data_6742 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; De-ubiquitinating function of ataxin-3: insights from the solution structure of the Josephin domain ; _BMRB_accession_number 6742 _BMRB_flat_file_name bmr6742.str _Entry_type original _Submission_date 2005-07-21 _Accession_date 2005-07-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'H,C,N NMR chemical shifts for the Josephin domain of ataxin-3' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mao Yuxin . . 2 Hodsdon Michael E. . 3 'De Camilli' Pietro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1079 "13C chemical shifts" 750 "15N chemical shifts" 199 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-09-08 original author . stop_ _Original_release_date 2005-09-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Deubiquitinating function of ataxin-3: Insights from the solution structure of the Josephin domain. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16118278 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mao Yuxin . . 2 Senic-Matuglia Francesca . . 3 'Di Fiore' Pier P. . 4 Polo Simona . . 5 Hodsdon Michael E. . 6 'De Camilli' Pietro . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 102 _Journal_issue 36 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12700 _Page_last 12705 _Year 2005 _Details . loop_ _Keyword ataxin-3 Josephin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ataxin-3 josephin domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ataxin-3 josephin domain' $ataxin-3_josephin_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function de-ubiquitinase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ataxin-3_josephin_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ataxin-3 josephin domain' _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function de-ubiquitinase stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 190 _Mol_residue_sequence ; MPLGSMESIFHEKQEGSLCA QHCLNNLLQGEYFSPVELSS IAHQLDEEERMRMAEGGVTS EDYRTFLQQPSGNMDDSGFF SIQVISNALKVWGLELILFN SPEYQRLRIDPINERSFICN YKEHWFTVRKLGKQWFNLNS LLTGPELISDTYLALFLAQL QQEGYSIFVVKGDLPDCEAD QLLQMIRVQQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 LEU 4 GLY 5 SER 6 MET 7 GLU 8 SER 9 ILE 10 PHE 11 HIS 12 GLU 13 LYS 14 GLN 15 GLU 16 GLY 17 SER 18 LEU 19 CYS 20 ALA 21 GLN 22 HIS 23 CYS 24 LEU 25 ASN 26 ASN 27 LEU 28 LEU 29 GLN 30 GLY 31 GLU 32 TYR 33 PHE 34 SER 35 PRO 36 VAL 37 GLU 38 LEU 39 SER 40 SER 41 ILE 42 ALA 43 HIS 44 GLN 45 LEU 46 ASP 47 GLU 48 GLU 49 GLU 50 ARG 51 MET 52 ARG 53 MET 54 ALA 55 GLU 56 GLY 57 GLY 58 VAL 59 THR 60 SER 61 GLU 62 ASP 63 TYR 64 ARG 65 THR 66 PHE 67 LEU 68 GLN 69 GLN 70 PRO 71 SER 72 GLY 73 ASN 74 MET 75 ASP 76 ASP 77 SER 78 GLY 79 PHE 80 PHE 81 SER 82 ILE 83 GLN 84 VAL 85 ILE 86 SER 87 ASN 88 ALA 89 LEU 90 LYS 91 VAL 92 TRP 93 GLY 94 LEU 95 GLU 96 LEU 97 ILE 98 LEU 99 PHE 100 ASN 101 SER 102 PRO 103 GLU 104 TYR 105 GLN 106 ARG 107 LEU 108 ARG 109 ILE 110 ASP 111 PRO 112 ILE 113 ASN 114 GLU 115 ARG 116 SER 117 PHE 118 ILE 119 CYS 120 ASN 121 TYR 122 LYS 123 GLU 124 HIS 125 TRP 126 PHE 127 THR 128 VAL 129 ARG 130 LYS 131 LEU 132 GLY 133 LYS 134 GLN 135 TRP 136 PHE 137 ASN 138 LEU 139 ASN 140 SER 141 LEU 142 LEU 143 THR 144 GLY 145 PRO 146 GLU 147 LEU 148 ILE 149 SER 150 ASP 151 THR 152 TYR 153 LEU 154 ALA 155 LEU 156 PHE 157 LEU 158 ALA 159 GLN 160 LEU 161 GLN 162 GLN 163 GLU 164 GLY 165 TYR 166 SER 167 ILE 168 PHE 169 VAL 170 VAL 171 LYS 172 GLY 173 ASP 174 LEU 175 PRO 176 ASP 177 CYS 178 GLU 179 ALA 180 ASP 181 GLN 182 LEU 183 LEU 184 GLN 185 MET 186 ILE 187 ARG 188 VAL 189 GLN 190 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17333 JD 99.47 190 100.00 100.00 3.43e-136 BMRB 6241 ataxin-3 95.79 182 100.00 100.00 5.58e-131 PDB 1YZB "Solution Structure Of The Josephin Domain Of Ataxin-3" 95.79 182 100.00 100.00 5.58e-131 PDB 2AGA "De-Ubiquitinating Function Of Ataxin-3: Insights From The Solution Structure Of The Josephin Domain" 99.47 190 100.00 100.00 3.43e-136 PDB 2DOS "Structural Basis For The Recognition Of Lys48-linked Polyubiquitin Chain By The Josephin Domain Of Ataxin-3, A Putative Deubiqu" 92.11 176 100.00 100.00 2.91e-125 PDB 2JRI "Solution Structure Of The Josephin Domain Of Ataxin-3 In Complex With Ubiquitin Molecule." 95.79 182 100.00 100.00 5.58e-131 DBJ BAB18798 "ataxin-3 [Homo sapiens]" 64.74 306 99.19 100.00 6.39e-84 DBJ BAB25825 "unnamed protein product [Mus musculus]" 97.37 351 98.92 100.00 2.82e-132 DBJ BAB55645 "ataxin-3 [Homo sapiens]" 97.37 361 100.00 100.00 4.98e-134 DBJ BAB55646 "ataxin-3 [Homo sapiens]" 97.37 364 100.00 100.00 1.37e-132 DBJ BAC27155 "unnamed protein product [Mus musculus]" 97.37 355 98.38 100.00 1.13e-131 EMBL CAA72986 "spinocerebellar ataxia type 3 [Rattus norvegicus]" 97.37 355 98.92 100.00 2.48e-132 GB AAB33571 "MJD1 protein [Homo sapiens]" 97.37 360 100.00 100.00 1.86e-133 GB AAB63352 "josephin MJD1 [Homo sapiens]" 97.37 361 100.00 100.00 4.14e-134 GB AAB63353 "josephin MJD1 [Homo sapiens]" 97.37 364 100.00 100.00 1.34e-132 GB AAB63354 "josephin MJD1 [Homo sapiens]" 96.84 373 100.00 100.00 1.58e-133 GB AAH33711 "ATXN3 protein [Homo sapiens]" 97.37 370 100.00 100.00 3.21e-134 REF NP_001092686 "ataxin-3 [Bos taurus]" 97.37 291 100.00 100.00 2.87e-133 REF NP_001116553 "ataxin-3 [Sus scrofa]" 97.37 353 100.00 100.00 1.35e-133 REF NP_001124408 "ataxin-3 [Ovis aries]" 97.37 291 100.00 100.00 2.55e-133 REF NP_001158250 "ataxin-3 isoform o [Homo sapiens]" 67.89 154 100.00 100.00 6.21e-91 REF NP_001161386 "ataxin-3 isoform 2 [Mus musculus]" 97.37 291 98.92 100.00 1.96e-132 SP O35815 "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1 homolog [Rattus norvegicus]" 97.37 355 98.92 100.00 2.48e-132 SP P54252 "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1; AltName: Full=Spinocerebellar ataxia type 3 protein [Ho" 97.37 364 100.00 100.00 1.37e-132 SP Q9CVD2 "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1 homolog [Mus musculus]" 97.37 355 98.92 100.00 2.13e-132 TPG DAA17354 "TPA: ataxin-3 [Bos taurus]" 97.37 291 100.00 100.00 2.87e-133 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ataxin-3_josephin_domain Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ataxin-3_josephin_domain 'recombinant technology' 'E. 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 _Isotopic_labeling $ataxin-3_josephin_domain 1.5 mM '[U-100% 13C; U-100% 15N]' 'potassium phospate buffer' 20 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_Inova_600_MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D-HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _Sample_label $sample_1 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_(HCA)CO(CA)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label . save_ save_CC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label . save_ save_HCC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_3D-HNCO _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 0.2 pH temperature 298 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'ataxin-3 josephin domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.460 0.006 . 2 2 2 PRO HB2 H 2.294 0.005 . 3 2 2 PRO HB3 H 1.931 0.008 . 4 2 2 PRO HG2 H 2.002 0.007 . 5 2 2 PRO HG3 H 2.002 0.007 . 6 2 2 PRO HD2 H 3.564 0.004 . 7 2 2 PRO HD3 H 3.564 0.004 . 8 2 2 PRO C C 176.836 0.017 . 9 2 2 PRO CA C 63.453 0.063 . 10 2 2 PRO CB C 32.560 0.043 . 11 2 2 PRO CG C 27.313 0.011 . 12 2 2 PRO CD C 49.969 0.042 . 13 3 3 LEU H H 8.482 0.005 . 14 3 3 LEU HA H 4.355 0.005 . 15 3 3 LEU HB2 H 1.617 0.004 . 16 3 3 LEU HB3 H 1.617 0.004 . 17 3 3 LEU HG H 1.641 0.009 . 18 3 3 LEU HD1 H 0.915 0.005 . 19 3 3 LEU HD2 H 0.870 0.001 . 20 3 3 LEU C C 177.839 0.015 . 21 3 3 LEU CA C 55.600 0.041 . 22 3 3 LEU CB C 42.730 0.113 . 23 3 3 LEU CG C 27.319 0.007 . 24 3 3 LEU CD1 C 25.287 0.041 . 25 3 3 LEU CD2 C 23.813 0.058 . 26 3 3 LEU N N 121.819 0.039 . 27 4 4 GLY H H 8.467 0.007 . 28 4 4 GLY HA2 H 3.952 0.012 . 29 4 4 GLY C C 174.379 0.000 . 30 4 4 GLY CA C 45.746 0.039 . 31 4 4 GLY N N 109.905 0.043 . 32 5 5 SER H H 8.340 0.007 . 33 5 5 SER HA H 4.405 0.005 . 34 5 5 SER HB2 H 3.881 0.002 . 35 5 5 SER C C 175.374 0.000 . 36 5 5 SER CA C 59.293 0.070 . 37 5 5 SER CB C 64.034 0.083 . 38 5 5 SER N N 116.060 0.049 . 39 6 6 MET H H 8.572 0.008 . 40 6 6 MET HA H 4.231 0.007 . 41 6 6 MET HB2 H 2.055 0.011 . 42 6 6 MET HB3 H 2.055 0.011 . 43 6 6 MET HG2 H 2.635 0.008 . 44 6 6 MET HG3 H 2.443 0.010 . 45 6 6 MET HE H 2.082 0.008 . 46 6 6 MET C C 177.303 0.036 . 47 6 6 MET CA C 56.841 0.036 . 48 6 6 MET CB C 32.721 0.089 . 49 6 6 MET CG C 32.845 0.034 . 50 6 6 MET CE C 17.533 0.041 . 51 6 6 MET N N 120.810 0.062 . 52 7 7 GLU H H 8.358 0.007 . 53 7 7 GLU HA H 4.061 0.015 . 54 7 7 GLU HB2 H 2.042 0.012 . 55 7 7 GLU HB3 H 2.042 0.012 . 56 7 7 GLU HG2 H 2.282 0.002 . 57 7 7 GLU HG3 H 2.282 0.002 . 58 7 7 GLU C C 176.615 0.000 . 59 7 7 GLU CA C 58.776 0.090 . 60 7 7 GLU CB C 29.802 0.164 . 61 7 7 GLU CG C 36.669 0.003 . 62 7 7 GLU N N 119.831 0.081 . 63 8 8 SER H H 7.893 0.010 . 64 8 8 SER HA H 4.256 0.009 . 65 8 8 SER HB2 H 3.752 0.010 . 66 8 8 SER HB3 H 3.752 0.010 . 67 8 8 SER C C 173.811 0.005 . 68 8 8 SER CA C 59.757 0.076 . 69 8 8 SER CB C 64.062 0.057 . 70 8 8 SER N N 112.906 0.039 . 71 9 9 ILE H H 7.324 0.006 . 72 9 9 ILE HA H 3.549 0.011 . 73 9 9 ILE HB H 1.572 0.007 . 74 9 9 ILE HG12 H 1.335 0.013 . 75 9 9 ILE HG13 H 0.386 0.008 . 76 9 9 ILE HG2 H 0.489 0.008 . 77 9 9 ILE HD1 H -0.052 0.005 . 78 9 9 ILE C C 174.887 0.001 . 79 9 9 ILE CA C 62.856 0.107 . 80 9 9 ILE CB C 39.031 0.116 . 81 9 9 ILE CG1 C 28.064 0.054 . 82 9 9 ILE CG2 C 17.276 0.050 . 83 9 9 ILE CD1 C 13.131 0.050 . 84 9 9 ILE N N 122.268 0.083 . 85 10 10 PHE H H 8.840 0.008 . 86 10 10 PHE HA H 4.242 0.002 . 87 10 10 PHE HB2 H 2.762 0.015 . 88 10 10 PHE HB3 H 2.762 0.015 . 89 10 10 PHE C C 173.882 0.048 . 90 10 10 PHE CA C 58.763 0.073 . 91 10 10 PHE CB C 38.890 0.029 . 92 10 10 PHE N N 132.236 0.045 . 93 10 10 PHE HD1 H 7.210 0.011 . 94 10 10 PHE HD2 H 7.210 0.011 . 95 11 11 HIS H H 8.067 0.006 . 96 11 11 HIS HA H 4.421 0.010 . 97 11 11 HIS HB2 H 2.776 0.019 . 98 11 11 HIS HB3 H 2.554 0.013 . 99 11 11 HIS HE1 H 7.157 0.003 . 100 11 11 HIS C C 172.462 0.007 . 101 11 11 HIS CA C 56.546 0.033 . 102 11 11 HIS N N 128.266 0.082 . 103 12 12 GLU H H 9.720 0.010 . 104 12 12 GLU HA H 3.905 0.010 . 105 12 12 GLU HB2 H 1.965 0.007 . 106 12 12 GLU HB3 H 1.774 0.003 . 107 12 12 GLU HG2 H 2.334 0.007 . 108 12 12 GLU HG3 H 2.101 0.008 . 109 12 12 GLU C C 175.488 0.021 . 110 12 12 GLU CA C 56.564 0.057 . 111 12 12 GLU CG C 37.702 0.040 . 112 12 12 GLU N N 129.701 0.064 . 113 13 13 LYS H H 7.728 0.005 . 114 13 13 LYS HA H 4.284 0.011 . 115 13 13 LYS HB2 H 1.423 0.005 . 116 13 13 LYS HB3 H 1.743 0.014 . 117 13 13 LYS HG2 H 1.079 0.008 . 118 13 13 LYS HG3 H 1.330 0.003 . 119 13 13 LYS HD2 H 1.565 0.007 . 120 13 13 LYS HD3 H 1.565 0.007 . 121 13 13 LYS HE2 H 2.943 0.009 . 122 13 13 LYS HE3 H 2.943 0.009 . 123 13 13 LYS C C 175.318 0.039 . 124 13 13 LYS CA C 54.863 0.070 . 125 13 13 LYS CB C 34.022 0.059 . 126 13 13 LYS CG C 24.996 0.085 . 127 13 13 LYS CD C 29.126 0.035 . 128 13 13 LYS CE C 42.191 0.000 . 129 13 13 LYS N N 121.176 0.052 . 130 14 14 GLN H H 7.741 0.007 . 131 14 14 GLN HA H 4.379 0.006 . 132 14 14 GLN HB2 H 1.828 0.012 . 133 14 14 GLN HB3 H 2.242 0.003 . 134 14 14 GLN HG2 H 2.161 0.006 . 135 14 14 GLN HG3 H 2.327 0.003 . 136 14 14 GLN HE21 H 7.141 0.002 . 137 14 14 GLN HE22 H 7.928 0.003 . 138 14 14 GLN C C 174.679 0.028 . 139 14 14 GLN CA C 54.526 0.066 . 140 14 14 GLN N N 117.730 0.015 . 141 14 14 GLN NE2 N 112.400 0.012 . 142 15 15 GLU H H 8.941 0.029 . 143 15 15 GLU HA H 4.477 0.012 . 144 15 15 GLU HB2 H 1.947 0.005 . 145 15 15 GLU HB3 H 2.104 0.015 . 146 15 15 GLU HG2 H 2.240 0.012 . 147 15 15 GLU HG3 H 2.240 0.012 . 148 15 15 GLU C C 176.302 0.020 . 149 15 15 GLU CA C 56.319 0.068 . 150 15 15 GLU CB C 31.150 0.082 . 151 15 15 GLU CG C 36.404 0.045 . 152 15 15 GLU N N 124.535 0.135 . 153 16 16 GLY H H 8.545 0.006 . 154 16 16 GLY HA2 H 4.082 0.004 . 155 16 16 GLY HA3 H 4.082 0.004 . 156 16 16 GLY C C 174.527 0.000 . 157 16 16 GLY CA C 45.732 0.045 . 158 16 16 GLY N N 112.079 0.044 . 159 17 17 SER H H 8.609 0.007 . 160 17 17 SER HA H 4.494 0.006 . 161 17 17 SER HB2 H 3.940 0.007 . 162 17 17 SER HB3 H 4.025 0.006 . 163 17 17 SER C C 174.621 0.035 . 164 17 17 SER CA C 59.540 0.037 . 165 17 17 SER CB C 64.257 0.043 . 166 17 17 SER N N 117.205 0.044 . 167 18 18 LEU H H 8.055 0.006 . 168 18 18 LEU HA H 4.676 0.003 . 169 18 18 LEU HB2 H 1.857 0.005 . 170 18 18 LEU HB3 H 1.857 0.005 . 171 18 18 LEU HG H 1.865 0.012 . 172 18 18 LEU HD1 H 1.009 0.005 . 173 18 18 LEU HD2 H 1.114 0.006 . 174 18 18 LEU C C 176.370 0.005 . 175 18 18 LEU CA C 56.163 0.044 . 176 18 18 LEU CB C 41.345 0.052 . 177 18 18 LEU CG C 27.803 0.018 . 178 18 18 LEU CD1 C 24.881 0.048 . 179 18 18 LEU CD2 C 25.515 0.065 . 180 18 18 LEU N N 123.079 0.056 . 181 19 19 CYS H H 9.268 0.008 . 182 19 19 CYS HA H 5.003 0.009 . 183 19 19 CYS HB2 H 3.455 0.009 . 184 19 19 CYS HB3 H 3.354 0.013 . 185 19 19 CYS C C 176.828 0.027 . 186 19 19 CYS CA C 59.178 0.070 . 187 19 19 CYS CB C 30.741 0.001 . 188 19 19 CYS N N 119.126 0.066 . 189 20 20 ALA H H 8.879 0.011 . 190 20 20 ALA HA H 3.664 0.005 . 191 20 20 ALA HB H 1.002 0.007 . 192 20 20 ALA C C 177.695 0.002 . 193 20 20 ALA CA C 56.697 0.054 . 194 20 20 ALA CB C 19.236 0.056 . 195 20 20 ALA N N 126.814 0.059 . 196 21 21 GLN H H 8.890 0.007 . 197 21 21 GLN HA H 3.551 0.008 . 198 21 21 GLN HB2 H 1.730 0.004 . 199 21 21 GLN HB3 H 1.370 0.010 . 200 21 21 GLN HG2 H 2.195 0.013 . 201 21 21 GLN HG3 H 1.786 0.002 . 202 21 21 GLN HE21 H 7.652 0.003 . 203 21 21 GLN HE22 H 6.060 0.000 . 204 21 21 GLN C C 175.733 0.025 . 205 21 21 GLN CA C 58.955 0.079 . 206 21 21 GLN N N 115.825 0.038 . 207 21 21 GLN NE2 N 110.100 0.000 . 208 22 22 HIS H H 6.910 0.008 . 209 22 22 HIS HA H 4.861 0.000 . 210 22 22 HIS HB2 H 3.140 0.000 . 211 22 22 HIS HB3 H 3.456 0.000 . 212 22 22 HIS C C 176.207 0.005 . 213 22 22 HIS CA C 57.600 0.049 . 214 22 22 HIS N N 118.564 0.079 . 215 23 23 CYS H H 8.273 0.015 . 216 23 23 CYS HA H 4.497 0.008 . 217 23 23 CYS HB2 H 3.055 0.001 . 218 23 23 CYS HB3 H 2.923 0.002 . 219 23 23 CYS C C 176.962 0.007 . 220 23 23 CYS CA C 61.743 0.097 . 221 23 23 CYS N N 119.560 0.048 . 222 24 24 LEU H H 7.386 0.006 . 223 24 24 LEU HA H 3.799 0.009 . 224 24 24 LEU HB2 H 1.394 0.009 . 225 24 24 LEU HB3 H 0.942 0.018 . 226 24 24 LEU HG H 1.409 0.005 . 227 24 24 LEU HD1 H 0.309 0.004 . 228 24 24 LEU HD2 H -0.281 0.006 . 229 24 24 LEU C C 177.802 0.027 . 230 24 24 LEU CA C 58.078 0.062 . 231 24 24 LEU CB C 42.070 0.054 . 232 24 24 LEU CG C 26.097 0.053 . 233 24 24 LEU CD1 C 22.199 0.045 . 234 24 24 LEU CD2 C 25.241 0.075 . 235 24 24 LEU N N 118.154 0.049 . 236 25 25 ASN H H 8.494 0.007 . 237 25 25 ASN HA H 5.022 0.006 . 238 25 25 ASN HB2 H 2.973 0.015 . 239 25 25 ASN HB3 H 3.294 0.020 . 240 25 25 ASN HD21 H 7.256 0.011 . 241 25 25 ASN HD22 H 9.122 0.005 . 242 25 25 ASN C C 178.149 0.002 . 243 25 25 ASN CA C 56.120 0.066 . 244 25 25 ASN CB C 37.103 0.014 . 245 25 25 ASN N N 120.099 0.069 . 246 25 25 ASN ND2 N 111.440 0.079 . 247 26 26 ASN H H 9.047 0.009 . 248 26 26 ASN HA H 4.895 0.009 . 249 26 26 ASN HB2 H 3.337 0.010 . 250 26 26 ASN HB3 H 2.881 0.014 . 251 26 26 ASN C C 177.939 0.056 . 252 26 26 ASN CA C 56.358 0.018 . 253 26 26 ASN CB C 36.966 0.098 . 254 26 26 ASN N N 120.025 0.048 . 255 27 27 LEU H H 8.076 0.004 . 256 27 27 LEU HA H 4.029 0.008 . 257 27 27 LEU HB2 H 1.789 0.010 . 258 27 27 LEU HB3 H 2.240 0.006 . 259 27 27 LEU HG H 1.306 0.007 . 260 27 27 LEU HD1 H 0.966 0.003 . 261 27 27 LEU HD2 H 0.719 0.005 . 262 27 27 LEU C C 176.457 0.035 . 263 27 27 LEU CA C 59.496 0.112 . 264 27 27 LEU CB C 41.233 0.044 . 265 27 27 LEU CG C 27.387 0.000 . 266 27 27 LEU CD1 C 24.572 0.056 . 267 27 27 LEU CD2 C 27.374 0.045 . 268 27 27 LEU N N 121.100 0.000 . 269 28 28 LEU H H 7.890 0.007 . 270 28 28 LEU HA H 3.815 0.005 . 271 28 28 LEU HB2 H 1.477 0.004 . 272 28 28 LEU HB3 H 0.868 0.009 . 273 28 28 LEU HG H 1.358 0.004 . 274 28 28 LEU HD1 H -0.051 0.006 . 275 28 28 LEU HD2 H -0.272 0.007 . 276 28 28 LEU C C 176.536 0.007 . 277 28 28 LEU CA C 55.948 0.055 . 278 28 28 LEU CB C 42.176 0.096 . 279 28 28 LEU CG C 27.085 0.041 . 280 28 28 LEU CD1 C 21.429 0.038 . 281 28 28 LEU CD2 C 24.489 0.073 . 282 28 28 LEU N N 115.145 0.074 . 283 29 29 GLN H H 8.449 0.010 . 284 29 29 GLN HA H 3.467 0.005 . 285 29 29 GLN HB2 H 2.222 0.021 . 286 29 29 GLN HB3 H 2.222 0.021 . 287 29 29 GLN HG2 H 2.760 0.017 . 288 29 29 GLN HG3 H 2.595 0.005 . 289 29 29 GLN C C 173.655 0.007 . 290 29 29 GLN CA C 56.190 0.071 . 291 29 29 GLN N N 116.285 0.064 . 292 30 30 GLY H H 7.580 0.007 . 293 30 30 GLY HA2 H 2.962 0.004 . 294 30 30 GLY HA3 H 2.589 0.002 . 295 30 30 GLY C C 170.449 0.000 . 296 30 30 GLY CA C 45.710 0.131 . 297 30 30 GLY N N 106.130 0.035 . 298 31 31 GLU H H 7.773 0.006 . 299 31 31 GLU HA H 4.095 0.009 . 300 31 31 GLU HB2 H 1.756 0.009 . 301 31 31 GLU HB3 H 1.968 0.003 . 302 31 31 GLU HG2 H 2.406 0.008 . 303 31 31 GLU HG3 H 2.202 0.013 . 304 31 31 GLU C C 175.426 0.000 . 305 31 31 GLU CA C 55.181 0.086 . 306 31 31 GLU CB C 28.378 0.059 . 307 31 31 GLU CG C 36.633 0.085 . 308 31 31 GLU N N 118.926 0.058 . 309 32 32 TYR H H 7.634 0.007 . 310 32 32 TYR HA H 4.385 0.005 . 311 32 32 TYR HB2 H 2.262 0.009 . 312 32 32 TYR HB3 H 2.635 0.006 . 313 32 32 TYR HD1 H 6.764 0.007 . 314 32 32 TYR HD2 H 6.764 0.007 . 315 32 32 TYR HE1 H 6.344 0.008 . 316 32 32 TYR HE2 H 6.344 0.008 . 317 32 32 TYR C C 176.100 0.009 . 318 32 32 TYR CA C 59.870 0.065 . 319 32 32 TYR CB C 41.597 0.027 . 320 32 32 TYR CD1 C 133.309 0.032 . 321 32 32 TYR CE1 C 117.092 0.052 . 322 32 32 TYR N N 124.288 0.048 . 323 33 33 PHE H H 10.208 0.007 . 324 33 33 PHE HA H 4.725 0.005 . 325 33 33 PHE HB2 H 2.886 0.003 . 326 33 33 PHE HB3 H 2.630 0.011 . 327 33 33 PHE C C 174.509 0.000 . 328 33 33 PHE CA C 58.933 0.014 . 329 33 33 PHE CB C 42.907 0.000 . 330 33 33 PHE N N 119.023 0.061 . 331 33 33 PHE HD1 H 7.078 0.008 . 332 33 33 PHE HD2 H 7.078 0.008 . 333 34 34 SER H H 8.472 0.005 . 334 34 34 SER HA H 4.989 0.012 . 335 34 34 SER HB2 H 4.409 0.008 . 336 34 34 SER HB3 H 3.933 0.007 . 337 34 34 SER C C 172.671 0.000 . 338 34 34 SER CA C 56.133 0.034 . 339 34 34 SER CB C 65.892 0.090 . 340 34 34 SER N N 119.653 0.089 . 341 35 35 PRO HA H 4.139 0.010 . 342 35 35 PRO HB2 H 2.515 0.008 . 343 35 35 PRO HB3 H 2.091 0.012 . 344 35 35 PRO HG2 H 2.291 0.009 . 345 35 35 PRO HG3 H 1.924 0.009 . 346 35 35 PRO HD2 H 3.982 0.000 . 347 35 35 PRO HD3 H 3.923 0.001 . 348 35 35 PRO C C 178.262 0.002 . 349 35 35 PRO CA C 65.950 0.052 . 350 35 35 PRO CB C 32.307 0.054 . 351 35 35 PRO CG C 28.884 0.084 . 352 35 35 PRO CD C 51.054 0.043 . 353 36 36 VAL H H 7.694 0.006 . 354 36 36 VAL HA H 3.793 0.011 . 355 36 36 VAL HB H 1.920 0.023 . 356 36 36 VAL HG1 H 1.027 0.005 . 357 36 36 VAL HG2 H 0.925 0.002 . 358 36 36 VAL C C 178.465 0.008 . 359 36 36 VAL CA C 65.902 0.144 . 360 36 36 VAL CB C 32.203 0.080 . 361 36 36 VAL CG1 C 22.233 0.032 . 362 36 36 VAL CG2 C 20.973 0.074 . 363 36 36 VAL N N 117.313 0.066 . 364 37 37 GLU H H 7.927 0.006 . 365 37 37 GLU HA H 4.184 0.006 . 366 37 37 GLU HB2 H 2.523 0.015 . 367 37 37 GLU HG2 H 2.581 0.003 . 368 37 37 GLU HG3 H 2.324 0.005 . 369 37 37 GLU C C 179.472 0.026 . 370 37 37 GLU CA C 60.619 0.102 . 371 37 37 GLU CB C 33.990 0.000 . 372 37 37 GLU CG C 37.311 0.032 . 373 37 37 GLU N N 121.025 0.050 . 374 38 38 LEU H H 7.280 0.006 . 375 38 38 LEU HA H 3.805 0.009 . 376 38 38 LEU HB2 H 0.371 0.009 . 377 38 38 LEU HB3 H 1.292 0.007 . 378 38 38 LEU HG H 1.442 0.005 . 379 38 38 LEU HD1 H 0.123 0.009 . 380 38 38 LEU HD2 H 0.082 0.005 . 381 38 38 LEU C C 178.100 0.003 . 382 38 38 LEU CA C 57.877 0.065 . 383 38 38 LEU CB C 40.758 0.064 . 384 38 38 LEU CG C 26.898 0.060 . 385 38 38 LEU CD1 C 25.608 0.088 . 386 38 38 LEU CD2 C 22.097 0.063 . 387 38 38 LEU N N 116.885 0.064 . 388 39 39 SER H H 8.360 0.005 . 389 39 39 SER HA H 4.475 0.011 . 390 39 39 SER HB2 H 4.042 0.013 . 391 39 39 SER HB3 H 3.981 0.008 . 392 39 39 SER C C 176.787 0.016 . 393 39 39 SER CA C 62.016 0.071 . 394 39 39 SER CB C 63.040 0.080 . 395 39 39 SER N N 114.904 0.027 . 396 40 40 SER H H 8.009 0.003 . 397 40 40 SER HA H 4.333 0.009 . 398 40 40 SER HB2 H 4.074 0.011 . 399 40 40 SER HB3 H 4.096 0.001 . 400 40 40 SER C C 177.380 0.018 . 401 40 40 SER CA C 62.338 0.173 . 402 40 40 SER CB C 62.756 0.156 . 403 40 40 SER N N 118.085 0.048 . 404 41 41 ILE H H 7.709 0.005 . 405 41 41 ILE HA H 3.780 0.015 . 406 41 41 ILE HB H 1.914 0.016 . 407 41 41 ILE HG12 H 1.958 0.009 . 408 41 41 ILE HG2 H 1.006 0.007 . 409 41 41 ILE HD1 H 0.843 0.009 . 410 41 41 ILE C C 178.029 0.005 . 411 41 41 ILE CA C 65.629 0.079 . 412 41 41 ILE CB C 38.698 0.005 . 413 41 41 ILE CG1 C 28.924 0.000 . 414 41 41 ILE CG2 C 18.865 0.070 . 415 41 41 ILE CD1 C 13.597 0.066 . 416 41 41 ILE N N 122.823 0.037 . 417 42 42 ALA H H 8.257 0.008 . 418 42 42 ALA HA H 3.832 0.008 . 419 42 42 ALA HB H 1.546 0.005 . 420 42 42 ALA C C 178.795 0.001 . 421 42 42 ALA CA C 56.192 0.032 . 422 42 42 ALA CB C 19.003 0.044 . 423 42 42 ALA N N 121.423 0.034 . 424 43 43 HIS H H 8.585 0.008 . 425 43 43 HIS HA H 4.511 0.006 . 426 43 43 HIS HB2 H 3.392 0.009 . 427 43 43 HIS HB3 H 3.392 0.009 . 428 43 43 HIS HD2 H 7.368 0.009 . 429 43 43 HIS HE1 H 8.486 0.003 . 430 43 43 HIS C C 177.385 0.000 . 431 43 43 HIS CA C 59.068 0.048 . 432 43 43 HIS CB C 28.856 0.101 . 433 43 43 HIS CD2 C 119.959 0.017 . 434 43 43 HIS CE1 C 136.718 0.020 . 435 43 43 HIS N N 114.846 0.060 . 436 44 44 GLN H H 8.110 0.005 . 437 44 44 GLN HA H 4.051 0.000 . 438 44 44 GLN HB2 H 2.258 0.001 . 439 44 44 GLN HB3 H 2.258 0.001 . 440 44 44 GLN HG2 H 2.525 0.000 . 441 44 44 GLN HG3 H 2.396 0.000 . 442 44 44 GLN N N 120.859 0.054 . 443 45 45 LEU HA H 4.067 0.005 . 444 45 45 LEU HB2 H 1.868 0.009 . 445 45 45 LEU HB3 H 1.439 0.000 . 446 45 45 LEU HG H 1.776 0.000 . 447 45 45 LEU HD1 H 0.797 0.006 . 448 45 45 LEU HD2 H 0.641 0.008 . 449 45 45 LEU C C 180.095 0.002 . 450 45 45 LEU CA C 58.099 0.022 . 451 45 45 LEU CB C 42.383 0.059 . 452 45 45 LEU CG C 26.880 0.000 . 453 45 45 LEU CD1 C 23.082 0.032 . 454 45 45 LEU CD2 C 27.074 0.048 . 455 46 46 ASP H H 8.456 0.005 . 456 46 46 ASP HA H 4.468 0.005 . 457 46 46 ASP HB2 H 2.969 0.013 . 458 46 46 ASP HB3 H 2.766 0.006 . 459 46 46 ASP C C 178.916 0.000 . 460 46 46 ASP CA C 57.713 0.040 . 461 46 46 ASP CB C 40.510 0.090 . 462 46 46 ASP N N 121.245 0.063 . 463 47 47 GLU H H 8.182 0.007 . 464 47 47 GLU HA H 4.115 0.009 . 465 47 47 GLU C C 178.625 0.000 . 466 47 47 GLU CA C 59.300 0.000 . 467 47 47 GLU N N 121.392 0.084 . 468 49 49 GLU C C 178.667 0.000 . 469 49 49 GLU CA C 59.317 0.044 . 470 49 49 GLU CB C 29.547 0.024 . 471 49 49 GLU CG C 33.985 0.000 . 472 50 50 ARG H H 8.209 0.006 . 473 50 50 ARG HA H 3.919 0.011 . 474 50 50 ARG HB2 H 2.014 0.006 . 475 50 50 ARG HB3 H 2.014 0.006 . 476 50 50 ARG HG2 H 1.677 0.000 . 477 50 50 ARG HG3 H 1.792 0.000 . 478 50 50 ARG HD2 H 3.212 0.000 . 479 50 50 ARG HD3 H 3.212 0.000 . 480 50 50 ARG HE H 7.774 0.002 . 481 50 50 ARG C C 179.148 0.004 . 482 50 50 ARG CA C 60.082 0.066 . 483 50 50 ARG N N 120.334 0.083 . 484 50 50 ARG NE N 118.335 0.000 . 485 51 51 MET H H 8.211 0.006 . 486 51 51 MET HA H 4.191 0.005 . 487 51 51 MET HB2 H 2.149 0.015 . 488 51 51 MET HB3 H 2.206 0.002 . 489 51 51 MET HG2 H 2.741 0.004 . 490 51 51 MET HG3 H 2.572 0.009 . 491 51 51 MET HE H 2.077 0.000 . 492 51 51 MET C C 178.500 0.036 . 493 51 51 MET CA C 58.503 0.053 . 494 51 51 MET CB C 32.556 0.033 . 495 51 51 MET CG C 32.559 0.042 . 496 51 51 MET CE C 17.121 0.008 . 497 51 51 MET N N 117.920 0.054 . 498 52 52 ARG H H 7.869 0.005 . 499 52 52 ARG HA H 4.131 0.008 . 500 52 52 ARG HB2 H 1.943 0.006 . 501 52 52 ARG HB3 H 1.943 0.006 . 502 52 52 ARG HG2 H 1.769 0.004 . 503 52 52 ARG HG3 H 1.598 0.011 . 504 52 52 ARG HD2 H 3.214 0.010 . 505 52 52 ARG HD3 H 3.214 0.010 . 506 52 52 ARG HE H 7.547 0.002 . 507 52 52 ARG C C 179.210 0.008 . 508 52 52 ARG CA C 59.212 0.067 . 509 52 52 ARG CB C 30.538 0.079 . 510 52 52 ARG CG C 27.956 0.080 . 511 52 52 ARG CD C 43.697 0.030 . 512 52 52 ARG N N 119.995 0.043 . 513 52 52 ARG NE N 118.637 0.052 . 514 53 53 MET H H 8.054 0.006 . 515 53 53 MET HA H 4.257 0.012 . 516 53 53 MET HB2 H 1.974 0.009 . 517 53 53 MET HB3 H 2.062 0.000 . 518 53 53 MET HG2 H 2.417 0.006 . 519 53 53 MET HG3 H 2.325 0.009 . 520 53 53 MET HE H 1.960 0.001 . 521 53 53 MET C C 177.657 0.026 . 522 53 53 MET CA C 57.191 0.058 . 523 53 53 MET CB C 32.303 0.069 . 524 53 53 MET CG C 32.249 0.003 . 525 53 53 MET CE C 17.117 0.040 . 526 53 53 MET N N 118.483 0.031 . 527 54 54 ALA H H 8.016 0.007 . 528 54 54 ALA HA H 3.996 0.009 . 529 54 54 ALA HB H 1.405 0.003 . 530 54 54 ALA C C 179.038 0.000 . 531 54 54 ALA CA C 53.830 0.053 . 532 54 54 ALA CB C 18.775 0.069 . 533 54 54 ALA N N 122.304 0.052 . 534 55 55 GLU H H 7.861 0.008 . 535 55 55 GLU HA H 4.162 0.011 . 536 55 55 GLU HB2 H 2.079 0.013 . 537 55 55 GLU HB3 H 2.079 0.013 . 538 55 55 GLU HG2 H 2.419 0.009 . 539 55 55 GLU HG3 H 2.280 0.015 . 540 55 55 GLU C C 177.594 0.005 . 541 55 55 GLU CA C 58.056 0.038 . 542 55 55 GLU CB C 29.994 0.131 . 543 55 55 GLU CG C 36.500 0.056 . 544 55 55 GLU N N 119.011 0.045 . 545 56 56 GLY H H 8.010 0.004 . 546 56 56 GLY HA2 H 3.939 0.004 . 547 56 56 GLY C C 174.689 0.000 . 548 56 56 GLY CA C 45.719 0.060 . 549 56 56 GLY N N 107.297 0.082 . 550 57 57 GLY H H 7.999 0.003 . 551 57 57 GLY HA2 H 4.123 0.007 . 552 57 57 GLY HA3 H 3.910 0.005 . 553 57 57 GLY C C 174.477 0.000 . 554 57 57 GLY CA C 45.500 0.079 . 555 57 57 GLY N N 108.678 0.058 . 556 58 58 VAL H H 8.046 0.008 . 557 58 58 VAL HA H 4.109 0.008 . 558 58 58 VAL HB H 2.123 0.011 . 559 58 58 VAL HG1 H 0.864 0.009 . 560 58 58 VAL HG2 H 0.917 0.004 . 561 58 58 VAL C C 176.369 0.005 . 562 58 58 VAL CA C 62.566 0.062 . 563 58 58 VAL CB C 32.670 0.061 . 564 58 58 VAL CG1 C 21.433 0.031 . 565 58 58 VAL CG2 C 20.187 0.068 . 566 58 58 VAL N N 118.706 0.085 . 567 59 59 THR H H 8.258 0.007 . 568 59 59 THR HA H 4.441 0.010 . 569 59 59 THR HB H 4.422 0.003 . 570 59 59 THR HG2 H 1.217 0.009 . 571 59 59 THR C C 174.848 0.001 . 572 59 59 THR CA C 61.669 0.097 . 573 59 59 THR CB C 70.098 0.037 . 574 59 59 THR CG2 C 21.947 0.075 . 575 59 59 THR N N 114.884 0.070 . 576 60 60 SER H H 8.215 0.005 . 577 60 60 SER HA H 4.421 0.014 . 578 60 60 SER HB2 H 3.935 0.016 . 579 60 60 SER HB3 H 3.867 0.008 . 580 60 60 SER C C 175.338 0.022 . 581 60 60 SER CA C 59.153 0.071 . 582 60 60 SER CB C 64.077 0.110 . 583 60 60 SER N N 117.806 0.045 . 584 61 61 GLU H H 8.703 0.007 . 585 61 61 GLU HA H 4.161 0.014 . 586 61 61 GLU HB2 H 2.032 0.018 . 587 61 61 GLU HB3 H 2.032 0.018 . 588 61 61 GLU HG2 H 2.277 0.011 . 589 61 61 GLU HG3 H 2.277 0.011 . 590 61 61 GLU C C 177.407 0.006 . 591 61 61 GLU CA C 58.488 0.042 . 592 61 61 GLU CB C 29.926 0.131 . 593 61 61 GLU CG C 36.522 0.064 . 594 61 61 GLU N N 122.854 0.080 . 595 62 62 ASP H H 8.240 0.007 . 596 62 62 ASP HA H 4.470 0.013 . 597 62 62 ASP HB2 H 2.639 0.006 . 598 62 62 ASP HB3 H 2.639 0.006 . 599 62 62 ASP C C 177.425 0.004 . 600 62 62 ASP CA C 55.933 0.057 . 601 62 62 ASP CB C 40.957 0.060 . 602 62 62 ASP N N 119.758 0.057 . 603 63 63 TYR H H 8.067 0.008 . 604 63 63 TYR HA H 4.315 0.008 . 605 63 63 TYR HB2 H 3.045 0.007 . 606 63 63 TYR HB3 H 3.045 0.007 . 607 63 63 TYR HD1 H 7.053 0.008 . 608 63 63 TYR HD2 H 7.053 0.008 . 609 63 63 TYR HE1 H 6.827 0.006 . 610 63 63 TYR HE2 H 6.827 0.006 . 611 63 63 TYR C C 176.302 0.010 . 612 63 63 TYR CA C 60.224 0.071 . 613 63 63 TYR CB C 38.533 0.075 . 614 63 63 TYR CD1 C 133.050 0.022 . 615 63 63 TYR CE1 C 118.208 0.015 . 616 63 63 TYR N N 121.548 0.043 . 617 64 64 ARG H H 8.008 0.015 . 618 64 64 ARG HA H 3.992 0.009 . 619 64 64 ARG HB2 H 1.823 0.009 . 620 64 64 ARG HB3 H 1.823 0.009 . 621 64 64 ARG HG2 H 1.563 0.009 . 622 64 64 ARG HG3 H 1.608 0.002 . 623 64 64 ARG HD2 H 3.168 0.008 . 624 64 64 ARG HD3 H 3.168 0.008 . 625 64 64 ARG C C 178.056 0.002 . 626 64 64 ARG CA C 58.581 0.055 . 627 64 64 ARG CB C 30.513 0.082 . 628 64 64 ARG CG C 27.621 0.091 . 629 64 64 ARG CD C 43.649 0.009 . 630 64 64 ARG N N 119.511 0.077 . 631 65 65 THR H H 8.075 0.008 . 632 65 65 THR HA H 4.040 0.010 . 633 65 65 THR HB H 4.171 0.005 . 634 65 65 THR HG2 H 1.146 0.004 . 635 65 65 THR C C 175.587 0.008 . 636 65 65 THR CA C 64.523 0.089 . 637 65 65 THR CB C 69.482 0.131 . 638 65 65 THR CG2 C 21.958 0.051 . 639 65 65 THR N N 114.094 0.030 . 640 66 66 PHE H H 7.929 0.006 . 641 66 66 PHE HA H 4.424 0.004 . 642 66 66 PHE HB2 H 3.198 0.004 . 643 66 66 PHE HB3 H 3.113 0.008 . 644 66 66 PHE HD1 H 7.164 0.003 . 645 66 66 PHE HD2 H 7.164 0.003 . 646 66 66 PHE HE1 H 7.299 0.003 . 647 66 66 PHE HE2 H 7.299 0.003 . 648 66 66 PHE HZ H 7.278 0.001 . 649 66 66 PHE C C 176.651 0.011 . 650 66 66 PHE CA C 59.681 0.066 . 651 66 66 PHE CB C 39.356 0.061 . 652 66 66 PHE CD1 C 131.714 0.040 . 653 66 66 PHE CE1 C 131.630 0.050 . 654 66 66 PHE CZ C 129.858 0.008 . 655 66 66 PHE N N 122.656 0.049 . 656 67 67 LEU H H 7.933 0.004 . 657 67 67 LEU HA H 4.018 0.009 . 658 67 67 LEU HB2 H 1.635 0.010 . 659 67 67 LEU HB3 H 1.475 0.008 . 660 67 67 LEU HG H 1.480 0.008 . 661 67 67 LEU HD1 H 0.822 0.003 . 662 67 67 LEU HD2 H 0.809 0.004 . 663 67 67 LEU C C 177.396 0.005 . 664 67 67 LEU CA C 56.129 0.053 . 665 67 67 LEU CB C 42.531 0.051 . 666 67 67 LEU CG C 26.902 0.021 . 667 67 67 LEU CD1 C 25.487 0.030 . 668 67 67 LEU CD2 C 23.217 0.046 . 669 67 67 LEU N N 120.410 0.042 . 670 68 68 GLN H H 7.748 0.006 . 671 68 68 GLN HA H 4.232 0.008 . 672 68 68 GLN HB2 H 2.115 0.027 . 673 68 68 GLN HB3 H 1.992 0.014 . 674 68 68 GLN HG2 H 2.341 0.013 . 675 68 68 GLN HG3 H 2.341 0.013 . 676 68 68 GLN HE21 H 7.463 0.003 . 677 68 68 GLN HE22 H 6.825 0.001 . 678 68 68 GLN C C 175.752 0.018 . 679 68 68 GLN CA C 56.012 0.022 . 680 68 68 GLN CB C 29.547 0.148 . 681 68 68 GLN CG C 34.071 0.042 . 682 68 68 GLN N N 117.547 0.059 . 683 68 68 GLN NE2 N 112.000 0.000 . 684 69 69 GLN H H 7.878 0.008 . 685 69 69 GLN HA H 4.534 0.009 . 686 69 69 GLN HB2 H 2.064 0.008 . 687 69 69 GLN HB3 H 1.904 0.010 . 688 69 69 GLN HG2 H 2.398 0.009 . 689 69 69 GLN HG3 H 2.398 0.009 . 690 69 69 GLN HE21 H 6.873 0.002 . 691 69 69 GLN HE22 H 7.437 0.001 . 692 69 69 GLN C C 173.999 0.000 . 693 69 69 GLN CA C 53.927 0.067 . 694 69 69 GLN CB C 28.737 0.075 . 695 69 69 GLN CG C 33.731 0.037 . 696 69 69 GLN N N 121.028 0.042 . 697 69 69 GLN NE2 N 112.362 0.053 . 698 70 70 PRO HA H 4.399 0.010 . 699 70 70 PRO HB2 H 2.278 0.007 . 700 70 70 PRO HB3 H 1.930 0.003 . 701 70 70 PRO HG2 H 1.991 0.006 . 702 70 70 PRO HG3 H 1.991 0.006 . 703 70 70 PRO HD2 H 3.719 0.013 . 704 70 70 PRO HD3 H 3.591 0.007 . 705 70 70 PRO C C 176.589 0.002 . 706 70 70 PRO CA C 63.369 0.146 . 707 70 70 PRO CB C 32.410 0.072 . 708 70 70 PRO CG C 27.619 0.036 . 709 70 70 PRO CD C 50.782 0.245 . 710 71 71 SER H H 8.403 0.005 . 711 71 71 SER HA H 4.308 0.006 . 712 71 71 SER HB2 H 3.947 0.007 . 713 71 71 SER HB3 H 3.947 0.007 . 714 71 71 SER C C 175.781 0.007 . 715 71 71 SER CA C 58.908 0.073 . 716 71 71 SER CB C 64.167 0.075 . 717 71 71 SER N N 115.383 0.059 . 718 72 72 GLY H H 8.715 0.008 . 719 72 72 GLY HA2 H 4.176 0.014 . 720 72 72 GLY HA3 H 3.954 0.003 . 721 72 72 GLY C C 174.319 0.000 . 722 72 72 GLY CA C 45.490 0.059 . 723 72 72 GLY N N 112.374 0.054 . 724 73 73 ASN H H 9.029 0.010 . 725 73 73 ASN HA H 4.887 0.003 . 726 73 73 ASN HB2 H 2.652 0.013 . 727 73 73 ASN HB3 H 2.652 0.013 . 728 73 73 ASN HD21 H 8.267 0.002 . 729 73 73 ASN HD22 H 7.295 0.008 . 730 73 73 ASN C C 173.822 0.010 . 731 73 73 ASN CA C 55.006 0.052 . 732 73 73 ASN CB C 40.968 0.057 . 733 73 73 ASN N N 118.454 0.076 . 734 73 73 ASN ND2 N 117.397 0.053 . 735 74 74 MET H H 8.036 0.007 . 736 74 74 MET HA H 4.850 0.018 . 737 74 74 MET HB2 H 1.917 0.014 . 738 74 74 MET HB3 H 1.849 0.006 . 739 74 74 MET HG2 H 2.362 0.008 . 740 74 74 MET HG3 H 2.226 0.008 . 741 74 74 MET HE H 2.029 0.002 . 742 74 74 MET C C 174.666 0.014 . 743 74 74 MET CA C 55.879 0.092 . 744 74 74 MET CB C 35.126 0.105 . 745 74 74 MET CG C 31.142 0.058 . 746 74 74 MET CE C 17.305 0.041 . 747 74 74 MET N N 117.159 0.054 . 748 75 75 ASP H H 7.969 0.005 . 749 75 75 ASP HA H 4.752 0.018 . 750 75 75 ASP HB2 H 3.031 0.009 . 751 75 75 ASP HB3 H 2.731 0.005 . 752 75 75 ASP C C 176.315 0.023 . 753 75 75 ASP CA C 53.962 0.077 . 754 75 75 ASP CB C 42.872 0.199 . 755 75 75 ASP N N 119.582 0.060 . 756 76 76 ASP H H 8.302 0.005 . 757 76 76 ASP HA H 4.591 0.008 . 758 76 76 ASP HB2 H 2.726 0.016 . 759 76 76 ASP HB3 H 2.787 0.002 . 760 76 76 ASP C C 177.000 0.008 . 761 76 76 ASP CA C 55.546 0.037 . 762 76 76 ASP CB C 40.939 0.087 . 763 76 76 ASP N N 118.121 0.099 . 764 77 77 SER H H 8.625 0.008 . 765 77 77 SER HA H 4.475 0.004 . 766 77 77 SER HB2 H 3.907 0.008 . 767 77 77 SER HB3 H 3.907 0.008 . 768 77 77 SER C C 174.563 0.012 . 769 77 77 SER CA C 59.358 0.070 . 770 77 77 SER CB C 64.419 0.074 . 771 77 77 SER N N 116.293 0.060 . 772 78 78 GLY H H 7.889 0.010 . 773 78 78 GLY HA2 H 3.678 0.003 . 774 78 78 GLY HA3 H 4.347 0.002 . 775 78 78 GLY C C 173.583 0.000 . 776 78 78 GLY CA C 45.431 0.055 . 777 78 78 GLY N N 108.561 0.063 . 778 79 79 PHE H H 7.916 0.005 . 779 79 79 PHE HA H 4.503 0.008 . 780 79 79 PHE HB2 H 3.022 0.009 . 781 79 79 PHE HB3 H 2.739 0.011 . 782 79 79 PHE HD1 H 6.899 0.007 . 783 79 79 PHE HD2 H 6.899 0.007 . 784 79 79 PHE HE1 H 7.221 0.002 . 785 79 79 PHE HE2 H 7.221 0.002 . 786 79 79 PHE C C 174.638 0.000 . 787 79 79 PHE CA C 58.975 0.023 . 788 79 79 PHE CB C 39.705 0.085 . 789 79 79 PHE CD1 C 131.589 0.034 . 790 79 79 PHE CE1 C 131.602 0.039 . 791 79 79 PHE N N 121.294 0.017 . 792 80 80 PHE H H 7.625 0.005 . 793 80 80 PHE HB2 H 2.707 0.020 . 794 80 80 PHE HB3 H 2.363 0.013 . 795 80 80 PHE HD1 H 7.141 0.004 . 796 80 80 PHE HD2 H 7.141 0.004 . 797 80 80 PHE HE1 H 7.178 0.012 . 798 80 80 PHE HE2 H 7.178 0.012 . 799 80 80 PHE HZ H 7.224 0.008 . 800 80 80 PHE C C 174.464 0.000 . 801 80 80 PHE CA C 57.654 0.036 . 802 80 80 PHE CZ C 129.390 0.021 . 803 80 80 PHE N N 122.504 0.069 . 804 81 81 SER H H 7.913 0.006 . 805 81 81 SER HA H 4.457 0.009 . 806 81 81 SER HB2 H 4.270 0.000 . 807 81 81 SER HB3 H 4.613 0.000 . 808 81 81 SER C C 175.352 0.000 . 809 81 81 SER CA C 57.556 0.107 . 810 81 81 SER CB C 66.360 0.000 . 811 81 81 SER N N 115.490 0.074 . 812 82 82 ILE H H 8.985 0.008 . 813 82 82 ILE HA H 3.868 0.015 . 814 82 82 ILE HB H 1.996 0.005 . 815 82 82 ILE HG12 H 1.423 0.008 . 816 82 82 ILE HG13 H 1.273 0.007 . 817 82 82 ILE HG2 H 0.962 0.005 . 818 82 82 ILE HD1 H 0.670 0.006 . 819 82 82 ILE C C 176.974 0.004 . 820 82 82 ILE CA C 63.065 0.087 . 821 82 82 ILE CB C 38.155 0.069 . 822 82 82 ILE CG1 C 29.636 0.105 . 823 82 82 ILE CG2 C 18.074 0.076 . 824 82 82 ILE CD1 C 14.361 0.049 . 825 82 82 ILE N N 119.248 0.076 . 826 83 83 GLN H H 8.077 0.006 . 827 83 83 GLN HA H 3.974 0.009 . 828 83 83 GLN HB2 H 1.933 0.007 . 829 83 83 GLN HB3 H 2.074 0.008 . 830 83 83 GLN HG2 H 2.489 0.006 . 831 83 83 GLN HG3 H 2.406 0.010 . 832 83 83 GLN HE21 H 6.940 0.004 . 833 83 83 GLN HE22 H 7.522 0.002 . 834 83 83 GLN C C 178.605 0.025 . 835 83 83 GLN CA C 59.724 0.114 . 836 83 83 GLN CB C 28.217 0.168 . 837 83 83 GLN CG C 34.976 0.282 . 838 83 83 GLN N N 120.514 0.025 . 839 83 83 GLN NE2 N 112.400 0.000 . 840 84 84 VAL H H 7.497 0.006 . 841 84 84 VAL HA H 3.356 0.006 . 842 84 84 VAL HB H 2.302 0.011 . 843 84 84 VAL HG1 H 1.125 0.005 . 844 84 84 VAL HG2 H 0.635 0.006 . 845 84 84 VAL C C 176.589 0.004 . 846 84 84 VAL CA C 66.451 0.064 . 847 84 84 VAL CB C 31.502 0.042 . 848 84 84 VAL CG1 C 23.823 0.064 . 849 84 84 VAL CG2 C 21.288 0.056 . 850 84 84 VAL N N 121.116 0.064 . 851 85 85 ILE H H 7.060 0.007 . 852 85 85 ILE HA H 2.989 0.009 . 853 85 85 ILE HB H 1.318 0.010 . 854 85 85 ILE HG12 H 0.327 0.011 . 855 85 85 ILE HG13 H -0.281 0.012 . 856 85 85 ILE HG2 H 0.152 0.011 . 857 85 85 ILE HD1 H -0.447 0.005 . 858 85 85 ILE C C 177.493 0.006 . 859 85 85 ILE CA C 63.495 0.077 . 860 85 85 ILE CB C 36.096 0.064 . 861 85 85 ILE CG1 C 27.940 0.082 . 862 85 85 ILE CG2 C 17.444 0.052 . 863 85 85 ILE CD1 C 9.490 0.030 . 864 85 85 ILE N N 119.307 0.043 . 865 86 86 SER H H 8.721 0.008 . 866 86 86 SER HA H 3.845 0.014 . 867 86 86 SER HB2 H 3.806 0.011 . 868 86 86 SER HB3 H 3.806 0.011 . 869 86 86 SER C C 177.804 0.000 . 870 86 86 SER CA C 62.162 0.123 . 871 86 86 SER CB C 62.896 0.050 . 872 86 86 SER N N 113.235 0.067 . 873 87 87 ASN H H 8.037 0.008 . 874 87 87 ASN HA H 4.312 0.008 . 875 87 87 ASN HB2 H 2.874 0.009 . 876 87 87 ASN HB3 H 2.625 0.007 . 877 87 87 ASN HD21 H 7.470 0.007 . 878 87 87 ASN HD22 H 7.206 0.004 . 879 87 87 ASN C C 177.641 0.000 . 880 87 87 ASN CA C 57.033 0.062 . 881 87 87 ASN CB C 38.514 0.065 . 882 87 87 ASN N N 121.454 0.047 . 883 87 87 ASN ND2 N 111.796 0.043 . 884 88 88 ALA H H 8.359 0.008 . 885 88 88 ALA HA H 4.072 0.008 . 886 88 88 ALA HB H 1.017 0.006 . 887 88 88 ALA C C 179.174 0.003 . 888 88 88 ALA CA C 55.358 0.068 . 889 88 88 ALA CB C 18.078 0.050 . 890 88 88 ALA N N 123.822 0.060 . 891 89 89 LEU H H 7.614 0.006 . 892 89 89 LEU HA H 4.260 0.006 . 893 89 89 LEU HB2 H 1.682 0.004 . 894 89 89 LEU HB3 H 1.451 0.007 . 895 89 89 LEU HG H 1.591 0.005 . 896 89 89 LEU HD1 H 0.463 0.005 . 897 89 89 LEU HD2 H 0.576 0.004 . 898 89 89 LEU C C 179.517 0.024 . 899 89 89 LEU CA C 56.682 0.060 . 900 89 89 LEU CB C 41.658 0.187 . 901 89 89 LEU CG C 26.431 0.025 . 902 89 89 LEU CD1 C 26.410 0.034 . 903 89 89 LEU CD2 C 22.879 0.047 . 904 89 89 LEU N N 113.147 0.056 . 905 90 90 LYS H H 7.955 0.006 . 906 90 90 LYS HA H 4.219 0.008 . 907 90 90 LYS HB2 H 2.064 0.005 . 908 90 90 LYS HB3 H 1.971 0.009 . 909 90 90 LYS HG2 H 1.619 0.007 . 910 90 90 LYS HG3 H 1.529 0.006 . 911 90 90 LYS HD2 H 1.692 0.004 . 912 90 90 LYS HD3 H 1.692 0.004 . 913 90 90 LYS HE2 H 2.951 0.016 . 914 90 90 LYS HE3 H 2.951 0.016 . 915 90 90 LYS C C 180.490 0.013 . 916 90 90 LYS CA C 59.979 0.074 . 917 90 90 LYS CB C 32.398 0.089 . 918 90 90 LYS CG C 25.218 0.037 . 919 90 90 LYS CD C 29.476 0.112 . 920 90 90 LYS CE C 42.363 0.034 . 921 90 90 LYS N N 122.496 0.024 . 922 91 91 VAL H H 7.301 0.005 . 923 91 91 VAL HA H 3.743 0.014 . 924 91 91 VAL HB H 2.210 0.008 . 925 91 91 VAL HG1 H 1.005 0.007 . 926 91 91 VAL HG2 H 0.605 0.005 . 927 91 91 VAL C C 176.483 0.032 . 928 91 91 VAL CA C 65.213 0.055 . 929 91 91 VAL CB C 31.914 0.053 . 930 91 91 VAL CG1 C 22.019 0.056 . 931 91 91 VAL CG2 C 20.912 0.096 . 932 91 91 VAL N N 117.826 0.086 . 933 92 92 TRP H H 7.275 0.006 . 934 92 92 TRP HA H 4.244 0.005 . 935 92 92 TRP HB2 H 3.628 0.011 . 936 92 92 TRP HB3 H 2.931 0.012 . 937 92 92 TRP HD1 H 7.388 0.010 . 938 92 92 TRP HE1 H 9.669 0.005 . 939 92 92 TRP HE3 H 7.572 0.010 . 940 92 92 TRP HZ2 H 6.795 0.009 . 941 92 92 TRP HZ3 H 6.878 0.008 . 942 92 92 TRP HH2 H 6.456 0.006 . 943 92 92 TRP C C 175.538 0.018 . 944 92 92 TRP CA C 57.809 0.064 . 945 92 92 TRP CB C 29.719 0.135 . 946 92 92 TRP CD1 C 125.747 0.017 . 947 92 92 TRP CE3 C 119.792 0.013 . 948 92 92 TRP CZ2 C 114.204 0.002 . 949 92 92 TRP CZ3 C 121.404 0.043 . 950 92 92 TRP CH2 C 124.412 0.006 . 951 92 92 TRP N N 119.286 0.078 . 952 92 92 TRP NE1 N 127.724 0.027 . 953 93 93 GLY H H 8.059 0.006 . 954 93 93 GLY HA2 H 3.855 0.000 . 955 93 93 GLY HA3 H 4.056 0.000 . 956 93 93 GLY C C 174.110 0.000 . 957 93 93 GLY CA C 46.543 0.062 . 958 93 93 GLY N N 108.513 0.050 . 959 94 94 LEU H H 7.251 0.007 . 960 94 94 LEU HA H 5.146 0.006 . 961 94 94 LEU HB2 H 1.613 0.004 . 962 94 94 LEU HB3 H 1.071 0.009 . 963 94 94 LEU HG H 1.576 0.010 . 964 94 94 LEU HD1 H 0.511 0.007 . 965 94 94 LEU HD2 H 0.712 0.009 . 966 94 94 LEU C C 175.833 0.004 . 967 94 94 LEU CA C 53.232 0.066 . 968 94 94 LEU CB C 43.974 0.099 . 969 94 94 LEU CG C 26.954 0.104 . 970 94 94 LEU CD1 C 22.634 0.090 . 971 94 94 LEU CD2 C 27.047 0.108 . 972 94 94 LEU N N 118.797 0.016 . 973 95 95 GLU H H 8.716 0.009 . 974 95 95 GLU HA H 4.503 0.009 . 975 95 95 GLU HB2 H 1.785 0.008 . 976 95 95 GLU HB3 H 1.936 0.004 . 977 95 95 GLU HG2 H 2.108 0.005 . 978 95 95 GLU HG3 H 2.108 0.005 . 979 95 95 GLU C C 173.779 0.020 . 980 95 95 GLU CA C 54.662 0.058 . 981 95 95 GLU CB C 34.159 0.067 . 982 95 95 GLU CG C 36.403 0.062 . 983 95 95 GLU N N 121.209 0.039 . 984 96 96 LEU H H 8.606 0.008 . 985 96 96 LEU HA H 5.225 0.011 . 986 96 96 LEU HB2 H 1.624 0.007 . 987 96 96 LEU HB3 H 1.260 0.007 . 988 96 96 LEU HG H 1.429 0.009 . 989 96 96 LEU HD1 H 0.390 0.006 . 990 96 96 LEU HD2 H 0.514 0.004 . 991 96 96 LEU C C 176.833 0.019 . 992 96 96 LEU CA C 53.896 0.084 . 993 96 96 LEU CB C 43.873 0.051 . 994 96 96 LEU CG C 27.232 0.012 . 995 96 96 LEU CD1 C 25.131 0.048 . 996 96 96 LEU CD2 C 24.923 0.055 . 997 96 96 LEU N N 121.651 0.048 . 998 97 97 ILE H H 8.982 0.014 . 999 97 97 ILE HA H 4.528 0.012 . 1000 97 97 ILE HB H 1.662 0.008 . 1001 97 97 ILE HG12 H 1.439 0.009 . 1002 97 97 ILE HG13 H 1.184 0.012 . 1003 97 97 ILE HG2 H 0.882 0.003 . 1004 97 97 ILE HD1 H 0.830 0.007 . 1005 97 97 ILE C C 175.633 0.002 . 1006 97 97 ILE CA C 59.664 0.114 . 1007 97 97 ILE CB C 41.458 0.085 . 1008 97 97 ILE CG1 C 27.653 0.029 . 1009 97 97 ILE CG2 C 17.519 0.025 . 1010 97 97 ILE CD1 C 13.708 0.046 . 1011 97 97 ILE N N 123.563 0.061 . 1012 98 98 LEU H H 9.156 0.005 . 1013 98 98 LEU HA H 4.235 0.018 . 1014 98 98 LEU HB2 H 1.776 0.011 . 1015 98 98 LEU HB3 H 1.641 0.000 . 1016 98 98 LEU HG H 1.645 0.018 . 1017 98 98 LEU HD1 H 0.781 0.005 . 1018 98 98 LEU HD2 H 0.817 0.012 . 1019 98 98 LEU C C 177.702 0.024 . 1020 98 98 LEU CA C 56.989 0.068 . 1021 98 98 LEU CB C 42.239 0.099 . 1022 98 98 LEU CG C 27.708 0.108 . 1023 98 98 LEU CD1 C 21.169 0.000 . 1024 98 98 LEU CD2 C 23.877 0.028 . 1025 98 98 LEU N N 129.830 0.053 . 1026 99 99 PHE H H 9.035 0.012 . 1027 99 99 PHE HA H 3.956 0.010 . 1028 99 99 PHE HB2 H 2.877 0.006 . 1029 99 99 PHE HB3 H 2.796 0.008 . 1030 99 99 PHE HD1 H 7.013 0.007 . 1031 99 99 PHE HD2 H 7.013 0.007 . 1032 99 99 PHE HE1 H 7.343 0.003 . 1033 99 99 PHE HE2 H 7.343 0.003 . 1034 99 99 PHE HZ H 7.154 0.000 . 1035 99 99 PHE C C 174.714 0.000 . 1036 99 99 PHE CA C 59.745 0.066 . 1037 99 99 PHE CB C 41.000 0.000 . 1038 99 99 PHE CD1 C 131.482 0.020 . 1039 99 99 PHE CE1 C 131.521 0.025 . 1040 99 99 PHE N N 130.004 0.074 . 1041 100 100 ASN HA H 4.572 0.004 . 1042 100 100 ASN HB2 H 2.750 0.014 . 1043 100 100 ASN HB3 H 2.857 0.009 . 1044 100 100 ASN HD21 H 7.497 0.004 . 1045 100 100 ASN HD22 H 6.798 0.004 . 1046 100 100 ASN C C 175.103 0.006 . 1047 100 100 ASN CA C 52.463 0.045 . 1048 100 100 ASN CB C 37.555 0.050 . 1049 100 100 ASN ND2 N 111.598 0.007 . 1050 101 101 SER H H 7.726 0.008 . 1051 101 101 SER HA H 4.710 0.001 . 1052 101 101 SER HB2 H 4.427 0.005 . 1053 101 101 SER HB3 H 4.126 0.002 . 1054 101 101 SER CA C 56.855 0.083 . 1055 101 101 SER CB C 64.095 0.058 . 1056 101 101 SER N N 116.087 0.046 . 1057 102 102 PRO HA H 4.279 0.016 . 1058 102 102 PRO HB2 H 2.389 0.004 . 1059 102 102 PRO HB3 H 1.932 0.000 . 1060 102 102 PRO HG2 H 2.237 0.000 . 1061 102 102 PRO HG3 H 2.074 0.002 . 1062 102 102 PRO HD2 H 3.931 0.031 . 1063 102 102 PRO HD3 H 3.931 0.031 . 1064 102 102 PRO C C 179.142 0.004 . 1065 102 102 PRO CA C 65.689 0.090 . 1066 102 102 PRO CB C 32.164 0.024 . 1067 102 102 PRO CG C 28.256 0.070 . 1068 103 103 GLU H H 8.928 0.008 . 1069 103 103 GLU HA H 3.934 0.011 . 1070 103 103 GLU HB2 H 1.974 0.003 . 1071 103 103 GLU HB3 H 2.080 0.010 . 1072 103 103 GLU HG2 H 2.476 0.012 . 1073 103 103 GLU HG3 H 2.278 0.008 . 1074 103 103 GLU C C 177.795 0.025 . 1075 103 103 GLU CA C 60.028 0.086 . 1076 103 103 GLU CB C 28.809 0.179 . 1077 103 103 GLU CG C 36.870 0.057 . 1078 103 103 GLU N N 115.913 0.068 . 1079 104 104 TYR H H 7.505 0.006 . 1080 104 104 TYR HA H 4.293 0.007 . 1081 104 104 TYR HB2 H 3.060 0.004 . 1082 104 104 TYR HB3 H 2.943 0.002 . 1083 104 104 TYR HD1 H 7.150 0.000 . 1084 104 104 TYR HD2 H 7.150 0.000 . 1085 104 104 TYR HE1 H 6.793 0.006 . 1086 104 104 TYR HE2 H 6.793 0.006 . 1087 104 104 TYR C C 179.204 0.015 . 1088 104 104 TYR CA C 61.175 0.023 . 1089 104 104 TYR CB C 39.400 0.000 . 1090 104 104 TYR CE1 C 118.580 0.000 . 1091 104 104 TYR N N 119.181 0.060 . 1092 105 105 GLN H H 8.642 0.003 . 1093 105 105 GLN HA H 3.724 0.011 . 1094 105 105 GLN HB2 H 2.030 0.022 . 1095 105 105 GLN HB3 H 1.952 0.012 . 1096 105 105 GLN HG2 H 2.469 0.005 . 1097 105 105 GLN HG3 H 2.389 0.004 . 1098 105 105 GLN HE21 H 6.320 0.005 . 1099 105 105 GLN HE22 H 7.312 0.008 . 1100 105 105 GLN C C 179.329 0.012 . 1101 105 105 GLN CA C 59.064 0.097 . 1102 105 105 GLN CB C 28.613 0.108 . 1103 105 105 GLN CG C 34.281 0.000 . 1104 105 105 GLN N N 119.409 0.060 . 1105 105 105 GLN NE2 N 112.518 0.066 . 1106 106 106 ARG H H 7.904 0.007 . 1107 106 106 ARG HA H 4.060 0.015 . 1108 106 106 ARG HB2 H 1.855 0.000 . 1109 106 106 ARG HG2 H 1.680 0.000 . 1110 106 106 ARG HD2 H 3.157 0.004 . 1111 106 106 ARG HD3 H 3.157 0.004 . 1112 106 106 ARG C C 176.934 0.003 . 1113 106 106 ARG CA C 58.490 0.072 . 1114 106 106 ARG CB C 30.248 0.169 . 1115 106 106 ARG CG C 27.535 0.008 . 1116 106 106 ARG CD C 43.679 0.008 . 1117 106 106 ARG N N 116.913 0.080 . 1118 107 107 LEU H H 7.289 0.007 . 1119 107 107 LEU HA H 3.980 0.011 . 1120 107 107 LEU HB2 H 1.320 0.007 . 1121 107 107 LEU HB3 H 1.622 0.003 . 1122 107 107 LEU HG H 1.738 0.004 . 1123 107 107 LEU HD1 H 0.787 0.003 . 1124 107 107 LEU HD2 H 0.914 0.005 . 1125 107 107 LEU C C 176.832 0.011 . 1126 107 107 LEU CA C 56.055 0.041 . 1127 107 107 LEU CB C 41.782 0.060 . 1128 107 107 LEU CG C 26.516 0.026 . 1129 107 107 LEU CD1 C 21.899 0.045 . 1130 107 107 LEU CD2 C 25.991 0.069 . 1131 107 107 LEU N N 117.788 0.069 . 1132 108 108 ARG H H 7.468 0.007 . 1133 108 108 ARG HA H 3.717 0.008 . 1134 108 108 ARG HB2 H 1.826 0.003 . 1135 108 108 ARG HB3 H 1.826 0.003 . 1136 108 108 ARG HG2 H 1.508 0.003 . 1137 108 108 ARG HG3 H 1.552 0.006 . 1138 108 108 ARG HD2 H 3.156 0.007 . 1139 108 108 ARG HD3 H 3.156 0.007 . 1140 108 108 ARG C C 175.261 0.007 . 1141 108 108 ARG CA C 56.702 0.100 . 1142 108 108 ARG CB C 27.432 0.033 . 1143 108 108 ARG CG C 27.277 0.029 . 1144 108 108 ARG CD C 43.686 0.020 . 1145 108 108 ARG N N 114.114 0.036 . 1146 109 109 ILE H H 8.247 0.007 . 1147 109 109 ILE HA H 3.898 0.009 . 1148 109 109 ILE HB H 1.463 0.011 . 1149 109 109 ILE HG12 H 1.295 0.009 . 1150 109 109 ILE HG13 H 0.906 0.004 . 1151 109 109 ILE HG2 H 0.880 0.005 . 1152 109 109 ILE HD1 H 0.763 0.005 . 1153 109 109 ILE C C 177.267 0.026 . 1154 109 109 ILE CA C 60.845 0.054 . 1155 109 109 ILE CB C 39.278 0.111 . 1156 109 109 ILE CG1 C 28.126 0.060 . 1157 109 109 ILE CG2 C 17.100 0.067 . 1158 109 109 ILE CD1 C 13.419 0.076 . 1159 109 109 ILE N N 121.471 0.049 . 1160 110 110 ASP H H 8.980 0.006 . 1161 110 110 ASP HA H 4.771 0.008 . 1162 110 110 ASP HB2 H 2.882 0.016 . 1163 110 110 ASP HB3 H 2.565 0.006 . 1164 110 110 ASP CA C 52.265 0.016 . 1165 110 110 ASP CB C 42.135 0.015 . 1166 110 110 ASP N N 132.572 0.041 . 1167 111 111 PRO HA H 4.521 0.007 . 1168 111 111 PRO HB2 H 1.573 0.008 . 1169 111 111 PRO HB3 H 2.242 0.014 . 1170 111 111 PRO HG2 H 1.907 0.006 . 1171 111 111 PRO HG3 H 2.208 0.021 . 1172 111 111 PRO HD2 H 4.044 0.012 . 1173 111 111 PRO HD3 H 4.120 0.008 . 1174 111 111 PRO C C 176.718 0.004 . 1175 111 111 PRO CA C 66.132 0.073 . 1176 111 111 PRO CB C 32.453 0.087 . 1177 111 111 PRO CG C 27.480 0.057 . 1178 111 111 PRO CD C 51.215 0.045 . 1179 112 112 ILE H H 7.698 0.008 . 1180 112 112 ILE HA H 4.047 0.011 . 1181 112 112 ILE HB H 2.044 0.005 . 1182 112 112 ILE HG12 H 1.329 0.018 . 1183 112 112 ILE HG13 H 1.285 0.011 . 1184 112 112 ILE HG2 H 1.003 0.006 . 1185 112 112 ILE HD1 H 0.934 0.012 . 1186 112 112 ILE C C 177.385 0.023 . 1187 112 112 ILE CA C 63.731 0.096 . 1188 112 112 ILE CB C 38.652 0.059 . 1189 112 112 ILE CG1 C 26.659 0.064 . 1190 112 112 ILE CG2 C 18.584 0.070 . 1191 112 112 ILE CD1 C 14.838 0.056 . 1192 112 112 ILE N N 109.524 0.051 . 1193 113 113 ASN H H 8.655 0.007 . 1194 113 113 ASN HA H 4.980 0.008 . 1195 113 113 ASN HB2 H 3.151 0.011 . 1196 113 113 ASN HB3 H 2.905 0.013 . 1197 113 113 ASN HD21 H 7.119 0.004 . 1198 113 113 ASN HD22 H 7.898 0.002 . 1199 113 113 ASN C C 177.322 0.023 . 1200 113 113 ASN CA C 53.808 0.068 . 1201 113 113 ASN CB C 39.279 0.097 . 1202 113 113 ASN N N 117.164 0.053 . 1203 113 113 ASN ND2 N 113.421 0.051 . 1204 114 114 GLU H H 7.668 0.007 . 1205 114 114 GLU HA H 4.869 0.029 . 1206 114 114 GLU C C 173.571 0.018 . 1207 114 114 GLU CA C 56.611 0.039 . 1208 114 114 GLU CB C 29.651 0.000 . 1209 114 114 GLU N N 120.738 0.050 . 1210 115 115 ARG H H 8.709 0.007 . 1211 115 115 ARG HB2 H 1.858 0.000 . 1212 115 115 ARG HD2 H 3.244 0.000 . 1213 115 115 ARG HD3 H 3.244 0.000 . 1214 115 115 ARG HE H 7.376 0.000 . 1215 115 115 ARG C C 177.016 0.000 . 1216 115 115 ARG CA C 57.510 0.074 . 1217 115 115 ARG N N 113.278 0.116 . 1218 115 115 ARG NE N 119.723 0.000 . 1219 116 116 SER H H 7.918 0.005 . 1220 116 116 SER HA H 5.198 0.006 . 1221 116 116 SER HB2 H 3.751 0.011 . 1222 116 116 SER HB3 H 3.648 0.011 . 1223 116 116 SER C C 171.091 0.016 . 1224 116 116 SER CA C 59.262 0.098 . 1225 116 116 SER CB C 65.944 0.096 . 1226 116 116 SER N N 109.993 0.066 . 1227 117 117 PHE H H 9.371 0.014 . 1228 117 117 PHE HA H 5.616 0.008 . 1229 117 117 PHE HB2 H 2.822 0.010 . 1230 117 117 PHE HB3 H 2.437 0.008 . 1231 117 117 PHE HD1 H 6.812 0.013 . 1232 117 117 PHE HD2 H 6.812 0.013 . 1233 117 117 PHE HE1 H 6.850 0.009 . 1234 117 117 PHE HE2 H 6.850 0.009 . 1235 117 117 PHE C C 175.546 0.032 . 1236 117 117 PHE CA C 56.476 0.059 . 1237 117 117 PHE CB C 43.108 0.402 . 1238 117 117 PHE CE1 C 131.241 0.017 . 1239 117 117 PHE N N 119.336 0.057 . 1240 118 118 ILE H H 9.451 0.007 . 1241 118 118 ILE HA H 5.120 0.014 . 1242 118 118 ILE HB H 1.673 0.014 . 1243 118 118 ILE HG12 H 1.600 0.012 . 1244 118 118 ILE HG13 H 1.600 0.012 . 1245 118 118 ILE HG2 H 1.038 0.009 . 1246 118 118 ILE HD1 H 0.590 0.008 . 1247 118 118 ILE C C 174.584 0.009 . 1248 118 118 ILE CA C 60.602 0.072 . 1249 118 118 ILE CB C 42.132 0.069 . 1250 118 118 ILE CG1 C 27.160 0.097 . 1251 118 118 ILE CG2 C 18.851 0.077 . 1252 118 118 ILE CD1 C 14.575 0.053 . 1253 118 118 ILE N N 119.072 0.049 . 1254 119 119 CYS H H 9.003 0.007 . 1255 119 119 CYS HA H 5.291 0.006 . 1256 119 119 CYS HB2 H 2.054 0.010 . 1257 119 119 CYS HB3 H 1.652 0.007 . 1258 119 119 CYS C C 173.928 0.007 . 1259 119 119 CYS CA C 56.177 0.086 . 1260 119 119 CYS CB C 30.685 0.087 . 1261 119 119 CYS N N 123.289 0.058 . 1262 120 120 ASN H H 9.128 0.007 . 1263 120 120 ASN HA H 5.480 0.013 . 1264 120 120 ASN HB2 H 1.650 0.011 . 1265 120 120 ASN HB3 H 1.058 0.012 . 1266 120 120 ASN HD21 H 6.439 0.002 . 1267 120 120 ASN HD22 H 4.619 0.000 . 1268 120 120 ASN C C 172.600 0.011 . 1269 120 120 ASN CA C 51.882 0.069 . 1270 120 120 ASN CB C 44.446 0.292 . 1271 120 120 ASN N N 120.499 0.031 . 1272 120 120 ASN ND2 N 109.300 0.000 . 1273 121 121 TYR H H 8.285 0.009 . 1274 121 121 TYR HA H 4.202 0.006 . 1275 121 121 TYR HB2 H 1.912 0.002 . 1276 121 121 TYR HB3 H 1.087 0.017 . 1277 121 121 TYR HD1 H 6.757 0.004 . 1278 121 121 TYR HD2 H 6.757 0.004 . 1279 121 121 TYR HE1 H 6.768 0.010 . 1280 121 121 TYR HE2 H 6.768 0.010 . 1281 121 121 TYR C C 173.888 0.003 . 1282 121 121 TYR CA C 57.922 0.027 . 1283 121 121 TYR CB C 38.636 0.101 . 1284 121 121 TYR CD1 C 132.571 0.065 . 1285 121 121 TYR CE1 C 117.987 0.015 . 1286 121 121 TYR N N 128.129 0.051 . 1287 122 122 LYS H H 8.876 0.012 . 1288 122 122 LYS HA H 3.422 0.009 . 1289 122 122 LYS HB2 H 1.405 0.014 . 1290 122 122 LYS HB3 H 1.362 0.003 . 1291 122 122 LYS HG2 H 0.351 0.010 . 1292 122 122 LYS HG3 H 0.336 0.003 . 1293 122 122 LYS HD2 H 0.681 0.008 . 1294 122 122 LYS HD3 H 0.692 0.004 . 1295 122 122 LYS HE2 H 2.778 0.013 . 1296 122 122 LYS HE3 H 2.726 0.006 . 1297 122 122 LYS C C 175.665 0.021 . 1298 122 122 LYS CA C 58.943 0.127 . 1299 122 122 LYS CB C 29.314 0.095 . 1300 122 122 LYS CG C 24.911 0.054 . 1301 122 122 LYS CD C 24.878 0.031 . 1302 122 122 LYS CE C 42.204 0.022 . 1303 122 122 LYS N N 126.561 0.057 . 1304 123 123 GLU H H 9.204 0.012 . 1305 123 123 GLU HA H 4.386 0.006 . 1306 123 123 GLU HB2 H 2.154 0.004 . 1307 123 123 GLU HB3 H 2.154 0.004 . 1308 123 123 GLU HG2 H 2.311 0.003 . 1309 123 123 GLU HG3 H 2.311 0.003 . 1310 123 123 GLU C C 175.272 0.007 . 1311 123 123 GLU CA C 58.050 0.028 . 1312 123 123 GLU N N 123.688 0.046 . 1313 124 124 HIS H H 8.528 0.006 . 1314 124 124 HIS HA H 5.189 0.009 . 1315 124 124 HIS HB2 H 3.472 0.009 . 1316 124 124 HIS HB3 H 3.166 0.005 . 1317 124 124 HIS HD2 H 7.508 0.005 . 1318 124 124 HIS C C 174.808 0.016 . 1319 124 124 HIS CA C 56.998 0.090 . 1320 124 124 HIS CB C 33.327 0.033 . 1321 124 124 HIS CD2 C 117.198 0.002 . 1322 124 124 HIS N N 121.552 0.040 . 1323 125 125 TRP H H 7.573 0.008 . 1324 125 125 TRP HA H 5.691 0.015 . 1325 125 125 TRP HB2 H 3.606 0.012 . 1326 125 125 TRP HB3 H 2.795 0.012 . 1327 125 125 TRP HD1 H 7.381 0.016 . 1328 125 125 TRP HE1 H 10.309 0.005 . 1329 125 125 TRP HE3 H 7.363 0.000 . 1330 125 125 TRP HZ2 H 7.198 0.017 . 1331 125 125 TRP HZ3 H 6.571 0.000 . 1332 125 125 TRP HH2 H 6.704 0.011 . 1333 125 125 TRP C C 176.084 0.011 . 1334 125 125 TRP CA C 56.109 0.109 . 1335 125 125 TRP CB C 32.497 0.088 . 1336 125 125 TRP CD1 C 127.004 0.049 . 1337 125 125 TRP CH2 C 123.866 0.000 . 1338 125 125 TRP N N 129.860 0.044 . 1339 125 125 TRP NE1 N 130.997 0.060 . 1340 126 126 PHE H H 9.278 0.009 . 1341 126 126 PHE HA H 4.963 0.010 . 1342 126 126 PHE HB2 H 3.312 0.003 . 1343 126 126 PHE C C 171.728 0.042 . 1344 126 126 PHE CA C 57.546 0.079 . 1345 126 126 PHE CB C 43.328 0.076 . 1346 126 126 PHE N N 116.375 0.032 . 1347 127 127 THR H H 8.818 0.013 . 1348 127 127 THR HA H 5.088 0.012 . 1349 127 127 THR HB H 4.100 0.011 . 1350 127 127 THR HG2 H 1.255 0.008 . 1351 127 127 THR C C 172.425 0.013 . 1352 127 127 THR CA C 62.116 0.122 . 1353 127 127 THR CB C 71.612 0.086 . 1354 127 127 THR CG2 C 23.538 0.069 . 1355 127 127 THR N N 119.317 0.089 . 1356 128 128 VAL H H 8.776 0.012 . 1357 128 128 VAL HA H 5.142 0.008 . 1358 128 128 VAL HB H 2.118 0.008 . 1359 128 128 VAL HG1 H 1.026 0.014 . 1360 128 128 VAL HG2 H 1.044 0.011 . 1361 128 128 VAL C C 175.093 0.000 . 1362 128 128 VAL CA C 61.724 0.063 . 1363 128 128 VAL CB C 35.002 0.031 . 1364 128 128 VAL CG1 C 22.649 0.194 . 1365 128 128 VAL CG2 C 21.532 0.092 . 1366 128 128 VAL N N 128.429 0.073 . 1367 129 129 ARG H H 9.409 0.008 . 1368 129 129 ARG HA H 5.412 0.000 . 1369 129 129 ARG C C 172.447 0.000 . 1370 129 129 ARG CA C 55.400 0.000 . 1371 129 129 ARG N N 124.280 0.081 . 1372 130 130 LYS HA H 4.343 0.022 . 1373 130 130 LYS HB2 H 1.106 0.006 . 1374 130 130 LYS HB3 H -0.579 0.012 . 1375 130 130 LYS HG2 H -0.116 0.009 . 1376 130 130 LYS HG3 H 0.622 0.010 . 1377 130 130 LYS HD2 H 1.308 0.029 . 1378 130 130 LYS HD3 H 1.407 0.029 . 1379 130 130 LYS HE2 H 2.810 0.007 . 1380 130 130 LYS HE3 H 2.715 0.007 . 1381 130 130 LYS C C 177.131 0.043 . 1382 130 130 LYS CA C 55.300 0.080 . 1383 130 130 LYS CB C 32.254 0.072 . 1384 130 130 LYS CG C 24.503 0.075 . 1385 130 130 LYS CD C 29.952 0.039 . 1386 130 130 LYS CE C 42.095 0.015 . 1387 131 131 LEU H H 9.379 0.009 . 1388 131 131 LEU HA H 4.634 0.006 . 1389 131 131 LEU HB2 H 1.882 0.008 . 1390 131 131 LEU HB3 H 1.033 0.005 . 1391 131 131 LEU HG H 1.408 0.002 . 1392 131 131 LEU HD1 H 0.801 0.004 . 1393 131 131 LEU HD2 H 0.625 0.004 . 1394 131 131 LEU C C 175.738 0.005 . 1395 131 131 LEU CA C 54.280 0.067 . 1396 131 131 LEU CB C 44.067 0.061 . 1397 131 131 LEU CD2 C 26.747 0.062 . 1398 131 131 LEU N N 132.838 0.080 . 1399 132 132 GLY H H 9.526 0.005 . 1400 132 132 GLY HA2 H 3.517 0.005 . 1401 132 132 GLY HA3 H 3.896 0.006 . 1402 132 132 GLY C C 174.555 0.000 . 1403 132 132 GLY CA C 47.422 0.115 . 1404 132 132 GLY N N 113.387 0.066 . 1405 133 133 LYS H H 8.652 0.006 . 1406 133 133 LYS CA C 55.935 0.002 . 1407 133 133 LYS N N 124.999 0.107 . 1408 134 134 GLN H H 7.886 0.004 . 1409 134 134 GLN HA H 4.712 0.006 . 1410 134 134 GLN HB2 H 1.762 0.000 . 1411 134 134 GLN HB3 H 2.056 0.004 . 1412 134 134 GLN HG2 H 2.071 0.000 . 1413 134 134 GLN HG3 H 2.260 0.003 . 1414 134 134 GLN HE21 H 7.802 0.006 . 1415 134 134 GLN HE22 H 7.370 0.000 . 1416 134 134 GLN CA C 55.209 0.102 . 1417 134 134 GLN N N 120.174 0.026 . 1418 134 134 GLN NE2 N 113.597 0.033 . 1419 135 135 TRP HA H 4.419 0.000 . 1420 135 135 TRP HB2 H 2.653 0.005 . 1421 135 135 TRP HB3 H 3.439 0.005 . 1422 135 135 TRP HD1 H 7.544 0.012 . 1423 135 135 TRP HE1 H 9.533 0.008 . 1424 135 135 TRP HE3 H 7.120 0.011 . 1425 135 135 TRP HZ2 H 7.491 0.000 . 1426 135 135 TRP CB C 31.016 0.054 . 1427 135 135 TRP CD1 C 126.090 0.166 . 1428 135 135 TRP CE3 C 118.507 0.000 . 1429 135 135 TRP NE1 N 126.733 0.038 . 1430 136 136 PHE H H 8.932 0.008 . 1431 136 136 PHE HA H 5.198 0.012 . 1432 136 136 PHE HB2 H 2.776 0.003 . 1433 136 136 PHE HB3 H 2.576 0.013 . 1434 136 136 PHE HD1 H 6.949 0.006 . 1435 136 136 PHE HD2 H 6.949 0.006 . 1436 136 136 PHE HE1 H 7.231 0.011 . 1437 136 136 PHE HE2 H 7.231 0.011 . 1438 136 136 PHE C C 174.816 0.001 . 1439 136 136 PHE CA C 57.397 0.098 . 1440 136 136 PHE CB C 43.438 0.105 . 1441 136 136 PHE N N 116.299 0.001 . 1442 137 137 ASN H H 9.737 0.008 . 1443 137 137 ASN HA H 4.888 0.008 . 1444 137 137 ASN HB2 H 3.222 0.015 . 1445 137 137 ASN HB3 H 2.602 0.008 . 1446 137 137 ASN HD21 H 7.454 0.005 . 1447 137 137 ASN HD22 H 7.812 0.006 . 1448 137 137 ASN C C 175.467 0.067 . 1449 137 137 ASN CA C 53.321 0.041 . 1450 137 137 ASN CB C 38.680 0.063 . 1451 137 137 ASN N N 120.641 0.063 . 1452 137 137 ASN ND2 N 109.036 0.127 . 1453 138 138 LEU H H 8.657 0.007 . 1454 138 138 LEU HA H 4.727 0.007 . 1455 138 138 LEU HB2 H 1.981 0.008 . 1456 138 138 LEU HB3 H 1.772 0.022 . 1457 138 138 LEU HG H 1.783 0.015 . 1458 138 138 LEU HD1 H 1.001 0.004 . 1459 138 138 LEU HD2 H 0.798 0.005 . 1460 138 138 LEU C C 178.838 0.004 . 1461 138 138 LEU CA C 52.856 0.169 . 1462 138 138 LEU CB C 41.633 0.023 . 1463 138 138 LEU CG C 26.864 0.000 . 1464 138 138 LEU CD1 C 28.493 0.048 . 1465 138 138 LEU CD2 C 24.036 0.004 . 1466 138 138 LEU N N 122.523 0.052 . 1467 139 139 ASN H H 8.827 0.004 . 1468 139 139 ASN HA H 4.757 0.007 . 1469 139 139 ASN HB2 H 3.207 0.006 . 1470 139 139 ASN HB3 H 2.697 0.015 . 1471 139 139 ASN C C 178.133 0.000 . 1472 139 139 ASN CA C 56.049 0.016 . 1473 139 139 ASN CB C 37.355 0.022 . 1474 139 139 ASN N N 121.970 0.024 . 1475 140 140 SER H H 8.421 0.008 . 1476 140 140 SER C C 174.686 0.000 . 1477 140 140 SER CA C 60.451 0.000 . 1478 140 140 SER N N 124.483 0.053 . 1479 141 141 LEU H H 7.689 0.006 . 1480 141 141 LEU HA H 4.431 0.007 . 1481 141 141 LEU HB2 H 1.578 0.008 . 1482 141 141 LEU HB3 H 1.366 0.006 . 1483 141 141 LEU HG H 1.612 0.010 . 1484 141 141 LEU HD1 H 0.571 0.005 . 1485 141 141 LEU HD2 H 0.802 0.007 . 1486 141 141 LEU C C 177.450 0.030 . 1487 141 141 LEU CA C 55.529 0.046 . 1488 141 141 LEU CB C 42.639 0.058 . 1489 141 141 LEU CD1 C 25.261 0.041 . 1490 141 141 LEU CD2 C 23.109 0.001 . 1491 141 141 LEU N N 121.484 0.025 . 1492 142 142 LEU H H 7.118 0.006 . 1493 142 142 LEU HA H 4.525 0.009 . 1494 142 142 LEU HB2 H 1.863 0.006 . 1495 142 142 LEU HB3 H 1.825 0.008 . 1496 142 142 LEU HG H 1.401 0.013 . 1497 142 142 LEU HD1 H 0.834 0.007 . 1498 142 142 LEU HD2 H 0.884 0.006 . 1499 142 142 LEU C C 177.629 0.035 . 1500 142 142 LEU CA C 54.072 0.038 . 1501 142 142 LEU CB C 44.017 0.047 . 1502 142 142 LEU CD1 C 21.789 0.064 . 1503 142 142 LEU CD2 C 25.159 0.054 . 1504 142 142 LEU N N 118.098 0.053 . 1505 143 143 THR H H 8.555 0.004 . 1506 143 143 THR HA H 4.030 0.006 . 1507 143 143 THR HB H 4.321 0.008 . 1508 143 143 THR HG2 H 1.266 0.008 . 1509 143 143 THR C C 174.817 0.057 . 1510 143 143 THR CA C 63.964 0.078 . 1511 143 143 THR CB C 69.130 0.040 . 1512 143 143 THR CG2 C 22.315 0.037 . 1513 143 143 THR N N 110.273 0.049 . 1514 144 144 GLY H H 7.307 0.005 . 1515 144 144 GLY HA2 H 3.986 0.008 . 1516 144 144 GLY HA3 H 3.762 0.006 . 1517 144 144 GLY CA C 44.588 0.087 . 1518 144 144 GLY N N 107.712 0.048 . 1519 145 145 PRO HA H 4.120 0.000 . 1520 145 145 PRO HB2 H 1.744 0.000 . 1521 145 145 PRO HB3 H 1.693 0.006 . 1522 145 145 PRO HG2 H 1.816 0.006 . 1523 145 145 PRO HG3 H 1.342 0.012 . 1524 145 145 PRO HD2 H 3.242 0.012 . 1525 145 145 PRO HD3 H 3.242 0.012 . 1526 145 145 PRO CB C 33.060 0.000 . 1527 145 145 PRO CG C 27.934 0.041 . 1528 145 145 PRO CD C 49.036 0.066 . 1529 146 146 GLU HA H 4.812 0.006 . 1530 146 146 GLU HB2 H 2.023 0.004 . 1531 146 146 GLU HB3 H 1.881 0.004 . 1532 146 146 GLU HG2 H 2.366 0.004 . 1533 146 146 GLU HG3 H 2.135 0.017 . 1534 146 146 GLU C C 175.106 0.001 . 1535 146 146 GLU CA C 54.735 0.043 . 1536 146 146 GLU CB C 33.334 0.092 . 1537 146 146 GLU CG C 36.654 0.155 . 1538 147 147 LEU H H 8.668 0.009 . 1539 147 147 LEU HA H 4.017 0.016 . 1540 147 147 LEU HB2 H 1.327 0.007 . 1541 147 147 LEU HB3 H 1.532 0.003 . 1542 147 147 LEU HG H 1.194 0.003 . 1543 147 147 LEU HD1 H 0.686 0.005 . 1544 147 147 LEU HD2 H 0.616 0.006 . 1545 147 147 LEU C C 176.390 0.006 . 1546 147 147 LEU CA C 56.059 0.046 . 1547 147 147 LEU CB C 43.239 0.113 . 1548 147 147 LEU CG C 27.652 0.029 . 1549 147 147 LEU CD1 C 26.220 0.058 . 1550 147 147 LEU CD2 C 24.497 0.034 . 1551 147 147 LEU N N 128.507 0.055 . 1552 148 148 ILE H H 8.596 0.012 . 1553 148 148 ILE HA H 4.127 0.020 . 1554 148 148 ILE HB H 1.431 0.008 . 1555 148 148 ILE HG12 H 1.251 0.007 . 1556 148 148 ILE HG13 H 0.703 0.012 . 1557 148 148 ILE HG2 H 0.655 0.008 . 1558 148 148 ILE HD1 H 0.214 0.006 . 1559 148 148 ILE C C 174.674 0.005 . 1560 148 148 ILE CA C 59.626 0.090 . 1561 148 148 ILE CB C 39.878 0.063 . 1562 148 148 ILE CG1 C 26.502 0.056 . 1563 148 148 ILE CG2 C 16.931 0.071 . 1564 148 148 ILE CD1 C 14.154 0.060 . 1565 148 148 ILE N N 128.464 0.056 . 1566 149 149 SER H H 8.826 0.007 . 1567 149 149 SER HA H 4.324 0.017 . 1568 149 149 SER HB2 H 4.084 0.011 . 1569 149 149 SER HB3 H 3.870 0.014 . 1570 149 149 SER C C 175.725 0.000 . 1571 149 149 SER CA C 58.931 0.044 . 1572 149 149 SER CB C 63.718 0.123 . 1573 149 149 SER N N 122.018 0.027 . 1574 150 150 ASP H H 9.096 0.010 . 1575 150 150 ASP HA H 4.330 0.008 . 1576 150 150 ASP HB2 H 2.809 0.015 . 1577 150 150 ASP HB3 H 2.809 0.015 . 1578 150 150 ASP C C 178.356 0.004 . 1579 150 150 ASP CA C 58.260 0.069 . 1580 150 150 ASP CB C 40.384 0.078 . 1581 150 150 ASP N N 126.106 0.074 . 1582 151 151 THR H H 7.801 0.015 . 1583 151 151 THR HA H 4.141 0.014 . 1584 151 151 THR HB H 4.317 0.006 . 1585 151 151 THR HG2 H 1.262 0.007 . 1586 151 151 THR C C 174.750 0.000 . 1587 151 151 THR CA C 63.471 0.076 . 1588 151 151 THR CB C 69.169 0.115 . 1589 151 151 THR CG2 C 22.336 0.022 . 1590 151 151 THR N N 107.014 0.058 . 1591 152 152 TYR H H 7.876 0.014 . 1592 152 152 TYR HA H 4.799 0.011 . 1593 152 152 TYR HB2 H 2.962 0.022 . 1594 152 152 TYR HB3 H 3.046 0.008 . 1595 152 152 TYR HD1 H 7.100 0.009 . 1596 152 152 TYR HD2 H 7.100 0.009 . 1597 152 152 TYR HE1 H 6.742 0.006 . 1598 152 152 TYR HE2 H 6.742 0.006 . 1599 152 152 TYR C C 175.238 0.018 . 1600 152 152 TYR CA C 57.000 0.070 . 1601 152 152 TYR CB C 41.220 0.055 . 1602 152 152 TYR CD1 C 133.355 0.080 . 1603 152 152 TYR CE1 C 117.611 0.002 . 1604 152 152 TYR N N 122.064 0.080 . 1605 153 153 LEU H H 7.013 0.011 . 1606 153 153 LEU HA H 3.490 0.008 . 1607 153 153 LEU HB2 H 1.396 0.012 . 1608 153 153 LEU HB3 H 0.846 0.016 . 1609 153 153 LEU HG H 0.650 0.007 . 1610 153 153 LEU HD1 H -0.690 0.008 . 1611 153 153 LEU HD2 H 0.040 0.009 . 1612 153 153 LEU C C 176.560 0.016 . 1613 153 153 LEU CA C 59.547 0.083 . 1614 153 153 LEU CB C 41.376 0.109 . 1615 153 153 LEU CG C 26.477 0.180 . 1616 153 153 LEU CD1 C 24.119 0.049 . 1617 153 153 LEU CD2 C 22.030 0.067 . 1618 153 153 LEU N N 120.217 0.043 . 1619 154 154 ALA H H 8.853 0.008 . 1620 154 154 ALA HA H 3.659 0.011 . 1621 154 154 ALA HB H 1.343 0.004 . 1622 154 154 ALA C C 180.281 0.003 . 1623 154 154 ALA CA C 55.900 0.082 . 1624 154 154 ALA CB C 17.841 0.036 . 1625 154 154 ALA N N 117.409 0.042 . 1626 155 155 LEU H H 7.326 0.005 . 1627 155 155 LEU HA H 3.991 0.010 . 1628 155 155 LEU HB2 H 1.522 0.023 . 1629 155 155 LEU HB3 H 1.522 0.023 . 1630 155 155 LEU HG H 1.628 0.006 . 1631 155 155 LEU HD1 H 0.908 0.005 . 1632 155 155 LEU HD2 H 0.990 0.003 . 1633 155 155 LEU C C 178.374 0.008 . 1634 155 155 LEU CA C 57.706 0.056 . 1635 155 155 LEU CB C 41.569 0.084 . 1636 155 155 LEU CG C 27.646 0.089 . 1637 155 155 LEU CD1 C 24.160 0.057 . 1638 155 155 LEU CD2 C 24.899 0.047 . 1639 155 155 LEU N N 120.407 0.029 . 1640 156 156 PHE H H 8.331 0.007 . 1641 156 156 PHE HA H 3.940 0.010 . 1642 156 156 PHE HB2 H 2.887 0.014 . 1643 156 156 PHE HB3 H 2.387 0.013 . 1644 156 156 PHE HD1 H 6.970 0.014 . 1645 156 156 PHE HD2 H 6.970 0.014 . 1646 156 156 PHE HE1 H 7.182 0.009 . 1647 156 156 PHE HE2 H 7.182 0.009 . 1648 156 156 PHE HZ H 7.255 0.002 . 1649 156 156 PHE C C 177.399 0.005 . 1650 156 156 PHE CA C 60.538 0.059 . 1651 156 156 PHE CB C 38.501 0.078 . 1652 156 156 PHE CD1 C 131.297 0.032 . 1653 156 156 PHE CE1 C 131.185 0.056 . 1654 156 156 PHE CZ C 129.508 0.014 . 1655 156 156 PHE N N 122.723 0.055 . 1656 157 157 LEU H H 7.907 0.008 . 1657 157 157 LEU HA H 3.380 0.009 . 1658 157 157 LEU HB2 H 1.473 0.012 . 1659 157 157 LEU HB3 H 0.574 0.018 . 1660 157 157 LEU HG H 1.383 0.017 . 1661 157 157 LEU HD1 H -0.567 0.008 . 1662 157 157 LEU HD2 H -0.172 0.009 . 1663 157 157 LEU C C 178.837 0.003 . 1664 157 157 LEU CA C 57.802 0.156 . 1665 157 157 LEU CB C 41.040 0.074 . 1666 157 157 LEU CG C 25.840 0.047 . 1667 157 157 LEU CD1 C 24.845 0.084 . 1668 157 157 LEU CD2 C 20.281 0.056 . 1669 157 157 LEU N N 116.779 0.068 . 1670 158 158 ALA H H 7.661 0.007 . 1671 158 158 ALA HA H 4.073 0.015 . 1672 158 158 ALA HB H 1.462 0.007 . 1673 158 158 ALA C C 180.885 0.008 . 1674 158 158 ALA CA C 55.339 0.072 . 1675 158 158 ALA CB C 18.217 0.133 . 1676 158 158 ALA N N 120.737 0.065 . 1677 159 159 GLN H H 8.347 0.009 . 1678 159 159 GLN HA H 3.903 0.014 . 1679 159 159 GLN HB2 H 2.176 0.010 . 1680 159 159 GLN HB3 H 2.029 0.010 . 1681 159 159 GLN HG2 H 2.445 0.008 . 1682 159 159 GLN HG3 H 2.278 0.015 . 1683 159 159 GLN HE21 H 6.828 0.003 . 1684 159 159 GLN HE22 H 7.618 0.004 . 1685 159 159 GLN C C 178.707 0.011 . 1686 159 159 GLN CA C 59.062 0.052 . 1687 159 159 GLN CB C 27.856 0.098 . 1688 159 159 GLN CG C 34.049 0.042 . 1689 159 159 GLN N N 120.494 0.023 . 1690 159 159 GLN NE2 N 111.296 0.033 . 1691 160 160 LEU H H 7.652 0.005 . 1692 160 160 LEU HA H 3.759 0.015 . 1693 160 160 LEU HB2 H 1.542 0.024 . 1694 160 160 LEU HB3 H 0.637 0.019 . 1695 160 160 LEU HG H 0.965 0.014 . 1696 160 160 LEU HD1 H 0.068 0.012 . 1697 160 160 LEU HD2 H 0.092 0.013 . 1698 160 160 LEU C C 180.274 0.004 . 1699 160 160 LEU CA C 57.773 0.083 . 1700 160 160 LEU CB C 41.127 0.101 . 1701 160 160 LEU CG C 26.037 0.077 . 1702 160 160 LEU CD1 C 21.734 0.054 . 1703 160 160 LEU CD2 C 27.172 0.092 . 1704 160 160 LEU N N 119.304 0.045 . 1705 161 161 GLN H H 7.893 0.007 . 1706 161 161 GLN HA H 4.375 0.077 . 1707 161 161 GLN HB2 H 2.164 0.008 . 1708 161 161 GLN HB3 H 2.164 0.008 . 1709 161 161 GLN HG2 H 2.476 0.013 . 1710 161 161 GLN HG3 H 2.242 0.006 . 1711 161 161 GLN HE21 H 6.845 0.002 . 1712 161 161 GLN HE22 H 7.149 0.002 . 1713 161 161 GLN C C 180.512 0.012 . 1714 161 161 GLN CA C 59.533 0.036 . 1715 161 161 GLN CB C 29.605 0.056 . 1716 161 161 GLN CG C 35.599 0.104 . 1717 161 161 GLN N N 119.253 0.044 . 1718 161 161 GLN NE2 N 109.599 0.022 . 1719 162 162 GLN H H 8.047 0.011 . 1720 162 162 GLN HA H 4.041 0.014 . 1721 162 162 GLN HB2 H 2.223 0.011 . 1722 162 162 GLN HB3 H 2.223 0.011 . 1723 162 162 GLN HG2 H 2.454 0.006 . 1724 162 162 GLN HG3 H 2.454 0.006 . 1725 162 162 GLN HE21 H 7.431 0.001 . 1726 162 162 GLN HE22 H 6.788 0.001 . 1727 162 162 GLN C C 177.699 0.000 . 1728 162 162 GLN CA C 58.804 0.101 . 1729 162 162 GLN CB C 28.355 0.110 . 1730 162 162 GLN CG C 34.147 0.022 . 1731 162 162 GLN N N 121.295 0.062 . 1732 162 162 GLN NE2 N 111.634 0.027 . 1733 163 163 GLU H H 7.643 0.005 . 1734 163 163 GLU HA H 4.181 0.008 . 1735 163 163 GLU HB2 H 2.217 0.014 . 1736 163 163 GLU HB3 H 2.217 0.014 . 1737 163 163 GLU HG2 H 2.456 0.012 . 1738 163 163 GLU HG3 H 2.456 0.012 . 1739 163 163 GLU C C 175.819 0.000 . 1740 163 163 GLU CA C 57.166 0.083 . 1741 163 163 GLU CB C 30.127 0.065 . 1742 163 163 GLU CG C 36.635 0.093 . 1743 163 163 GLU N N 117.790 0.035 . 1744 164 164 GLY H H 7.511 0.006 . 1745 164 164 GLY HA2 H 4.174 0.002 . 1746 164 164 GLY HA3 H 3.569 0.005 . 1747 164 164 GLY C C 174.924 0.000 . 1748 164 164 GLY CA C 44.839 0.087 . 1749 164 164 GLY N N 103.985 0.082 . 1750 165 165 TYR H H 8.144 0.006 . 1751 165 165 TYR HA H 4.409 0.009 . 1752 165 165 TYR HB2 H 2.499 0.002 . 1753 165 165 TYR HB3 H 2.499 0.002 . 1754 165 165 TYR HD1 H 6.854 0.018 . 1755 165 165 TYR HD2 H 6.854 0.018 . 1756 165 165 TYR HE1 H 6.757 0.017 . 1757 165 165 TYR HE2 H 6.757 0.017 . 1758 165 165 TYR C C 177.361 0.019 . 1759 165 165 TYR CA C 59.682 0.031 . 1760 165 165 TYR CB C 38.833 0.040 . 1761 165 165 TYR CD1 C 133.425 0.011 . 1762 165 165 TYR CE1 C 118.630 0.027 . 1763 165 165 TYR N N 119.611 0.041 . 1764 166 166 SER H H 9.221 0.006 . 1765 166 166 SER HA H 4.592 0.004 . 1766 166 166 SER HB2 H 3.708 0.008 . 1767 166 166 SER HB3 H 3.458 0.006 . 1768 166 166 SER C C 172.458 0.027 . 1769 166 166 SER CA C 58.530 0.101 . 1770 166 166 SER CB C 64.784 0.089 . 1771 166 166 SER N N 117.430 0.042 . 1772 167 167 ILE H H 8.303 0.007 . 1773 167 167 ILE HA H 4.474 0.006 . 1774 167 167 ILE HB H 1.571 0.022 . 1775 167 167 ILE HG12 H 1.071 0.008 . 1776 167 167 ILE HG13 H 0.868 0.016 . 1777 167 167 ILE HG2 H 0.395 0.008 . 1778 167 167 ILE HD1 H 0.435 0.010 . 1779 167 167 ILE C C 173.394 0.016 . 1780 167 167 ILE CA C 59.817 0.062 . 1781 167 167 ILE CB C 38.653 0.000 . 1782 167 167 ILE CG1 C 27.020 0.028 . 1783 167 167 ILE CG2 C 17.949 0.033 . 1784 167 167 ILE CD1 C 13.988 0.082 . 1785 167 167 ILE N N 124.786 0.037 . 1786 168 168 PHE H H 9.805 0.010 . 1787 168 168 PHE HA H 5.266 0.010 . 1788 168 168 PHE HB2 H 2.977 0.005 . 1789 168 168 PHE HB3 H 2.764 0.010 . 1790 168 168 PHE HD1 H 7.016 0.006 . 1791 168 168 PHE HD2 H 7.016 0.006 . 1792 168 168 PHE HE1 H 7.248 0.001 . 1793 168 168 PHE HE2 H 7.248 0.001 . 1794 168 168 PHE HZ H 7.387 0.000 . 1795 168 168 PHE C C 175.543 0.007 . 1796 168 168 PHE CA C 56.313 0.109 . 1797 168 168 PHE CB C 41.800 0.011 . 1798 168 168 PHE CD1 C 131.670 0.037 . 1799 168 168 PHE CE1 C 131.619 0.027 . 1800 168 168 PHE CZ C 129.971 0.000 . 1801 168 168 PHE N N 126.001 0.077 . 1802 169 169 VAL H H 9.822 0.004 . 1803 169 169 VAL HA H 4.096 0.015 . 1804 169 169 VAL HB H 1.824 0.008 . 1805 169 169 VAL HG1 H 0.765 0.008 . 1806 169 169 VAL HG2 H 0.799 0.004 . 1807 169 169 VAL C C 175.339 0.047 . 1808 169 169 VAL CA C 62.396 0.020 . 1809 169 169 VAL CB C 33.436 0.050 . 1810 169 169 VAL CG1 C 21.256 0.000 . 1811 169 169 VAL N N 124.778 0.041 . 1812 170 170 VAL H H 7.882 0.005 . 1813 170 170 VAL HA H 4.530 0.005 . 1814 170 170 VAL HB H 2.088 0.008 . 1815 170 170 VAL HG1 H 0.731 0.007 . 1816 170 170 VAL HG2 H 0.739 0.010 . 1817 170 170 VAL C C 175.868 0.000 . 1818 170 170 VAL CA C 62.015 0.071 . 1819 170 170 VAL CB C 31.288 0.023 . 1820 170 170 VAL CG1 C 22.920 0.081 . 1821 170 170 VAL CG2 C 21.306 0.075 . 1822 170 170 VAL N N 126.514 0.036 . 1823 171 171 LYS H H 9.414 0.005 . 1824 171 171 LYS HA H 4.766 0.008 . 1825 171 171 LYS HB2 H 1.817 0.010 . 1826 171 171 LYS HB3 H 1.699 0.008 . 1827 171 171 LYS HG2 H 1.300 0.037 . 1828 171 171 LYS HG3 H 1.494 0.006 . 1829 171 171 LYS HD2 H 1.712 0.006 . 1830 171 171 LYS HD3 H 1.712 0.006 . 1831 171 171 LYS HE2 H 3.026 0.006 . 1832 171 171 LYS HE3 H 2.947 0.006 . 1833 171 171 LYS C C 175.188 0.039 . 1834 171 171 LYS CA C 54.310 0.100 . 1835 171 171 LYS CB C 34.706 0.037 . 1836 171 171 LYS CG C 24.391 0.060 . 1837 171 171 LYS CD C 29.100 0.000 . 1838 171 171 LYS CE C 42.220 0.001 . 1839 171 171 LYS N N 130.357 0.076 . 1840 172 172 GLY H H 8.288 0.005 . 1841 172 172 GLY HA2 H 4.723 0.009 . 1842 172 172 GLY HA3 H 3.709 0.006 . 1843 172 172 GLY C C 172.683 0.000 . 1844 172 172 GLY CA C 43.734 0.055 . 1845 172 172 GLY N N 111.666 0.061 . 1846 173 173 ASP H H 8.373 0.005 . 1847 173 173 ASP HA H 4.603 0.001 . 1848 173 173 ASP HB2 H 2.615 0.006 . 1849 173 173 ASP HB3 H 2.503 0.011 . 1850 173 173 ASP C C 175.173 0.024 . 1851 173 173 ASP CA C 54.644 0.053 . 1852 173 173 ASP CB C 40.844 0.067 . 1853 173 173 ASP N N 119.321 0.038 . 1854 174 174 LEU H H 7.810 0.006 . 1855 174 174 LEU HA H 4.343 0.009 . 1856 174 174 LEU HB2 H 1.518 0.012 . 1857 174 174 LEU HB3 H 1.518 0.012 . 1858 174 174 LEU HG H 1.630 0.000 . 1859 174 174 LEU HD1 H 0.733 0.009 . 1860 174 174 LEU HD2 H 0.787 0.012 . 1861 174 174 LEU C C 174.528 0.000 . 1862 174 174 LEU CA C 53.305 0.062 . 1863 174 174 LEU CB C 41.226 0.146 . 1864 174 174 LEU CG C 27.000 0.000 . 1865 174 174 LEU CD1 C 24.351 0.117 . 1866 174 174 LEU CD2 C 25.424 0.080 . 1867 174 174 LEU N N 125.837 0.048 . 1868 175 175 PRO HA H 4.511 0.008 . 1869 175 175 PRO HB2 H 2.464 0.010 . 1870 175 175 PRO HB3 H 1.945 0.008 . 1871 175 175 PRO HG2 H 1.911 0.027 . 1872 175 175 PRO HG3 H 1.911 0.027 . 1873 175 175 PRO HD2 H 3.836 0.006 . 1874 175 175 PRO HD3 H 3.427 0.004 . 1875 175 175 PRO C C 177.083 0.010 . 1876 175 175 PRO CA C 63.094 0.046 . 1877 175 175 PRO CB C 31.987 0.019 . 1878 175 175 PRO CG C 27.901 0.000 . 1879 175 175 PRO CD C 50.237 0.079 . 1880 176 176 ASP H H 8.787 0.009 . 1881 176 176 ASP HA H 4.666 0.031 . 1882 176 176 ASP HB2 H 2.648 0.010 . 1883 176 176 ASP HB3 H 2.580 0.012 . 1884 176 176 ASP C C 175.682 0.001 . 1885 176 176 ASP CA C 55.324 0.060 . 1886 176 176 ASP CB C 41.346 0.107 . 1887 176 176 ASP N N 123.489 0.052 . 1888 177 177 CYS H H 8.391 0.011 . 1889 177 177 CYS HA H 5.064 0.012 . 1890 177 177 CYS HB2 H 3.288 0.008 . 1891 177 177 CYS HB3 H 3.198 0.013 . 1892 177 177 CYS C C 174.380 0.072 . 1893 177 177 CYS CA C 56.520 0.095 . 1894 177 177 CYS CB C 32.143 0.109 . 1895 177 177 CYS N N 114.845 0.052 . 1896 178 178 GLU H H 9.014 0.007 . 1897 178 178 GLU HA H 4.067 0.009 . 1898 178 178 GLU HB2 H 2.131 0.089 . 1899 178 178 GLU HB3 H 2.131 0.089 . 1900 178 178 GLU HG2 H 2.309 0.011 . 1901 178 178 GLU HG3 H 2.309 0.011 . 1902 178 178 GLU C C 178.669 0.029 . 1903 178 178 GLU CA C 59.695 0.063 . 1904 178 178 GLU CB C 30.346 0.004 . 1905 178 178 GLU CG C 36.645 0.000 . 1906 178 178 GLU N N 122.780 0.061 . 1907 179 179 ALA H H 8.732 0.008 . 1908 179 179 ALA HA H 4.082 0.006 . 1909 179 179 ALA HB H 1.353 0.008 . 1910 179 179 ALA C C 178.305 0.018 . 1911 179 179 ALA CA C 55.196 0.036 . 1912 179 179 ALA CB C 19.801 0.089 . 1913 179 179 ALA N N 119.864 0.052 . 1914 180 180 ASP H H 7.523 0.004 . 1915 180 180 ASP HA H 4.412 0.007 . 1916 180 180 ASP HB2 H 2.836 0.007 . 1917 180 180 ASP HB3 H 2.716 0.010 . 1918 180 180 ASP C C 177.250 0.014 . 1919 180 180 ASP CA C 56.981 0.038 . 1920 180 180 ASP CB C 42.340 0.043 . 1921 180 180 ASP N N 116.140 0.040 . 1922 181 181 GLN H H 7.505 0.008 . 1923 181 181 GLN HA H 4.182 0.010 . 1924 181 181 GLN HB2 H 2.162 0.000 . 1925 181 181 GLN HB3 H 2.162 0.000 . 1926 181 181 GLN HG2 H 2.488 0.004 . 1927 181 181 GLN HG3 H 2.488 0.004 . 1928 181 181 GLN HE21 H 7.639 0.000 . 1929 181 181 GLN HE22 H 6.783 0.000 . 1930 181 181 GLN C C 178.222 0.004 . 1931 181 181 GLN CA C 57.761 0.016 . 1932 181 181 GLN N N 115.907 0.091 . 1933 181 181 GLN NE2 N 112.400 0.000 . 1934 182 182 LEU H H 8.209 0.005 . 1935 182 182 LEU HA H 4.195 0.011 . 1936 182 182 LEU HB2 H 1.734 0.008 . 1937 182 182 LEU HB3 H 1.573 0.010 . 1938 182 182 LEU HG H 1.601 0.000 . 1939 182 182 LEU HD1 H 0.892 0.005 . 1940 182 182 LEU HD2 H 0.858 0.014 . 1941 182 182 LEU C C 179.056 0.032 . 1942 182 182 LEU CA C 57.440 0.087 . 1943 182 182 LEU CB C 42.603 0.023 . 1944 182 182 LEU CG C 27.544 0.000 . 1945 182 182 LEU CD1 C 25.253 0.097 . 1946 182 182 LEU CD2 C 23.943 0.018 . 1947 182 182 LEU N N 120.368 0.034 . 1948 183 183 LEU H H 8.127 0.006 . 1949 183 183 LEU HA H 4.430 0.009 . 1950 183 183 LEU HB2 H 1.826 0.000 . 1951 183 183 LEU HB3 H 1.729 0.010 . 1952 183 183 LEU HD1 H 0.801 0.012 . 1953 183 183 LEU HD2 H 0.850 0.000 . 1954 183 183 LEU C C 177.927 0.004 . 1955 183 183 LEU CA C 56.477 0.069 . 1956 183 183 LEU CB C 41.055 0.027 . 1957 183 183 LEU CD1 C 25.793 0.024 . 1958 183 183 LEU CD2 C 24.070 0.000 . 1959 183 183 LEU N N 118.830 0.038 . 1960 184 184 GLN H H 7.739 0.007 . 1961 184 184 GLN HA H 4.187 0.020 . 1962 184 184 GLN HB2 H 2.054 0.000 . 1963 184 184 GLN HB3 H 2.171 0.000 . 1964 184 184 GLN HG2 H 2.526 0.019 . 1965 184 184 GLN HG3 H 2.526 0.019 . 1966 184 184 GLN C C 176.310 0.332 . 1967 184 184 GLN CA C 57.290 0.078 . 1968 184 184 GLN CB C 29.471 0.000 . 1969 184 184 GLN CG C 33.702 0.000 . 1970 184 184 GLN N N 118.584 0.067 . 1971 185 185 MET H H 7.900 0.005 . 1972 185 185 MET HA H 4.486 0.004 . 1973 185 185 MET HB2 H 2.121 0.000 . 1974 185 185 MET HB3 H 2.121 0.000 . 1975 185 185 MET HG2 H 2.543 0.000 . 1976 185 185 MET HG3 H 2.543 0.000 . 1977 185 185 MET C C 175.960 0.000 . 1978 185 185 MET CA C 56.003 0.013 . 1979 185 185 MET CB C 33.670 0.000 . 1980 185 185 MET N N 117.609 0.092 . 1981 186 186 ILE H H 7.914 0.010 . 1982 186 186 ILE HA H 4.230 0.017 . 1983 186 186 ILE HB H 1.848 0.009 . 1984 186 186 ILE HG12 H 1.458 0.011 . 1985 186 186 ILE HG13 H 1.177 0.016 . 1986 186 186 ILE HG2 H 0.877 0.012 . 1987 186 186 ILE HD1 H 0.834 0.005 . 1988 186 186 ILE C C 174.871 0.037 . 1989 186 186 ILE CA C 60.951 0.055 . 1990 186 186 ILE CB C 39.695 0.131 . 1991 186 186 ILE CG1 C 27.502 0.040 . 1992 186 186 ILE CG2 C 17.688 0.044 . 1993 186 186 ILE CD1 C 13.279 0.080 . 1994 186 186 ILE N N 120.860 0.051 . 1995 187 187 ARG H H 8.222 0.006 . 1996 187 187 ARG HA H 4.501 0.011 . 1997 187 187 ARG HB2 H 1.721 0.000 . 1998 187 187 ARG HG2 H 1.594 0.000 . 1999 187 187 ARG HD2 H 3.186 0.004 . 2000 187 187 ARG C C 176.407 0.012 . 2001 187 187 ARG CA C 55.462 0.046 . 2002 187 187 ARG CB C 31.679 0.076 . 2003 187 187 ARG CG C 27.507 0.007 . 2004 187 187 ARG CD C 43.572 0.000 . 2005 187 187 ARG N N 123.696 0.044 . 2006 188 188 VAL H H 8.691 0.013 . 2007 188 188 VAL C C 175.973 0.000 . 2008 188 188 VAL CA C 62.668 0.018 . 2009 188 188 VAL CB C 33.104 0.000 . 2010 188 188 VAL N N 122.592 0.031 . 2011 189 189 GLN H H 8.504 0.004 . 2012 189 189 GLN HA H 4.351 0.008 . 2013 189 189 GLN HB2 H 2.356 0.000 . 2014 189 189 GLN C C 174.550 0.004 . 2015 189 189 GLN CA C 56.014 0.019 . 2016 189 189 GLN CB C 30.327 0.000 . 2017 189 189 GLN CG C 34.035 0.000 . 2018 189 189 GLN N N 124.936 0.033 . 2019 190 190 GLN H H 8.062 0.004 . 2020 190 190 GLN HA H 4.143 0.009 . 2021 190 190 GLN HB2 H 2.097 0.000 . 2022 190 190 GLN HB3 H 1.939 0.000 . 2023 190 190 GLN HG2 H 2.304 0.000 . 2024 190 190 GLN HG3 H 2.304 0.000 . 2025 190 190 GLN C C 180.411 0.000 . 2026 190 190 GLN CA C 57.728 0.055 . 2027 190 190 GLN CB C 30.855 0.000 . 2028 190 190 GLN N N 127.408 0.055 . stop_ save_