data_5820 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Tertiary structure of thiopurine methyltransferase from Pseudomonas syringae, the bacterial orthologue of a polymorphic, drug-metabolizing enzyme ; _BMRB_accession_number 5820 _BMRB_flat_file_name bmr5820.str _Entry_type original _Submission_date 2003-06-06 _Accession_date 2003-06-09 _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 Scheuermann Thomas H. . 2 Lolis Elias . . 3 Hodsdon Michael E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 951 "13C chemical shifts" 792 "15N chemical shifts" 194 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-10-17 original author . stop_ _Original_release_date 2003-10-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Tertiary Structure of Thiopurine Methyltransferase from Pseudomonas syringae, a Bacterial Orthologue of a Polymorphic, Drug-metabolizing Enzyme ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22919592 _PubMed_ID 14556746 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Scheuermann Thomas H. . 2 Lolis Elias . . 3 Hodsdon Michael E. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 333 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 573 _Page_last 585 _Year 2003 _Details . loop_ _Keyword 'Thiopurine Methyltransferase' 'drug metabolism' S-adenosylmethionine polymorphism stop_ save_ ################################## # Molecular system description # ################################## save_system_TPMT _Saveframe_category molecular_system _Mol_system_name 'Thiopurine Methyltransferase' _Abbreviation_common TPMT _Enzyme_commission_number 2.1.1.67 loop_ _Mol_system_component_name _Mol_label TPMT $TPMT stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function S-methylation 'drug metabolism' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TPMT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'thiopurine methyltransferase' _Name_variant 'thiopurine methyltransferase' _Abbreviation_common TPMT _Molecular_mass 22566.5 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 203 _Mol_residue_sequence ; GSHQSEVNKDLQQYWSSLNV VPGARVLVPLCGKSQDMSWL SGQGYHVVGAELSEAAVERY FTERGEQPHITSQGDFKVYA APGIEIWCGDFFALTARDIG HCAAFYDRAAMIALPADMRE RYVQHLEALMPQACSGLLIT LEYDQALLEGPPFSVPQTWL HRVMSGNWEVTKVGGQDTLH SSARGLKAGLERMDEHVYVL ERV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 GLN 5 SER 6 GLU 7 VAL 8 ASN 9 LYS 10 ASP 11 LEU 12 GLN 13 GLN 14 TYR 15 TRP 16 SER 17 SER 18 LEU 19 ASN 20 VAL 21 VAL 22 PRO 23 GLY 24 ALA 25 ARG 26 VAL 27 LEU 28 VAL 29 PRO 30 LEU 31 CYS 32 GLY 33 LYS 34 SER 35 GLN 36 ASP 37 MET 38 SER 39 TRP 40 LEU 41 SER 42 GLY 43 GLN 44 GLY 45 TYR 46 HIS 47 VAL 48 VAL 49 GLY 50 ALA 51 GLU 52 LEU 53 SER 54 GLU 55 ALA 56 ALA 57 VAL 58 GLU 59 ARG 60 TYR 61 PHE 62 THR 63 GLU 64 ARG 65 GLY 66 GLU 67 GLN 68 PRO 69 HIS 70 ILE 71 THR 72 SER 73 GLN 74 GLY 75 ASP 76 PHE 77 LYS 78 VAL 79 TYR 80 ALA 81 ALA 82 PRO 83 GLY 84 ILE 85 GLU 86 ILE 87 TRP 88 CYS 89 GLY 90 ASP 91 PHE 92 PHE 93 ALA 94 LEU 95 THR 96 ALA 97 ARG 98 ASP 99 ILE 100 GLY 101 HIS 102 CYS 103 ALA 104 ALA 105 PHE 106 TYR 107 ASP 108 ARG 109 ALA 110 ALA 111 MET 112 ILE 113 ALA 114 LEU 115 PRO 116 ALA 117 ASP 118 MET 119 ARG 120 GLU 121 ARG 122 TYR 123 VAL 124 GLN 125 HIS 126 LEU 127 GLU 128 ALA 129 LEU 130 MET 131 PRO 132 GLN 133 ALA 134 CYS 135 SER 136 GLY 137 LEU 138 LEU 139 ILE 140 THR 141 LEU 142 GLU 143 TYR 144 ASP 145 GLN 146 ALA 147 LEU 148 LEU 149 GLU 150 GLY 151 PRO 152 PRO 153 PHE 154 SER 155 VAL 156 PRO 157 GLN 158 THR 159 TRP 160 LEU 161 HIS 162 ARG 163 VAL 164 MET 165 SER 166 GLY 167 ASN 168 TRP 169 GLU 170 VAL 171 THR 172 LYS 173 VAL 174 GLY 175 GLY 176 GLN 177 ASP 178 THR 179 LEU 180 HIS 181 SER 182 SER 183 ALA 184 ARG 185 GLY 186 LEU 187 LYS 188 ALA 189 GLY 190 LEU 191 GLU 192 ARG 193 MET 194 ASP 195 GLU 196 HIS 197 VAL 198 TYR 199 VAL 200 LEU 201 GLU 202 ARG 203 VAL 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 PDB 1PJZ "Solution Structure Of Thiopurine Methyltransferase From Pseudomonas Syringae" 100.00 203 100.00 100.00 3.05e-148 GB AAC27664 "thiopurine methyltransferase [Pseudomonas syringae]" 100.00 218 99.51 99.51 7.56e-147 GB EGH42918 "thiopurine S-methyltransferase [Pseudomonas syringae pv. pisi str. 1704B]" 100.00 218 99.51 99.51 7.56e-147 GB KEZ71289 "thiopurine S-methyltransferase, partial [Pseudomonas syringae pv. syringae FF5]" 98.52 200 97.50 98.00 9.17e-143 GB KFF83305 "thiopurine S-methyltransferase [Pseudomonas syringae pv. syringae]" 100.00 218 97.04 98.03 4.21e-144 REF WP_024960070 "thiopurine S-methyltransferase [Pseudomonas syringae]" 100.00 218 97.54 98.03 1.57e-144 REF WP_032661192 "thiopurine S-methyltransferase [Pseudomonas syringae]" 100.00 218 97.04 98.03 4.21e-144 SP O86262 "RecName: Full=Thiopurine S-methyltransferase; AltName: Full=Tellurite-resistance determinant; Short=TEL-R determinant; AltName:" 100.00 218 99.51 99.51 7.56e-147 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $TPMT 'Pseudomonas syringae' 317 Eubacteria . Pseudomonas syringae 'pv. pisi' 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 $TPMT 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TPMT 1.5 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 20 mM . 'sodium chloride' 150 mM . 'sodium azide' 0.05 % . leupeptin 1 uM . pepstatin 1 uM . PMSF 1 uM . D20 5 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.02 n/a temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 external indirect . . . . $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 external indirect . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_set_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name TPMT _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 . 3 HIS C C 175.434 0.000 . 2 . 3 HIS CB C 30.969 0.000 . 3 . 4 GLN HB2 H 1.958 0.012 . 4 . 4 GLN HG2 H 2.327 0.005 . 5 . 4 GLN HB3 H 2.108 0.006 . 6 . 4 GLN C C 176.179 0.000 . 7 . 4 GLN CA C 56.723 0.107 . 8 . 4 GLN CB C 29.781 0.092 . 9 . 4 GLN CG C 34.306 0.031 . 10 . 4 GLN H H 8.476 0.005 . 11 . 4 GLN HA H 4.349 0.002 . 12 . 4 GLN N N 121.945 0.03 . 13 . 5 SER HB2 H 3.896 0.004 . 14 . 5 SER C C 174.573 0.000 . 15 . 5 SER CA C 59.392 0.02 . 16 . 5 SER CB C 64.257 0.037 . 17 . 5 SER H H 8.473 0.006 . 18 . 5 SER HA H 4.426 0.001 . 19 . 5 SER N N 117.354 0.043 . 20 . 6 GLU HB2 H 1.881 0.004 . 21 . 6 GLU HG2 H 2.238 0.01 . 22 . 6 GLU HB3 H 2.096 0.008 . 23 . 6 GLU C C 175.98 0.000 . 24 . 6 GLU CA C 56.659 0.084 . 25 . 6 GLU CB C 30.867 0.087 . 26 . 6 GLU CG C 36.697 0.027 . 27 . 6 GLU H H 8.452 0.004 . 28 . 6 GLU HA H 4.349 0.001 . 29 . 6 GLU N N 122.265 0.037 . 30 . 7 VAL HG1 H 0.53 0.006 . 31 . 7 VAL HG2 H 0.858 0.005 . 32 . 7 VAL C C 175.522 0.000 . 33 . 7 VAL CA C 62.326 0.087 . 34 . 7 VAL CB C 33.202 0.1 . 35 . 7 VAL CG1 C 21.073 0.069 . 36 . 7 VAL CG2 C 22.816 0.013 . 37 . 7 VAL H H 7.898 0.004 . 38 . 7 VAL HA H 3.943 0.006 . 39 . 7 VAL HB H 1.611 0.005 . 40 . 7 VAL N N 123.059 0.043 . 41 . 8 ASN HB2 H 2.524 0.000 . 42 . 8 ASN HB3 H 3.04 0.005 . 43 . 8 ASN C C 176.742 0.000 . 44 . 8 ASN CA C 56.482 0.076 . 45 . 8 ASN CB C 41.087 0.038 . 46 . 8 ASN H H 9.173 0.015 . 47 . 8 ASN HA H 4.328 0.001 . 48 . 8 ASN N N 128.388 0.117 . 49 . 9 LYS HB2 H 1.77 0.003 . 50 . 9 LYS HD2 H 1.609 0.006 . 51 . 9 LYS HE2 H 2.967 0.007 . 52 . 9 LYS HG2 H 1.403 0.007 . 53 . 9 LYS C C 178.38 0.000 . 54 . 9 LYS CA C 59.637 0.073 . 55 . 9 LYS CB C 32.588 0.053 . 56 . 9 LYS CD C 29.379 0.035 . 57 . 9 LYS CE C 42.556 0.02 . 58 . 9 LYS CG C 25.247 0.055 . 59 . 9 LYS H H 8.785 0.005 . 60 . 9 LYS HA H 3.83 0.003 . 61 . 9 LYS N N 126.623 0.048 . 62 . 10 ASP HB2 H 2.536 0.002 . 63 . 10 ASP HB3 H 3.045 0.009 . 64 . 10 ASP C C 178.334 0.000 . 65 . 10 ASP CA C 58.601 0.076 . 66 . 10 ASP CB C 41.884 0.033 . 67 . 10 ASP H H 7.89 0.005 . 68 . 10 ASP HA H 4.637 0.007 . 69 . 10 ASP N N 122.529 0.055 . 70 . 11 LEU HB2 H 1.343 0.009 . 71 . 11 LEU HD1 H -0.013 0.013 . 72 . 11 LEU HD2 H 0.356 0.003 . 73 . 11 LEU HB3 H 1.471 0.007 . 74 . 11 LEU C C 177.206 0.000 . 75 . 11 LEU CA C 59.088 0.076 . 76 . 11 LEU CB C 40.62 0.04 . 77 . 11 LEU CD1 C 22.68 0.073 . 78 . 11 LEU CD2 C 26.085 0.056 . 79 . 11 LEU CG C 26.407 0.001 . 80 . 11 LEU H H 8.703 0.008 . 81 . 11 LEU HA H 3.811 0.003 . 82 . 11 LEU HG H 0.611 0.008 . 83 . 11 LEU N N 123.497 0.057 . 84 . 12 GLN HB2 H 1.642 0.008 . 85 . 12 GLN HG2 H 1.747 0.01 . 86 . 12 GLN HG3 H 0.914 0.012 . 87 . 12 GLN C C 178.602 0.000 . 88 . 12 GLN CA C 58.907 0.041 . 89 . 12 GLN CB C 29.655 0.112 . 90 . 12 GLN CG C 34.645 0.028 . 91 . 12 GLN H H 6.708 0.006 . 92 . 12 GLN HA H 3.284 0.007 . 93 . 12 GLN N N 111.709 0.043 . 94 . 13 GLN HB2 H 1.471 0.006 . 95 . 13 GLN HG2 H 1.594 0.004 . 96 . 13 GLN HB3 H 1.905 0.012 . 97 . 13 GLN C C 178.078 0.000 . 98 . 13 GLN CA C 58.708 0.13 . 99 . 13 GLN CB C 29.482 0.083 . 100 . 13 GLN CG C 33.117 0.005 . 101 . 13 GLN H H 7.8 0.003 . 102 . 13 GLN HA H 4.048 0.005 . 103 . 13 GLN N N 117.882 0.035 . 104 . 14 TYR HB2 H 2.709 0.007 . 105 . 14 TYR HD1 H 7.248 0.002 . 106 . 14 TYR HE1 H 6.822 0.003 . 107 . 14 TYR HB3 H 2.998 0.016 . 108 . 14 TYR C C 177.819 0.000 . 109 . 14 TYR CA C 60.528 0.06 . 110 . 14 TYR CB C 40.411 0.082 . 111 . 14 TYR CD1 C 133.977 0.07 . 112 . 14 TYR CE1 C 118.646 0.068 . 113 . 14 TYR H H 8.43 0.003 . 114 . 14 TYR HA H 4.724 0.009 . 115 . 14 TYR N N 114.129 0.049 . 116 . 15 TRP HB2 H 3.41 0.007 . 117 . 15 TRP HB3 H 3.897 0.013 . 118 . 15 TRP HZ2 H 6.228 0.003 . 119 . 15 TRP C C 179.239 0.000 . 120 . 15 TRP CA C 62.138 0.049 . 121 . 15 TRP CB C 30.024 0.103 . 122 . 15 TRP CD1 C 126.003 0.062 . 123 . 15 TRP CH2 C 124.759 0.046 . 124 . 15 TRP CZ2 C 113.473 0.024 . 125 . 15 TRP H H 8.774 0.003 . 126 . 15 TRP HA H 4.283 0.007 . 127 . 15 TRP HD1 H 7.294 0.003 . 128 . 15 TRP HH2 H 6.592 0.006 . 129 . 15 TRP N N 123.622 0.047 . 130 . 16 SER HB2 H 4.126 0.004 . 131 . 16 SER C C 176.892 0.000 . 132 . 16 SER CA C 61.323 0.046 . 133 . 16 SER CB C 63.033 0.026 . 134 . 16 SER H H 9.193 0.007 . 135 . 16 SER HA H 4.262 0.001 . 136 . 16 SER N N 112.006 0.05 . 137 . 17 SER HB2 H 4.125 0.006 . 138 . 17 SER C C 174.726 0.000 . 139 . 17 SER CA C 61.584 0.03 . 140 . 17 SER CB C 63.965 0.038 . 141 . 17 SER H H 8.016 0.004 . 142 . 17 SER HA H 4.297 0.013 . 143 . 17 SER N N 118.929 0.069 . 144 . 18 LEU HB2 H 1.024 0.003 . 145 . 18 LEU HD1 H 0.318 0.019 . 146 . 18 LEU HB3 H 1.13 0.006 . 147 . 18 LEU C C 177.206 0.000 . 148 . 18 LEU CA C 57.255 0.041 . 149 . 18 LEU CB C 42.857 0.082 . 150 . 18 LEU CD1 C 25.577 0.049 . 151 . 18 LEU CG C 29.572 0.086 . 152 . 18 LEU H H 7.472 0.002 . 153 . 18 LEU HA H 3.964 0.002 . 154 . 18 LEU HG H 1.392 0.005 . 155 . 18 LEU N N 121.128 0.042 . 156 . 19 ASN HB2 H 2.672 0.006 . 157 . 19 ASN HB3 H 2.936 0.01 . 158 . 19 ASN C C 174.265 0.000 . 159 . 19 ASN CA C 54.462 0.044 . 160 . 19 ASN CB C 37.704 0.047 . 161 . 19 ASN H H 7.808 0.005 . 162 . 19 ASN HA H 4.299 0.001 . 163 . 19 ASN N N 115.344 0.063 . 164 . 20 VAL HG1 H 0.422 0.007 . 165 . 20 VAL HG2 H 0.911 0.013 . 166 . 20 VAL C C 177.774 0.000 . 167 . 20 VAL CA C 62.867 0.019 . 168 . 20 VAL CB C 32.057 0.096 . 169 . 20 VAL CG1 C 23.027 0.154 . 170 . 20 VAL CG2 C 23.102 0.056 . 171 . 20 VAL H H 8.439 0.007 . 172 . 20 VAL HA H 3.924 0.009 . 173 . 20 VAL HB H 1.643 0.004 . 174 . 20 VAL N N 120.044 0.042 . 175 . 21 VAL HG1 H 1.107 0.003 . 176 . 21 VAL CA C 61.457 0.076 . 177 . 21 VAL CB C 32.575 0.025 . 178 . 21 VAL CG1 C 21.093 0.000 . 179 . 21 VAL H H 8.66 0.008 . 180 . 21 VAL HA H 4.373 0.006 . 181 . 21 VAL HB H 2.202 0.004 . 182 . 21 VAL N N 131.849 0.04 . 183 . 22 PRO HB2 H 1.771 0.006 . 184 . 22 PRO HD2 H 3.641 0.008 . 185 . 22 PRO HG2 H 2.111 0.005 . 186 . 22 PRO HB3 H 2.163 0.009 . 187 . 22 PRO HD3 H 3.995 0.005 . 188 . 22 PRO HG3 H 1.959 0.005 . 189 . 22 PRO C C 177.871 0.000 . 190 . 22 PRO CA C 64.662 0.038 . 191 . 22 PRO CB C 32.138 0.051 . 192 . 22 PRO CD C 51.574 0.064 . 193 . 22 PRO CG C 28.45 0.064 . 194 . 22 PRO HA H 3.846 0.008 . 195 . 23 GLY HA2 H 3.88 0.001 . 196 . 23 GLY HA3 H 4.259 0.000 . 197 . 23 GLY C C 174.37 0.000 . 198 . 23 GLY CA C 45.277 0.041 . 199 . 23 GLY H H 7.722 0.005 . 200 . 23 GLY N N 111.474 0.041 . 201 . 24 ALA HB H 1.721 0.002 . 202 . 24 ALA C C 176.305 0.000 . 203 . 24 ALA CA C 53.157 0.062 . 204 . 24 ALA CB C 21.351 0.059 . 205 . 24 ALA H H 7.856 0.003 . 206 . 24 ALA HA H 4.386 0.009 . 207 . 24 ALA N N 122.137 0.031 . 208 . 25 ARG HB2 H 2.196 0.004 . 209 . 25 ARG HD2 H 3.363 0.002 . 210 . 25 ARG HG2 H 1.606 0.000 . 211 . 25 ARG HB3 H 2.374 0.008 . 212 . 25 ARG HD3 H 3.425 0.002 . 213 . 25 ARG HG3 H 2.01 0.005 . 214 . 25 ARG C C 176.868 0.000 . 215 . 25 ARG CA C 56.064 0.025 . 216 . 25 ARG CB C 33.181 0.082 . 217 . 25 ARG CD C 44.432 0.02 . 218 . 25 ARG CG C 29.886 0.127 . 219 . 25 ARG H H 9.019 0.005 . 220 . 25 ARG HA H 5.779 0.006 . 221 . 25 ARG N N 120.212 0.044 . 222 . 26 VAL HG1 H 0.835 0.006 . 223 . 26 VAL HG2 H 0.895 0.001 . 224 . 26 VAL C C 174.426 0.000 . 225 . 26 VAL CA C 60.473 0.11 . 226 . 26 VAL CB C 36.489 0.071 . 227 . 26 VAL CG1 C 21.991 0.071 . 228 . 26 VAL CG2 C 22.255 0.028 . 229 . 26 VAL H H 8.801 0.01 . 230 . 26 VAL HA H 4.863 0.004 . 231 . 26 VAL HB H 1.783 0.005 . 232 . 26 VAL N N 121.797 0.068 . 233 . 27 LEU HB2 H 1.744 0.000 . 234 . 27 LEU HD1 H 0.916 0.006 . 235 . 27 LEU HD2 H 0.994 0.004 . 236 . 27 LEU HB3 H 2.083 0.009 . 237 . 27 LEU C C 176.328 0.000 . 238 . 27 LEU CA C 54.897 0.061 . 239 . 27 LEU CB C 44.152 0.025 . 240 . 27 LEU CD1 C 27.628 0.059 . 241 . 27 LEU CD2 C 22.752 0.096 . 242 . 27 LEU H H 8.889 0.006 . 243 . 27 LEU HA H 5.492 0.006 . 244 . 27 LEU HG H 1.485 0.000 . 245 . 27 LEU N N 129.248 0.035 . 246 . 28 VAL HG1 H 1.029 0.004 . 247 . 28 VAL CA C 59.493 0.091 . 248 . 28 VAL CB C 32.794 0.171 . 249 . 28 VAL CG1 C 22.45 0.02 . 250 . 28 VAL H H 9.488 0.006 . 251 . 28 VAL HA H 5.265 0.006 . 252 . 28 VAL HB H 2.171 0.006 . 253 . 28 VAL N N 128.622 0.047 . 254 . 29 PRO HB2 H 1.621 0.004 . 255 . 29 PRO HD2 H 3.76 0.000 . 256 . 29 PRO HG2 H 2.27 0.009 . 257 . 29 PRO HB3 H 1.97 0.000 . 258 . 29 PRO C C 175.275 0.000 . 259 . 29 PRO CA C 63.193 0.061 . 260 . 29 PRO CB C 33.843 0.075 . 261 . 29 PRO CD C 40.046 0.000 . 262 . 29 PRO CG C 27.819 0.031 . 263 . 29 PRO HA H 4.076 0.013 . 264 . 30 LEU HB2 H 1.578 0.008 . 265 . 30 LEU HD1 H 0.632 0.012 . 266 . 30 LEU HD2 H 0.779 0.009 . 267 . 30 LEU C C 178.21 0.000 . 268 . 30 LEU CA C 56.776 0.205 . 269 . 30 LEU CB C 37.843 0.036 . 270 . 30 LEU CD1 C 24.95 0.026 . 271 . 30 LEU CD2 C 24.731 0.099 . 272 . 30 LEU CG C 28.815 0.071 . 273 . 30 LEU H H 7.798 0.006 . 274 . 30 LEU HA H 4.243 0.003 . 275 . 30 LEU HG H 1.36 0.004 . 276 . 30 LEU N N 122.591 0.063 . 277 . 31 CYS HB2 H 3.009 0.007 . 278 . 31 CYS HB3 H 3.401 0.006 . 279 . 31 CYS C C 175.828 0.000 . 280 . 31 CYS CA C 59.427 0.083 . 281 . 31 CYS CB C 31.421 0.1 . 282 . 31 CYS H H 7.885 0.007 . 283 . 31 CYS HA H 4.003 0.003 . 284 . 31 CYS N N 114.456 0.039 . 285 . 32 GLY HA2 H 3.305 0.007 . 286 . 32 GLY HA3 H 3.743 0.006 . 287 . 32 GLY C C 171.129 0.000 . 288 . 32 GLY CA C 47.972 0.049 . 289 . 32 GLY H H 9.357 0.004 . 290 . 32 GLY N N 116.121 0.052 . 291 . 33 LYS CA C 53.312 0.000 . 292 . 33 LYS CB C 32.364 0.000 . 293 . 33 LYS H H 8.271 0.005 . 294 . 33 LYS N N 119.49 0.056 . 295 . 34 SER HB2 H 3.845 0.006 . 296 . 34 SER HB3 H 4.13 0.000 . 297 . 34 SER C C 177.144 0.000 . 298 . 34 SER CA C 60.081 0.027 . 299 . 34 SER CB C 65.094 0.104 . 300 . 34 SER HA H 4.287 0.007 . 301 . 35 GLN HB2 H 2.008 0.004 . 302 . 35 GLN HG2 H 2.576 0.006 . 303 . 35 GLN HB3 H 2.303 0.011 . 304 . 35 GLN C C 177.434 0.000 . 305 . 35 GLN CA C 58.566 0.056 . 306 . 35 GLN CB C 28.205 0.06 . 307 . 35 GLN CG C 34.319 0.049 . 308 . 35 GLN H H 9.213 0.005 . 309 . 35 GLN HA H 4.326 0.007 . 310 . 35 GLN N N 126.432 0.067 . 311 . 36 ASP HB2 H 2.719 0.001 . 312 . 36 ASP C C 179.19 0.000 . 313 . 36 ASP CA C 58.205 0.131 . 314 . 36 ASP CB C 41.871 0.066 . 315 . 36 ASP H H 8.645 0.008 . 316 . 36 ASP HA H 4.372 0.002 . 317 . 36 ASP N N 123.404 0.048 . 318 . 37 MET HB2 H 2.024 0.008 . 319 . 37 MET HB3 H 2.686 0.004 . 320 . 37 MET C C 177.614 0.000 . 321 . 37 MET CA C 61.474 0.074 . 322 . 37 MET CB C 33.88 0.05 . 323 . 37 MET H H 7.704 0.004 . 324 . 37 MET HA H 3.863 0.005 . 325 . 37 MET N N 114.979 0.043 . 326 . 38 SER HB2 H 4.053 0.013 . 327 . 38 SER C C 176.925 0.000 . 328 . 38 SER CA C 60.796 0.031 . 329 . 38 SER CB C 62.712 0.036 . 330 . 38 SER H H 7.429 0.004 . 331 . 38 SER HA H 4.322 0.019 . 332 . 38 SER N N 114.377 0.025 . 333 . 39 TRP HB2 H 3.243 0.007 . 334 . 39 TRP HE1 H 10.373 0.003 . 335 . 39 TRP HB3 H 3.353 0.013 . 336 . 39 TRP HZ2 H 7.505 0.005 . 337 . 39 TRP HE3 H 6.872 0.006 . 338 . 39 TRP HZ3 H 6.275 0.01 . 339 . 39 TRP C C 178.866 0.000 . 340 . 39 TRP CA C 62.887 0.042 . 341 . 39 TRP CB C 29.603 0.143 . 342 . 39 TRP CD1 C 128.041 0.066 . 343 . 39 TRP CE3 C 120.022 0.064 . 344 . 39 TRP CH2 C 125.488 0.066 . 345 . 39 TRP CZ2 C 115.091 0.092 . 346 . 39 TRP CZ3 C 122.075 0.067 . 347 . 39 TRP H H 11.085 0.005 . 348 . 39 TRP HA H 4.183 0.011 . 349 . 39 TRP HD1 H 7.328 0.004 . 350 . 39 TRP HH2 H 7.283 0.004 . 351 . 39 TRP N N 124.719 0.048 . 352 . 39 TRP NE1 N 130.498 0.041 . 353 . 40 LEU HB2 H 0.844 0.001 . 354 . 40 LEU HD1 H -0.485 0.007 . 355 . 40 LEU HD2 H 0.299 0.007 . 356 . 40 LEU HB3 H 1.879 0.004 . 357 . 40 LEU C C 179.359 0.000 . 358 . 40 LEU CA C 59.054 0.037 . 359 . 40 LEU CB C 43.909 0.044 . 360 . 40 LEU CD1 C 22.467 0.065 . 361 . 40 LEU CD2 C 25.547 0.041 . 362 . 40 LEU CG C 27.923 0.001 . 363 . 40 LEU H H 7.977 0.007 . 364 . 40 LEU HA H 3.499 0.007 . 365 . 40 LEU HG H 1.43 0.003 . 366 . 40 LEU N N 119.21 0.043 . 367 . 41 SER HB2 H 4.01 0.002 . 368 . 41 SER C C 179.851 0.000 . 369 . 41 SER CA C 61.653 0.057 . 370 . 41 SER CB C 63.463 0.049 . 371 . 41 SER H H 8.287 0.006 . 372 . 41 SER HA H 5.14 0.004 . 373 . 41 SER N N 115.286 0.049 . 374 . 42 GLY HA2 H 3.895 0.000 . 375 . 42 GLY C C 175.538 0.000 . 376 . 42 GLY CA C 47.133 0.042 . 377 . 42 GLY H H 8.232 0.003 . 378 . 42 GLY N N 112.618 0.065 . 379 . 43 GLN HB2 H 1.76 0.012 . 380 . 43 GLN HG2 H 0.657 0.005 . 381 . 43 GLN HB3 H 2.228 0.004 . 382 . 43 GLN HG3 H 1.229 0.011 . 383 . 43 GLN C C 175.486 0.000 . 384 . 43 GLN CA C 55.266 0.048 . 385 . 43 GLN CB C 29.634 0.065 . 386 . 43 GLN CG C 32.63 0.021 . 387 . 43 GLN H H 7.268 0.009 . 388 . 43 GLN HA H 3.993 0.005 . 389 . 43 GLN N N 117.656 0.057 . 390 . 44 GLY HA2 H 4.057 0.003 . 391 . 44 GLY HA3 H 3.639 0.000 . 392 . 44 GLY C C 174.646 0.000 . 393 . 44 GLY CA C 45.463 0.107 . 394 . 44 GLY H H 7.799 0.004 . 395 . 44 GLY N N 105.424 0.043 . 396 . 45 TYR HB2 H 2.283 0.015 . 397 . 45 TYR HD1 H 7.317 0.005 . 398 . 45 TYR HE1 H 6.869 0.005 . 399 . 45 TYR HB3 H 3.096 0.013 . 400 . 45 TYR C C 173.896 0.000 . 401 . 45 TYR CA C 59.053 0.09 . 402 . 45 TYR CB C 38.714 0.064 . 403 . 45 TYR CD1 C 133.895 0.064 . 404 . 45 TYR CE1 C 118.88 0.03 . 405 . 45 TYR H H 7.348 0.004 . 406 . 45 TYR HA H 4.534 0.004 . 407 . 45 TYR N N 119.319 0.051 . 408 . 46 HIS HB2 H 2.899 0.005 . 409 . 46 HIS HB3 H 3.151 0.012 . 410 . 46 HIS C C 174.788 0.000 . 411 . 46 HIS CA C 55.836 0.047 . 412 . 46 HIS CB C 31.726 0.093 . 413 . 46 HIS H H 8.769 0.005 . 414 . 46 HIS HA H 4.875 0.003 . 415 . 46 HIS N N 123.346 0.06 . 416 . 47 VAL HG1 H 0.872 0.006 . 417 . 47 VAL HG2 H 1.053 0.006 . 418 . 47 VAL C C 173.862 0.000 . 419 . 47 VAL CA C 64.749 0.088 . 420 . 47 VAL CB C 33.411 0.031 . 421 . 47 VAL CG1 C 21.883 0.025 . 422 . 47 VAL CG2 C 24.644 0.021 . 423 . 47 VAL H H 8.11 0.006 . 424 . 47 VAL HA H 4.041 0.008 . 425 . 47 VAL HB H 1.918 0.005 . 426 . 47 VAL N N 130.707 0.08 . 427 . 48 VAL HG1 H 0.955 0.005 . 428 . 48 VAL HG2 H 1.128 0.011 . 429 . 48 VAL C C 175.728 0.000 . 430 . 48 VAL CA C 61.07 0.104 . 431 . 48 VAL CB C 32.661 0.073 . 432 . 48 VAL CG1 C 21.861 0.048 . 433 . 48 VAL CG2 C 21.909 0.024 . 434 . 48 VAL H H 9.361 0.005 . 435 . 48 VAL HA H 5.123 0.003 . 436 . 48 VAL HB H 2.229 0.009 . 437 . 48 VAL N N 129.09 0.05 . 438 . 49 GLY HA2 H 5.137 0.004 . 439 . 49 GLY HA3 H 3.687 0.004 . 440 . 49 GLY C C 172.923 0.000 . 441 . 49 GLY CA C 44.485 0.071 . 442 . 49 GLY H H 9.803 0.006 . 443 . 49 GLY N N 112.654 0.052 . 444 . 50 ALA HB H 1.632 0.001 . 445 . 50 ALA C C 175.462 0.000 . 446 . 50 ALA CA C 52.076 0.108 . 447 . 50 ALA CB C 23.217 0.072 . 448 . 50 ALA H H 7.491 0.004 . 449 . 50 ALA HA H 5.776 0.006 . 450 . 50 ALA N N 122.902 0.056 . 451 . 51 GLU HB2 H 1.311 0.004 . 452 . 51 GLU HG2 H 2.229 0.003 . 453 . 51 GLU HB3 H 2.83 0.015 . 454 . 51 GLU HG3 H 2.387 0.008 . 455 . 51 GLU C C 174.411 0.000 . 456 . 51 GLU CA C 55.108 0.065 . 457 . 51 GLU CB C 35.03 0.17 . 458 . 51 GLU CG C 37.269 0.038 . 459 . 51 GLU H H 8.731 0.004 . 460 . 51 GLU HA H 4.875 0.005 . 461 . 51 GLU N N 126.015 0.041 . 462 . 52 LEU HB2 H 1.735 0.008 . 463 . 52 LEU HD1 H 1.023 0.009 . 464 . 52 LEU HD2 H 1.084 0.008 . 465 . 52 LEU C C 177.842 0.000 . 466 . 52 LEU CA C 57.641 0.182 . 467 . 52 LEU CB C 44.415 0.087 . 468 . 52 LEU CD1 C 24.509 0.068 . 469 . 52 LEU CD2 C 25.556 0.061 . 470 . 52 LEU CG C 28.055 0.108 . 471 . 52 LEU H H 8.435 0.008 . 472 . 52 LEU HA H 4.53 0.008 . 473 . 52 LEU HG H 1.779 0.001 . 474 . 52 LEU N N 127.529 0.086 . 475 . 53 SER HB2 H 3.927 0.004 . 476 . 53 SER HB3 H 4.177 0.001 . 477 . 53 SER C C 174.845 0.000 . 478 . 53 SER CA C 57.422 0.077 . 479 . 53 SER CB C 63.674 0.044 . 480 . 53 SER H H 9.555 0.009 . 481 . 53 SER HA H 4.556 0.003 . 482 . 53 SER N N 113.029 0.045 . 483 . 54 GLU HB2 H 2.107 0.007 . 484 . 54 GLU HG2 H 2.489 0.005 . 485 . 54 GLU C C 177.67 0.000 . 486 . 54 GLU CA C 60.152 0.128 . 487 . 54 GLU CB C 30.166 0.082 . 488 . 54 GLU CG C 36.976 0.021 . 489 . 54 GLU H H 8.792 0.005 . 490 . 54 GLU HA H 4.082 0.013 . 491 . 54 GLU N N 132.159 0.062 . 492 . 55 ALA HB H 1.345 0.011 . 493 . 55 ALA C C 180.854 0.000 . 494 . 55 ALA CA C 55.524 0.044 . 495 . 55 ALA CB C 18.795 0.091 . 496 . 55 ALA H H 8.116 0.003 . 497 . 55 ALA HA H 4.135 0.004 . 498 . 55 ALA N N 119.964 0.045 . 499 . 56 ALA HB H 1.345 0.002 . 500 . 56 ALA C C 178.39 0.000 . 501 . 56 ALA CA C 55.54 0.051 . 502 . 56 ALA CB C 18.395 0.097 . 503 . 56 ALA H H 7.567 0.003 . 504 . 56 ALA HA H 4.024 0.003 . 505 . 56 ALA N N 120.889 0.065 . 506 . 57 VAL HG1 H 0.384 0.011 . 507 . 57 VAL HG2 H 0.868 0.007 . 508 . 57 VAL C C 177.844 0.000 . 509 . 57 VAL CA C 67.29 0.05 . 510 . 57 VAL CB C 31.918 0.109 . 511 . 57 VAL CG1 C 22.357 0.054 . 512 . 57 VAL CG2 C 24.484 0.037 . 513 . 57 VAL H H 7.282 0.004 . 514 . 57 VAL HA H 3.26 0.005 . 515 . 57 VAL HB H 1.763 0.002 . 516 . 57 VAL N N 118.521 0.042 . 517 . 58 GLU HB2 H 2.142 0.006 . 518 . 58 GLU HG2 H 2.349 0.007 . 519 . 58 GLU HG3 H 2.565 0.006 . 520 . 58 GLU C C 180.171 0.000 . 521 . 58 GLU CA C 60.732 0.031 . 522 . 58 GLU CB C 30.066 0.056 . 523 . 58 GLU CG C 37.479 0.017 . 524 . 58 GLU H H 8.598 0.005 . 525 . 58 GLU HA H 4.025 0.008 . 526 . 58 GLU N N 117.554 0.044 . 527 . 59 ARG HB2 H 1.982 0.003 . 528 . 59 ARG HD2 H 3.193 0.007 . 529 . 59 ARG HG2 H 1.747 0.005 . 530 . 59 ARG C C 177.619 0.000 . 531 . 59 ARG CA C 58.813 0.077 . 532 . 59 ARG CB C 29.996 0.079 . 533 . 59 ARG CD C 43.61 0.073 . 534 . 59 ARG CG C 27.521 0.05 . 535 . 59 ARG H H 7.836 0.003 . 536 . 59 ARG HA H 4.165 0.011 . 537 . 59 ARG N N 119.476 0.051 . 538 . 60 TYR HB2 H 2.803 0.008 . 539 . 60 TYR HD1 H 5.908 0.009 . 540 . 60 TYR HE1 H 6.208 0.003 . 541 . 60 TYR HB3 H 3.075 0.015 . 542 . 60 TYR C C 177.568 0.000 . 543 . 60 TYR CA C 62.467 0.05 . 544 . 60 TYR CB C 37.764 0.076 . 545 . 60 TYR CD1 C 133.356 0.084 . 546 . 60 TYR CE1 C 118.721 0.091 . 547 . 60 TYR H H 8.219 0.004 . 548 . 60 TYR HA H 3.916 0.006 . 549 . 60 TYR N N 120.614 0.04 . 550 . 61 PHE HB2 H 3.087 0.011 . 551 . 61 PHE HD1 H 7.504 0.003 . 552 . 61 PHE HE1 H 7.229 0.004 . 553 . 61 PHE HB3 H 3.536 0.01 . 554 . 61 PHE C C 178.523 0.000 . 555 . 61 PHE CA C 64.066 0.07 . 556 . 61 PHE CB C 38.762 0.067 . 557 . 61 PHE CD1 C 132.74 0.061 . 558 . 61 PHE CE1 C 132.805 0.034 . 559 . 61 PHE CZ C 133.124 0.082 . 560 . 61 PHE H H 7.459 0.004 . 561 . 61 PHE HA H 3.825 0.011 . 562 . 61 PHE HZ H 6.837 0.003 . 563 . 61 PHE N N 114.682 0.053 . 564 . 62 THR HG2 H 1.306 0.001 . 565 . 62 THR C C 178.504 0.000 . 566 . 62 THR CA C 67.288 0.079 . 567 . 62 THR CB C 69.026 0.088 . 568 . 62 THR CG2 C 22.364 0.046 . 569 . 62 THR H H 8.592 0.003 . 570 . 62 THR HA H 4.127 0.006 . 571 . 62 THR HB H 4.309 0.013 . 572 . 62 THR N N 118.147 0.046 . 573 . 63 GLU HB2 H 1.896 0.008 . 574 . 63 GLU HG2 H 2.232 0.005 . 575 . 63 GLU HB3 H 2.033 0.002 . 576 . 63 GLU HG3 H 2.46 0.01 . 577 . 63 GLU C C 178.178 0.000 . 578 . 63 GLU CA C 59.795 0.015 . 579 . 63 GLU CB C 29.584 0.091 . 580 . 63 GLU CG C 37.57 0.045 . 581 . 63 GLU H H 8.581 0.005 . 582 . 63 GLU HA H 3.979 0.004 . 583 . 63 GLU N N 122.431 0.071 . 584 . 64 ARG HB2 H 1.433 0.017 . 585 . 64 ARG HD2 H 2.489 0.007 . 586 . 64 ARG HG2 H 1.394 0.003 . 587 . 64 ARG HB3 H 1.792 0.008 . 588 . 64 ARG HD3 H 2.825 0.008 . 589 . 64 ARG C C 176.688 0.000 . 590 . 64 ARG CA C 57.001 0.038 . 591 . 64 ARG CB C 31.585 0.034 . 592 . 64 ARG CD C 43.555 0.05 . 593 . 64 ARG CG C 27.69 0.04 . 594 . 64 ARG H H 7.392 0.003 . 595 . 64 ARG HA H 4.109 0.003 . 596 . 64 ARG N N 117.456 0.042 . 597 . 65 GLY HA2 H 3.872 0.000 . 598 . 65 GLY HA3 H 4.034 0.005 . 599 . 65 GLY C C 174.283 0.000 . 600 . 65 GLY CA C 46.585 0.052 . 601 . 65 GLY H H 7.928 0.002 . 602 . 65 GLY N N 108.393 0.063 . 603 . 66 GLU HB2 H 1.878 0.008 . 604 . 66 GLU HG2 H 2.174 0.008 . 605 . 66 GLU HB3 H 1.967 0.008 . 606 . 66 GLU C C 174.737 0.000 . 607 . 66 GLU CA C 54.883 0.042 . 608 . 66 GLU CB C 34.38 0.14 . 609 . 66 GLU CG C 36.648 0.064 . 610 . 66 GLU H H 7.658 0.003 . 611 . 66 GLU HA H 4.659 0.004 . 612 . 66 GLU N N 118.713 0.038 . 613 . 67 GLN HB2 H 2.018 0.008 . 614 . 67 GLN HG2 H 2.329 0.002 . 615 . 67 GLN CA C 53.083 0.121 . 616 . 67 GLN CB C 29.605 0.006 . 617 . 67 GLN H H 8.85 0.005 . 618 . 67 GLN HA H 4.761 0.006 . 619 . 67 GLN N N 124.196 0.044 . 620 . 68 PRO HB2 H 0.438 0.01 . 621 . 68 PRO HD2 H 3.6 0.006 . 622 . 68 PRO HG2 H 1.642 0.016 . 623 . 68 PRO HB3 H 1.235 0.007 . 624 . 68 PRO HD3 H 3.869 0.007 . 625 . 68 PRO HG3 H 1.8 0.009 . 626 . 68 PRO C C 175.564 0.000 . 627 . 68 PRO CA C 62.36 0.031 . 628 . 68 PRO CB C 31.879 0.064 . 629 . 68 PRO CD C 51.001 0.039 . 630 . 68 PRO CG C 27.064 0.062 . 631 . 68 PRO HA H 4.32 0.013 . 632 . 69 HIS HB2 H 3.031 0.001 . 633 . 69 HIS C C 175.025 0.000 . 634 . 69 HIS CA C 55.986 0.058 . 635 . 69 HIS CB C 31.374 0.03 . 636 . 69 HIS H H 9.249 0.004 . 637 . 69 HIS HA H 4.688 0.000 . 638 . 69 HIS N N 121.06 0.045 . 639 . 70 ILE HD1 H 0.534 0.008 . 640 . 70 ILE HG12 H -0.423 0.01 . 641 . 70 ILE HG2 H 0.234 0.007 . 642 . 70 ILE HG13 H 0.926 0.005 . 643 . 70 ILE C C 176.331 0.000 . 644 . 70 ILE CA C 61.393 0.066 . 645 . 70 ILE CB C 40.119 0.042 . 646 . 70 ILE CD1 C 15.071 0.129 . 647 . 70 ILE CG1 C 27.187 0.098 . 648 . 70 ILE CG2 C 17.556 0.053 . 649 . 70 ILE H H 8.416 0.011 . 650 . 70 ILE HA H 4.732 0.009 . 651 . 70 ILE HB H 1.238 0.002 . 652 . 70 ILE N N 128.459 0.035 . 653 . 71 THR HG2 H 1.048 0.01 . 654 . 71 THR C C 173.403 0.000 . 655 . 71 THR CA C 60.383 0.175 . 656 . 71 THR CB C 72.376 0.071 . 657 . 71 THR CG2 C 22.472 0.131 . 658 . 71 THR H H 8.711 0.004 . 659 . 71 THR HA H 4.51 0.007 . 660 . 71 THR HB H 3.953 0.008 . 661 . 71 THR N N 120.509 0.043 . 662 . 72 SER HB2 H 3.756 0.000 . 663 . 72 SER HB3 H 3.867 0.001 . 664 . 72 SER C C 173.985 0.000 . 665 . 72 SER CA C 58.48 0.047 . 666 . 72 SER CB C 64.439 0.053 . 667 . 72 SER H H 8.639 0.006 . 668 . 72 SER HA H 5.003 0.002 . 669 . 72 SER N N 118.433 0.045 . 670 . 73 GLN HB2 H 1.794 0.004 . 671 . 73 GLN HG2 H 2.212 0.002 . 672 . 73 GLN C C 175.357 0.000 . 673 . 73 GLN CA C 55.138 0.05 . 674 . 73 GLN CB C 30.91 0.073 . 675 . 73 GLN CG C 33.892 0.015 . 676 . 73 GLN H H 8.362 0.005 . 677 . 73 GLN HA H 4.656 0.003 . 678 . 73 GLN N N 126.323 0.05 . 679 . 74 GLY HA2 H 3.761 0.001 . 680 . 74 GLY HA3 H 4.213 0.007 . 681 . 74 GLY C C 175.627 0.000 . 682 . 74 GLY CA C 47.698 0.048 . 683 . 74 GLY H H 8.96 0.005 . 684 . 74 GLY N N 115.561 0.039 . 685 . 75 ASP HB2 H 2.21 0.008 . 686 . 75 ASP HB3 H 2.73 0.003 . 687 . 75 ASP C C 175.163 0.000 . 688 . 75 ASP CA C 55.374 0.087 . 689 . 75 ASP CB C 41.11 0.04 . 690 . 75 ASP H H 9.233 0.005 . 691 . 75 ASP HA H 4.741 0.002 . 692 . 75 ASP N N 127.932 0.034 . 693 . 76 PHE HB2 H 2.876 0.008 . 694 . 76 PHE HB3 H 3.37 0.001 . 695 . 76 PHE C C 176.576 0.000 . 696 . 76 PHE CA C 58.772 0.047 . 697 . 76 PHE CB C 43.56 0.05 . 698 . 76 PHE H H 8.413 0.004 . 699 . 76 PHE HA H 4.996 0.005 . 700 . 76 PHE N N 118.106 0.059 . 701 . 77 LYS HB2 H 1.638 0.008 . 702 . 77 LYS HD2 H 1.645 0.009 . 703 . 77 LYS HE2 H 2.905 0.005 . 704 . 77 LYS HG2 H 1.343 0.007 . 705 . 77 LYS HB3 H 1.777 0.012 . 706 . 77 LYS HG3 H 1.55 0.006 . 707 . 77 LYS C C 174.715 0.000 . 708 . 77 LYS CA C 55.821 0.072 . 709 . 77 LYS CB C 35.574 0.06 . 710 . 77 LYS CD C 29.859 0.034 . 711 . 77 LYS CE C 42.451 0.078 . 712 . 77 LYS CG C 25.39 0.027 . 713 . 77 LYS H H 8.411 0.003 . 714 . 77 LYS HA H 4.891 0.007 . 715 . 77 LYS N N 122.391 0.034 . 716 . 78 VAL HG1 H -0.647 0.008 . 717 . 78 VAL HG2 H 0.022 0.003 . 718 . 78 VAL C C 175.416 0.000 . 719 . 78 VAL CA C 62.16 0.111 . 720 . 78 VAL CB C 32.067 0.064 . 721 . 78 VAL CG1 C 19.597 0.073 . 722 . 78 VAL CG2 C 20.288 0.022 . 723 . 78 VAL H H 9.135 0.005 . 724 . 78 VAL HA H 4.531 0.005 . 725 . 78 VAL HB H 1.497 0.001 . 726 . 78 VAL N N 126.086 0.047 . 727 . 79 TYR HB2 H 2.379 0.003 . 728 . 79 TYR HB3 H 3.148 0.009 . 729 . 79 TYR C C 174.935 0.000 . 730 . 79 TYR CA C 57.031 0.066 . 731 . 79 TYR CB C 41.731 0.088 . 732 . 79 TYR H H 9.251 0.006 . 733 . 79 TYR HA H 4.627 0.005 . 734 . 79 TYR N N 130.16 0.05 . 735 . 80 ALA HB H 1.479 0.002 . 736 . 80 ALA C C 175.4 0.000 . 737 . 80 ALA CA C 51.701 0.071 . 738 . 80 ALA CB C 24.001 0.121 . 739 . 80 ALA H H 8.93 0.004 . 740 . 80 ALA HA H 5.52 0.001 . 741 . 80 ALA N N 124.42 0.04 . 742 . 81 ALA HB H 1.457 0.003 . 743 . 81 ALA CA C 51.354 0.089 . 744 . 81 ALA CB C 20.642 0.134 . 745 . 81 ALA H H 9.221 0.002 . 746 . 81 ALA HA H 4.77 0.002 . 747 . 81 ALA N N 125.317 0.073 . 748 . 82 PRO HB2 H 2.277 0.01 . 749 . 82 PRO HD2 H 3.779 0.000 . 750 . 82 PRO HG2 H 2.002 0.011 . 751 . 82 PRO C C 178.539 0.000 . 752 . 82 PRO CA C 66.373 0.038 . 753 . 82 PRO CB C 31.278 0.071 . 754 . 82 PRO CD C 50.655 0.000 . 755 . 82 PRO CG C 29.014 0.014 . 756 . 82 PRO HA H 4.404 0.004 . 757 . 83 GLY HA2 H 3.94 0.008 . 758 . 83 GLY HA3 H 4.242 0.000 . 759 . 83 GLY C C 173.393 0.000 . 760 . 83 GLY CA C 47.056 0.072 . 761 . 83 GLY H H 9.069 0.006 . 762 . 83 GLY N N 114.2 0.045 . 763 . 84 ILE HD1 H 0.799 0.008 . 764 . 84 ILE HG12 H 0.822 0.005 . 765 . 84 ILE HG2 H 0.974 0.002 . 766 . 84 ILE HG13 H 1.553 0.003 . 767 . 84 ILE C C 172.596 0.000 . 768 . 84 ILE CA C 60.454 0.091 . 769 . 84 ILE CB C 42.386 0.072 . 770 . 84 ILE CD1 C 16.569 0.016 . 771 . 84 ILE CG1 C 30.363 0.04 . 772 . 84 ILE CG2 C 17.098 0.02 . 773 . 84 ILE H H 8.629 0.003 . 774 . 84 ILE HA H 5.161 0.006 . 775 . 84 ILE HB H 1.786 0.006 . 776 . 84 ILE N N 119.402 0.043 . 777 . 85 GLU HB2 H 2.062 0.007 . 778 . 85 GLU HG2 H 2.566 0.007 . 779 . 85 GLU HB3 H 2.266 0.008 . 780 . 85 GLU HG3 H 2.806 0.013 . 781 . 85 GLU C C 174.121 0.000 . 782 . 85 GLU CA C 54.86 0.088 . 783 . 85 GLU CB C 34.457 0.098 . 784 . 85 GLU CG C 38.662 0.04 . 785 . 85 GLU H H 9.223 0.005 . 786 . 85 GLU HA H 5.606 0.009 . 787 . 85 GLU N N 125.056 0.078 . 788 . 86 ILE HD1 H 0.553 0.006 . 789 . 86 ILE HG12 H 0.873 0.009 . 790 . 86 ILE HG2 H 0.755 0.003 . 791 . 86 ILE HG13 H 1.624 0.008 . 792 . 86 ILE C C 174.745 0.000 . 793 . 86 ILE CA C 61.125 0.064 . 794 . 86 ILE CB C 41.223 0.077 . 795 . 86 ILE CD1 C 14.577 0.06 . 796 . 86 ILE CG1 C 28.394 0.035 . 797 . 86 ILE CG2 C 19.376 0.046 . 798 . 86 ILE H H 9.705 0.006 . 799 . 86 ILE HA H 4.797 0.003 . 800 . 86 ILE HB H 1.837 0.003 . 801 . 86 ILE N N 122.03 0.043 . 802 . 87 TRP HB2 H 2.873 0.009 . 803 . 87 TRP HE1 H 11.301 0.009 . 804 . 87 TRP HB3 H 3.243 0.01 . 805 . 87 TRP HZ2 H 7.297 0.004 . 806 . 87 TRP HE3 H 6.429 0.008 . 807 . 87 TRP HZ3 H 6.568 0.008 . 808 . 87 TRP C C 175.159 0.000 . 809 . 87 TRP CA C 58.812 0.034 . 810 . 87 TRP CB C 28.564 0.05 . 811 . 87 TRP CD1 C 125.198 0.067 . 812 . 87 TRP CE3 C 120.805 0.058 . 813 . 87 TRP CH2 C 124.013 0.052 . 814 . 87 TRP CZ2 C 115.63 0.047 . 815 . 87 TRP CZ3 C 120.758 0.088 . 816 . 87 TRP H H 9.387 0.004 . 817 . 87 TRP HA H 4.202 0.003 . 818 . 87 TRP HD1 H 7.251 0.005 . 819 . 87 TRP HH2 H 6.943 0.004 . 820 . 87 TRP N N 131.287 0.045 . 821 . 87 TRP NE1 N 130.78 0.031 . 822 . 88 CYS HB2 H 2.916 0.005 . 823 . 88 CYS HB3 H 3.312 0.001 . 824 . 88 CYS C C 174.968 0.000 . 825 . 88 CYS CA C 57.73 0.062 . 826 . 88 CYS CB C 28.183 0.066 . 827 . 88 CYS H H 9.707 0.006 . 828 . 88 CYS HA H 6.073 0.005 . 829 . 88 CYS N N 127.47 0.044 . 830 . 89 GLY HA2 H 4.045 0.01 . 831 . 89 GLY HA3 H 4.226 0.013 . 832 . 89 GLY C C 171.774 0.000 . 833 . 89 GLY CA C 45.38 0.101 . 834 . 89 GLY H H 8.713 0.004 . 835 . 89 GLY N N 117.854 0.072 . 836 . 90 ASP HB2 H 2.666 0.009 . 837 . 90 ASP HB3 H 2.865 0.006 . 838 . 90 ASP C C 176.598 0.000 . 839 . 90 ASP CA C 54.53 0.076 . 840 . 90 ASP CB C 41.561 0.048 . 841 . 90 ASP H H 8.559 0.005 . 842 . 90 ASP HA H 4.576 0.004 . 843 . 90 ASP N N 121.265 0.044 . 844 . 91 PHE HB2 H 2.464 0.003 . 845 . 91 PHE HD1 H 6.479 0.005 . 846 . 91 PHE HE1 H 6.984 0.013 . 847 . 91 PHE HB3 H 3.4 0.006 . 848 . 91 PHE C C 176.22 0.000 . 849 . 91 PHE CA C 61.59 0.036 . 850 . 91 PHE CB C 41.468 0.081 . 851 . 91 PHE CD1 C 132.069 0.099 . 852 . 91 PHE CE1 C 131.24 0.053 . 853 . 91 PHE CZ C 129.544 0.078 . 854 . 91 PHE H H 8.366 0.011 . 855 . 91 PHE HA H 4.215 0.003 . 856 . 91 PHE HZ H 6.481 0.009 . 857 . 91 PHE N N 130.105 0.047 . 858 . 92 PHE HB2 H 2.934 0.007 . 859 . 92 PHE HB3 H 3.043 0.001 . 860 . 92 PHE C C 175.162 0.000 . 861 . 92 PHE CA C 61.297 0.05 . 862 . 92 PHE CB C 37.885 0.052 . 863 . 92 PHE H H 8.092 0.004 . 864 . 92 PHE HA H 3.225 0.004 . 865 . 92 PHE N N 112.136 0.034 . 866 . 93 ALA HB H 1.7 0.001 . 867 . 93 ALA C C 177.983 0.000 . 868 . 93 ALA CA C 52.061 0.075 . 869 . 93 ALA CB C 20.092 0.071 . 870 . 93 ALA H H 8.214 0.003 . 871 . 93 ALA HA H 4.574 0.004 . 872 . 93 ALA N N 121.368 0.07 . 873 . 94 LEU HB2 H 1.177 0.011 . 874 . 94 LEU HD1 H -0.045 0.006 . 875 . 94 LEU HD2 H 0.279 0.006 . 876 . 94 LEU HB3 H 1.485 0.002 . 877 . 94 LEU C C 176.768 0.000 . 878 . 94 LEU CA C 55.873 0.106 . 879 . 94 LEU CB C 45.101 0.053 . 880 . 94 LEU CD1 C 24.649 0.007 . 881 . 94 LEU CD2 C 25.068 0.065 . 882 . 94 LEU CG C 24.871 0.000 . 883 . 94 LEU H H 7.381 0.004 . 884 . 94 LEU HA H 4.069 0.002 . 885 . 94 LEU HG H 0.278 0.004 . 886 . 94 LEU N N 123.379 0.046 . 887 . 95 THR HG2 H 1.247 0.003 . 888 . 95 THR C C 175.65 0.000 . 889 . 95 THR CA C 60.408 0.018 . 890 . 95 THR CB C 73.867 0.054 . 891 . 95 THR CG2 C 21.986 0.055 . 892 . 95 THR H H 8.657 0.006 . 893 . 95 THR HA H 4.659 0.002 . 894 . 95 THR HB H 4.395 0.003 . 895 . 95 THR N N 111.822 0.058 . 896 . 96 ALA HB H 1.414 0.002 . 897 . 96 ALA C C 180.046 0.000 . 898 . 96 ALA CA C 55.242 0.028 . 899 . 96 ALA CB C 18.506 0.076 . 900 . 96 ALA H H 8.936 0.005 . 901 . 96 ALA HA H 3.981 0.002 . 902 . 96 ALA N N 123.628 0.04 . 903 . 97 ARG HB2 H 1.736 0.004 . 904 . 97 ARG HD2 H 3.187 0.003 . 905 . 97 ARG HG2 H 1.633 0.008 . 906 . 97 ARG C C 178.039 0.000 . 907 . 97 ARG CA C 58.798 0.043 . 908 . 97 ARG CB C 30.223 0.039 . 909 . 97 ARG CD C 43.697 0.036 . 910 . 97 ARG CG C 27.529 0.067 . 911 . 97 ARG H H 7.721 0.004 . 912 . 97 ARG HA H 3.887 0.002 . 913 . 97 ARG N N 117.19 0.046 . 914 . 98 ASP HB2 H 1.2 0.004 . 915 . 98 ASP HB3 H 2.073 0.004 . 916 . 98 ASP C C 176.337 0.000 . 917 . 98 ASP CA C 57.787 0.059 . 918 . 98 ASP CB C 41.908 0.084 . 919 . 98 ASP H H 7.157 0.003 . 920 . 98 ASP HA H 4.082 0.003 . 921 . 98 ASP N N 117.739 0.043 . 922 . 99 ILE HD1 H 0.883 0.003 . 923 . 99 ILE HG12 H 0.977 0.007 . 924 . 99 ILE HG2 H 0.1 0.007 . 925 . 99 ILE HG13 H 1.944 0.009 . 926 . 99 ILE C C 176.812 0.000 . 927 . 99 ILE CA C 63.513 0.1 . 928 . 99 ILE CB C 39.426 0.059 . 929 . 99 ILE CD1 C 16.702 0.109 . 930 . 99 ILE CG1 C 25.515 0.039 . 931 . 99 ILE CG2 C 18.771 0.054 . 932 . 99 ILE H H 6.402 0.003 . 933 . 99 ILE HA H 3.637 0.009 . 934 . 99 ILE HB H 1.837 0.005 . 935 . 99 ILE N N 105.717 0.031 . 936 . 100 GLY HA2 H 3.738 0.005 . 937 . 100 GLY HA3 H 3.992 0.011 . 938 . 100 GLY C C 172.389 0.000 . 939 . 100 GLY CA C 45.275 0.028 . 940 . 100 GLY H H 7.564 0.003 . 941 . 100 GLY N N 109.294 0.035 . 942 . 101 HIS HB2 H 2.964 0.008 . 943 . 101 HIS HB3 H 3.321 0.004 . 944 . 101 HIS C C 175.121 0.000 . 945 . 101 HIS CA C 57.688 0.103 . 946 . 101 HIS CB C 30.801 0.034 . 947 . 101 HIS H H 8.835 0.006 . 948 . 101 HIS HA H 4.283 0.004 . 949 . 101 HIS N N 120.008 0.028 . 950 . 102 CYS HB2 H 2.617 0.005 . 951 . 102 CYS HB3 H 3.076 0.005 . 952 . 102 CYS C C 172.064 0.000 . 953 . 102 CYS CA C 59.463 0.07 . 954 . 102 CYS CB C 29.18 0.063 . 955 . 102 CYS H H 7.749 0.006 . 956 . 102 CYS HA H 4.909 0.008 . 957 . 102 CYS N N 128.691 0.039 . 958 . 103 ALA HB H 1.639 0.005 . 959 . 103 ALA C C 177.668 0.000 . 960 . 103 ALA CA C 53.476 0.049 . 961 . 103 ALA CB C 21.413 0.073 . 962 . 103 ALA H H 8.307 0.003 . 963 . 103 ALA HA H 4.388 0.002 . 964 . 103 ALA N N 123.337 0.041 . 965 . 104 ALA HB H 1.333 0.003 . 966 . 104 ALA C C 175.709 0.000 . 967 . 104 ALA CA C 50.622 0.071 . 968 . 104 ALA CB C 25.34 0.056 . 969 . 104 ALA H H 7.934 0.004 . 970 . 104 ALA HA H 6.031 0.001 . 971 . 104 ALA N N 115.915 0.049 . 972 . 105 PHE HB2 H 3.137 0.004 . 973 . 105 PHE HD1 H 7.079 0.005 . 974 . 105 PHE HB3 H 3.291 0.012 . 975 . 105 PHE C C 172.275 0.000 . 976 . 105 PHE CA C 55.821 0.041 . 977 . 105 PHE CB C 43.849 0.096 . 978 . 105 PHE CD1 C 132.817 0.168 . 979 . 105 PHE H H 8.136 0.004 . 980 . 105 PHE HA H 6.311 0.008 . 981 . 105 PHE N N 115.307 0.07 . 982 . 106 TYR HB2 H 2.583 0.023 . 983 . 106 TYR HD1 H 7.005 0.007 . 984 . 106 TYR HE1 H 6.679 0.011 . 985 . 106 TYR HB3 H 3.058 0.011 . 986 . 106 TYR C C 173.07 0.000 . 987 . 106 TYR CA C 55.42 0.092 . 988 . 106 TYR CB C 41.603 0.104 . 989 . 106 TYR CD1 C 132.864 0.065 . 990 . 106 TYR CE1 C 118.374 0.097 . 991 . 106 TYR H H 8.833 0.006 . 992 . 106 TYR HA H 5.686 0.008 . 993 . 106 TYR N N 121.198 0.074 . 994 . 107 ASP HB2 H 2.371 0.003 . 995 . 107 ASP HB3 H 3.242 0.001 . 996 . 107 ASP C C 173.338 0.000 . 997 . 107 ASP CA C 52.705 0.047 . 998 . 107 ASP CB C 44.76 0.099 . 999 . 107 ASP H H 8.961 0.004 . 1000 . 107 ASP HA H 4.864 0.002 . 1001 . 107 ASP N N 128.87 0.044 . 1002 . 108 ARG HB2 H 1.442 0.002 . 1003 . 108 ARG HD2 H 3.276 0.000 . 1004 . 108 ARG HG2 H 1.642 0.000 . 1005 . 108 ARG HB3 H 1.764 0.004 . 1006 . 108 ARG C C 175.743 0.000 . 1007 . 108 ARG CA C 55.636 0.071 . 1008 . 108 ARG CB C 32.299 0.063 . 1009 . 108 ARG CD C 44.026 0.000 . 1010 . 108 ARG CG C 28.019 0.000 . 1011 . 108 ARG H H 7.941 0.008 . 1012 . 108 ARG HA H 4.786 0.005 . 1013 . 108 ARG N N 120.478 0.066 . 1014 . 109 ALA HB H 1.367 0.000 . 1015 . 109 ALA C C 175.85 0.000 . 1016 . 109 ALA CA C 52.037 0.068 . 1017 . 109 ALA CB C 22.014 0.049 . 1018 . 109 ALA H H 7.704 0.006 . 1019 . 109 ALA HA H 4.671 0.003 . 1020 . 109 ALA N N 121.549 0.063 . 1021 . 110 ALA HB H 1.063 0.002 . 1022 . 110 ALA C C 178.261 0.000 . 1023 . 110 ALA CA C 54.828 0.027 . 1024 . 110 ALA CB C 18.733 0.062 . 1025 . 110 ALA H H 9.056 0.005 . 1026 . 110 ALA HA H 4.329 0.001 . 1027 . 110 ALA N N 126.088 0.04 . 1028 . 111 MET HB2 H 1.964 0.005 . 1029 . 111 MET HE H 2.036 0.000 . 1030 . 111 MET HG2 H 2.345 0.002 . 1031 . 111 MET HB3 H 2.612 0.000 . 1032 . 111 MET HG3 H 2.607 0.006 . 1033 . 111 MET C C 179.395 0.000 . 1034 . 111 MET CA C 61.908 0.066 . 1035 . 111 MET CB C 32.39 0.079 . 1036 . 111 MET CE C 18.221 0.000 . 1037 . 111 MET CG C 34.501 0.011 . 1038 . 111 MET H H 9.293 0.003 . 1039 . 111 MET HA H 3.483 0.009 . 1040 . 111 MET N N 121.217 0.036 . 1041 . 112 ILE HD1 H 0.957 0.01 . 1042 . 112 ILE HG12 H 1.355 0.000 . 1043 . 112 ILE HG2 H 1.264 0.004 . 1044 . 112 ILE C C 176.009 0.000 . 1045 . 112 ILE CA C 63.215 0.099 . 1046 . 112 ILE CB C 38.955 0.075 . 1047 . 112 ILE CD1 C 14.912 0.061 . 1048 . 112 ILE CG1 C 24.829 0.000 . 1049 . 112 ILE CG2 C 18.712 0.017 . 1050 . 112 ILE H H 7.463 0.005 . 1051 . 112 ILE HA H 4.149 0.009 . 1052 . 112 ILE HB H 2.403 0.005 . 1053 . 112 ILE N N 103.463 0.055 . 1054 . 113 ALA HB H 1.593 0.013 . 1055 . 113 ALA C C 177.706 0.000 . 1056 . 113 ALA CA C 53.571 0.083 . 1057 . 113 ALA CB C 19.793 0.077 . 1058 . 113 ALA H H 7.751 0.007 . 1059 . 113 ALA HA H 4.429 0.004 . 1060 . 113 ALA N N 123.703 0.043 . 1061 . 114 LEU HB2 H 1.04 0.007 . 1062 . 114 LEU HD1 H 0.581 0.004 . 1063 . 114 LEU HD2 H 0.822 0.003 . 1064 . 114 LEU HB3 H 1.416 0.000 . 1065 . 114 LEU CA C 51.786 0.068 . 1066 . 114 LEU CB C 44.365 0.052 . 1067 . 114 LEU CD1 C 27.65 0.031 . 1068 . 114 LEU CG C 25.938 0.000 . 1069 . 114 LEU H H 6.995 0.004 . 1070 . 114 LEU HA H 4.802 0.003 . 1071 . 114 LEU HG H 1.789 0.005 . 1072 . 114 LEU N N 117.148 0.038 . 1073 . 115 PRO HB2 H 1.705 0.000 . 1074 . 115 PRO HB3 H 1.856 0.000 . 1075 . 115 PRO C C 176.686 0.000 . 1076 . 115 PRO CA C 61.797 0.046 . 1077 . 115 PRO CB C 32.391 0.018 . 1078 . 115 PRO CG C 27.396 0.000 . 1079 . 115 PRO HA H 3.083 0.002 . 1080 . 116 ALA HB H 1.407 0.008 . 1081 . 116 ALA C C 178.806 0.000 . 1082 . 116 ALA CA C 57.274 0.067 . 1083 . 116 ALA CB C 19.283 0.078 . 1084 . 116 ALA H H 8.252 0.004 . 1085 . 116 ALA HA H 3.367 0.007 . 1086 . 116 ALA N N 121.845 0.045 . 1087 . 117 ASP HB2 H 2.663 0.004 . 1088 . 117 ASP HB3 H 2.727 0.003 . 1089 . 117 ASP C C 178.976 0.000 . 1090 . 117 ASP CA C 57.321 0.044 . 1091 . 117 ASP CB C 39.6 0.053 . 1092 . 117 ASP H H 8.623 0.003 . 1093 . 117 ASP HA H 4.418 0.001 . 1094 . 117 ASP N N 115.62 0.061 . 1095 . 118 MET HB2 H 1.949 0.003 . 1096 . 118 MET HE H 1.921 0.000 . 1097 . 118 MET HG2 H 2.571 0.003 . 1098 . 118 MET HB3 H 2.06 0.009 . 1099 . 118 MET HG3 H 2.694 0.006 . 1100 . 118 MET C C 177.726 0.000 . 1101 . 118 MET CA C 56.577 0.086 . 1102 . 118 MET CB C 33.708 0.015 . 1103 . 118 MET CE C 17.104 0.000 . 1104 . 118 MET CG C 32.698 0.006 . 1105 . 118 MET H H 7.737 0.003 . 1106 . 118 MET HA H 4.452 0.007 . 1107 . 118 MET N N 121.35 0.068 . 1108 . 119 ARG HB2 H 1.709 0.000 . 1109 . 119 ARG C C 178.762 0.000 . 1110 . 119 ARG CA C 59.95 0.079 . 1111 . 119 ARG CB C 31.089 0.056 . 1112 . 119 ARG CG C 28.31 0.000 . 1113 . 119 ARG H H 8.751 0.005 . 1114 . 119 ARG HA H 3.977 0.000 . 1115 . 119 ARG N N 122.82 0.05 . 1116 . 120 GLU HB2 H 2.333 0.003 . 1117 . 120 GLU HG2 H 2.368 0.005 . 1118 . 120 GLU HG3 H 2.698 0.009 . 1119 . 120 GLU C C 178.761 0.000 . 1120 . 120 GLU CA C 61.489 0.052 . 1121 . 120 GLU CB C 30.013 0.07 . 1122 . 120 GLU CG C 38.192 0.019 . 1123 . 120 GLU H H 8.402 0.003 . 1124 . 120 GLU HA H 4.201 0.004 . 1125 . 120 GLU N N 118.993 0.038 . 1126 . 121 ARG HB2 H 1.994 0.003 . 1127 . 121 ARG HD2 H 2.916 0.007 . 1128 . 121 ARG HG2 H 1.634 0.005 . 1129 . 121 ARG HB3 H 2.058 0.004 . 1130 . 121 ARG HD3 H 3.08 0.002 . 1131 . 121 ARG HG3 H 1.833 0.005 . 1132 . 121 ARG C C 179.524 0.000 . 1133 . 121 ARG CA C 59.886 0.026 . 1134 . 121 ARG CB C 30.221 0.101 . 1135 . 121 ARG CD C 44.021 0.071 . 1136 . 121 ARG CG C 27.862 0.044 . 1137 . 121 ARG H H 7.509 0.003 . 1138 . 121 ARG HA H 4.228 0.006 . 1139 . 121 ARG N N 119.904 0.054 . 1140 . 122 TYR HB2 H 3.315 0.121 . 1141 . 122 TYR HB3 H 3.549 0.004 . 1142 . 122 TYR C C 175.736 0.000 . 1143 . 122 TYR CA C 62.449 0.081 . 1144 . 122 TYR CB C 39.27 0.077 . 1145 . 122 TYR H H 8.743 0.005 . 1146 . 122 TYR HA H 4.588 0.007 . 1147 . 122 TYR N N 122.068 0.046 . 1148 . 123 VAL HG1 H 0.836 0.006 . 1149 . 123 VAL HG2 H 1.184 0.003 . 1150 . 123 VAL C C 177.176 0.000 . 1151 . 123 VAL CA C 68.014 0.029 . 1152 . 123 VAL CB C 32.162 0.085 . 1153 . 123 VAL CG1 C 22.998 0.83 . 1154 . 123 VAL CG2 C 24.052 0.678 . 1155 . 123 VAL H H 8.099 0.004 . 1156 . 123 VAL HA H 3.063 0.005 . 1157 . 123 VAL HB H 2.167 0.005 . 1158 . 123 VAL N N 120.081 0.041 . 1159 . 124 GLN HB2 H 2.208 0.007 . 1160 . 124 GLN HG2 H 2.512 0.002 . 1161 . 124 GLN HB3 H 2.316 0.005 . 1162 . 124 GLN HG3 H 2.654 0.003 . 1163 . 124 GLN C C 179.04 0.000 . 1164 . 124 GLN CA C 59.405 0.086 . 1165 . 124 GLN CB C 28.726 0.178 . 1166 . 124 GLN CG C 34.693 0.014 . 1167 . 124 GLN H H 7.797 0.003 . 1168 . 124 GLN HA H 4.136 0.004 . 1169 . 124 GLN N N 116.832 0.053 . 1170 . 125 HIS HB2 H 3.097 0.003 . 1171 . 125 HIS HB3 H 3.3 0.003 . 1172 . 125 HIS C C 177.2 0.000 . 1173 . 125 HIS CA C 60.013 0.075 . 1174 . 125 HIS CB C 31.876 0.032 . 1175 . 125 HIS H H 8.605 0.003 . 1176 . 125 HIS HA H 4.642 0.008 . 1177 . 125 HIS N N 121.943 0.047 . 1178 . 126 LEU HB2 H 1.119 0.003 . 1179 . 126 LEU HD1 H -0.131 0.009 . 1180 . 126 LEU HD2 H 0.164 0.004 . 1181 . 126 LEU HB3 H 1.376 0.007 . 1182 . 126 LEU C C 179.087 0.000 . 1183 . 126 LEU CA C 59.161 0.03 . 1184 . 126 LEU CB C 42.503 0.073 . 1185 . 126 LEU CD1 C 23.411 0.024 . 1186 . 126 LEU CD2 C 23.695 0.038 . 1187 . 126 LEU CG C 26.684 0.043 . 1188 . 126 LEU H H 8.873 0.004 . 1189 . 126 LEU HA H 3.598 0.004 . 1190 . 126 LEU HG H 0.934 0.005 . 1191 . 126 LEU N N 121.239 0.054 . 1192 . 127 GLU HB2 H 1.875 0.009 . 1193 . 127 GLU HG2 H 2.278 0.013 . 1194 . 127 GLU HB3 H 2.364 0.014 . 1195 . 127 GLU HG3 H 2.888 0.007 . 1196 . 127 GLU C C 178.206 0.000 . 1197 . 127 GLU CA C 59.741 0.054 . 1198 . 127 GLU CB C 30.048 0.102 . 1199 . 127 GLU CG C 39.173 0.025 . 1200 . 127 GLU H H 8.129 0.004 . 1201 . 127 GLU HA H 3.713 0.011 . 1202 . 127 GLU N N 115.113 0.058 . 1203 . 128 ALA HB H 1.462 0.004 . 1204 . 128 ALA C C 180.189 0.000 . 1205 . 128 ALA CA C 54.399 0.016 . 1206 . 128 ALA CB C 18.986 0.039 . 1207 . 128 ALA H H 7.459 0.004 . 1208 . 128 ALA HA H 4.21 0.002 . 1209 . 128 ALA N N 120.719 0.041 . 1210 . 129 LEU HB2 H 1.176 0.004 . 1211 . 129 LEU HD1 H 0.135 0.01 . 1212 . 129 LEU HD2 H 0.163 0.008 . 1213 . 129 LEU HB3 H 1.536 0.007 . 1214 . 129 LEU C C 176.524 0.000 . 1215 . 129 LEU CA C 57.062 0.054 . 1216 . 129 LEU CB C 43.848 0.03 . 1217 . 129 LEU CD1 C 26.875 0.043 . 1218 . 129 LEU CD2 C 22.405 0.034 . 1219 . 129 LEU CG C 26.391 0.000 . 1220 . 129 LEU H H 7.962 0.005 . 1221 . 129 LEU HA H 3.75 0.007 . 1222 . 129 LEU HG H 0.934 0.005 . 1223 . 129 LEU N N 120.65 0.041 . 1224 . 130 MET HB2 H 1.848 0.009 . 1225 . 130 MET HE H 2.112 0.000 . 1226 . 130 MET HG2 H 2.541 0.006 . 1227 . 130 MET HB3 H 2.668 0.006 . 1228 . 130 MET HG3 H 2.779 0.004 . 1229 . 130 MET CA C 51.591 0.038 . 1230 . 130 MET CB C 31.271 0.053 . 1231 . 130 MET CE C 18.319 0.000 . 1232 . 130 MET CG C 33.352 0.011 . 1233 . 130 MET H H 7.501 0.003 . 1234 . 130 MET HA H 5.065 0.006 . 1235 . 130 MET N N 115.66 0.059 . 1236 . 131 PRO HB2 H 2.089 0.003 . 1237 . 131 PRO HD2 H 3.501 0.004 . 1238 . 131 PRO HG2 H 1.403 0.005 . 1239 . 131 PRO HB3 H 2.244 0.002 . 1240 . 131 PRO HD3 H 4.171 0.002 . 1241 . 131 PRO HG3 H 1.553 0.003 . 1242 . 131 PRO C C 176.412 0.000 . 1243 . 131 PRO CA C 62.616 0.028 . 1244 . 131 PRO CB C 32.924 0.011 . 1245 . 131 PRO CD C 51.75 0.026 . 1246 . 131 PRO CG C 27.894 0.015 . 1247 . 131 PRO HA H 4.511 0.003 . 1248 . 132 GLN HB2 H 1.977 0.005 . 1249 . 132 GLN HG2 H 2.342 0.002 . 1250 . 132 GLN C C 174.906 0.000 . 1251 . 132 GLN CA C 58.923 0.051 . 1252 . 132 GLN CB C 29.107 0.066 . 1253 . 132 GLN CG C 34.417 0.033 . 1254 . 132 GLN H H 8.331 0.006 . 1255 . 132 GLN HA H 3.558 0.004 . 1256 . 132 GLN N N 118.16 0.04 . 1257 . 133 ALA HB H 1.332 0.002 . 1258 . 133 ALA C C 176.125 0.000 . 1259 . 133 ALA CA C 50.997 0.028 . 1260 . 133 ALA CB C 19.803 0.118 . 1261 . 133 ALA H H 7.469 0.004 . 1262 . 133 ALA HA H 4.954 0.004 . 1263 . 133 ALA N N 119.263 0.045 . 1264 . 134 CYS HB2 H 2.784 0.003 . 1265 . 134 CYS HB3 H 3.322 0.002 . 1266 . 134 CYS C C 171.877 0.000 . 1267 . 134 CYS CA C 57.692 0.144 . 1268 . 134 CYS CB C 30.428 0.051 . 1269 . 134 CYS H H 8.262 0.005 . 1270 . 134 CYS HA H 4.992 0.004 . 1271 . 134 CYS N N 116.394 0.061 . 1272 . 135 SER HB2 H 3.502 0.004 . 1273 . 135 SER HB3 H 4.098 0.008 . 1274 . 135 SER C C 172.326 0.000 . 1275 . 135 SER CA C 57.048 0.034 . 1276 . 135 SER CB C 67.555 0.074 . 1277 . 135 SER H H 7.602 0.004 . 1278 . 135 SER HA H 5.731 0.002 . 1279 . 135 SER N N 113.198 0.053 . 1280 . 136 GLY HA2 H 4.393 0.000 . 1281 . 136 GLY HA3 H 2.067 0.004 . 1282 . 136 GLY C C 170.275 0.000 . 1283 . 136 GLY CA C 45.583 0.058 . 1284 . 136 GLY H H 8.819 0.005 . 1285 . 136 GLY N N 105.698 0.04 . 1286 . 137 LEU HB2 H 1.546 0.007 . 1287 . 137 LEU HD1 H 0.887 0.005 . 1288 . 137 LEU HD2 H 1.081 0.001 . 1289 . 137 LEU HB3 H 2.287 0.006 . 1290 . 137 LEU C C 173.046 0.000 . 1291 . 137 LEU CA C 54.043 0.083 . 1292 . 137 LEU CB C 46.882 0.041 . 1293 . 137 LEU CD1 C 25.5 0.037 . 1294 . 137 LEU CD2 C 27.906 0.016 . 1295 . 137 LEU CG C 28.44 0.086 . 1296 . 137 LEU H H 7.715 0.007 . 1297 . 137 LEU HA H 5.324 0.005 . 1298 . 137 LEU HG H 1.629 0.009 . 1299 . 137 LEU N N 121.586 0.049 . 1300 . 138 LEU HB2 H 1.29 0.008 . 1301 . 138 LEU HD1 H 0.689 0.003 . 1302 . 138 LEU HD2 H 1.131 0.006 . 1303 . 138 LEU HB3 H 1.789 0.01 . 1304 . 138 LEU C C 173.801 0.000 . 1305 . 138 LEU CA C 53.657 0.087 . 1306 . 138 LEU CB C 48.644 0.101 . 1307 . 138 LEU CD1 C 27.65 0.005 . 1308 . 138 LEU CD2 C 24.082 0.068 . 1309 . 138 LEU CG C 27.886 0.135 . 1310 . 138 LEU H H 9.102 0.005 . 1311 . 138 LEU HA H 5.567 0.005 . 1312 . 138 LEU HG H 1.697 0.007 . 1313 . 138 LEU N N 130.028 0.044 . 1314 . 139 ILE HD1 H 1.081 0.005 . 1315 . 139 ILE HG12 H 1.243 0.003 . 1316 . 139 ILE HG2 H 1.041 0.004 . 1317 . 139 ILE HG13 H 1.693 0.007 . 1318 . 139 ILE C C 176.214 0.000 . 1319 . 139 ILE CA C 60.764 0.04 . 1320 . 139 ILE CB C 40.121 0.069 . 1321 . 139 ILE CD1 C 14.995 0.061 . 1322 . 139 ILE CG1 C 28.884 0.044 . 1323 . 139 ILE CG2 C 18.194 0.05 . 1324 . 139 ILE H H 9.069 0.005 . 1325 . 139 ILE HA H 5.546 0.005 . 1326 . 139 ILE HB H 2.004 0.008 . 1327 . 139 ILE N N 127.711 0.049 . 1328 . 140 THR HG2 H 1.244 0.000 . 1329 . 140 THR C C 173.032 0.000 . 1330 . 140 THR CA C 60.122 0.043 . 1331 . 140 THR CB C 72.224 0.067 . 1332 . 140 THR CG2 C 23.335 0.021 . 1333 . 140 THR H H 9.299 0.01 . 1334 . 140 THR HA H 4.8 0.001 . 1335 . 140 THR HB H 4.458 0.002 . 1336 . 140 THR N N 115.441 0.06 . 1337 . 141 LEU HB2 H 1.556 0.01 . 1338 . 141 LEU HD1 H 0.88 0.006 . 1339 . 141 LEU HB3 H 1.699 0.005 . 1340 . 141 LEU C C 175.465 0.000 . 1341 . 141 LEU CA C 53.7 0.049 . 1342 . 141 LEU CB C 47.976 0.065 . 1343 . 141 LEU CD1 C 25.576 0.023 . 1344 . 141 LEU CG C 25.69 0.000 . 1345 . 141 LEU H H 6.346 0.006 . 1346 . 141 LEU HA H 5.559 0.003 . 1347 . 141 LEU N N 116.991 0.047 . 1348 . 142 GLU C C 174.552 0.000 . 1349 . 142 GLU CA C 56.056 0.000 . 1350 . 142 GLU CB C 33.979 0.000 . 1351 . 142 GLU H H 9.347 0.004 . 1352 . 142 GLU N N 122.241 0.046 . 1353 . 143 TYR HB2 H 3.186 0.004 . 1354 . 143 TYR C C 173.113 0.000 . 1355 . 143 TYR CA C 56.787 0.000 . 1356 . 143 TYR CB C 40.138 0.019 . 1357 . 143 TYR H H 8.57 0.003 . 1358 . 143 TYR HA H 4.822 0.004 . 1359 . 143 TYR N N 122.097 0.052 . 1360 . 144 ASP HB2 H 2.59 0.005 . 1361 . 144 ASP HB3 H 3.088 0.005 . 1362 . 144 ASP C C 175.821 0.000 . 1363 . 144 ASP CA C 54.936 0.048 . 1364 . 144 ASP CB C 40.408 0.067 . 1365 . 144 ASP H H 8.446 0.004 . 1366 . 144 ASP HA H 4.595 0.003 . 1367 . 144 ASP N N 117.779 0.053 . 1368 . 145 GLN HB2 H 1.945 0.009 . 1369 . 145 GLN HG2 H 2.348 0.004 . 1370 . 145 GLN HB3 H 2.239 0.005 . 1371 . 145 GLN HG3 H 2.8 0.005 . 1372 . 145 GLN C C 176.194 0.000 . 1373 . 145 GLN CA C 56.009 0.095 . 1374 . 145 GLN CB C 31.653 0.074 . 1375 . 145 GLN CG C 35.289 0.03 . 1376 . 145 GLN H H 8.288 0.006 . 1377 . 145 GLN HA H 4.379 0.01 . 1378 . 145 GLN N N 129.429 0.042 . 1379 . 146 ALA HB H 1.481 0.003 . 1380 . 146 ALA C C 179.399 0.000 . 1381 . 146 ALA CA C 54.398 0.029 . 1382 . 146 ALA CB C 19.318 0.061 . 1383 . 146 ALA H H 8.26 0.003 . 1384 . 146 ALA HA H 4.215 0.001 . 1385 . 146 ALA N N 117.575 0.039 . 1386 . 147 LEU HB2 H 1.621 0.01 . 1387 . 147 LEU HD1 H 0.883 0.002 . 1388 . 147 LEU HD2 H 0.999 0.013 . 1389 . 147 LEU HB3 H 1.798 0.002 . 1390 . 147 LEU C C 176.066 0.000 . 1391 . 147 LEU CA C 55.81 0.02 . 1392 . 147 LEU CB C 44.103 0.067 . 1393 . 147 LEU CD1 C 23.179 0.072 . 1394 . 147 LEU CD2 C 26.19 0.024 . 1395 . 147 LEU H H 7.597 0.005 . 1396 . 147 LEU HA H 4.368 0.007 . 1397 . 147 LEU HG H 0.961 0.004 . 1398 . 147 LEU N N 115.185 0.051 . 1399 . 148 LEU HB2 H 1.028 0.006 . 1400 . 148 LEU HD1 H 0.141 0.006 . 1401 . 148 LEU HD2 H 0.634 0.006 . 1402 . 148 LEU HB3 H 1.61 0.006 . 1403 . 148 LEU C C 173.091 0.000 . 1404 . 148 LEU CA C 54.729 0.062 . 1405 . 148 LEU CB C 46.085 0.032 . 1406 . 148 LEU CD1 C 25.8 0.043 . 1407 . 148 LEU CD2 C 24.531 0.034 . 1408 . 148 LEU CG C 27.014 0.024 . 1409 . 148 LEU H H 7.172 0.002 . 1410 . 148 LEU HA H 4.438 0.003 . 1411 . 148 LEU HG H 1.308 0.003 . 1412 . 148 LEU N N 120.263 0.055 . 1413 . 149 GLU HB2 H 1.886 0.005 . 1414 . 149 GLU HG2 H 2.384 0.004 . 1415 . 149 GLU HB3 H 2.056 0.006 . 1416 . 149 GLU C C 177.444 0.000 . 1417 . 149 GLU CA C 56.468 0.038 . 1418 . 149 GLU CB C 31.395 0.161 . 1419 . 149 GLU CG C 36.824 0.02 . 1420 . 149 GLU H H 8.265 0.006 . 1421 . 149 GLU HA H 4.476 0.017 . 1422 . 149 GLU N N 123.571 0.044 . 1423 . 150 GLY CA C 43.766 0.000 . 1424 . 150 GLY H H 8.003 0.005 . 1425 . 150 GLY N N 108.79 0.043 . 1426 . 152 PRO HB2 H 1.962 0.003 . 1427 . 152 PRO HD2 H 3.258 0.013 . 1428 . 152 PRO HG2 H 1.661 0.004 . 1429 . 152 PRO HB3 H 2.346 0.014 . 1430 . 152 PRO HD3 H 3.548 0.003 . 1431 . 152 PRO HG3 H 1.869 0.000 . 1432 . 152 PRO C C 176.429 0.000 . 1433 . 152 PRO CA C 61.983 0.036 . 1434 . 152 PRO CB C 35.314 0.039 . 1435 . 152 PRO CD C 50.939 0.029 . 1436 . 152 PRO CG C 24.783 0.071 . 1437 . 152 PRO HA H 4.487 0.01 . 1438 . 153 PHE HB2 H 2.53 0.006 . 1439 . 153 PHE HB3 H 3.002 0.005 . 1440 . 153 PHE C C 172.59 0.000 . 1441 . 153 PHE CA C 59.816 0.025 . 1442 . 153 PHE CB C 41.378 0.045 . 1443 . 153 PHE H H 10.424 0.006 . 1444 . 153 PHE HA H 4.361 0.004 . 1445 . 153 PHE N N 126.386 0.05 . 1446 . 154 SER HB2 H 2.072 0.000 . 1447 . 154 SER HB3 H 3.402 0.003 . 1448 . 154 SER C C 176.419 0.000 . 1449 . 154 SER CA C 57.034 0.015 . 1450 . 154 SER CB C 62.879 0.03 . 1451 . 154 SER H H 7.884 0.003 . 1452 . 154 SER HA H 4.05 0.003 . 1453 . 154 SER N N 110.687 0.039 . 1454 . 155 VAL HG1 H 0.668 0.003 . 1455 . 155 VAL HG2 H 0.82 0.006 . 1456 . 155 VAL CA C 59.916 0.057 . 1457 . 155 VAL CB C 32.508 0.013 . 1458 . 155 VAL CG1 C 20.934 0.035 . 1459 . 155 VAL CG2 C 23.214 0.042 . 1460 . 155 VAL H H 9.427 0.005 . 1461 . 155 VAL HA H 4.235 0.005 . 1462 . 155 VAL HB H 2.194 0.002 . 1463 . 155 VAL N N 129.877 0.051 . 1464 . 156 PRO HB2 H 2.518 0.005 . 1465 . 156 PRO HD2 H 3.528 0.002 . 1466 . 156 PRO HG2 H 2.115 0.019 . 1467 . 156 PRO HD3 H 3.78 0.002 . 1468 . 156 PRO C C 178.099 0.000 . 1469 . 156 PRO CA C 62.8 0.007 . 1470 . 156 PRO CB C 33.312 0.065 . 1471 . 156 PRO CD C 51.23 0.021 . 1472 . 156 PRO CG C 28.426 0.06 . 1473 . 156 PRO HA H 4.562 0.007 . 1474 . 157 GLN HB2 H 2.208 0.04 . 1475 . 157 GLN HG2 H 2.19 0.002 . 1476 . 157 GLN HB3 H 2.267 0.000 . 1477 . 157 GLN HG3 H 2.455 0.004 . 1478 . 157 GLN C C 177.929 0.000 . 1479 . 157 GLN CA C 60.939 0.085 . 1480 . 157 GLN CB C 29.046 0.127 . 1481 . 157 GLN CG C 34.807 0.002 . 1482 . 157 GLN H H 8.633 0.003 . 1483 . 157 GLN HA H 3.818 0.006 . 1484 . 157 GLN N N 124.859 0.051 . 1485 . 158 THR HG2 H 1.372 0.002 . 1486 . 158 THR C C 177.259 0.000 . 1487 . 158 THR CA C 65.313 0.013 . 1488 . 158 THR CB C 68.786 0.084 . 1489 . 158 THR CG2 C 22.936 0.063 . 1490 . 158 THR H H 8.169 0.009 . 1491 . 158 THR HA H 4.027 0.003 . 1492 . 158 THR HB H 4.241 0.003 . 1493 . 158 THR N N 107.952 0.091 . 1494 . 159 TRP HB2 H 3.368 0.004 . 1495 . 159 TRP HE1 H 10.777 0.005 . 1496 . 159 TRP HB3 H 3.592 0.01 . 1497 . 159 TRP HZ2 H 7.441 0.006 . 1498 . 159 TRP C C 176.83 0.000 . 1499 . 159 TRP CA C 62.729 0.096 . 1500 . 159 TRP CB C 29.98 0.067 . 1501 . 159 TRP CD1 C 129.361 0.07 . 1502 . 159 TRP CH2 C 124.476 0.045 . 1503 . 159 TRP CZ2 C 115.501 0.045 . 1504 . 159 TRP H H 7.285 0.006 . 1505 . 159 TRP HA H 4.063 0.004 . 1506 . 159 TRP HD1 H 7.458 0.004 . 1507 . 159 TRP HH2 H 6.947 0.008 . 1508 . 159 TRP N N 124.737 0.052 . 1509 . 159 TRP NE1 N 131.933 0.032 . 1510 . 160 LEU HB2 H 1.299 0.008 . 1511 . 160 LEU HD1 H 0.353 0.005 . 1512 . 160 LEU HD2 H 0.437 0.007 . 1513 . 160 LEU HB3 H 1.63 0.005 . 1514 . 160 LEU C C 178.938 0.000 . 1515 . 160 LEU CA C 58.581 0.044 . 1516 . 160 LEU CB C 42.746 0.039 . 1517 . 160 LEU CD1 C 25.763 0.035 . 1518 . 160 LEU CD2 C 24.802 0.054 . 1519 . 160 LEU CG C 27.185 0.004 . 1520 . 160 LEU H H 7.716 0.005 . 1521 . 160 LEU HA H 3.58 0.003 . 1522 . 160 LEU HG H 1.396 0.007 . 1523 . 160 LEU N N 118.32 0.053 . 1524 . 161 HIS HB2 H 3.083 0.002 . 1525 . 161 HIS C C 178.061 0.000 . 1526 . 161 HIS CA C 60.16 0.004 . 1527 . 161 HIS CB C 30.86 0.04 . 1528 . 161 HIS H H 8.439 0.005 . 1529 . 161 HIS HA H 4.174 0.003 . 1530 . 161 HIS N N 115.905 0.047 . 1531 . 162 ARG HB2 H 1.774 0.000 . 1532 . 162 ARG HD2 H 3.097 0.008 . 1533 . 162 ARG HG2 H 1.406 0.006 . 1534 . 162 ARG HB3 H 1.871 0.007 . 1535 . 162 ARG HD3 H 3.224 0.000 . 1536 . 162 ARG HG3 H 1.601 0.011 . 1537 . 162 ARG C C 178.459 0.000 . 1538 . 162 ARG CA C 60.002 0.037 . 1539 . 162 ARG CB C 30.514 0.063 . 1540 . 162 ARG CD C 43.791 0.000 . 1541 . 162 ARG CG C 27.472 0.041 . 1542 . 162 ARG H H 7.642 0.004 . 1543 . 162 ARG HA H 3.95 0.005 . 1544 . 162 ARG N N 119.905 0.042 . 1545 . 163 VAL HG1 H 0.526 0.006 . 1546 . 163 VAL HG2 H -0.089 0.005 . 1547 . 163 VAL C C 177.484 0.000 . 1548 . 163 VAL CA C 65.41 0.075 . 1549 . 163 VAL CB C 32.74 0.083 . 1550 . 163 VAL CG1 C 21.496 0.038 . 1551 . 163 VAL CG2 C 21.509 0.037 . 1552 . 163 VAL H H 7.889 0.005 . 1553 . 163 VAL HA H 3.594 0.003 . 1554 . 163 VAL HB H 0.917 0.003 . 1555 . 163 VAL N N 116.226 0.062 . 1556 . 164 MET HB2 H 2.103 0.000 . 1557 . 164 MET HG2 H 1.813 0.000 . 1558 . 164 MET HB3 H 2.224 0.000 . 1559 . 164 MET HG3 H 1.957 0.000 . 1560 . 164 MET C C 177.229 0.000 . 1561 . 164 MET CA C 57.368 0.039 . 1562 . 164 MET CB C 34.471 0.045 . 1563 . 164 MET H H 8.106 0.003 . 1564 . 164 MET HA H 4.793 0.002 . 1565 . 164 MET N N 114.468 0.045 . 1566 . 165 SER HB2 H 3.909 0.003 . 1567 . 165 SER HB3 H 4.014 0.005 . 1568 . 165 SER C C 175.512 0.000 . 1569 . 165 SER CA C 62.115 0.055 . 1570 . 165 SER CB C 63.586 0.066 . 1571 . 165 SER H H 7.602 0.004 . 1572 . 165 SER HA H 4.603 0.001 . 1573 . 165 SER N N 113.199 0.053 . 1574 . 166 GLY HA2 H 3.79 0.001 . 1575 . 166 GLY HA3 H 3.944 0.004 . 1576 . 166 GLY C C 174.683 0.000 . 1577 . 166 GLY CA C 47.074 0.025 . 1578 . 166 GLY H H 8.573 0.004 . 1579 . 166 GLY N N 110.726 0.043 . 1580 . 167 ASN HB2 H 2.402 0.008 . 1581 . 167 ASN HB3 H 2.709 0.013 . 1582 . 167 ASN C C 174.079 0.000 . 1583 . 167 ASN CA C 53.664 0.02 . 1584 . 167 ASN CB C 41.37 0.069 . 1585 . 167 ASN H H 7.635 0.003 . 1586 . 167 ASN HA H 4.819 0.003 . 1587 . 167 ASN N N 116.29 0.039 . 1588 . 168 TRP HB2 H 2.752 0.003 . 1589 . 168 TRP HE1 H 11.721 0.002 . 1590 . 168 TRP HB3 H 2.922 0.011 . 1591 . 168 TRP HZ2 H 6.967 0.004 . 1592 . 168 TRP C C 175.492 0.000 . 1593 . 168 TRP CA C 56.403 0.05 . 1594 . 168 TRP CB C 32.181 0.06 . 1595 . 168 TRP CD1 C 130.268 0.058 . 1596 . 168 TRP CH2 C 123.646 0.044 . 1597 . 168 TRP CZ2 C 113.233 0.07 . 1598 . 168 TRP H H 8.118 0.003 . 1599 . 168 TRP HA H 5.104 0.006 . 1600 . 168 TRP HD1 H 7.701 0.005 . 1601 . 168 TRP HH2 H 6.833 0.004 . 1602 . 168 TRP N N 118.914 0.041 . 1603 . 168 TRP NE1 N 133.518 0.034 . 1604 . 169 GLU HB2 H 2.024 0.001 . 1605 . 169 GLU HG2 H 2.254 0.007 . 1606 . 169 GLU HB3 H 2.115 0.006 . 1607 . 169 GLU C C 176.229 0.000 . 1608 . 169 GLU CA C 56.408 0.051 . 1609 . 169 GLU CB C 31.002 0.057 . 1610 . 169 GLU CG C 36.521 0.038 . 1611 . 169 GLU H H 9.613 0.004 . 1612 . 169 GLU HA H 4.63 0.007 . 1613 . 169 GLU N N 123.632 0.036 . 1614 . 170 VAL HG1 H 0.577 0.002 . 1615 . 170 VAL HG2 H 0.662 0.002 . 1616 . 170 VAL C C 175.644 0.000 . 1617 . 170 VAL CA C 62.646 0.052 . 1618 . 170 VAL CB C 33.627 0.064 . 1619 . 170 VAL CG1 C 22.308 0.014 . 1620 . 170 VAL CG2 C 20.811 0.07 . 1621 . 170 VAL H H 8.741 0.005 . 1622 . 170 VAL HA H 4.46 0.005 . 1623 . 170 VAL HB H 2.042 0.003 . 1624 . 170 VAL N N 128.718 0.047 . 1625 . 171 THR HG2 H 1.129 0.003 . 1626 . 171 THR C C 173.346 0.000 . 1627 . 171 THR CA C 62.283 0.13 . 1628 . 171 THR CB C 71.063 0.047 . 1629 . 171 THR CG2 C 21.902 0.059 . 1630 . 171 THR H H 9.082 0.006 . 1631 . 171 THR HA H 4.63 0.004 . 1632 . 171 THR HB H 4.051 0.001 . 1633 . 171 THR N N 124.921 0.043 . 1634 . 172 LYS C C 176.68 0.000 . 1635 . 172 LYS CA C 57.404 0.037 . 1636 . 172 LYS CB C 33.265 0.021 . 1637 . 172 LYS H H 9.273 0.008 . 1638 . 172 LYS N N 130.316 0.049 . 1639 . 173 VAL HG1 H -0.07 0.011 . 1640 . 173 VAL HG2 H 0.786 0.004 . 1641 . 173 VAL C C 175.144 0.000 . 1642 . 173 VAL CA C 61.539 0.043 . 1643 . 173 VAL CB C 33.689 0.07 . 1644 . 173 VAL CG1 C 18.407 0.035 . 1645 . 173 VAL CG2 C 22.079 0.025 . 1646 . 173 VAL H H 8.85 0.006 . 1647 . 173 VAL HA H 4.486 0.009 . 1648 . 173 VAL HB H 1.994 0.002 . 1649 . 173 VAL N N 121.469 0.059 . 1650 . 174 GLY HA2 H 3.862 0.002 . 1651 . 174 GLY HA3 H 4.313 0.005 . 1652 . 174 GLY C C 172.221 0.000 . 1653 . 174 GLY CA C 45.921 0.06 . 1654 . 174 GLY H H 7.34 0.004 . 1655 . 174 GLY N N 107.035 0.039 . 1656 . 175 GLY HA2 H 4.001 0.005 . 1657 . 175 GLY HA3 H 4.773 0.01 . 1658 . 175 GLY C C 172.581 0.000 . 1659 . 175 GLY CA C 46.086 0.037 . 1660 . 175 GLY H H 8.392 0.005 . 1661 . 175 GLY N N 110.603 0.046 . 1662 . 176 GLN HB2 H 1.981 0.003 . 1663 . 176 GLN HG2 H 2.188 0.004 . 1664 . 176 GLN HB3 H 2.521 0.006 . 1665 . 176 GLN HG3 H 2.312 0.007 . 1666 . 176 GLN C C 174.31 0.000 . 1667 . 176 GLN CA C 55.4 0.011 . 1668 . 176 GLN CB C 30.904 0.063 . 1669 . 176 GLN CG C 32.406 0.009 . 1670 . 176 GLN H H 8.287 0.003 . 1671 . 176 GLN HA H 4.687 0.003 . 1672 . 176 GLN N N 114.841 0.056 . 1673 . 177 ASP HB2 H 2.758 0.002 . 1674 . 177 ASP C C 177.733 0.000 . 1675 . 177 ASP CA C 54.979 0.091 . 1676 . 177 ASP CB C 42.312 0.058 . 1677 . 177 ASP H H 8.641 0.005 . 1678 . 177 ASP HA H 4.99 0.003 . 1679 . 177 ASP N N 121.086 0.043 . 1680 . 178 THR HG2 H 1.077 0.001 . 1681 . 178 THR C C 175.826 0.000 . 1682 . 178 THR CA C 60.98 0.093 . 1683 . 178 THR CB C 70.622 0.095 . 1684 . 178 THR CG2 C 22.419 0.000 . 1685 . 178 THR H H 8.998 0.005 . 1686 . 178 THR HA H 4.551 0.004 . 1687 . 178 THR HB H 4.158 0.001 . 1688 . 178 THR N N 118.323 0.056 . 1689 . 179 LEU HB2 H 1.402 0.012 . 1690 . 179 LEU HD1 H 0.609 0.001 . 1691 . 179 LEU HD2 H 0.634 0.006 . 1692 . 179 LEU HB3 H 1.778 0.007 . 1693 . 179 LEU C C 177.238 0.000 . 1694 . 179 LEU CA C 58.906 0.054 . 1695 . 179 LEU CB C 42.483 0.048 . 1696 . 179 LEU CD1 C 26.487 0.068 . 1697 . 179 LEU CD2 C 24.203 0.004 . 1698 . 179 LEU H H 8.289 0.004 . 1699 . 179 LEU HA H 3.877 0.007 . 1700 . 179 LEU N N 126.297 0.043 . 1701 . 180 HIS HB2 H 3.051 0.004 . 1702 . 180 HIS HB3 H 3.14 0.001 . 1703 . 180 HIS C C 175.846 0.000 . 1704 . 180 HIS CA C 58.782 0.085 . 1705 . 180 HIS CB C 29.748 0.026 . 1706 . 180 HIS H H 8.181 0.013 . 1707 . 180 HIS HA H 4.201 0.002 . 1708 . 180 HIS N N 111.329 0.04 . 1709 . 181 SER HB2 H 3.64 0.005 . 1710 . 181 SER HB3 H 3.926 0.005 . 1711 . 181 SER C C 173.702 0.000 . 1712 . 181 SER CA C 58.299 0.032 . 1713 . 181 SER CB C 64.626 0.025 . 1714 . 181 SER H H 7.477 0.005 . 1715 . 181 SER HA H 4.487 0.002 . 1716 . 181 SER N N 114.178 0.046 . 1717 . 182 SER HB2 H 3.612 0.000 . 1718 . 182 SER HB3 H 3.99 0.000 . 1719 . 182 SER C C 173.459 0.000 . 1720 . 182 SER CA C 56.201 0.028 . 1721 . 182 SER CB C 64.189 0.000 . 1722 . 182 SER H H 8.012 0.003 . 1723 . 182 SER HA H 4.615 0.002 . 1724 . 182 SER N N 118.675 0.034 . 1725 . 183 ALA HB H 1.426 0.000 . 1726 . 183 ALA C C 181.284 0.000 . 1727 . 183 ALA CA C 56.023 0.069 . 1728 . 183 ALA CB C 18.655 0.11 . 1729 . 183 ALA H H 8.663 0.005 . 1730 . 183 ALA HA H 4.106 0.000 . 1731 . 183 ALA N N 131.725 0.085 . 1732 . 184 ARG HB2 H 1.563 0.001 . 1733 . 184 ARG HD2 H 3.192 0.005 . 1734 . 184 ARG HG2 H 1.528 0.01 . 1735 . 184 ARG HB3 H 1.702 0.007 . 1736 . 184 ARG HG3 H 1.675 0.005 . 1737 . 184 ARG C C 179.058 0.000 . 1738 . 184 ARG CA C 59.387 0.063 . 1739 . 184 ARG CB C 31.038 0.08 . 1740 . 184 ARG CD C 43.832 0.029 . 1741 . 184 ARG CG C 28.464 0.057 . 1742 . 184 ARG H H 8.554 0.007 . 1743 . 184 ARG HA H 3.993 0.004 . 1744 . 184 ARG N N 116.16 0.042 . 1745 . 185 GLY HA2 H 4.019 0.000 . 1746 . 185 GLY HA3 H 3.495 0.000 . 1747 . 185 GLY C C 175.206 0.000 . 1748 . 185 GLY CA C 48.074 0.043 . 1749 . 185 GLY H H 8.481 0.006 . 1750 . 185 GLY N N 110.501 0.069 . 1751 . 186 LEU HB2 H 1.426 0.008 . 1752 . 186 LEU HD1 H 0.74 0.012 . 1753 . 186 LEU HD2 H 0.797 0.008 . 1754 . 186 LEU HB3 H 1.796 0.003 . 1755 . 186 LEU C C 181.41 0.000 . 1756 . 186 LEU CA C 58.327 0.109 . 1757 . 186 LEU CB C 42.698 0.02 . 1758 . 186 LEU CD1 C 23.967 0.09 . 1759 . 186 LEU CD2 C 25.903 0.045 . 1760 . 186 LEU CG C 26.979 0.023 . 1761 . 186 LEU H H 8.393 0.005 . 1762 . 186 LEU HA H 4.085 0.003 . 1763 . 186 LEU HG H 1.755 0.014 . 1764 . 186 LEU N N 122.679 0.062 . 1765 . 187 LYS HB2 H 1.878 0.005 . 1766 . 187 LYS HD2 H 1.685 0.004 . 1767 . 187 LYS HE2 H 2.978 0.005 . 1768 . 187 LYS HG2 H 1.499 0.004 . 1769 . 187 LYS C C 177.748 0.000 . 1770 . 187 LYS CA C 59.073 0.026 . 1771 . 187 LYS CB C 32.758 0.035 . 1772 . 187 LYS CD C 29.486 0.048 . 1773 . 187 LYS CE C 42.631 0.023 . 1774 . 187 LYS CG C 25.58 0.024 . 1775 . 187 LYS H H 7.932 0.002 . 1776 . 187 LYS HA H 4.054 0.003 . 1777 . 187 LYS N N 120.867 0.055 . 1778 . 188 ALA HB H 1.508 0.000 . 1779 . 188 ALA C C 177.587 0.000 . 1780 . 188 ALA CA C 53.344 0.107 . 1781 . 188 ALA CB C 20.401 0.097 . 1782 . 188 ALA H H 7.602 0.002 . 1783 . 188 ALA HA H 4.298 0.002 . 1784 . 188 ALA N N 119.392 0.059 . 1785 . 189 GLY HA2 H 3.779 0.001 . 1786 . 189 GLY HA3 H 4.102 0.003 . 1787 . 189 GLY C C 175.293 0.000 . 1788 . 189 GLY CA C 45.989 0.045 . 1789 . 189 GLY H H 7.656 0.005 . 1790 . 189 GLY N N 104.18 0.044 . 1791 . 190 LEU HB2 H 1.481 0.004 . 1792 . 190 LEU HD1 H 0.771 0.008 . 1793 . 190 LEU HD2 H 1.142 0.005 . 1794 . 190 LEU C C 176.737 0.000 . 1795 . 190 LEU CA C 55.937 0.072 . 1796 . 190 LEU CB C 43.221 0.034 . 1797 . 190 LEU CD1 C 26.98 0.061 . 1798 . 190 LEU CD2 C 25.313 0.063 . 1799 . 190 LEU H H 7.364 0.004 . 1800 . 190 LEU HA H 4.235 0.002 . 1801 . 190 LEU HG H 1.751 0.002 . 1802 . 190 LEU N N 118.205 0.055 . 1803 . 191 GLU HB2 H 2.001 0.01 . 1804 . 191 GLU HG2 H 2.271 0.006 . 1805 . 191 GLU HB3 H 2.109 0.004 . 1806 . 191 GLU HG3 H 2.377 0.004 . 1807 . 191 GLU C C 176.856 0.000 . 1808 . 191 GLU CA C 57.377 0.023 . 1809 . 191 GLU CB C 31.558 0.105 . 1810 . 191 GLU CG C 37.086 0.019 . 1811 . 191 GLU H H 9.371 0.009 . 1812 . 191 GLU HA H 4.249 0.005 . 1813 . 191 GLU N N 117.799 0.038 . 1814 . 192 ARG HB2 H 1.754 0.002 . 1815 . 192 ARG HD2 H 3.225 0.004 . 1816 . 192 ARG HG2 H 1.505 0.005 . 1817 . 192 ARG HB3 H 1.917 0.006 . 1818 . 192 ARG C C 174.366 0.000 . 1819 . 192 ARG CA C 55.749 0.075 . 1820 . 192 ARG CB C 33.616 0.115 . 1821 . 192 ARG CD C 43.738 0.035 . 1822 . 192 ARG CG C 26.893 0.028 . 1823 . 192 ARG H H 7.294 0.004 . 1824 . 192 ARG HA H 4.513 0.003 . 1825 . 192 ARG N N 113.977 0.038 . 1826 . 193 MET HB2 H 1.749 0.004 . 1827 . 193 MET HG2 H 1.976 0.006 . 1828 . 193 MET HG3 H 2.132 0.004 . 1829 . 193 MET C C 173.185 0.000 . 1830 . 193 MET CA C 57.413 0.058 . 1831 . 193 MET CB C 36.271 0.078 . 1832 . 193 MET CG C 32.902 0.004 . 1833 . 193 MET H H 9.287 0.006 . 1834 . 193 MET HA H 4.535 0.001 . 1835 . 193 MET N N 125.577 0.039 . 1836 . 194 ASP HB2 H 1.846 0.007 . 1837 . 194 ASP HB3 H 2.322 0.008 . 1838 . 194 ASP C C 174.18 0.000 . 1839 . 194 ASP CA C 56.112 0.056 . 1840 . 194 ASP CB C 44.421 0.07 . 1841 . 194 ASP H H 8.384 0.004 . 1842 . 194 ASP HA H 4.958 0.006 . 1843 . 194 ASP N N 126.679 0.053 . 1844 . 195 GLU HB2 H 1.885 0.001 . 1845 . 195 GLU HG2 H 2.125 0.003 . 1846 . 195 GLU HB3 H 2.075 0.001 . 1847 . 195 GLU HG3 H 2.335 0.009 . 1848 . 195 GLU C C 175.697 0.000 . 1849 . 195 GLU CA C 55.066 0.051 . 1850 . 195 GLU CB C 33.747 0.077 . 1851 . 195 GLU CG C 38.215 0.021 . 1852 . 195 GLU H H 8.845 0.006 . 1853 . 195 GLU HA H 5.313 0.004 . 1854 . 195 GLU N N 122.265 0.053 . 1855 . 196 HIS HB2 H 2.202 0.009 . 1856 . 196 HIS HB3 H 3.164 0.006 . 1857 . 196 HIS C C 172.648 0.000 . 1858 . 196 HIS CA C 55.083 0.038 . 1859 . 196 HIS CB C 35.88 0.026 . 1860 . 196 HIS H H 8.137 0.004 . 1861 . 196 HIS HA H 4.985 0.011 . 1862 . 196 HIS N N 123.209 0.042 . 1863 . 197 VAL HG1 H 0.527 0.002 . 1864 . 197 VAL HG2 H 0.754 0.002 . 1865 . 197 VAL C C 174.641 0.000 . 1866 . 197 VAL CA C 61.413 0.079 . 1867 . 197 VAL CB C 33.553 0.071 . 1868 . 197 VAL CG1 C 21.969 0.051 . 1869 . 197 VAL CG2 C 20.79 0.011 . 1870 . 197 VAL H H 7.663 0.005 . 1871 . 197 VAL HA H 4.677 0.015 . 1872 . 197 VAL HB H 1.195 0.002 . 1873 . 197 VAL N N 120.042 0.038 . 1874 . 198 TYR HB2 H 2.664 0.002 . 1875 . 198 TYR C C 175.24 0.000 . 1876 . 198 TYR CA C 56.724 0.037 . 1877 . 198 TYR CB C 43.145 0.077 . 1878 . 198 TYR H H 9.891 0.003 . 1879 . 198 TYR HA H 5.465 0.003 . 1880 . 198 TYR N N 125.35 0.04 . 1881 . 199 VAL HG1 H 0.88 0.002 . 1882 . 199 VAL C C 175.48 0.000 . 1883 . 199 VAL CA C 62.135 0.085 . 1884 . 199 VAL CB C 34.099 0.034 . 1885 . 199 VAL CG1 C 21.909 0.065 . 1886 . 199 VAL H H 9.085 0.004 . 1887 . 199 VAL HA H 4.764 0.003 . 1888 . 199 VAL HB H 1.872 0.004 . 1889 . 199 VAL N N 119.81 0.039 . 1890 . 200 LEU HB2 H 1.243 0.005 . 1891 . 200 LEU HD1 H 0.468 0.004 . 1892 . 200 LEU HD2 H 0.689 0.004 . 1893 . 200 LEU HB3 H 1.824 0.006 . 1894 . 200 LEU C C 176.49 0.000 . 1895 . 200 LEU CA C 54.453 0.061 . 1896 . 200 LEU CB C 45.933 0.059 . 1897 . 200 LEU CD1 C 27.408 0.027 . 1898 . 200 LEU CD2 C 27.238 0.032 . 1899 . 200 LEU CG C 30.418 0.113 . 1900 . 200 LEU H H 9.154 0.01 . 1901 . 200 LEU HA H 5.706 0.004 . 1902 . 200 LEU HG H 1.608 0.003 . 1903 . 200 LEU N N 128.491 0.054 . 1904 . 201 GLU HB2 H 2.028 0.009 . 1905 . 201 GLU HG2 H 2.296 0.002 . 1906 . 201 GLU HB3 H 2.111 0.015 . 1907 . 201 GLU C C 175.036 0.000 . 1908 . 201 GLU CA C 55.764 0.086 . 1909 . 201 GLU CB C 34.341 0.134 . 1910 . 201 GLU CG C 36.581 0.024 . 1911 . 201 GLU H H 8.654 0.004 . 1912 . 201 GLU HA H 5.216 0.002 . 1913 . 201 GLU N N 120.336 0.059 . 1914 . 202 ARG HB2 H 1.096 0.007 . 1915 . 202 ARG HD2 H 2.138 0.003 . 1916 . 202 ARG HG2 H 0.369 0.006 . 1917 . 202 ARG HB3 H 1.668 0.003 . 1918 . 202 ARG HD3 H 2.615 0.006 . 1919 . 202 ARG HG3 H 1.367 0.014 . 1920 . 202 ARG C C 175.744 0.000 . 1921 . 202 ARG CA C 58.447 0.061 . 1922 . 202 ARG CB C 31.799 0.071 . 1923 . 202 ARG CD C 44.518 0.037 . 1924 . 202 ARG CG C 27.771 0.029 . 1925 . 202 ARG H H 8.705 0.004 . 1926 . 202 ARG HA H 3.949 0.005 . 1927 . 202 ARG N N 129.359 0.052 . 1928 . 203 VAL HG1 H 0.691 0.005 . 1929 . 203 VAL HG2 H 0.865 0.006 . 1930 . 203 VAL CA C 64.198 0.031 . 1931 . 203 VAL CB C 34.032 0.042 . 1932 . 203 VAL CG1 C 20.316 0.033 . 1933 . 203 VAL CG2 C 22.246 0.077 . 1934 . 203 VAL H H 7.851 0.006 . 1935 . 203 VAL HA H 4.08 0.001 . 1936 . 203 VAL HB H 1.966 0.001 . 1937 . 203 VAL N N 129.057 0.062 . stop_ save_