LEU HD2 H 1.03 . 2 1782 . 189 LEU CD2 C 25.43 . 2 1783 . 189 LEU HB2 H 1.78 . 2 1784 . 189 LEU CD1 C 23.97 . 2 1785 . 189 LEU CG C 29.52 . 1 1786 . 189 LEU C C 176.29 . 1 1787 . 190 VAL CA C 63.55 . 1 1788 . 190 VAL N N 123.67 . 1 1789 . 190 VAL HA H 4.26 . 1 1790 . 190 VAL HB H 2.20 . 1 1791 . 190 VAL HG1 H 0.99 . 2 1792 . 190 VAL H H 7.56 . 1 1793 . 190 VAL CG1 C 20.43 . 2 1794 . 190 VAL CB C 33.68 . 1 1795 . 190 VAL HG2 H 0.96 . 2 1796 . 190 VAL C C 181.08 . 1 stop_ save_