data_6047 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C resonance assignment of the 23 kDa organomercurial lyase MerB in the free form ; _BMRB_accession_number 6047 _BMRB_flat_file_name bmr6047.str _Entry_type original _Submission_date 2003-12-14 _Accession_date 2003-12-15 _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 'Di Lello' Paola . . 2 Benison Gregory C. . 3 Omichinski James G. . 4 Legault Pascale . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 790 "13C chemical shifts" 655 "15N chemical shifts" 173 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-23 original author . stop_ _Original_release_date 2004-07-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N, and 13C resonance assignment of the 23 kDa organomercurial lyase MerB in its free and mercury-bound forms ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213467 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Di Lello' Paola . . 2 Benison Gregory C. . 3 Omichinski James G. . 4 Legault Pascale . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 457 _Page_last 458 _Year 2004 _Details . loop_ _Keyword MerB 'bacterial mercury resistance system' stop_ save_ ################################## # Molecular system description # ################################## save_system_MerB _Saveframe_category molecular_system _Mol_system_name 'Organomercurial Lyase' _Abbreviation_common MerB _Enzyme_commission_number 4.99.1.2 loop_ _Mol_system_component_name _Mol_label MerB $MerB stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function ; It cleaves the carbon-mercury bond of alkylmercury and arylmercury compounds in the presence of cysteine or other thiols, releasing mercury as a mercaptide ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MerB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Organomercurial Lyase' _Abbreviation_common MerB _Molecular_mass 23035 _Mol_thiol_state 'all free' _Details 'The peptide bond between residues 137 and 138 is in the cis conformation' ############################## # Polymer residue sequence # ############################## _Residue_count 212 _Mol_residue_sequence ; MKLAPYILELLTSVNRTNGT ADLLVPLLRELAKGRPVSRT TLAGILDWPAERVAAVLEQA TSTEYDKDGNIIGYGLTLRE TSYVFEIDDRRLYAWCALDT LIFPALIGRTARVSSHCAAT GAPVSLTVSPSEIQAVEPAG MAVSLVLPQEAADVRQSFCC HVHFFASVPTAEDWASKHQG LEGLAIVSVHEAFGLGQEFN RHLLQTMSSRTP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 LEU 4 ALA 5 PRO 6 TYR 7 ILE 8 LEU 9 GLU 10 LEU 11 LEU 12 THR 13 SER 14 VAL 15 ASN 16 ARG 17 THR 18 ASN 19 GLY 20 THR 21 ALA 22 ASP 23 LEU 24 LEU 25 VAL 26 PRO 27 LEU 28 LEU 29 ARG 30 GLU 31 LEU 32 ALA 33 LYS 34 GLY 35 ARG 36 PRO 37 VAL 38 SER 39 ARG 40 THR 41 THR 42 LEU 43 ALA 44 GLY 45 ILE 46 LEU 47 ASP 48 TRP 49 PRO 50 ALA 51 GLU 52 ARG 53 VAL 54 ALA 55 ALA 56 VAL 57 LEU 58 GLU 59 GLN 60 ALA 61 THR 62 SER 63 THR 64 GLU 65 TYR 66 ASP 67 LYS 68 ASP 69 GLY 70 ASN 71 ILE 72 ILE 73 GLY 74 TYR 75 GLY 76 LEU 77 THR 78 LEU 79 ARG 80 GLU 81 THR 82 SER 83 TYR 84 VAL 85 PHE 86 GLU 87 ILE 88 ASP 89 ASP 90 ARG 91 ARG 92 LEU 93 TYR 94 ALA 95 TRP 96 CYS 97 ALA 98 LEU 99 ASP 100 THR 101 LEU 102 ILE 103 PHE 104 PRO 105 ALA 106 LEU 107 ILE 108 GLY 109 ARG 110 THR 111 ALA 112 ARG 113 VAL 114 SER 115 SER 116 HIS 117 CYS 118 ALA 119 ALA 120 THR 121 GLY 122 ALA 123 PRO 124 VAL 125 SER 126 LEU 127 THR 128 VAL 129 SER 130 PRO 131 SER 132 GLU 133 ILE 134 GLN 135 ALA 136 VAL 137 GLU 138 PRO 139 ALA 140 GLY 141 MET 142 ALA 143 VAL 144 SER 145 LEU 146 VAL 147 LEU 148 PRO 149 GLN 150 GLU 151 ALA 152 ALA 153 ASP 154 VAL 155 ARG 156 GLN 157 SER 158 PHE 159 CYS 160 CYS 161 HIS 162 VAL 163 HIS 164 PHE 165 PHE 166 ALA 167 SER 168 VAL 169 PRO 170 THR 171 ALA 172 GLU 173 ASP 174 TRP 175 ALA 176 SER 177 LYS 178 HIS 179 GLN 180 GLY 181 LEU 182 GLU 183 GLY 184 LEU 185 ALA 186 ILE 187 VAL 188 SER 189 VAL 190 HIS 191 GLU 192 ALA 193 PHE 194 GLY 195 LEU 196 GLY 197 GLN 198 GLU 199 PHE 200 ASN 201 ARG 202 HIS 203 LEU 204 LEU 205 GLN 206 THR 207 MET 208 SER 209 SER 210 ARG 211 THR 212 PRO 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 6055 merB 100.00 212 100.00 100.00 9.49e-153 PDB 1S6L "Solution Structure Of Merb, The Organomercurial Lyase Involved In The Bacterial Mercury Resistance System" 100.00 212 100.00 100.00 9.49e-153 PDB 3F0O "Crystal Structure Of Merb, The Organomercurial Lyase Involved In A Bacterial Mercury Resistance System" 100.00 212 100.00 100.00 9.49e-153 PDB 3F0P "Crystal Structure Of The Mercury-Bound Form Of Merb, The Organomercurial Lyase Involved In A Bacterial Mercury Resistance Syste" 100.00 212 100.00 100.00 9.49e-153 PDB 3F2F "Crystal Structure Of The Mercury-Bound Form Of Merb, The Organomercurial Lyase Involved In A Bacterial Mercury Resistance Syste" 100.00 212 100.00 100.00 9.49e-153 PDB 3F2G "Crystal Structure Of Merb Mutant C160s, The Organomercurial Lyase Involved In A Bacterial Mercury Resistance System" 100.00 220 99.53 99.53 2.85e-151 PDB 3F2H "Crystal Structure Of The Mercury-Bound Form Of Merb Mutant C160s, The Organomercurial Lyase Involved In A Bacterial Mercury Res" 100.00 220 99.53 99.53 2.85e-151 PDB 3FN8 "Crystal Structure Of Merb Complexed With Mercury" 100.00 220 100.00 100.00 2.93e-152 DBJ BAA36432 "MerB2 [Pseudomonas sp. K-62]" 100.00 212 99.06 99.06 3.83e-151 DBJ BAN84179 "alkylmercury lyase MerB [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 212 99.53 99.53 8.10e-152 EMBL CAC79205 "MerB protein [uncultured bacterium]" 100.00 212 99.53 99.53 8.10e-152 EMBL CAK12695 "MerB protein [Pseudomonas aeruginosa]" 100.00 212 99.53 99.53 8.10e-152 EMBL CDI28660 "alkylmercury lyase, partial [Acinetobacter nosocomialis 28F]" 100.00 261 99.53 99.53 1.32e-151 EMBL CDR86370 "Alkylmercury lyase [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 212 99.53 99.53 8.10e-152 GB AAA88369 "organomercurial lyase [Plasmid pDU1358]" 100.00 212 99.53 99.53 8.10e-152 GB AAB49639 "MerB [Escherichia coli]" 100.00 212 100.00 100.00 9.49e-153 GB AAD46510 "organomercurial lyase [Escherichia coli]" 100.00 212 98.58 99.06 8.10e-150 GB AAD46511 "organomercurial lyase [Escherichia coli]" 92.45 208 96.94 97.45 1.82e-131 GB AAR91470 "MerB [Klebsiella pneumoniae]" 100.00 212 99.53 99.53 8.10e-152 REF NP_361074 "MerB protein [uncultured bacterium]" 100.00 212 99.53 99.53 8.10e-152 REF WP_000317307 "alkylmercury lyase, partial [Escherichia coli]" 100.00 225 99.53 99.53 1.10e-151 REF WP_000761850 "MULTISPECIES: alkylmercury lyase [Gammaproteobacteria]" 100.00 212 99.53 99.53 8.10e-152 REF WP_001326385 "MULTISPECIES: alkylmercury lyase [Enterobacteriaceae]" 100.00 218 99.53 99.53 8.80e-152 REF WP_015059358 "organomercurial lyase [Salmonella enterica]" 75.00 168 99.37 99.37 5.19e-108 SP P08664 "RecName: Full=Alkylmercury lyase; AltName: Full=Organomercurial lyase [Serratia marcescens]" 100.00 212 99.53 99.53 8.10e-152 SP P62225 "RecName: Full=Alkylmercury lyase; AltName: Full=Organomercurial lyase [Klebsiella pneumoniae]" 100.00 212 99.53 99.53 8.10e-152 SP P77072 "RecName: Full=Alkylmercury lyase; AltName: Full=Organomercurial lyase [Escherichia coli]" 100.00 212 100.00 100.00 9.49e-153 SP Q91UN2 "RecName: Full=Alkylmercury lyase; AltName: Full=Organomercurial lyase [Sinorhizobium meliloti]" 100.00 212 99.53 99.53 8.10e-152 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MerB 'Escherichia Coli' 562 Eubacteria . Escherichia coli 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 $MerB '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MerB . mM 1.0 1.5 [U-15N] 'sodium phosphate buffer' . mM 10 10 . 'sodium chloride' . mM 10 10 . DTT . mM 7.5 7.5 . EDTA . mM 1 1 . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MerB . mM 1.0 1.5 '[U-95% 13C; U-90% 15N]' 'sodium phosphate buffer' . mM 10 10 . 'sodium chloride' . mM 10 10 . DTT . mM 7.5 7.5 . EDTA . mM 1 1 . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.3 _Details ; Johnson, B.A. and Blevins, R.A. (1994), J. Biomol. NMR 4, 603-614. ; save_ save_PIPP _Saveframe_category software _Name PIPP _Version . _Details ; Garrett, D.S., Powers, R., Gronenborn, A.M., Clore, G.M. (1991), J. Magn. Reson. 95, 214-220. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_[1H-15N]-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H-15N]-HSQC' _Sample_label . save_ save_2D_[1H-13C]-CT-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H-13C]-CT-HSQC' _Sample_label . save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D(HB)CBCA(CO)NNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D(HB)CBCA(CO)NNH _Sample_label . save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_H(CCO)NNH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NNH-TOCSY' _Sample_label . save_ save_3D_C(CO)NNH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NNH-TOCSY' _Sample_label . save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_2D(Hb)Cb(CgCd)Hd_10 _Saveframe_category NMR_applied_experiment _Experiment_name 2D(Hb)Cb(CgCd)Hd _Sample_label . save_ save_2D(Hb)Cb(CgCdCe)He_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D(Hb)Cb(CgCdCe)He _Sample_label . save_ save_3D_15N-edited_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited TOCSY' _Sample_label . save_ save_3D_[1H-15N]-NOESY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-15N]-NOESY-HSQC' _Sample_label . save_ save_3D_[1H-13C]-HMQC-NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-13C]-HMQC-NOESY' _Sample_label . save_ save_3D_HNHA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.1 n/a temperature 300 0.5 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 N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $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 $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name MerB _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 . 26 PRO CA C 65.900 0.2 1 2 . 26 PRO HA H 4.090 0.02 1 3 . 26 PRO C C 179.300 0.1 1 4 . 26 PRO CB C 31.300 0.2 1 5 . 26 PRO HB2 H 2.110 0.02 2 6 . 26 PRO HB3 H 1.400 0.02 2 7 . 26 PRO CG C 28.200 0.2 1 8 . 26 PRO HG2 H 1.760 0.02 2 9 . 26 PRO HG3 H 2.070 0.02 2 10 . 27 LEU H H 7.820 0.02 1 11 . 27 LEU N N 117.200 0.1 1 12 . 27 LEU CA C 58.800 0.2 1 13 . 27 LEU HA H 3.870 0.02 1 14 . 27 LEU C C 177.900 0.1 1 15 . 27 LEU CB C 41.100 0.2 1 16 . 27 LEU CG C 28.700 0.2 1 17 . 27 LEU CD1 C 26.100 0.2 1 18 . 27 LEU CD2 C 26.100 0.2 1 19 . 28 LEU H H 8.720 0.02 1 20 . 28 LEU N N 120.700 0.1 1 21 . 28 LEU CA C 58.200 0.2 1 22 . 28 LEU HA H 3.680 0.02 1 23 . 28 LEU C C 178.800 0.1 1 24 . 28 LEU CB C 42.300 0.2 1 25 . 29 ARG H H 7.810 0.02 1 26 . 29 ARG N N 115.100 0.1 1 27 . 29 ARG CA C 60.100 0.2 1 28 . 29 ARG HA H 3.680 0.02 1 29 . 29 ARG C C 178.300 0.1 1 30 . 29 ARG CB C 30.000 0.2 1 31 . 29 ARG HB2 H 1.850 0.02 1 32 . 29 ARG HB3 H 1.850 0.02 1 33 . 29 ARG HG2 H 1.560 0.02 1 34 . 29 ARG HG3 H 1.560 0.02 1 35 . 29 ARG CD C 43.800 0.2 1 36 . 30 GLU H H 7.850 0.02 1 37 . 30 GLU N N 118.600 0.1 1 38 . 30 GLU CA C 58.400 0.2 1 39 . 30 GLU HA H 4.130 0.02 1 40 . 30 GLU C C 181.000 0.1 1 41 . 30 GLU CB C 29.900 0.2 1 42 . 30 GLU CG C 36.000 0.2 1 43 . 31 LEU H H 9.250 0.02 1 44 . 31 LEU N N 125.800 0.1 1 45 . 31 LEU CA C 58.300 0.2 1 46 . 31 LEU HA H 3.870 0.02 1 47 . 31 LEU C C 178.600 0.1 1 48 . 31 LEU CB C 42.400 0.2 1 49 . 32 ALA H H 7.790 0.02 1 50 . 32 ALA N N 117.200 0.1 1 51 . 32 ALA CA C 53.700 0.2 1 52 . 32 ALA HA H 3.920 0.02 1 53 . 32 ALA C C 177.500 0.1 1 54 . 32 ALA CB C 17.600 0.2 1 55 . 32 ALA HB H 1.310 0.02 1 56 . 33 LYS H H 7.410 0.02 1 57 . 33 LYS N N 115.200 0.1 1 58 . 33 LYS CA C 57.900 0.2 1 59 . 33 LYS HA H 4.040 0.02 1 60 . 33 LYS C C 178.900 0.1 1 61 . 33 LYS CB C 32.500 0.2 1 62 . 33 LYS CE C 42.400 0.2 1 63 . 34 GLY H H 8.650 0.02 1 64 . 34 GLY N N 104.400 0.1 1 65 . 34 GLY CA C 46.000 0.2 1 66 . 34 GLY HA2 H 3.580 0.02 2 67 . 34 GLY HA3 H 4.130 0.02 2 68 . 34 GLY C C 172.900 0.1 1 69 . 35 ARG H H 7.530 0.02 1 70 . 35 ARG N N 117.700 0.1 1 71 . 35 ARG CA C 52.700 0.2 1 72 . 35 ARG HA H 5.020 0.02 1 73 . 35 ARG CB C 31.200 0.2 1 74 . 35 ARG HB2 H 1.590 0.02 2 75 . 35 ARG HB3 H 1.890 0.02 2 76 . 35 ARG CG C 27.100 0.2 1 77 . 35 ARG HG2 H 1.580 0.02 1 78 . 35 ARG HG3 H 1.580 0.02 1 79 . 35 ARG CD C 43.000 0.2 1 80 . 35 ARG HD2 H 3.210 0.02 1 81 . 35 ARG HD3 H 3.210 0.02 1 82 . 36 PRO CA C 62.900 0.2 1 83 . 36 PRO HA H 4.320 0.02 1 84 . 36 PRO C C 175.800 0.1 1 85 . 36 PRO CB C 33.300 0.2 1 86 . 36 PRO HB2 H 1.590 0.02 2 87 . 36 PRO HB3 H 2.080 0.02 2 88 . 36 PRO CG C 28.300 0.2 1 89 . 36 PRO CD C 50.700 0.2 1 90 . 36 PRO HD2 H 3.530 0.02 2 91 . 36 PRO HD3 H 3.870 0.02 2 92 . 37 VAL H H 8.950 0.02 1 93 . 37 VAL N N 123.500 0.1 1 94 . 37 VAL CA C 61.300 0.2 1 95 . 37 VAL HA H 4.300 0.02 1 96 . 37 VAL C C 175.200 0.1 1 97 . 37 VAL CB C 34.700 0.2 1 98 . 37 VAL HB H 1.930 0.02 1 99 . 37 VAL CG1 C 21.600 0.2 2 100 . 37 VAL HG1 H 0.960 0.02 2 101 . 37 VAL CG2 C 21.000 0.2 2 102 . 37 VAL HG2 H 0.880 0.02 2 103 . 38 SER H H 9.090 0.02 1 104 . 38 SER N N 124.400 0.1 1 105 . 38 SER CA C 57.300 0.2 1 106 . 38 SER HA H 4.970 0.02 1 107 . 38 SER C C 176.100 0.1 1 108 . 38 SER CB C 65.100 0.2 1 109 . 38 SER HB2 H 4.000 0.02 1 110 . 38 SER HB3 H 4.350 0.02 1 111 . 39 ARG H H 9.540 0.02 1 112 . 39 ARG N N 122.300 0.1 1 113 . 39 ARG CA C 60.600 0.2 1 114 . 39 ARG HA H 3.920 0.02 1 115 . 39 ARG C C 179.300 0.1 1 116 . 39 ARG CB C 29.900 0.2 1 117 . 39 ARG HB2 H 1.960 0.02 1 118 . 39 ARG HB3 H 1.960 0.02 1 119 . 40 THR H H 8.130 0.02 1 120 . 40 THR N N 114.400 0.1 1 121 . 40 THR CA C 66.100 0.2 1 122 . 40 THR HA H 4.010 0.02 1 123 . 40 THR C C 177.300 0.1 1 124 . 40 THR CB C 68.500 0.2 1 125 . 40 THR HB H 4.130 0.02 1 126 . 40 THR CG2 C 22.200 0.2 1 127 . 40 THR HG2 H 1.280 0.02 1 128 . 41 THR H H 8.130 0.02 1 129 . 41 THR N N 123.400 0.1 1 130 . 41 THR CA C 66.200 0.2 1 131 . 41 THR HA H 3.930 0.02 1 132 . 41 THR C C 177.000 0.1 1 133 . 41 THR CB C 67.900 0.2 1 134 . 41 THR HB H 4.330 0.02 1 135 . 41 THR CG2 C 22.100 0.2 1 136 . 41 THR HG2 H 1.150 0.02 1 137 . 42 LEU H H 7.930 0.02 1 138 . 42 LEU N N 121.300 0.1 1 139 . 42 LEU CA C 57.800 0.2 1 140 . 42 LEU HA H 3.850 0.02 1 141 . 42 LEU C C 177.000 0.1 1 142 . 42 LEU CB C 42.100 0.2 1 143 . 42 LEU HB2 H 1.470 0.02 2 144 . 42 LEU HB3 H 1.730 0.02 2 145 . 42 LEU CG C 25.200 0.2 1 146 . 42 LEU CD1 C 23.300 0.2 2 147 . 42 LEU HD1 H 0.750 0.02 2 148 . 42 LEU HG H 1.510 0.02 1 149 . 43 ALA H H 8.220 0.02 1 150 . 43 ALA N N 120.000 0.1 1 151 . 43 ALA CA C 56.200 0.2 1 152 . 43 ALA HA H 3.790 0.02 1 153 . 43 ALA C C 179.800 0.1 1 154 . 43 ALA CB C 17.300 0.2 1 155 . 43 ALA HB H 1.650 0.02 1 156 . 44 GLY H H 7.710 0.02 1 157 . 44 GLY N N 103.300 0.1 1 158 . 44 GLY CA C 46.800 0.2 1 159 . 44 GLY HA2 H 3.970 0.02 1 160 . 44 GLY HA3 H 3.970 0.02 1 161 . 44 GLY C C 176.400 0.1 1 162 . 45 ILE H H 7.820 0.02 1 163 . 45 ILE N N 121.800 0.1 1 164 . 45 ILE CA C 64.600 0.2 1 165 . 45 ILE HA H 3.780 0.02 1 166 . 45 ILE C C 178.000 0.1 1 167 . 45 ILE CB C 38.700 0.2 1 168 . 45 ILE HB H 1.760 0.02 1 169 . 45 ILE CG2 C 17.100 0.2 1 170 . 45 ILE HG2 H 0.780 0.02 1 171 . 45 ILE CG1 C 28.400 0.2 1 172 . 45 ILE HG12 H 1.120 0.02 2 173 . 45 ILE HG13 H 1.610 0.02 2 174 . 45 ILE CD1 C 14.300 0.2 1 175 . 45 ILE HD1 H 0.660 0.02 1 176 . 46 LEU H H 7.530 0.02 1 177 . 46 LEU N N 118.300 0.1 1 178 . 46 LEU CA C 55.100 0.2 1 179 . 46 LEU HA H 3.720 0.02 1 180 . 46 LEU C C 176.600 0.1 1 181 . 46 LEU CB C 41.000 0.2 1 182 . 46 LEU HB2 H -0.170 0.02 2 183 . 46 LEU HB3 H 0.840 0.02 2 184 . 46 LEU CG C 26.200 0.2 1 185 . 46 LEU CD1 C 22.500 0.2 2 186 . 46 LEU HD1 H 0.290 0.02 2 187 . 46 LEU CD2 C 25.400 0.2 2 188 . 46 LEU HD2 H -0.370 0.02 2 189 . 46 LEU HG H 1.150 0.02 1 190 . 47 ASP H H 7.920 0.02 1 191 . 47 ASP N N 117.900 0.1 1 192 . 47 ASP CA C 55.200 0.2 1 193 . 47 ASP HA H 4.320 0.02 1 194 . 47 ASP C C 175.500 0.1 1 195 . 47 ASP CB C 39.600 0.2 1 196 . 47 ASP HB2 H 2.450 0.02 2 197 . 47 ASP HB3 H 3.360 0.02 2 198 . 48 TRP H H 8.110 0.02 1 199 . 48 TRP N N 118.000 0.1 1 200 . 48 TRP CA C 51.800 0.2 1 201 . 48 TRP HA H 5.460 0.02 1 202 . 48 TRP CB C 33.500 0.2 1 203 . 48 TRP HB2 H 2.720 0.02 2 204 . 48 TRP HB3 H 3.290 0.02 2 205 . 48 TRP CD1 C 124.800 0.2 1 206 . 48 TRP HD1 H 7.020 0.02 1 207 . 48 TRP NE1 N 127.600 0.1 1 208 . 48 TRP HE1 H 10.020 0.02 1 209 . 48 TRP HZ2 H 7.450 0.02 1 210 . 49 PRO CA C 62.100 0.2 1 211 . 49 PRO HA H 4.680 0.02 1 212 . 49 PRO C C 178.800 0.1 1 213 . 49 PRO CB C 32.400 0.2 1 214 . 49 PRO HB2 H 2.060 0.02 2 215 . 49 PRO HB3 H 2.540 0.02 2 216 . 49 PRO CG C 28.000 0.2 1 217 . 49 PRO HG2 H 2.120 0.02 2 218 . 49 PRO HG3 H 2.050 0.02 2 219 . 49 PRO CD C 50.300 0.2 1 220 . 49 PRO HD2 H 3.990 0.02 2 221 . 49 PRO HD3 H 3.390 0.02 2 222 . 50 ALA H H 9.140 0.02 1 223 . 50 ALA N N 127.400 0.1 1 224 . 50 ALA CA C 55.800 0.2 1 225 . 50 ALA HA H 3.930 0.02 1 226 . 50 ALA C C 180.400 0.1 1 227 . 50 ALA CB C 18.200 0.2 1 228 . 50 ALA HB H 1.460 0.02 1 229 . 51 GLU H H 9.670 0.02 1 230 . 51 GLU N N 116.300 0.1 1 231 . 51 GLU CA C 59.800 0.2 1 232 . 51 GLU HA H 4.130 0.02 1 233 . 51 GLU C C 178.800 0.1 1 234 . 51 GLU CB C 28.600 0.2 1 235 . 51 GLU HB2 H 2.030 0.02 1 236 . 51 GLU HB3 H 2.030 0.02 1 237 . 51 GLU CG C 36.400 0.2 1 238 . 51 GLU HG2 H 2.320 0.02 2 239 . 51 GLU HG3 H 2.390 0.02 2 240 . 52 ARG H H 7.540 0.02 1 241 . 52 ARG N N 121.700 0.1 1 242 . 52 ARG CA C 58.700 0.2 1 243 . 52 ARG HA H 4.240 0.02 1 244 . 52 ARG C C 178.100 0.1 1 245 . 52 ARG CB C 30.800 0.2 1 246 . 52 ARG CD C 43.000 0.2 1 247 . 53 VAL H H 7.360 0.02 1 248 . 53 VAL N N 118.300 0.1 1 249 . 53 VAL CA C 67.300 0.2 1 250 . 53 VAL HA H 3.700 0.02 1 251 . 53 VAL C C 177.400 0.1 1 252 . 53 VAL CB C 32.000 0.2 1 253 . 53 VAL HB H 2.400 0.02 1 254 . 53 VAL CG1 C 22.200 0.2 2 255 . 53 VAL HG1 H 1.010 0.02 2 256 . 53 VAL CG2 C 24.000 0.2 2 257 . 53 VAL HG2 H 1.140 0.02 2 258 . 54 ALA H H 8.120 0.02 1 259 . 54 ALA N N 118.600 0.1 1 260 . 54 ALA CA C 55.300 0.2 1 261 . 54 ALA HA H 4.020 0.02 1 262 . 54 ALA C C 179.400 0.1 1 263 . 54 ALA CB C 18.200 0.2 1 264 . 54 ALA HB H 1.500 0.02 1 265 . 55 ALA H H 7.690 0.02 1 266 . 55 ALA N N 119.700 0.1 1 267 . 55 ALA CA C 55.200 0.2 1 268 . 55 ALA HA H 4.170 0.02 1 269 . 55 ALA C C 180.700 0.1 1 270 . 55 ALA CB C 18.400 0.2 1 271 . 55 ALA HB H 1.550 0.02 1 272 . 56 VAL H H 7.870 0.02 1 273 . 56 VAL N N 118.200 0.1 1 274 . 56 VAL CA C 66.300 0.2 1 275 . 56 VAL HA H 3.790 0.02 1 276 . 56 VAL C C 179.200 0.1 1 277 . 56 VAL CB C 32.100 0.2 1 278 . 56 VAL HB H 2.290 0.02 1 279 . 56 VAL CG1 C 23.200 0.2 2 280 . 56 VAL HG1 H 1.240 0.02 2 281 . 56 VAL CG2 C 22.700 0.2 2 282 . 56 VAL HG2 H 1.080 0.02 2 283 . 57 LEU H H 8.360 0.02 1 284 . 57 LEU N N 119.100 0.1 1 285 . 57 LEU CA C 57.900 0.2 1 286 . 57 LEU HA H 4.170 0.02 1 287 . 57 LEU C C 180.200 0.1 1 288 . 57 LEU CB C 41.100 0.2 1 289 . 57 LEU HB2 H 1.980 0.02 1 290 . 57 LEU HB3 H 1.980 0.02 1 291 . 58 GLU H H 8.360 0.02 1 292 . 58 GLU N N 119.000 0.1 1 293 . 58 GLU CA C 59.100 0.2 1 294 . 58 GLU HA H 4.040 0.02 1 295 . 58 GLU C C 178.200 0.1 1 296 . 58 GLU CB C 29.500 0.2 1 297 . 58 GLU HB2 H 2.100 0.02 2 298 . 58 GLU HB3 H 2.200 0.02 2 299 . 58 GLU CG C 36.700 0.2 1 300 . 58 GLU HG2 H 2.340 0.02 2 301 . 58 GLU HG3 H 2.410 0.02 2 302 . 59 GLN H H 7.090 0.02 1 303 . 59 GLN N N 113.400 0.1 1 304 . 59 GLN CA C 56.050 0.2 1 305 . 59 GLN HA H 4.340 0.02 1 306 . 59 GLN C C 175.800 0.1 1 307 . 59 GLN CB C 29.000 0.2 1 308 . 59 GLN HB2 H 2.410 0.02 1 309 . 59 GLN HB3 H 2.410 0.02 1 310 . 59 GLN CG C 33.900 0.2 1 311 . 59 GLN HG2 H 2.540 0.02 1 312 . 59 GLN HG3 H 2.540 0.02 1 313 . 59 GLN NE2 N 113.900 0.1 1 314 . 59 GLN HE21 H 7.620 0.02 2 315 . 59 GLN HE22 H 7.000 0.02 2 316 . 60 ALA H H 7.700 0.02 1 317 . 60 ALA N N 126.000 0.1 1 318 . 60 ALA CA C 50.800 0.2 1 319 . 60 ALA HA H 5.030 0.02 1 320 . 60 ALA C C 178.600 0.1 1 321 . 60 ALA CB C 16.800 0.2 1 322 . 60 ALA HB H 1.500 0.02 1 323 . 61 THR H H 7.880 0.02 1 324 . 61 THR N N 113.300 0.1 1 325 . 61 THR CA C 65.400 0.2 1 326 . 61 THR HA H 4.140 0.02 1 327 . 61 THR C C 176.700 0.1 1 328 . 61 THR CB C 69.100 0.2 1 329 . 61 THR HB H 4.490 0.02 1 330 . 61 THR CG2 C 22.300 0.2 1 331 . 61 THR HG2 H 1.400 0.02 1 332 . 62 SER H H 8.660 0.02 1 333 . 62 SER N N 117.000 0.1 1 334 . 62 SER CA C 59.600 0.2 1 335 . 62 SER HA H 4.430 0.02 1 336 . 62 SER C C 173.000 0.1 1 337 . 62 SER CB C 63.600 0.2 1 338 . 62 SER HB2 H 3.970 0.02 1 339 . 62 SER HB3 H 3.970 0.02 1 340 . 63 THR H H 7.700 0.02 1 341 . 63 THR N N 117.200 0.1 1 342 . 63 THR CA C 65.900 0.2 1 343 . 63 THR HA H 4.130 0.02 1 344 . 63 THR C C 174.100 0.1 1 345 . 63 THR CB C 69.000 0.2 1 346 . 63 THR HB H 4.050 0.02 1 347 . 63 THR CG2 C 22.400 0.2 1 348 . 63 THR HG2 H 0.910 0.02 1 349 . 64 GLU H H 9.080 0.02 1 350 . 64 GLU N N 126.200 0.1 1 351 . 64 GLU CA C 55.700 0.2 1 352 . 64 GLU HA H 4.590 0.02 1 353 . 64 GLU C C 175.300 0.1 1 354 . 64 GLU CB C 33.300 0.2 1 355 . 64 GLU HB2 H 1.880 0.02 2 356 . 64 GLU HB3 H 2.070 0.02 2 357 . 64 GLU HG2 H 2.620 0.02 1 358 . 64 GLU HG3 H 2.620 0.02 1 359 . 65 TYR H H 8.790 0.02 1 360 . 65 TYR N N 121.900 0.1 1 361 . 65 TYR CA C 56.500 0.2 1 362 . 65 TYR HA H 5.740 0.02 1 363 . 65 TYR C C 176.700 0.1 1 364 . 65 TYR CB C 43.100 0.2 1 365 . 65 TYR HB2 H 2.710 0.02 2 366 . 65 TYR HB3 H 3.070 0.02 2 367 . 65 TYR CD1 C 133.000 0.2 1 368 . 65 TYR HD1 H 6.920 0.02 1 369 . 65 TYR CE1 C 117.400 0.2 1 370 . 65 TYR HE1 H 6.650 0.02 1 371 . 65 TYR CD2 C 133.000 0.2 1 372 . 65 TYR HD2 H 6.920 0.02 1 373 . 65 TYR CE2 C 117.400 0.2 1 374 . 65 TYR HE2 H 6.650 0.02 1 375 . 66 ASP H H 8.770 0.02 1 376 . 66 ASP N N 120.000 0.1 1 377 . 66 ASP CA C 51.800 0.2 1 378 . 66 ASP HA H 4.840 0.02 1 379 . 66 ASP CB C 41.900 0.2 1 380 . 66 ASP HB2 H 3.370 0.02 2 381 . 66 ASP HB3 H 2.720 0.02 2 382 . 67 LYS CA C 58.400 0.2 1 383 . 67 LYS HA H 4.140 0.02 1 384 . 67 LYS C C 176.800 0.1 1 385 . 67 LYS CB C 31.800 0.2 1 386 . 67 LYS HB2 H 1.850 0.02 2 387 . 67 LYS HB3 H 1.920 0.02 2 388 . 67 LYS CG C 24.000 0.2 1 389 . 67 LYS HG2 H 1.420 0.02 1 390 . 67 LYS HG3 H 1.420 0.02 1 391 . 67 LYS CD C 29.400 0.2 1 392 . 67 LYS HD2 H 1.680 0.02 1 393 . 67 LYS HD3 H 1.680 0.02 1 394 . 67 LYS CE C 42.200 0.2 1 395 . 67 LYS HE2 H 3.010 0.02 1 396 . 67 LYS HE3 H 3.010 0.02 1 397 . 68 ASP H H 7.870 0.02 1 398 . 68 ASP N N 118.800 0.1 1 399 . 68 ASP CA C 54.500 0.2 1 400 . 68 ASP HA H 4.810 0.02 1 401 . 68 ASP C C 176.300 0.1 1 402 . 68 ASP CB C 42.200 0.2 1 403 . 68 ASP HB2 H 2.610 0.02 2 404 . 68 ASP HB3 H 2.870 0.02 2 405 . 69 GLY H H 8.180 0.02 1 406 . 69 GLY N N 108.200 0.1 1 407 . 69 GLY CA C 45.600 0.2 1 408 . 69 GLY HA2 H 3.600 0.02 2 409 . 69 GLY HA3 H 4.220 0.02 2 410 . 69 GLY C C 175.200 0.1 1 411 . 70 ASN H H 8.790 0.02 1 412 . 70 ASN N N 119.900 0.1 1 413 . 70 ASN CA C 53.100 0.2 1 414 . 70 ASN HA H 4.860 0.02 1 415 . 70 ASN C C 174.800 0.1 1 416 . 70 ASN CB C 39.600 0.2 1 417 . 70 ASN HB2 H 2.030 0.02 2 418 . 70 ASN HB3 H 2.910 0.02 2 419 . 70 ASN ND2 N 118.800 0.1 1 420 . 70 ASN HD21 H 8.780 0.02 2 421 . 70 ASN HD22 H 7.180 0.02 2 422 . 71 ILE H H 9.340 0.02 1 423 . 71 ILE N N 122.900 0.1 1 424 . 71 ILE CA C 63.300 0.2 1 425 . 71 ILE HA H 3.960 0.02 1 426 . 71 ILE C C 176.400 0.1 1 427 . 71 ILE CB C 39.400 0.2 1 428 . 71 ILE HB H 1.930 0.02 1 429 . 71 ILE CG2 C 19.200 0.2 1 430 . 71 ILE HG2 H 0.850 0.02 1 431 . 71 ILE CG1 C 29.600 0.2 1 432 . 71 ILE HG12 H 1.850 0.02 1 433 . 71 ILE HG13 H 1.850 0.02 1 434 . 71 ILE CD1 C 16.000 0.2 1 435 . 71 ILE HD1 H 0.940 0.02 1 436 . 72 ILE H H 8.830 0.02 1 437 . 72 ILE N N 118.000 0.1 1 438 . 72 ILE CA C 60.300 0.2 1 439 . 72 ILE HA H 4.590 0.02 1 440 . 72 ILE C C 174.100 0.1 1 441 . 72 ILE CB C 40.700 0.2 1 442 . 72 ILE HB H 2.050 0.02 1 443 . 72 ILE CG2 C 19.600 0.2 1 444 . 72 ILE HG2 H 0.840 0.02 1 445 . 72 ILE CG1 C 26.500 0.2 1 446 . 72 ILE HG12 H 1.020 0.02 1 447 . 72 ILE HG13 H 1.020 0.02 1 448 . 72 ILE CD1 C 14.700 0.2 1 449 . 72 ILE HD1 H 0.740 0.02 1 450 . 73 GLY H H 7.350 0.02 1 451 . 73 GLY N N 107.600 0.1 1 452 . 73 GLY CA C 47.100 0.2 1 453 . 73 GLY HA2 H 3.950 0.02 2 454 . 73 GLY HA3 H 4.070 0.02 2 455 . 73 GLY C C 172.200 0.1 1 456 . 75 GLY CA C 47.500 0.2 1 457 . 75 GLY C C 173.300 0.1 1 458 . 76 LEU H H 6.760 0.02 1 459 . 76 LEU N N 124.100 0.1 1 460 . 76 LEU CA C 53.200 0.2 1 461 . 76 LEU HA H 4.540 0.02 1 462 . 76 LEU C C 175.100 0.1 1 463 . 76 LEU CB C 43.900 0.2 1 464 . 76 LEU CG C 26.300 0.2 1 465 . 76 LEU CD1 C 26.500 0.2 2 466 . 76 LEU CD2 C 24.700 0.2 2 467 . 77 THR H H 9.043 0.02 1 468 . 77 THR N N 117.500 0.1 1 469 . 77 THR CA C 57.800 0.2 1 470 . 77 THR HA H 5.540 0.02 1 471 . 77 THR C C 171.600 0.1 1 472 . 77 THR CB C 69.100 0.2 1 473 . 77 THR HB H 3.870 0.02 1 474 . 77 THR CG2 C 22.200 0.2 1 475 . 77 THR HG2 H 1.280 0.02 1 476 . 78 LEU H H 8.170 0.02 1 477 . 78 LEU N N 122.600 0.1 1 478 . 78 LEU CA C 54.600 0.2 1 479 . 78 LEU HA H 4.640 0.02 1 480 . 78 LEU C C 178.300 0.1 1 481 . 78 LEU CB C 41.900 0.2 1 482 . 78 LEU CG C 24.400 0.2 1 483 . 78 LEU CD1 C 24.400 0.2 2 484 . 78 LEU HD1 H 0.720 0.02 2 485 . 78 LEU CD2 C 22.300 0.2 2 486 . 78 LEU HD2 H 0.790 0.02 2 487 . 79 ARG H H 8.620 0.02 1 488 . 79 ARG N N 123.600 0.1 1 489 . 79 ARG CA C 55.400 0.2 1 490 . 79 ARG HA H 4.180 0.02 1 491 . 79 ARG C C 173.400 0.1 1 492 . 79 ARG CB C 31.300 0.2 1 493 . 79 ARG HB2 H 1.550 0.02 2 494 . 79 ARG HB3 H 1.670 0.02 2 495 . 79 ARG CD C 43.500 0.2 1 496 . 79 ARG HD2 H 3.150 0.02 1 497 . 79 ARG HD3 H 3.150 0.02 1 498 . 80 GLU H H 7.680 0.02 1 499 . 80 GLU N N 121.600 0.1 1 500 . 80 GLU CA C 57.600 0.2 1 501 . 80 GLU C C 176.100 0.1 1 502 . 80 GLU CB C 29.900 0.2 1 503 . 80 GLU HB2 H 1.470 0.02 1 504 . 80 GLU HB3 H 1.470 0.02 1 505 . 80 GLU CG C 36.100 0.2 1 506 . 80 GLU HG2 H 1.840 0.02 2 507 . 80 GLU HG3 H 1.940 0.02 2 508 . 81 THR H H 6.330 0.02 1 509 . 81 THR N N 115.700 0.1 1 510 . 81 THR CA C 59.200 0.2 1 511 . 81 THR HA H 4.660 0.02 1 512 . 81 THR C C 174.100 0.1 1 513 . 81 THR CB C 72.900 0.2 1 514 . 81 THR HB H 4.880 0.02 1 515 . 81 THR CG2 C 21.800 0.2 1 516 . 81 THR HG2 H 1.300 0.02 1 517 . 82 SER H H 8.400 0.02 1 518 . 82 SER N N 110.400 0.1 1 519 . 82 SER CA C 59.400 0.2 1 520 . 82 SER HA H 4.350 0.02 1 521 . 82 SER C C 173.900 0.1 1 522 . 82 SER CB C 63.200 0.2 1 523 . 82 SER HB2 H 3.450 0.02 2 524 . 82 SER HB3 H 3.690 0.02 2 525 . 83 TYR H H 9.040 0.02 1 526 . 83 TYR N N 125.500 0.1 1 527 . 83 TYR CA C 57.600 0.2 1 528 . 83 TYR HA H 4.770 0.02 1 529 . 83 TYR C C 172.800 0.1 1 530 . 83 TYR CB C 38.800 0.2 1 531 . 83 TYR HB2 H 2.480 0.02 2 532 . 83 TYR HB3 H 3.330 0.02 2 533 . 84 VAL H H 8.860 0.02 1 534 . 84 VAL N N 125.700 0.1 1 535 . 84 VAL CA C 64.000 0.2 1 536 . 84 VAL HA H 4.030 0.02 1 537 . 84 VAL C C 174.000 0.1 1 538 . 84 VAL CB C 31.600 0.2 1 539 . 84 VAL HB H 2.390 0.02 1 540 . 84 VAL CG1 C 22.100 0.2 1 541 . 84 VAL HG1 H 0.870 0.02 1 542 . 84 VAL CG2 C 22.100 0.2 1 543 . 84 VAL HG2 H 1.110 0.02 1 544 . 85 PHE H H 8.910 0.02 1 545 . 85 PHE N N 132.300 0.1 1 546 . 85 PHE CA C 57.200 0.2 1 547 . 85 PHE HA H 4.680 0.02 1 548 . 85 PHE C C 172.400 0.1 1 549 . 85 PHE CB C 41.900 0.2 1 550 . 85 PHE HB2 H 2.210 0.02 2 551 . 85 PHE HB3 H 2.950 0.02 2 552 . 85 PHE HD1 H 7.020 0.02 1 553 . 85 PHE HD2 H 7.020 0.02 1 554 . 86 GLU H H 8.590 0.02 1 555 . 86 GLU N N 124.500 0.1 1 556 . 86 GLU CA C 56.000 0.2 1 557 . 86 GLU HA H 5.030 0.02 1 558 . 86 GLU C C 176.000 0.1 1 559 . 86 GLU CB C 31.600 0.2 1 560 . 86 GLU HB2 H 1.990 0.02 1 561 . 86 GLU HB3 H 1.990 0.02 1 562 . 86 GLU CG C 37.900 0.2 1 563 . 86 GLU HG2 H 1.920 0.02 2 564 . 86 GLU HG3 H 2.150 0.02 2 565 . 87 ILE H H 8.090 0.02 1 566 . 87 ILE N N 120.300 0.1 1 567 . 87 ILE CA C 58.800 0.2 1 568 . 87 ILE HA H 4.450 0.02 1 569 . 87 ILE C C 174.900 0.1 1 570 . 87 ILE CB C 41.100 0.2 1 571 . 87 ILE HB H 1.620 0.02 1 572 . 87 ILE CG2 C 18.700 0.2 1 573 . 87 ILE HG2 H 0.700 0.02 1 574 . 87 ILE CG1 C 25.800 0.2 1 575 . 87 ILE HG12 H 0.950 0.02 2 576 . 87 ILE HG13 H 1.580 0.02 2 577 . 87 ILE CD1 C 14.800 0.2 1 578 . 87 ILE HD1 H 0.880 0.02 1 579 . 88 ASP H H 9.090 0.02 1 580 . 88 ASP N N 123.600 0.1 1 581 . 88 ASP CA C 56.400 0.2 1 582 . 88 ASP HA H 4.120 0.02 1 583 . 88 ASP C C 174.900 0.1 1 584 . 88 ASP CB C 39.500 0.2 1 585 . 88 ASP HB2 H 2.750 0.02 2 586 . 88 ASP HB3 H 2.820 0.02 2 587 . 89 ASP H H 8.470 0.02 1 588 . 89 ASP N N 117.000 0.1 1 589 . 89 ASP CA C 54.400 0.2 1 590 . 89 ASP HA H 4.450 0.02 1 591 . 89 ASP C C 175.300 0.1 1 592 . 89 ASP CB C 40.100 0.2 1 593 . 89 ASP HB2 H 2.690 0.02 2 594 . 89 ASP HB3 H 2.900 0.02 2 595 . 90 ARG H H 8.400 0.02 1 596 . 90 ARG N N 120.200 0.1 1 597 . 90 ARG CA C 55.100 0.2 1 598 . 90 ARG HA H 4.610 0.02 1 599 . 90 ARG C C 174.000 0.1 1 600 . 90 ARG CB C 32.300 0.2 1 601 . 90 ARG HB2 H 1.740 0.02 2 602 . 90 ARG HB3 H 1.960 0.02 2 603 . 90 ARG CG C 27.200 0.2 1 604 . 90 ARG HG2 H 1.630 0.02 1 605 . 90 ARG HG3 H 1.630 0.02 1 606 . 90 ARG CD C 43.800 0.2 1 607 . 90 ARG HD2 H 3.170 0.02 1 608 . 90 ARG HD3 H 3.170 0.02 1 609 . 91 ARG H H 8.500 0.02 1 610 . 91 ARG N N 123.900 0.1 1 611 . 91 ARG CA C 56.700 0.2 1 612 . 91 ARG HA H 4.240 0.02 1 613 . 91 ARG C C 173.600 0.1 1 614 . 91 ARG CB C 30.900 0.2 1 615 . 91 ARG CG C 27.900 0.2 1 616 . 91 ARG CD C 43.700 0.2 1 617 . 91 ARG HD2 H 3.130 0.02 1 618 . 91 ARG HD3 H 3.130 0.02 1 619 . 92 LEU H H 7.850 0.02 1 620 . 92 LEU N N 129.200 0.1 1 621 . 92 LEU CA C 53.200 0.2 1 622 . 92 LEU HA H 4.540 0.02 1 623 . 92 LEU C C 172.700 0.1 1 624 . 92 LEU CB C 44.100 0.2 1 625 . 92 LEU HB2 H 1.720 0.02 2 626 . 92 LEU HB3 H 2.180 0.02 2 627 . 92 LEU CG C 28.800 0.2 1 628 . 92 LEU CD1 C 26.700 0.2 2 629 . 92 LEU HD1 H 0.920 0.02 2 630 . 92 LEU CD2 C 24.900 0.2 2 631 . 92 LEU HD2 H 0.870 0.02 2 632 . 92 LEU HG H 1.720 0.02 1 633 . 93 TYR H H 8.160 0.02 1 634 . 93 TYR N N 114.900 0.1 1 635 . 93 TYR CA C 56.400 0.2 1 636 . 93 TYR HA H 5.700 0.02 1 637 . 93 TYR C C 174.400 0.1 1 638 . 93 TYR CB C 41.600 0.2 1 639 . 93 TYR HB2 H 2.850 0.02 2 640 . 93 TYR HB3 H 3.790 0.02 2 641 . 94 ALA H H 8.460 0.02 1 642 . 94 ALA N N 119.000 0.1 1 643 . 94 ALA CA C 49.100 0.2 1 644 . 94 ALA HA H 5.760 0.02 1 645 . 94 ALA C C 178.200 0.1 1 646 . 94 ALA CB C 23.800 0.2 1 647 . 94 ALA HB H 1.230 0.02 1 648 . 95 TRP H H 8.850 0.02 1 649 . 95 TRP N N 121.900 0.1 1 650 . 95 TRP CA C 58.000 0.2 1 651 . 95 TRP HA H 4.790 0.02 1 652 . 95 TRP CB C 30.000 0.2 1 653 . 95 TRP HB2 H 2.980 0.02 2 654 . 95 TRP HB3 H 3.010 0.02 2 655 . 95 TRP CD1 C 123.400 0.2 1 656 . 95 TRP HD1 H 6.780 0.02 1 657 . 95 TRP NE1 N 128.500 0.1 1 658 . 95 TRP HE1 H 10.110 0.02 1 659 . 96 CYS C C 173.400 0.1 1 660 . 97 ALA H H 6.560 0.02 1 661 . 97 ALA N N 117.100 0.1 1 662 . 97 ALA CA C 55.400 0.2 1 663 . 97 ALA HA H 2.920 0.02 1 664 . 97 ALA C C 179.400 0.1 1 665 . 97 ALA CB C 17.400 0.2 1 666 . 97 ALA HB H -0.130 0.02 1 667 . 98 LEU H H 6.230 0.02 1 668 . 98 LEU N N 115.800 0.1 1 669 . 98 LEU CA C 57.800 0.2 1 670 . 98 LEU C C 176.800 0.1 1 671 . 98 LEU CB C 42.500 0.2 1 672 . 99 ASP H H 6.490 0.02 1 673 . 99 ASP N N 120.100 0.1 1 674 . 99 ASP C C 177.200 0.1 1 675 . 100 THR H H 6.490 0.02 1 676 . 100 THR N N 105.100 0.1 1 677 . 100 THR CA C 64.600 0.2 1 678 . 100 THR HA H 3.810 0.02 1 679 . 100 THR C C 172.500 0.1 1 680 . 100 THR CB C 67.800 0.2 1 681 . 100 THR HB H 4.580 0.02 1 682 . 100 THR CG2 C 22.800 0.2 1 683 . 100 THR HG2 H 1.290 0.02 1 684 . 101 LEU H H 6.880 0.02 1 685 . 101 LEU N N 112.900 0.1 1 686 . 101 LEU CA C 55.200 0.2 1 687 . 101 LEU CB C 42.400 0.2 1 688 . 104 PRO CA C 68.900 0.2 1 689 . 104 PRO C C 178.200 0.1 1 690 . 104 PRO CB C 30.200 0.2 1 691 . 105 ALA H H 7.770 0.02 1 692 . 105 ALA N N 117.000 0.1 1 693 . 105 ALA CA C 54.900 0.2 1 694 . 105 ALA HA H 4.050 0.02 1 695 . 105 ALA C C 179.800 0.1 1 696 . 105 ALA CB C 19.200 0.2 1 697 . 105 ALA HB H 1.680 0.02 1 698 . 106 LEU H H 7.420 0.02 1 699 . 106 LEU N N 116.000 0.1 1 700 . 106 LEU CA C 57.200 0.2 1 701 . 106 LEU HA H 4.230 0.02 1 702 . 106 LEU C C 178.400 0.1 1 703 . 106 LEU CB C 42.400 0.2 1 704 . 107 ILE H H 8.220 0.02 1 705 . 107 ILE N N 110.100 0.1 1 706 . 107 ILE CA C 61.700 0.2 1 707 . 107 ILE HA H 4.260 0.02 1 708 . 107 ILE C C 176.100 0.1 1 709 . 107 ILE CB C 38.800 0.2 1 710 . 107 ILE HB H 1.990 0.02 1 711 . 107 ILE CG2 C 17.300 0.2 1 712 . 107 ILE HG2 H 0.680 0.02 1 713 . 107 ILE CG1 C 26.800 0.2 1 714 . 107 ILE HG12 H 1.500 0.02 2 715 . 107 ILE HG13 H 1.340 0.02 2 716 . 107 ILE CD1 C 14.700 0.2 1 717 . 107 ILE HD1 H 0.810 0.02 1 718 . 108 GLY H H 8.140 0.02 1 719 . 108 GLY N N 112.200 0.1 1 720 . 108 GLY CA C 46.800 0.2 1 721 . 108 GLY HA2 H 3.770 0.02 2 722 . 108 GLY HA3 H 4.020 0.02 2 723 . 108 GLY C C 174.600 0.1 1 724 . 109 ARG H H 7.790 0.02 1 725 . 109 ARG N N 117.400 0.1 1 726 . 109 ARG CA C 53.500 0.2 1 727 . 109 ARG HA H 4.730 0.02 1 728 . 109 ARG C C 173.500 0.1 1 729 . 109 ARG CB C 35.000 0.2 1 730 . 109 ARG HB2 H 1.280 0.02 2 731 . 109 ARG HB3 H 1.900 0.02 2 732 . 109 ARG CG C 26.700 0.2 1 733 . 109 ARG HG2 H 1.520 0.02 2 734 . 109 ARG HG3 H 1.540 0.02 2 735 . 109 ARG CD C 42.700 0.2 1 736 . 109 ARG HD2 H 3.180 0.02 2 737 . 109 ARG HD3 H 3.260 0.02 2 738 . 110 THR H H 8.070 0.02 1 739 . 110 THR N N 115.700 0.1 1 740 . 110 THR CA C 63.100 0.2 1 741 . 110 THR HA H 4.710 0.02 1 742 . 110 THR C C 173.000 0.1 1 743 . 110 THR CB C 69.400 0.2 1 744 . 110 THR HB H 3.850 0.02 1 745 . 110 THR CG2 C 21.900 0.2 1 746 . 110 THR HG2 H 0.900 0.02 1 747 . 111 ALA H H 9.010 0.02 1 748 . 111 ALA N N 129.600 0.1 1 749 . 111 ALA CA C 49.700 0.2 1 750 . 111 ALA HA H 4.870 0.02 1 751 . 111 ALA C C 175.700 0.1 1 752 . 111 ALA CB C 23.400 0.2 1 753 . 111 ALA HB H 0.260 0.02 1 754 . 112 ARG H H 8.690 0.02 1 755 . 112 ARG N N 121.500 0.1 1 756 . 112 ARG CA C 55.900 0.2 1 757 . 112 ARG HA H 4.630 0.02 1 758 . 112 ARG C C 175.700 0.1 1 759 . 112 ARG CB C 30.400 0.2 1 760 . 112 ARG HB2 H 1.640 0.02 2 761 . 112 ARG HB3 H 1.850 0.02 2 762 . 112 ARG CG C 27.200 0.2 1 763 . 112 ARG HG2 H 1.560 0.02 1 764 . 112 ARG HG3 H 1.560 0.02 1 765 . 112 ARG CD C 43.200 0.2 1 766 . 112 ARG HD2 H 3.090 0.02 1 767 . 112 ARG HD3 H 3.090 0.02 1 768 . 113 VAL H H 9.310 0.02 1 769 . 113 VAL N N 129.700 0.1 1 770 . 113 VAL CA C 60.800 0.2 1 771 . 113 VAL HA H 5.210 0.02 1 772 . 113 VAL C C 175.700 0.1 1 773 . 113 VAL CB C 33.900 0.2 1 774 . 113 VAL HB H 1.990 0.02 1 775 . 113 VAL CG1 C 20.600 0.2 1 776 . 113 VAL HG1 H 1.160 0.02 1 777 . 113 VAL CG2 C 22.400 0.2 1 778 . 113 VAL HG2 H 1.040 0.02 1 779 . 114 SER H H 8.780 0.02 1 780 . 114 SER N N 120.100 0.1 1 781 . 114 SER CA C 57.400 0.2 1 782 . 114 SER HA H 5.090 0.02 1 783 . 114 SER C C 172.500 0.1 1 784 . 114 SER CB C 65.400 0.2 1 785 . 114 SER HB2 H 3.860 0.02 1 786 . 114 SER HB3 H 3.860 0.02 1 787 . 115 SER H H 8.400 0.02 1 788 . 115 SER N N 113.900 0.1 1 789 . 115 SER CA C 55.500 0.2 1 790 . 115 SER HA H 4.710 0.02 1 791 . 115 SER C C 174.700 0.1 1 792 . 115 SER CB C 64.000 0.2 1 793 . 115 SER HB2 H 3.240 0.02 1 794 . 115 SER HB3 H 3.240 0.02 1 795 . 116 HIS H H 8.920 0.02 1 796 . 116 HIS N N 118.400 0.1 1 797 . 116 HIS CA C 55.500 0.2 1 798 . 116 HIS HA H 5.130 0.02 1 799 . 116 HIS C C 173.300 0.1 1 800 . 116 HIS CB C 32.800 0.2 1 801 . 116 HIS HB2 H 2.620 0.02 2 802 . 116 HIS HB3 H 2.680 0.02 2 803 . 117 CYS H H 9.610 0.02 1 804 . 117 CYS N N 126.600 0.1 1 805 . 117 CYS CA C 59.500 0.2 1 806 . 117 CYS HA H 3.980 0.02 1 807 . 117 CYS C C 178.700 0.1 1 808 . 117 CYS CB C 29.800 0.2 1 809 . 117 CYS HB2 H 2.620 0.02 2 810 . 117 CYS HB3 H 3.020 0.02 2 811 . 118 ALA H H 8.010 0.02 1 812 . 118 ALA N N 133.600 0.1 1 813 . 118 ALA CA C 54.100 0.2 1 814 . 118 ALA HA H 3.870 0.02 1 815 . 118 ALA C C 176.700 0.1 1 816 . 118 ALA CB C 17.900 0.2 1 817 . 118 ALA HB H 0.370 0.02 1 818 . 119 ALA H H 9.300 0.02 1 819 . 119 ALA N N 121.600 0.1 1 820 . 119 ALA CA C 53.900 0.2 1 821 . 119 ALA HA H 4.810 0.02 1 822 . 119 ALA C C 179.100 0.1 1 823 . 119 ALA CB C 22.300 0.2 1 824 . 119 ALA HB H 1.760 0.02 1 825 . 120 THR H H 10.030 0.02 1 826 . 120 THR N N 113.300 0.1 1 827 . 120 THR CA C 62.400 0.2 1 828 . 120 THR HA H 4.690 0.02 1 829 . 120 THR C C 176.600 0.1 1 830 . 120 THR CB C 74.300 0.2 1 831 . 120 THR HB H 4.460 0.02 1 832 . 120 THR CG2 C 22.100 0.2 1 833 . 120 THR HG2 H 1.410 0.02 1 834 . 121 GLY H H 8.420 0.02 1 835 . 121 GLY N N 111.900 0.1 1 836 . 121 GLY CA C 45.800 0.2 1 837 . 121 GLY HA2 H 3.710 0.02 2 838 . 121 GLY HA3 H 4.250 0.02 2 839 . 121 GLY C C 173.000 0.1 1 840 . 122 ALA H H 7.280 0.02 1 841 . 122 ALA N N 124.100 0.1 1 842 . 122 ALA CA C 51.000 0.2 1 843 . 122 ALA HA H 4.580 0.02 1 844 . 122 ALA CB C 18.300 0.2 1 845 . 122 ALA HB H 1.340 0.02 1 846 . 123 PRO CA C 63.700 0.2 1 847 . 123 PRO HA H 4.380 0.02 1 848 . 123 PRO C C 176.100 0.1 1 849 . 123 PRO CB C 32.100 0.2 1 850 . 123 PRO HB2 H 1.850 0.02 2 851 . 123 PRO HB3 H 2.200 0.02 2 852 . 123 PRO CG C 27.800 0.2 1 853 . 123 PRO HG2 H 2.130 0.02 2 854 . 123 PRO HG3 H 2.080 0.02 2 855 . 123 PRO CD C 50.300 0.2 1 856 . 123 PRO HD2 H 3.720 0.02 2 857 . 123 PRO HD3 H 3.980 0.02 2 858 . 124 VAL H H 7.690 0.02 1 859 . 124 VAL N N 114.400 0.1 1 860 . 124 VAL CA C 58.500 0.2 1 861 . 124 VAL HA H 5.050 0.02 1 862 . 124 VAL C C 174.700 0.1 1 863 . 124 VAL CB C 34.300 0.2 1 864 . 124 VAL HB H 1.950 0.02 1 865 . 124 VAL CG1 C 20.400 0.2 2 866 . 124 VAL HG1 H 0.600 0.02 2 867 . 124 VAL CG2 C 19.200 0.2 2 868 . 124 VAL HG2 H 0.200 0.02 2 869 . 125 SER H H 9.120 0.02 1 870 . 125 SER N N 116.400 0.1 1 871 . 125 SER CA C 57.800 0.2 1 872 . 125 SER HA H 4.990 0.02 1 873 . 125 SER C C 171.300 0.1 1 874 . 125 SER CB C 65.800 0.2 1 875 . 125 SER HB2 H 3.850 0.02 1 876 . 125 SER HB3 H 3.850 0.02 1 877 . 126 LEU H H 8.560 0.02 1 878 . 126 LEU N N 116.400 0.1 1 879 . 126 LEU CA C 56.000 0.2 1 880 . 126 LEU HA H 4.910 0.02 1 881 . 126 LEU C C 174.800 0.1 1 882 . 126 LEU CB C 44.000 0.2 1 883 . 126 LEU HB2 H 1.840 0.02 1 884 . 126 LEU HB3 H 1.410 0.02 1 885 . 126 LEU CG C 28.200 0.2 1 886 . 126 LEU CD1 C 25.600 0.2 1 887 . 126 LEU HD1 H 0.430 0.02 1 888 . 126 LEU CD2 C 25.600 0.2 1 889 . 126 LEU HD2 H 0.430 0.02 1 890 . 126 LEU HG H 0.470 0.02 1 891 . 127 THR H H 8.670 0.02 1 892 . 127 THR N N 118.000 0.1 1 893 . 127 THR CA C 62.300 0.2 1 894 . 127 THR HA H 5.040 0.02 1 895 . 127 THR C C 173.600 0.1 1 896 . 127 THR CB C 70.100 0.2 1 897 . 127 THR HB H 3.770 0.02 1 898 . 127 THR CG2 C 22.000 0.2 1 899 . 127 THR HG2 H 0.950 0.02 1 900 . 128 VAL H H 9.260 0.02 1 901 . 128 VAL N N 128.000 0.1 1 902 . 128 VAL CA C 61.800 0.2 1 903 . 128 VAL HA H 4.460 0.02 1 904 . 128 VAL C C 173.600 0.1 1 905 . 128 VAL CB C 34.200 0.2 1 906 . 128 VAL HB H 2.140 0.02 1 907 . 128 VAL CG1 C 22.500 0.2 1 908 . 128 VAL HG1 H 1.370 0.02 1 909 . 128 VAL CG2 C 21.600 0.2 1 910 . 128 VAL HG2 H 0.910 0.02 1 911 . 129 SER H H 9.110 0.02 1 912 . 129 SER N N 126.600 0.1 1 913 . 129 SER CA C 55.600 0.2 1 914 . 129 SER HA H 5.290 0.02 1 915 . 129 SER CB C 65.200 0.2 1 916 . 129 SER HB2 H 3.790 0.02 2 917 . 129 SER HB3 H 4.380 0.02 2 918 . 130 PRO CA C 65.400 0.2 1 919 . 130 PRO HA H 3.970 0.02 1 920 . 130 PRO C C 176.000 0.1 1 921 . 130 PRO CB C 32.900 0.2 1 922 . 130 PRO HB2 H 1.930 0.02 2 923 . 130 PRO HB3 H 2.400 0.02 2 924 . 130 PRO CG C 27.700 0.2 1 925 . 130 PRO CD C 50.700 0.2 1 926 . 130 PRO HD2 H 3.570 0.02 2 927 . 130 PRO HD3 H 3.640 0.02 2 928 . 131 SER H H 8.160 0.02 1 929 . 131 SER N N 105.700 0.1 1 930 . 131 SER CA C 58.000 0.2 1 931 . 131 SER HA H 4.800 0.02 1 932 . 131 SER C C 174.000 0.1 1 933 . 131 SER CB C 65.800 0.2 1 934 . 131 SER HB2 H 3.720 0.02 2 935 . 131 SER HB3 H 3.950 0.02 2 936 . 132 GLU H H 7.870 0.02 1 937 . 132 GLU N N 120.300 0.1 1 938 . 132 GLU CA C 55.800 0.2 1 939 . 132 GLU HA H 4.410 0.02 1 940 . 132 GLU C C 173.400 0.1 1 941 . 132 GLU CB C 32.300 0.2 1 942 . 132 GLU HB2 H 2.100 0.02 1 943 . 132 GLU HB3 H 2.100 0.02 1 944 . 132 GLU CG C 34.800 0.2 1 945 . 132 GLU HG2 H 1.860 0.02 2 946 . 132 GLU HG3 H 2.020 0.02 2 947 . 133 ILE H H 7.930 0.02 1 948 . 133 ILE N N 115.100 0.1 1 949 . 133 ILE CA C 60.300 0.2 1 950 . 133 ILE HA H 4.580 0.02 1 951 . 133 ILE C C 175.300 0.1 1 952 . 133 ILE CB C 39.100 0.2 1 953 . 133 ILE HB H 1.440 0.02 1 954 . 133 ILE CG2 C 19.200 0.2 1 955 . 133 ILE HG2 H 0.410 0.02 1 956 . 133 ILE CG1 C 25.900 0.2 1 957 . 133 ILE HG12 H 0.960 0.02 2 958 . 133 ILE HG13 H 0.540 0.02 2 959 . 133 ILE CD1 C 14.500 0.2 1 960 . 133 ILE HD1 H 0.270 0.02 1 961 . 134 GLN H H 8.710 0.02 1 962 . 134 GLN N N 123.100 0.1 1 963 . 134 GLN CA C 55.000 0.2 1 964 . 134 GLN HA H 4.440 0.02 1 965 . 134 GLN C C 174.100 0.1 1 966 . 134 GLN CB C 32.300 0.2 1 967 . 134 GLN HB2 H 1.680 0.02 2 968 . 134 GLN HB3 H 2.050 0.02 2 969 . 134 GLN CG C 33.900 0.2 1 970 . 134 GLN HG2 H 2.130 0.02 2 971 . 134 GLN HG3 H 2.240 0.02 2 972 . 134 GLN NE2 N 110.800 0.1 1 973 . 134 GLN HE21 H 7.450 0.02 2 974 . 134 GLN HE22 H 6.650 0.02 2 975 . 135 ALA H H 8.280 0.02 1 976 . 135 ALA N N 121.700 0.1 1 977 . 135 ALA CA C 52.300 0.2 1 978 . 135 ALA HA H 4.180 0.02 1 979 . 135 ALA C C 175.300 0.1 1 980 . 135 ALA CB C 18.600 0.2 1 981 . 135 ALA HB H 1.270 0.02 1 982 . 136 VAL H H 7.970 0.02 1 983 . 136 VAL N N 118.400 0.1 1 984 . 136 VAL CA C 63.000 0.2 1 985 . 136 VAL HA H 3.990 0.02 1 986 . 136 VAL C C 174.600 0.1 1 987 . 136 VAL CB C 32.500 0.2 1 988 . 136 VAL HB H 2.050 0.02 1 989 . 136 VAL CG1 C 22.000 0.2 1 990 . 136 VAL HG1 H 0.970 0.02 1 991 . 136 VAL CG2 C 22.000 0.2 1 992 . 136 VAL HG2 H 0.760 0.02 1 993 . 137 GLU H H 8.820 0.02 1 994 . 137 GLU N N 129.600 0.1 1 995 . 137 GLU CA C 52.600 0.2 1 996 . 137 GLU HA H 4.720 0.02 1 997 . 137 GLU CB C 32.700 0.2 1 998 . 137 GLU HB2 H 1.780 0.02 2 999 . 137 GLU HB3 H 1.890 0.02 2 1000 . 137 GLU CG C 35.600 0.2 1 1001 . 137 GLU HG2 H 2.010 0.02 2 1002 . 137 GLU HG3 H 2.080 0.02 2 1003 . 138 PRO CA C 62.800 0.2 1 1004 . 138 PRO HA H 4.820 0.02 1 1005 . 138 PRO C C 176.800 0.1 1 1006 . 138 PRO CB C 34.900 0.2 1 1007 . 138 PRO HB2 H 2.270 0.02 2 1008 . 138 PRO HB3 H 2.530 0.02 2 1009 . 138 PRO CG C 25.800 0.2 1 1010 . 138 PRO HG2 H 2.040 0.02 2 1011 . 138 PRO HG3 H 2.110 0.02 2 1012 . 138 PRO CD C 50.600 0.2 1 1013 . 138 PRO HD2 H 3.460 0.02 2 1014 . 138 PRO HD3 H 3.930 0.02 2 1015 . 139 ALA H H 8.680 0.02 1 1016 . 139 ALA N N 121.900 0.1 1 1017 . 139 ALA CA C 55.000 0.2 1 1018 . 139 ALA HA H 4.010 0.02 1 1019 . 139 ALA C C 179.800 0.1 1 1020 . 139 ALA CB C 18.500 0.2 1 1021 . 139 ALA HB H 1.500 0.02 1 1022 . 140 GLY H H 8.430 0.02 1 1023 . 140 GLY N N 104.900 0.1 1 1024 . 140 GLY CA C 45.700 0.2 1 1025 . 140 GLY HA2 H 3.780 0.02 2 1026 . 140 GLY HA3 H 4.350 0.02 2 1027 . 140 GLY C C 173.200 0.1 1 1028 . 141 MET H H 6.930 0.02 1 1029 . 141 MET N N 118.100 0.1 1 1030 . 141 MET CA C 57.600 0.2 1 1031 . 141 MET HA H 4.100 0.02 1 1032 . 141 MET C C 174.500 0.1 1 1033 . 141 MET CB C 35.000 0.2 1 1034 . 141 MET HB2 H 1.690 0.02 2 1035 . 141 MET HB3 H 2.480 0.02 2 1036 . 141 MET CG C 30.400 0.2 1 1037 . 141 MET HG2 H 2.450 0.02 2 1038 . 141 MET HG3 H 2.530 0.02 2 1039 . 141 MET CE C 18.020 0.2 1 1040 . 141 MET HE H 1.610 0.02 1 1041 . 142 ALA H H 8.510 0.02 1 1042 . 142 ALA N N 127.800 0.1 1 1043 . 142 ALA CA C 50.200 0.2 1 1044 . 142 ALA HA H 5.180 0.02 1 1045 . 142 ALA C C 174.700 0.1 1 1046 . 142 ALA CB C 24.100 0.2 1 1047 . 142 ALA HB H 1.220 0.02 1 1048 . 143 VAL H H 9.310 0.02 1 1049 . 143 VAL N N 119.400 0.1 1 1050 . 143 VAL CA C 60.000 0.2 1 1051 . 143 VAL HA H 5.570 0.02 1 1052 . 143 VAL C C 174.900 0.1 1 1053 . 143 VAL CB C 37.400 0.2 1 1054 . 143 VAL HB H 1.490 0.02 1 1055 . 143 VAL CG1 C 21.200 0.2 1 1056 . 143 VAL HG1 H 0.580 0.02 1 1057 . 143 VAL CG2 C 23.200 0.2 1 1058 . 143 VAL HG2 H 0.780 0.02 1 1059 . 144 SER H H 8.320 0.02 1 1060 . 144 SER N N 116.500 0.1 1 1061 . 144 SER CA C 56.100 0.2 1 1062 . 144 SER HA H 5.240 0.02 1 1063 . 144 SER C C 171.900 0.1 1 1064 . 144 SER CB C 65.900 0.2 1 1065 . 144 SER HB2 H 3.850 0.02 2 1066 . 144 SER HB3 H 4.100 0.02 2 1067 . 145 LEU H H 8.790 0.02 1 1068 . 145 LEU N N 116.800 0.1 1 1069 . 145 LEU CA C 53.200 0.2 1 1070 . 145 LEU HA H 4.530 0.02 1 1071 . 145 LEU CB C 47.000 0.2 1 1072 . 146 VAL H H 6.250 0.02 1 1073 . 146 VAL N N 107.600 0.1 1 1074 . 149 GLN CA C 54.700 0.2 1 1075 . 149 GLN HA H 4.350 0.02 1 1076 . 149 GLN C C 176.100 0.1 1 1077 . 149 GLN CB C 30.500 0.2 1 1078 . 149 GLN HB2 H 1.900 0.02 2 1079 . 149 GLN HB3 H 2.140 0.02 2 1080 . 149 GLN CG C 34.000 0.2 1 1081 . 149 GLN HG2 H 2.420 0.02 1 1082 . 149 GLN HG3 H 2.420 0.02 1 1083 . 150 GLU H H 8.560 0.02 1 1084 . 150 GLU N N 123.100 0.1 1 1085 . 150 GLU CA C 57.800 0.2 1 1086 . 150 GLU HA H 4.070 0.02 1 1087 . 150 GLU C C 176.100 0.1 1 1088 . 150 GLU CB C 29.700 0.2 1 1089 . 150 GLU HB2 H 1.980 0.02 1 1090 . 150 GLU HB3 H 1.980 0.02 1 1091 . 150 GLU CG C 36.200 0.2 1 1092 . 150 GLU HG2 H 2.210 0.02 1 1093 . 150 GLU HG3 H 2.210 0.02 1 1094 . 151 ALA H H 8.380 0.02 1 1095 . 151 ALA N N 122.900 0.1 1 1096 . 151 ALA CA C 52.700 0.2 1 1097 . 151 ALA HA H 4.230 0.02 1 1098 . 151 ALA C C 176.400 0.1 1 1099 . 151 ALA CB C 18.800 0.2 1 1100 . 151 ALA HB H 1.390 0.02 1 1101 . 152 ALA H H 7.740 0.02 1 1102 . 152 ALA N N 121.540 0.1 1 1103 . 152 ALA CA C 52.000 0.2 1 1104 . 152 ALA HA H 4.460 0.02 1 1105 . 152 ALA C C 177.200 0.1 1 1106 . 152 ALA CB C 20.800 0.2 1 1107 . 152 ALA HB H 1.390 0.02 1 1108 . 153 ASP H H 8.270 0.02 1 1109 . 153 ASP N N 119.800 0.1 1 1110 . 153 ASP CA C 53.800 0.2 1 1111 . 153 ASP HA H 4.590 0.02 1 1112 . 153 ASP CB C 42.200 0.2 1 1113 . 153 ASP HB2 H 2.600 0.02 2 1114 . 153 ASP HB3 H 2.690 0.02 2 1115 . 154 VAL H H 8.700 0.02 1 1116 . 154 VAL N N 128.200 0.1 1 1117 . 154 VAL CA C 65.000 0.2 1 1118 . 154 VAL HA H 4.050 0.02 1 1119 . 154 VAL C C 177.000 0.1 1 1120 . 154 VAL CB C 32.300 0.2 1 1121 . 154 VAL HB H 2.270 0.02 1 1122 . 154 VAL CG1 C 20.200 0.2 1 1123 . 154 VAL HG1 H 1.180 0.02 1 1124 . 154 VAL CG2 C 20.200 0.2 1 1125 . 154 VAL HG2 H 1.180 0.02 1 1126 . 155 ARG H H 8.230 0.02 1 1127 . 155 ARG N N 124.200 0.1 1 1128 . 155 ARG C C 177.400 0.1 1 1129 . 156 GLN H H 7.810 0.02 1 1130 . 156 GLN N N 114.600 0.1 1 1131 . 156 GLN CA C 57.200 0.2 1 1132 . 156 GLN HA H 4.120 0.02 1 1133 . 156 GLN C C 176.500 0.1 1 1134 . 156 GLN CB C 29.400 0.2 1 1135 . 156 GLN CG C 34.100 0.2 1 1136 . 156 GLN NE2 N 112.000 0.1 1 1137 . 156 GLN HE21 H 7.460 0.02 2 1138 . 156 GLN HE22 H 6.730 0.02 2 1139 . 157 SER H H 7.980 0.02 1 1140 . 157 SER N N 110.600 0.1 1 1141 . 157 SER CA C 59.300 0.2 1 1142 . 157 SER HA H 4.540 0.02 1 1143 . 157 SER C C 173.700 0.1 1 1144 . 157 SER CB C 65.100 0.2 1 1145 . 157 SER HB2 H 3.840 0.02 2 1146 . 157 SER HB3 H 3.960 0.02 2 1147 . 158 PHE H H 7.910 0.02 1 1148 . 158 PHE N N 121.100 0.1 1 1149 . 158 PHE CA C 59.500 0.2 1 1150 . 158 PHE HA H 4.740 0.02 1 1151 . 158 PHE C C 175.000 0.1 1 1152 . 158 PHE CB C 41.900 0.2 1 1153 . 158 PHE HB2 H 2.900 0.02 2 1154 . 158 PHE HB3 H 3.470 0.02 2 1155 . 158 PHE HD1 H 7.200 0.02 1 1156 . 158 PHE HD2 H 7.200 0.02 1 1157 . 159 CYS H H 8.240 0.02 1 1158 . 159 CYS N N 115.300 0.1 1 1159 . 159 CYS CA C 62.200 0.2 1 1160 . 159 CYS C C 176.200 0.1 1 1161 . 159 CYS CB C 28.300 0.2 1 1162 . 160 CYS H H 7.560 0.02 1 1163 . 160 CYS N N 111.600 0.1 1 1164 . 160 CYS CA C 60.000 0.2 1 1165 . 160 CYS HA H 4.120 0.02 1 1166 . 160 CYS C C 172.900 0.1 1 1167 . 160 CYS CB C 27.000 0.2 1 1168 . 160 CYS HB2 H 2.530 0.02 2 1169 . 160 CYS HB3 H 2.700 0.02 2 1170 . 161 HIS H H 7.130 0.02 1 1171 . 161 HIS N N 117.500 0.1 1 1172 . 161 HIS CA C 55.100 0.2 1 1173 . 161 HIS HA H 4.970 0.02 1 1174 . 161 HIS C C 173.400 0.1 1 1175 . 161 HIS CB C 33.200 0.2 1 1176 . 161 HIS HB2 H 2.570 0.02 2 1177 . 161 HIS HB3 H 3.350 0.02 2 1178 . 161 HIS HD2 H 6.820 0.02 1 1179 . 162 VAL H H 6.520 0.02 1 1180 . 162 VAL N N 123.100 0.1 1 1181 . 162 VAL CA C 61.200 0.2 1 1182 . 162 VAL HA H 4.140 0.02 1 1183 . 162 VAL C C 173.600 0.1 1 1184 . 162 VAL CB C 32.300 0.2 1 1185 . 162 VAL HB H 1.290 0.02 1 1186 . 162 VAL CG1 C 21.300 0.2 2 1187 . 162 VAL HG1 H 0.760 0.02 2 1188 . 162 VAL CG2 C 19.100 0.2 2 1189 . 162 VAL HG2 H -0.030 0.02 2 1190 . 163 HIS H H 7.580 0.02 1 1191 . 163 HIS N N 123.600 0.1 1 1192 . 163 HIS CA C 53.000 0.2 1 1193 . 163 HIS HA H 5.350 0.02 1 1194 . 163 HIS C C 175.400 0.1 1 1195 . 163 HIS CB C 33.700 0.2 1 1196 . 163 HIS HB2 H 2.600 0.02 1 1197 . 163 HIS HB3 H 2.600 0.02 1 1198 . 163 HIS HD2 H 6.360 0.02 1 1199 . 164 PHE H H 7.890 0.02 1 1200 . 164 PHE N N 113.700 0.1 1 1201 . 164 PHE CA C 57.300 0.2 1 1202 . 164 PHE HA H 5.620 0.02 1 1203 . 164 PHE C C 175.100 0.1 1 1204 . 164 PHE CB C 43.100 0.2 1 1205 . 164 PHE HB2 H 2.780 0.02 2 1206 . 164 PHE HB3 H 2.920 0.02 2 1207 . 164 PHE CD1 C 132.100 0.2 1 1208 . 164 PHE HD1 H 7.200 0.02 1 1209 . 164 PHE CD2 C 132.100 0.2 1 1210 . 164 PHE HD2 H 7.200 0.02 1 1211 . 165 PHE H H 8.730 0.02 1 1212 . 165 PHE N N 113.400 0.1 1 1213 . 165 PHE CA C 55.500 0.2 1 1214 . 165 PHE HA H 5.870 0.02 1 1215 . 165 PHE C C 176.800 0.1 1 1216 . 165 PHE CB C 45.900 0.2 1 1217 . 165 PHE HB2 H 2.450 0.02 1 1218 . 165 PHE HB3 H 3.160 0.02 1 1219 . 166 ALA H H 10.840 0.02 1 1220 . 166 ALA N N 122.400 0.1 1 1221 . 166 ALA CA C 55.200 0.2 1 1222 . 166 ALA HA H 3.820 0.02 1 1223 . 166 ALA C C 175.600 0.1 1 1224 . 166 ALA CB C 19.030 0.2 1 1225 . 166 ALA HB H 1.530 0.02 1 1226 . 167 SER H H 7.180 0.02 1 1227 . 167 SER N N 103.400 0.1 1 1228 . 167 SER CA C 56.200 0.2 1 1229 . 167 SER HA H 4.980 0.02 1 1230 . 167 SER C C 173.700 0.1 1 1231 . 167 SER CB C 66.400 0.2 1 1232 . 167 SER HB2 H 4.030 0.02 2 1233 . 167 SER HB3 H 4.080 0.02 2 1234 . 168 VAL H H 9.380 0.02 1 1235 . 168 VAL N N 121.300 0.1 1 1236 . 168 VAL CA C 68.200 0.2 1 1237 . 168 VAL HA H 3.640 0.02 1 1238 . 168 VAL CB C 29.600 0.2 1 1239 . 168 VAL HB H 2.350 0.02 1 1240 . 168 VAL CG1 C 23.000 0.2 2 1241 . 168 VAL HG1 H 0.990 0.02 2 1242 . 168 VAL CG2 C 21.000 0.2 2 1243 . 168 VAL HG2 H 0.870 0.02 2 1244 . 169 PRO CA C 66.400 0.2 1 1245 . 169 PRO HA H 4.400 0.02 1 1246 . 169 PRO C C 180.100 0.1 1 1247 . 169 PRO CB C 31.000 0.2 1 1248 . 169 PRO HB2 H 1.820 0.02 2 1249 . 169 PRO HB3 H 2.370 0.02 2 1250 . 169 PRO CG C 28.500 0.2 1 1251 . 169 PRO HG2 H 2.010 0.02 2 1252 . 169 PRO HG3 H 2.170 0.02 2 1253 . 169 PRO CD C 49.100 0.2 1 1254 . 169 PRO HD2 H 3.770 0.02 1 1255 . 169 PRO HD3 H 3.770 0.02 1 1256 . 170 THR H H 7.630 0.02 1 1257 . 170 THR N N 113.900 0.1 1 1258 . 170 THR CA C 66.600 0.2 1 1259 . 170 THR HA H 3.990 0.02 1 1260 . 170 THR C C 176.300 0.1 1 1261 . 170 THR CB C 68.900 0.2 1 1262 . 170 THR HB H 4.190 0.02 1 1263 . 170 THR CG2 C 23.700 0.2 1 1264 . 170 THR HG2 H 1.440 0.02 1 1265 . 171 ALA H H 7.740 0.02 1 1266 . 171 ALA N N 126.200 0.1 1 1267 . 171 ALA CA C 54.800 0.2 1 1268 . 171 ALA HA H 3.240 0.02 1 1269 . 171 ALA C C 179.200 0.1 1 1270 . 171 ALA CB C 19.600 0.2 1 1271 . 171 ALA HB H 0.910 0.02 1 1272 . 172 GLU H H 8.910 0.02 1 1273 . 172 GLU N N 118.500 0.1 1 1274 . 172 GLU CA C 59.700 0.2 1 1275 . 172 GLU HA H 3.930 0.02 1 1276 . 172 GLU C C 180.000 0.1 1 1277 . 172 GLU CB C 29.300 0.2 1 1278 . 172 GLU HB2 H 1.940 0.02 2 1279 . 172 GLU HB3 H 2.110 0.02 2 1280 . 172 GLU CG C 37.200 0.2 1 1281 . 172 GLU HG2 H 2.040 0.02 2 1282 . 172 GLU HG3 H 2.430 0.02 2 1283 . 173 ASP H H 7.950 0.02 1 1284 . 173 ASP N N 121.600 0.1 1 1285 . 173 ASP CA C 57.600 0.2 1 1286 . 173 ASP HA H 4.430 0.02 1 1287 . 173 ASP C C 179.000 0.1 1 1288 . 173 ASP CB C 41.400 0.2 1 1289 . 173 ASP HB2 H 2.820 0.02 1 1290 . 173 ASP HB3 H 2.820 0.02 1 1291 . 174 TRP H H 7.990 0.02 1 1292 . 174 TRP N N 122.900 0.1 1 1293 . 174 TRP CA C 62.100 0.2 1 1294 . 174 TRP HA H 4.200 0.02 1 1295 . 174 TRP C C 179.800 0.1 1 1296 . 174 TRP CB C 29.100 0.2 1 1297 . 174 TRP HB2 H 3.280 0.02 2 1298 . 174 TRP HB3 H 3.540 0.02 2 1299 . 174 TRP CD1 C 126.200 0.2 1 1300 . 174 TRP HD1 H 7.390 0.02 1 1301 . 174 TRP NE1 N 130.100 0.1 1 1302 . 174 TRP HE1 H 10.220 0.02 1 1303 . 175 ALA H H 9.390 0.02 1 1304 . 175 ALA N N 124.300 0.1 1 1305 . 175 ALA CA C 55.600 0.2 1 1306 . 175 ALA HA H 3.690 0.02 1 1307 . 175 ALA C C 180.300 0.1 1 1308 . 175 ALA CB C 18.000 0.2 1 1309 . 175 ALA HB H 1.540 0.02 1 1310 . 176 SER H H 7.940 0.02 1 1311 . 176 SER N N 114.700 0.1 1 1312 . 176 SER CA C 61.300 0.2 1 1313 . 176 SER HA H 4.210 0.02 1 1314 . 176 SER C C 175.300 0.1 1 1315 . 176 SER CB C 63.200 0.2 1 1316 . 176 SER HB2 H 4.040 0.02 1 1317 . 176 SER HB3 H 4.040 0.02 1 1318 . 177 LYS H H 7.210 0.02 1 1319 . 177 LYS N N 119.900 0.1 1 1320 . 177 LYS CA C 56.200 0.2 1 1321 . 177 LYS HA H 4.230 0.02 1 1322 . 177 LYS C C 175.800 0.1 1 1323 . 177 LYS CB C 32.400 0.2 1 1324 . 177 LYS HB2 H 1.450 0.02 2 1325 . 177 LYS HB3 H 1.720 0.02 2 1326 . 177 LYS CG C 25.300 0.2 1 1327 . 177 LYS HG2 H 1.330 0.02 2 1328 . 177 LYS HG3 H 1.390 0.02 2 1329 . 177 LYS CD C 29.000 0.2 1 1330 . 177 LYS HD2 H 1.600 0.02 1 1331 . 177 LYS HD3 H 1.600 0.02 1 1332 . 177 LYS CE C 42.400 0.2 1 1333 . 177 LYS HE2 H 2.910 0.02 1 1334 . 177 LYS HE3 H 2.910 0.02 1 1335 . 178 HIS H H 7.460 0.02 1 1336 . 178 HIS N N 120.500 0.1 1 1337 . 178 HIS CA C 56.100 0.2 1 1338 . 178 HIS HA H 4.440 0.02 1 1339 . 178 HIS C C 174.090 0.1 1 1340 . 178 HIS CB C 29.000 0.2 1 1341 . 178 HIS HB2 H 1.910 0.02 2 1342 . 178 HIS HB3 H 2.950 0.02 2 1343 . 178 HIS HD2 H 6.420 0.02 1 1344 . 179 GLN H H 7.830 0.02 1 1345 . 179 GLN N N 117.500 0.1 1 1346 . 179 GLN CA C 57.200 0.2 1 1347 . 179 GLN HA H 4.120 0.02 1 1348 . 179 GLN C C 176.700 0.1 1 1349 . 179 GLN CB C 29.100 0.2 1 1350 . 179 GLN HB2 H 1.910 0.02 2 1351 . 179 GLN HB3 H 2.110 0.02 2 1352 . 179 GLN CG C 34.200 0.2 1 1353 . 179 GLN HG2 H 2.350 0.02 1 1354 . 179 GLN HG3 H 2.350 0.02 1 1355 . 179 GLN NE2 N 112.900 0.1 1 1356 . 179 GLN HE21 H 7.450 0.02 2 1357 . 179 GLN HE22 H 6.860 0.02 2 1358 . 180 GLY H H 8.640 0.02 1 1359 . 180 GLY N N 108.800 0.1 1 1360 . 180 GLY CA C 45.300 0.2 1 1361 . 180 GLY HA2 H 3.880 0.02 1 1362 . 180 GLY HA3 H 3.880 0.02 1 1363 . 180 GLY C C 174.500 0.1 1 1364 . 181 LEU H H 7.410 0.02 1 1365 . 181 LEU N N 121.300 0.1 1 1366 . 181 LEU CA C 54.000 0.2 1 1367 . 181 LEU HA H 4.350 0.02 1 1368 . 181 LEU C C 176.700 0.1 1 1369 . 181 LEU CB C 41.800 0.2 1 1370 . 181 LEU HB2 H 1.200 0.02 2 1371 . 181 LEU HB3 H 1.830 0.02 2 1372 . 181 LEU CG C 26.600 0.2 1 1373 . 181 LEU CD1 C 25.100 0.2 2 1374 . 181 LEU HD1 H 0.640 0.02 2 1375 . 181 LEU CD2 C 22.100 0.2 2 1376 . 181 LEU HD2 H 0.420 0.02 2 1377 . 181 LEU HG H 1.500 0.02 1 1378 . 182 GLU H H 8.770 0.02 1 1379 . 182 GLU N N 126.700 0.1 1 1380 . 182 GLU CA C 57.500 0.2 1 1381 . 182 GLU HA H 4.120 0.02 1 1382 . 182 GLU C C 177.600 0.1 1 1383 . 182 GLU CB C 29.700 0.2 1 1384 . 182 GLU HB2 H 1.990 0.02 1 1385 . 182 GLU HB3 H 1.990 0.02 1 1386 . 182 GLU CG C 36.100 0.2 1 1387 . 182 GLU HG2 H 2.230 0.02 1 1388 . 182 GLU HG3 H 2.230 0.02 1 1389 . 183 GLY H H 9.020 0.02 1 1390 . 183 GLY N N 113.100 0.1 1 1391 . 183 GLY HA2 H 3.840 0.02 1 1392 . 183 GLY HA3 H 3.840 0.02 1 1393 . 184 LEU CA C 56.000 0.2 1 1394 . 184 LEU HA H 5.070 0.02 1 1395 . 184 LEU C C 176.300 0.1 1 1396 . 184 LEU CB C 42.100 0.2 1 1397 . 184 LEU HB2 H 1.500 0.02 2 1398 . 184 LEU HB3 H 1.830 0.02 2 1399 . 184 LEU CG C 27.500 0.2 1 1400 . 184 LEU CD1 C 27.500 0.2 2 1401 . 184 LEU HD1 H 1.040 0.02 2 1402 . 184 LEU CD2 C 23.900 0.2 2 1403 . 184 LEU HD2 H 1.130 0.02 2 1404 . 184 LEU HG H 1.560 0.02 1 1405 . 185 ALA H H 9.210 0.02 1 1406 . 185 ALA N N 130.800 0.1 1 1407 . 185 ALA CA C 51.300 0.2 1 1408 . 185 ALA HA H 4.600 0.02 1 1409 . 185 ALA C C 174.200 0.1 1 1410 . 185 ALA CB C 22.000 0.2 1 1411 . 185 ALA HB H 1.210 0.02 1 1412 . 186 ILE H H 8.440 0.02 1 1413 . 186 ILE N N 119.900 0.1 1 1414 . 186 ILE CA C 57.500 0.2 1 1415 . 186 ILE HA H 4.800 0.02 1 1416 . 186 ILE C C 176.300 0.1 1 1417 . 186 ILE CB C 36.800 0.2 1 1418 . 186 ILE HB H 2.020 0.02 1 1419 . 186 ILE CG2 C 20.000 0.2 1 1420 . 186 ILE HG2 H 0.760 0.02 1 1421 . 186 ILE CG1 C 25.800 0.2 1 1422 . 186 ILE HG12 H 0.950 0.02 2 1423 . 186 ILE HG13 H 1.540 0.02 2 1424 . 186 ILE CD1 C 10.200 0.2 1 1425 . 186 ILE HD1 H 0.580 0.02 1 1426 . 187 VAL H H 8.770 0.02 1 1427 . 187 VAL N N 119.000 0.1 1 1428 . 187 VAL CA C 58.000 0.2 1 1429 . 187 VAL HA H 4.930 0.02 1 1430 . 187 VAL C C 175.100 0.1 1 1431 . 187 VAL CB C 35.700 0.2 1 1432 . 187 VAL HB H 2.430 0.02 1 1433 . 187 VAL CG1 C 22.200 0.2 2 1434 . 187 VAL HG1 H 0.770 0.02 2 1435 . 187 VAL CG2 C 18.800 0.2 2 1436 . 187 VAL HG2 H 0.670 0.02 2 1437 . 188 SER H H 9.300 0.02 1 1438 . 188 SER N N 117.200 0.1 1 1439 . 188 SER CA C 58.400 0.2 1 1440 . 188 SER HA H 4.560 0.02 1 1441 . 188 SER C C 176.200 0.1 1 1442 . 188 SER CB C 65.000 0.2 1 1443 . 188 SER HB2 H 4.200 0.02 1 1444 . 188 SER HB3 H 4.200 0.02 1 1445 . 189 VAL H H 8.350 0.02 1 1446 . 189 VAL N N 120.100 0.1 1 1447 . 189 VAL CA C 65.600 0.2 1 1448 . 189 VAL HA H 3.960 0.02 1 1449 . 189 VAL C C 175.500 0.1 1 1450 . 189 VAL CB C 32.000 0.2 1 1451 . 189 VAL HB H 1.720 0.02 1 1452 . 189 VAL CG1 C 23.100 0.2 2 1453 . 189 VAL HG1 H 1.000 0.02 2 1454 . 189 VAL CG2 C 20.100 0.2 2 1455 . 189 VAL HG2 H 0.770 0.02 2 1456 . 190 HIS H H 7.450 0.02 1 1457 . 190 HIS N N 120.300 0.1 1 1458 . 190 HIS CA C 60.700 0.2 1 1459 . 190 HIS HA H 4.240 0.02 1 1460 . 190 HIS C C 179.200 0.1 1 1461 . 190 HIS CB C 30.900 0.2 1 1462 . 190 HIS HB2 H 2.960 0.02 2 1463 . 190 HIS HB3 H 3.230 0.02 2 1464 . 191 GLU H H 7.970 0.02 1 1465 . 191 GLU N N 123.030 0.1 1 1466 . 191 GLU CA C 59.300 0.2 1 1467 . 191 GLU HA H 4.220 0.02 1 1468 . 191 GLU C C 179.900 0.1 1 1469 . 191 GLU CB C 30.100 0.2 1 1470 . 191 GLU HB2 H 2.000 0.02 1 1471 . 191 GLU HB3 H 2.000 0.02 1 1472 . 191 GLU CG C 37.200 0.2 1 1473 . 191 GLU HG2 H 2.260 0.02 2 1474 . 191 GLU HG3 H 2.400 0.02 2 1475 . 192 ALA H H 8.410 0.02 1 1476 . 192 ALA N N 121.800 0.1 1 1477 . 192 ALA CA C 55.000 0.2 1 1478 . 192 ALA HA H 3.860 0.02 1 1479 . 192 ALA C C 178.000 0.1 1 1480 . 192 ALA CB C 17.700 0.2 1 1481 . 192 ALA HB H 1.250 0.02 1 1482 . 193 PHE H H 8.770 0.02 1 1483 . 193 PHE N N 118.800 0.1 1 1484 . 193 PHE CA C 62.500 0.2 1 1485 . 193 PHE HA H 3.960 0.02 1 1486 . 193 PHE C C 178.300 0.1 1 1487 . 193 PHE CB C 39.200 0.2 1 1488 . 193 PHE HB2 H 3.160 0.02 2 1489 . 193 PHE HB3 H 3.340 0.02 2 1490 . 194 GLY H H 8.100 0.02 1 1491 . 194 GLY N N 107.500 0.1 1 1492 . 194 GLY CA C 47.300 0.2 1 1493 . 194 GLY HA2 H 4.050 0.02 1 1494 . 194 GLY HA3 H 4.050 0.02 1 1495 . 194 GLY C C 176.800 0.1 1 1496 . 195 LEU H H 7.990 0.02 1 1497 . 195 LEU N N 124.800 0.1 1 1498 . 195 LEU CA C 58.300 0.2 1 1499 . 195 LEU HA H 4.110 0.02 1 1500 . 195 LEU C C 179.300 0.1 1 1501 . 195 LEU CB C 41.300 0.2 1 1502 . 195 LEU HB2 H 1.780 0.02 1 1503 . 195 LEU HB3 H 1.780 0.02 1 1504 . 196 GLY H H 8.350 0.02 1 1505 . 196 GLY N N 107.900 0.1 1 1506 . 196 GLY CA C 47.600 0.2 1 1507 . 196 GLY HA2 H 3.390 0.02 2 1508 . 196 GLY HA3 H 3.720 0.02 2 1509 . 196 GLY C C 175.000 0.1 1 1510 . 197 GLN H H 7.780 0.02 1 1511 . 197 GLN N N 119.200 0.1 1 1512 . 197 GLN CA C 59.000 0.2 1 1513 . 197 GLN HA H 3.960 0.02 1 1514 . 197 GLN C C 179.400 0.1 1 1515 . 197 GLN CB C 29.100 0.2 1 1516 . 197 GLN CG C 34.700 0.2 1 1517 . 197 GLN NE2 N 114.500 0.1 1 1518 . 197 GLN HE21 H 7.260 0.02 2 1519 . 197 GLN HE22 H 6.750 0.02 2 1520 . 198 GLU H H 7.610 0.02 1 1521 . 198 GLU N N 120.900 0.1 1 1522 . 198 GLU CA C 58.800 0.2 1 1523 . 198 GLU CB C 29.600 0.2 1 1524 . 199 PHE CA C 62.300 0.2 1 1525 . 199 PHE C C 176.300 0.1 1 1526 . 199 PHE CB C 38.800 0.2 1 1527 . 200 ASN H H 8.570 0.02 1 1528 . 200 ASN N N 118.500 0.1 1 1529 . 200 ASN CA C 55.600 0.2 1 1530 . 200 ASN HA H 4.280 0.02 1 1531 . 200 ASN C C 177.700 0.1 1 1532 . 200 ASN CB C 38.000 0.2 1 1533 . 200 ASN HB2 H 2.440 0.02 2 1534 . 200 ASN HB3 H 2.800 0.02 2 1535 . 201 ARG H H 7.820 0.02 1 1536 . 201 ARG N N 119.600 0.1 1 1537 . 201 ARG CA C 59.900 0.2 1 1538 . 201 ARG HA H 3.890 0.02 1 1539 . 201 ARG C C 179.400 0.1 1 1540 . 201 ARG CB C 30.100 0.2 1 1541 . 201 ARG HB2 H 1.850 0.02 1 1542 . 201 ARG HB3 H 1.850 0.02 1 1543 . 201 ARG CG C 27.600 0.2 1 1544 . 201 ARG HG2 H 1.650 0.02 2 1545 . 201 ARG CD C 43.500 0.2 1 1546 . 201 ARG HD2 H 3.120 0.02 1 1547 . 201 ARG HD3 H 3.120 0.02 1 1548 . 202 HIS H H 7.690 0.02 1 1549 . 202 HIS N N 117.200 0.1 1 1550 . 202 HIS CA C 59.800 0.2 1 1551 . 202 HIS CB C 30.900 0.2 1 1552 . 203 LEU C C 179.700 0.1 1 1553 . 204 LEU H H 8.440 0.02 1 1554 . 204 LEU N N 118.300 0.1 1 1555 . 204 LEU CA C 57.700 0.2 1 1556 . 204 LEU C C 179.640 0.1 1 1557 . 204 LEU CB C 41.600 0.2 1 1558 . 205 GLN H H 7.540 0.02 1 1559 . 205 GLN N N 117.420 0.1 1 1560 . 205 GLN CA C 57.600 0.2 1 1561 . 205 GLN HA H 4.170 0.02 1 1562 . 205 GLN C C 177.100 0.1 1 1563 . 205 GLN CB C 28.600 0.2 1 1564 . 205 GLN HB2 H 2.170 0.02 1 1565 . 205 GLN HB3 H 2.170 0.02 1 1566 . 205 GLN CG C 34.100 0.2 1 1567 . 205 GLN HG2 H 2.420 0.02 2 1568 . 205 GLN HG3 H 2.470 0.02 2 1569 . 205 GLN NE2 N 111.300 0.1 1 1570 . 205 GLN HE21 H 7.370 0.02 2 1571 . 205 GLN HE22 H 6.720 0.02 2 1572 . 206 THR H H 7.720 0.02 1 1573 . 206 THR N N 111.600 0.1 1 1574 . 206 THR CA C 63.200 0.2 1 1575 . 206 THR HA H 4.280 0.02 1 1576 . 206 THR CB C 69.400 0.2 1 1577 . 206 THR HB H 4.340 0.02 1 1578 . 206 THR CG2 C 21.600 0.2 1 1579 . 206 THR HG2 H 1.260 0.02 1 1580 . 209 SER CA C 58.300 0.2 1 1581 . 209 SER HA H 4.490 0.02 1 1582 . 209 SER C C 174.300 0.1 1 1583 . 209 SER CB C 63.900 0.2 1 1584 . 209 SER HB2 H 3.900 0.02 1 1585 . 209 SER HB3 H 3.900 0.02 1 1586 . 210 ARG H H 8.210 0.02 1 1587 . 210 ARG N N 122.700 0.1 1 1588 . 210 ARG CA C 56.000 0.2 1 1589 . 210 ARG HA H 4.440 0.02 1 1590 . 210 ARG C C 176.100 0.1 1 1591 . 210 ARG CB C 31.000 0.2 1 1592 . 210 ARG HB2 H 1.800 0.02 2 1593 . 210 ARG HB3 H 1.900 0.02 2 1594 . 210 ARG CG C 26.900 0.2 1 1595 . 210 ARG HG2 H 1.640 0.02 1 1596 . 210 ARG HG3 H 1.640 0.02 1 1597 . 210 ARG CD C 43.400 0.2 1 1598 . 210 ARG HD2 H 3.210 0.02 1 1599 . 210 ARG HD3 H 3.210 0.02 1 1600 . 211 THR H H 8.210 0.02 1 1601 . 211 THR N N 118.200 0.1 1 1602 . 211 THR CA C 59.700 0.2 1 1603 . 211 THR HA H 4.590 0.02 1 1604 . 211 THR CB C 69.900 0.2 1 1605 . 211 THR HB H 4.190 0.02 1 1606 . 211 THR CG2 C 21.300 0.2 1 1607 . 211 THR HG2 H 1.260 0.02 1 1608 . 212 PRO CA C 65.000 0.2 1 1609 . 212 PRO HA H 4.230 0.02 1 1610 . 212 PRO CB C 32.000 0.2 1 1611 . 212 PRO HB2 H 2.230 0.02 2 1612 . 212 PRO HB3 H 1.890 0.02 2 1613 . 212 PRO CG C 27.400 0.2 1 1614 . 212 PRO HG2 H 2.000 0.02 2 1615 . 212 PRO HG3 H 1.940 0.02 2 1616 . 212 PRO CD C 50.700 0.2 1 1617 . 212 PRO HD2 H 3.800 0.02 2 1618 . 212 PRO HD3 H 3.690 0.02 2 stop_ save_