data_5630 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H 13C and 15N Assigned Chemical Shifts for ER75, an NESG target ; _BMRB_accession_number 5630 _BMRB_flat_file_name bmr5630.str _Entry_type original _Submission_date 2002-12-18 _Accession_date 2002-12-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Szyperski Thomas . . 3 Montelione Gaetano . . 4 Chiang Yiwen . . 5 Acton Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 864 "13C chemical shifts" 612 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-12-22 original author . stop_ _Original_release_date 2005-12-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; High-quality homology models derived from NMR and X-ray structures of E. coli proteins YgdK and Suf E suggest that all members of the YgdK/Suf E protein family are enhancers of cysteine desulfurases ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15930006 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Chiang Yiwen . . 3 Acton Thomas . . 4 Li Z. . . 5 Murray D. . . 6 Montelione Gaetano . . 7 Szyperski Thomas . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 14 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1597 _Page_last 1608 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_er75 _Saveframe_category molecular_system _Mol_system_name 'ER75 monomer' _Abbreviation_common er75 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'er75 monomer' $er75_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_er75_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common er75 _Abbreviation_common er75 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; MTNPQFAGHPFGTTVTAETL RNTFAPLTQWEDKYRQLIML GKQLPALPDELKAQAKEIAG CENRVWLGYTVAENGKMHFF GDSEGRIVRGLLAVLLTAVE GKTAAELQAQSPLALFDELG LRAQLSASRSQGLNALSEAI IAATKQVLE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ASN 4 PRO 5 GLN 6 PHE 7 ALA 8 GLY 9 HIS 10 PRO 11 PHE 12 GLY 13 THR 14 THR 15 VAL 16 THR 17 ALA 18 GLU 19 THR 20 LEU 21 ARG 22 ASN 23 THR 24 PHE 25 ALA 26 PRO 27 LEU 28 THR 29 GLN 30 TRP 31 GLU 32 ASP 33 LYS 34 TYR 35 ARG 36 GLN 37 LEU 38 ILE 39 MET 40 LEU 41 GLY 42 LYS 43 GLN 44 LEU 45 PRO 46 ALA 47 LEU 48 PRO 49 ASP 50 GLU 51 LEU 52 LYS 53 ALA 54 GLN 55 ALA 56 LYS 57 GLU 58 ILE 59 ALA 60 GLY 61 CYS 62 GLU 63 ASN 64 ARG 65 VAL 66 TRP 67 LEU 68 GLY 69 TYR 70 THR 71 VAL 72 ALA 73 GLU 74 ASN 75 GLY 76 LYS 77 MET 78 HIS 79 PHE 80 PHE 81 GLY 82 ASP 83 SER 84 GLU 85 GLY 86 ARG 87 ILE 88 VAL 89 ARG 90 GLY 91 LEU 92 LEU 93 ALA 94 VAL 95 LEU 96 LEU 97 THR 98 ALA 99 VAL 100 GLU 101 GLY 102 LYS 103 THR 104 ALA 105 ALA 106 GLU 107 LEU 108 GLN 109 ALA 110 GLN 111 SER 112 PRO 113 LEU 114 ALA 115 LEU 116 PHE 117 ASP 118 GLU 119 LEU 120 GLY 121 LEU 122 ARG 123 ALA 124 GLN 125 LEU 126 SER 127 ALA 128 SER 129 ARG 130 SER 131 GLN 132 GLY 133 LEU 134 ASN 135 ALA 136 LEU 137 SER 138 GLU 139 ALA 140 ILE 141 ILE 142 ALA 143 ALA 144 THR 145 LYS 146 GLN 147 VAL 148 LEU 149 GLU 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 1NI7 "Northeast Structural Genomic Consortium Target Er75" 99.33 155 100.00 100.00 4.94e-102 PDB 4LW4 "Structural Changes During Cysteine Desulfurase Csda And Sulfur- Acceptor Csde Interactions Provide Insight Into The Trans- Pers" 98.66 150 99.32 99.32 9.70e-101 DBJ BAB37094 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 98.66 147 100.00 100.00 1.49e-101 DBJ BAE76883 "predicted Fe-S metabolism protein [Escherichia coli str. K-12 substr. W3110]" 98.66 147 100.00 100.00 1.49e-101 DBJ BAG78595 "conserved hypothetical protein [Escherichia coli SE11]" 98.66 147 97.96 98.64 1.00e-99 DBJ BAI27072 "predicted Fe-S metabolism protein [Escherichia coli O26:H11 str. 11368]" 98.66 147 99.32 99.32 7.13e-101 DBJ BAI32101 "predicted Fe-S metabolism protein [Escherichia coli O103:H2 str. 12009]" 98.66 147 97.28 97.96 3.30e-99 EMBL CAP77244 "Uncharacterized sufE-like protein ygdK [Escherichia coli LF82]" 98.66 147 97.96 98.64 6.42e-99 EMBL CAQ33140 "CSD sulfur transfer protein [Escherichia coli BL21(DE3)]" 98.66 147 100.00 100.00 1.49e-101 EMBL CAQ99739 "putative Fe-S metabolism protein (sufE-like) [Escherichia coli IAI1]" 98.66 147 98.64 99.32 1.84e-100 EMBL CAR04321 "putative Fe-S metabolism protein (sufE-like) [Escherichia coli S88]" 98.66 147 98.64 99.32 5.15e-100 EMBL CAR09425 "putative Fe-S metabolism protein (sufE-like) [Escherichia coli ED1a]" 98.66 147 97.96 98.64 3.12e-99 GB AAB40461 "ORF_o147 [Escherichia coli str. K-12 substr. MG1655]" 98.66 147 100.00 100.00 1.49e-101 GB AAC75853 "CsdA-binding activator; Fe-S protein [Escherichia coli str. K-12 substr. MG1655]" 98.66 147 100.00 100.00 1.49e-101 GB AAG57925 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 98.66 147 100.00 100.00 1.49e-101 GB AAN44312 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 98.66 147 98.64 100.00 2.37e-100 GB AAN81827 "Hypothetical protein ygdK [Escherichia coli CFT073]" 98.66 147 98.64 99.32 5.15e-100 REF NP_289366 "hypothetical protein Z4128 [Escherichia coli O157:H7 str. EDL933]" 98.66 147 100.00 100.00 1.49e-101 REF NP_311698 "hypothetical protein ECs3671 [Escherichia coli O157:H7 str. Sakai]" 98.66 147 100.00 100.00 1.49e-101 REF NP_417291 "CsdA-binding activator; Fe-S protein [Escherichia coli str. K-12 substr. MG1655]" 98.66 147 100.00 100.00 1.49e-101 REF NP_708605 "CsdA-binding activator [Shigella flexneri 2a str. 301]" 98.66 147 98.64 100.00 2.37e-100 REF NP_755257 "hypothetical protein c3382 [Escherichia coli CFT073]" 98.66 147 98.64 99.32 5.15e-100 SP P0AGF2 "RecName: Full=Sulfur acceptor protein CsdE [Escherichia coli K-12]" 98.66 147 100.00 100.00 1.49e-101 SP P0AGF3 "RecName: Full=Sulfur acceptor protein CsdE [Escherichia coli O157:H7]" 98.66 147 100.00 100.00 1.49e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $er75_monomer 'E. 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 $er75_monomer '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 $er75_monomer 1.0 mM [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $er75_monomer 1.0 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'er75 monomer' _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 ASN CA C 51.4 0.2 1 2 . 3 ASN HA H 5.01 0.02 1 3 . 3 ASN CB C 38.3 0.2 1 4 . 3 ASN HB2 H 2.71 0.02 2 5 . 3 ASN HB3 H 2.85 0.02 2 6 . 3 ASN ND2 N 113.8 0.2 1 7 . 3 ASN HD21 H 7.68 0.02 2 8 . 3 ASN HD22 H 7.02 0.02 2 9 . 4 PRO CD C 50.6 0.2 1 10 . 4 PRO CA C 63.2 0.2 1 11 . 4 PRO HA H 4.36 0.02 1 12 . 4 PRO CB C 31.8 0.2 1 13 . 4 PRO HB2 H 1.82 0.02 2 14 . 4 PRO HB3 H 2.22 0.02 2 15 . 4 PRO CG C 27.1 0.2 1 16 . 4 PRO HG2 H 1.99 0.02 1 17 . 4 PRO HG3 H 1.99 0.02 1 18 . 4 PRO HD2 H 3.71 0.02 2 19 . 4 PRO HD3 H 3.84 0.02 2 20 . 4 PRO C C 176.5 0.2 1 21 . 5 GLN N N 120.3 0.2 1 22 . 5 GLN H H 8.37 0.02 1 23 . 5 GLN CA C 55.6 0.2 1 24 . 5 GLN HA H 4.19 0.02 1 25 . 5 GLN CB C 29.2 0.2 1 26 . 5 GLN HB2 H 1.86 0.02 2 27 . 5 GLN HB3 H 1.90 0.02 2 28 . 5 GLN CG C 33.6 0.2 1 29 . 5 GLN HG2 H 2.22 0.02 1 30 . 5 GLN HG3 H 2.22 0.02 1 31 . 5 GLN NE2 N 112.7 0.2 1 32 . 5 GLN HE21 H 7.45 0.02 2 33 . 5 GLN HE22 H 6.83 0.02 2 34 . 5 GLN C C 175.3 0.2 1 35 . 6 PHE N N 122.1 0.2 1 36 . 6 PHE H H 8.14 0.02 1 37 . 6 PHE CA C 57.2 0.2 1 38 . 6 PHE HA H 4.53 0.02 1 39 . 6 PHE CB C 39.6 0.2 1 40 . 6 PHE HB2 H 2.95 0.02 1 41 . 6 PHE HB3 H 2.95 0.02 1 42 . 6 PHE HD1 H 7.17 0.02 1 43 . 6 PHE HD2 H 7.17 0.02 1 44 . 6 PHE HE1 H 7.26 0.02 1 45 . 6 PHE HE2 H 7.26 0.02 1 46 . 6 PHE C C 174.7 0.2 1 47 . 7 ALA N N 128.6 0.2 1 48 . 7 ALA H H 8.42 0.02 1 49 . 7 ALA CA C 51.9 0.2 1 50 . 7 ALA HA H 4.12 0.02 1 51 . 7 ALA HB H 1.08 0.02 1 52 . 7 ALA CB C 18.8 0.2 1 53 . 7 ALA C C 176.9 0.2 1 54 . 8 GLY N N 106.8 0.2 1 55 . 8 GLY H H 7.15 0.02 1 56 . 8 GLY CA C 44.7 0.2 1 57 . 8 GLY HA2 H 3.85 0.02 2 58 . 8 GLY C C 178.8 0.2 1 59 . 9 HIS N N 117.1 0.2 1 60 . 9 HIS H H 8.08 0.02 1 61 . 9 HIS CA C 54.1 0.2 1 62 . 9 HIS HA H 4.96 0.02 1 63 . 9 HIS CB C 31.4 0.2 1 64 . 9 HIS HB2 H 3.37 0.02 2 65 . 9 HIS HB3 H 3.42 0.02 2 66 . 9 HIS CD2 C 119.5 0.2 1 67 . 9 HIS CE1 C 136.7 0.2 1 68 . 9 HIS HD2 H 7.62 0.02 1 69 . 9 HIS HE1 H 8.45 0.02 1 70 . 10 PRO CD C 50.2 0.2 1 71 . 10 PRO CA C 64.0 0.2 1 72 . 10 PRO HA H 4.67 0.02 1 73 . 10 PRO CB C 32.4 0.2 1 74 . 10 PRO HB2 H 1.86 0.02 2 75 . 10 PRO HB3 H 2.01 0.02 2 76 . 10 PRO CG C 25.5 0.2 1 77 . 10 PRO HG2 H 0.52 0.02 2 78 . 10 PRO HG3 H 1.82 0.02 2 79 . 10 PRO HD2 H 3.36 0.02 2 80 . 10 PRO HD3 H 3.71 0.02 2 81 . 10 PRO C C 177.6 0.2 1 82 . 11 PHE N N 128.4 0.2 1 83 . 11 PHE H H 10.10 0.02 1 84 . 11 PHE CA C 61.1 0.2 1 85 . 11 PHE HA H 4.67 0.02 1 86 . 11 PHE CB C 36.5 0.2 1 87 . 11 PHE HB2 H 3.13 0.02 2 88 . 11 PHE HB3 H 3.56 0.02 2 89 . 11 PHE HD1 H 7.24 0.02 1 90 . 11 PHE HD2 H 7.24 0.02 1 91 . 11 PHE C C 177.3 0.2 1 92 . 12 GLY N N 114.7 0.2 1 93 . 12 GLY H H 10.03 0.02 1 94 . 12 GLY CA C 45.1 0.2 1 95 . 12 GLY HA2 H 4.10 0.02 2 96 . 12 GLY HA3 H 4.71 0.02 2 97 . 12 GLY C C 173.9 0.2 1 98 . 13 THR N N 111.3 0.2 1 99 . 13 THR H H 7.48 0.02 1 100 . 13 THR CA C 61.3 0.2 1 101 . 13 THR HA H 4.54 0.02 1 102 . 13 THR CB C 69.2 0.2 1 103 . 13 THR HB H 4.18 0.02 1 104 . 13 THR HG2 H 1.24 0.02 1 105 . 13 THR HG1 H 6.06 0.02 1 106 . 13 THR CG2 C 21.9 0.2 1 107 . 13 THR C C 173.9 0.2 1 108 . 14 THR N N 116.2 0.2 1 109 . 14 THR H H 8.30 0.02 1 110 . 14 THR CA C 63.8 0.2 1 111 . 14 THR HA H 4.29 0.02 1 112 . 14 THR CB C 68.9 0.2 1 113 . 14 THR HB H 4.24 0.02 1 114 . 14 THR HG2 H 1.27 0.02 1 115 . 14 THR CG2 C 22.2 0.2 1 116 . 14 THR C C 175.1 0.2 1 117 . 15 VAL N N 124.6 0.2 1 118 . 15 VAL H H 8.08 0.02 1 119 . 15 VAL CA C 62.4 0.2 1 120 . 15 VAL HA H 4.29 0.02 1 121 . 15 VAL CB C 32.5 0.2 1 122 . 15 VAL HB H 2.00 0.02 1 123 . 15 VAL HG1 H 1.14 0.02 2 124 . 15 VAL HG2 H 0.89 0.02 2 125 . 15 VAL CG1 C 21.0 0.2 1 126 . 15 VAL CG2 C 20.1 0.2 1 127 . 15 VAL C C 174.6 0.2 1 128 . 16 THR N N 116.8 0.2 1 129 . 16 THR H H 8.59 0.02 1 130 . 16 THR CA C 59.2 0.2 1 131 . 16 THR HA H 4.88 0.02 1 132 . 16 THR CB C 72.4 0.2 1 133 . 16 THR HB H 4.76 0.02 1 134 . 16 THR HG2 H 1.09 0.02 1 135 . 16 THR CG2 C 21.1 0.2 1 136 . 16 THR C C 175.2 0.2 1 137 . 17 ALA N N 123.4 0.2 1 138 . 17 ALA H H 9.15 0.02 1 139 . 17 ALA CA C 56.0 0.2 1 140 . 17 ALA HA H 3.86 0.02 1 141 . 17 ALA HB H 1.48 0.02 1 142 . 17 ALA CB C 17.9 0.2 1 143 . 17 ALA C C 172.4 0.2 1 144 . 18 GLU N N 117.0 0.2 1 145 . 18 GLU H H 8.09 0.02 1 146 . 18 GLU CA C 59.5 0.2 1 147 . 18 GLU HA H 4.05 0.02 1 148 . 18 GLU CB C 29.2 0.2 1 149 . 18 GLU HB2 H 1.97 0.02 2 150 . 18 GLU HB3 H 2.07 0.02 2 151 . 18 GLU CG C 35.8 0.2 1 152 . 18 GLU HG2 H 2.31 0.02 1 153 . 18 GLU HG3 H 2.31 0.02 1 154 . 18 GLU C C 178.4 0.2 1 155 . 19 THR N N 116.6 0.2 1 156 . 19 THR H H 7.84 0.02 1 157 . 19 THR CA C 66.0 0.2 1 158 . 19 THR HA H 4.12 0.02 1 159 . 19 THR CB C 68.1 0.2 1 160 . 19 THR HB H 4.52 0.02 1 161 . 19 THR HG2 H 1.42 0.02 1 162 . 19 THR CG2 C 21.9 0.2 1 163 . 19 THR C C 178.6 0.2 1 164 . 20 LEU N N 121.1 0.2 1 165 . 20 LEU H H 8.38 0.02 1 166 . 20 LEU CA C 57.8 0.2 1 167 . 20 LEU HA H 4.22 0.02 1 168 . 20 LEU CB C 40.9 0.2 1 169 . 20 LEU HB2 H 2.12 0.02 2 170 . 20 LEU HB3 H 1.45 0.02 2 171 . 20 LEU CG C 26.2 0.2 1 172 . 20 LEU HG H 2.06 0.02 1 173 . 20 LEU HD1 H 0.87 0.02 2 174 . 20 LEU HD2 H 0.93 0.02 2 175 . 20 LEU CD1 C 27.4 0.2 1 176 . 20 LEU CD2 C 23.6 0.2 1 177 . 20 LEU C C 179.2 0.2 1 178 . 21 ARG N N 122.8 0.2 1 179 . 21 ARG H H 8.92 0.02 1 180 . 21 ARG CA C 60.4 0.2 1 181 . 21 ARG HA H 3.93 0.02 1 182 . 21 ARG CB C 29.9 0.2 1 183 . 21 ARG HB2 H 1.94 0.02 1 184 . 21 ARG HB3 H 1.94 0.02 1 185 . 21 ARG CG C 28.6 0.2 1 186 . 21 ARG HG2 H 1.50 0.02 2 187 . 21 ARG HG3 H 1.82 0.02 2 188 . 21 ARG CD C 43.2 0.2 1 189 . 21 ARG HD2 H 3.16 0.02 2 190 . 21 ARG HD3 H 3.23 0.02 2 191 . 21 ARG NE N 117.9 0.2 1 192 . 21 ARG HE H 7.75 0.02 1 193 . 21 ARG C C 178.7 0.2 1 194 . 22 ASN N N 116.4 0.2 1 195 . 22 ASN H H 8.00 0.02 1 196 . 22 ASN CA C 55.6 0.2 1 197 . 22 ASN HA H 4.50 0.02 1 198 . 22 ASN CB C 38.1 0.2 1 199 . 22 ASN HB2 H 2.97 0.02 2 200 . 22 ASN HB3 H 2.88 0.02 2 201 . 22 ASN ND2 N 113.3 0.2 1 202 . 22 ASN HD21 H 7.66 0.02 2 203 . 22 ASN HD22 H 7.08 0.02 2 204 . 22 ASN C C 177.0 0.2 1 205 . 23 THR N N 116.3 0.2 1 206 . 23 THR H H 7.99 0.02 1 207 . 23 THR CA C 65.9 0.2 1 208 . 23 THR HA H 3.91 0.02 1 209 . 23 THR CB C 69.1 0.2 1 210 . 23 THR HB H 4.18 0.02 1 211 . 23 THR HG2 H 0.67 0.02 1 212 . 23 THR CG2 C 20.5 0.2 1 213 . 23 THR C C 175.0 0.2 1 214 . 24 PHE N N 115.8 0.2 1 215 . 24 PHE H H 8.53 0.02 1 216 . 24 PHE CA C 61.2 0.2 1 217 . 24 PHE HA H 4.30 0.02 1 218 . 24 PHE CB C 40.0 0.2 1 219 . 24 PHE HB2 H 3.02 0.02 2 220 . 24 PHE HB3 H 3.32 0.02 2 221 . 24 PHE HD1 H 7.55 0.02 1 222 . 24 PHE HD2 H 7.55 0.02 1 223 . 24 PHE HE1 H 7.34 0.02 1 224 . 24 PHE HE2 H 7.34 0.02 1 225 . 24 PHE CZ C 128.6 0.2 1 226 . 24 PHE HZ H 6.82 0.02 1 227 . 24 PHE C C 177.1 0.2 1 228 . 25 ALA N N 124.8 0.2 1 229 . 25 ALA H H 8.33 0.02 1 230 . 25 ALA CA C 56.8 0.2 1 231 . 25 ALA HA H 4.36 0.02 1 232 . 25 ALA HB H 1.62 0.02 1 233 . 25 ALA CB C 16.0 0.2 1 234 . 26 PRO CD C 50.7 0.2 1 235 . 26 PRO CA C 64.0 0.2 1 236 . 26 PRO HA H 4.63 0.02 1 237 . 26 PRO CB C 31.6 0.2 1 238 . 26 PRO HB2 H 1.87 0.02 2 239 . 26 PRO HB3 H 2.34 0.02 2 240 . 26 PRO CG C 27.3 0.2 1 241 . 26 PRO HG2 H 1.87 0.02 2 242 . 26 PRO HG3 H 1.99 0.02 2 243 . 26 PRO HD2 H 3.40 0.02 2 244 . 26 PRO HD3 H 3.67 0.02 2 245 . 26 PRO C C 176.6 0.2 1 246 . 27 LEU N N 119.0 0.2 1 247 . 27 LEU H H 7.53 0.02 1 248 . 27 LEU CA C 53.8 0.2 1 249 . 27 LEU HA H 4.62 0.02 1 250 . 27 LEU CB C 40.8 0.2 1 251 . 27 LEU HB2 H 2.19 0.02 2 252 . 27 LEU HB3 H 1.19 0.02 2 253 . 27 LEU CG C 25.7 0.2 1 254 . 27 LEU HG H 1.85 0.02 1 255 . 27 LEU HD1 H 0.68 0.02 2 256 . 27 LEU HD2 H 0.82 0.02 2 257 . 27 LEU CD1 C 26.5 0.2 1 258 . 27 LEU CD2 C 21.6 0.2 1 259 . 27 LEU C C 175.8 0.2 1 260 . 28 THR N N 113.4 0.2 1 261 . 28 THR H H 8.32 0.02 1 262 . 28 THR CA C 62.6 0.2 1 263 . 28 THR HA H 4.46 0.02 1 264 . 28 THR CB C 69.5 0.2 1 265 . 28 THR HB H 4.33 0.02 1 266 . 28 THR HG2 H 1.29 0.02 1 267 . 28 THR CG2 C 21.7 0.2 1 268 . 28 THR C C 175.6 0.2 1 269 . 29 GLN N N 122.0 0.2 1 270 . 29 GLN H H 8.64 0.02 1 271 . 29 GLN CA C 54.6 0.2 1 272 . 29 GLN HA H 4.73 0.02 1 273 . 29 GLN CB C 29.4 0.2 1 274 . 29 GLN HB2 H 2.24 0.02 2 275 . 29 GLN HB3 H 2.42 0.02 2 276 . 29 GLN CG C 33.7 0.2 1 277 . 29 GLN HG2 H 2.63 0.02 2 278 . 29 GLN HG3 H 2.55 0.02 2 279 . 29 GLN NE2 N 113.2 0.2 1 280 . 29 GLN HE21 H 7.72 0.02 2 281 . 29 GLN HE22 H 6.98 0.02 2 282 . 29 GLN C C 177.5 0.2 1 283 . 30 TRP N N 127.8 0.2 1 284 . 30 TRP H H 9.54 0.02 1 285 . 30 TRP CA C 60.3 0.2 1 286 . 30 TRP HA H 4.49 0.02 1 287 . 30 TRP CB C 29.1 0.2 1 288 . 30 TRP HB2 H 3.53 0.02 2 289 . 30 TRP HB3 H 3.19 0.02 2 290 . 30 TRP CD1 C 126.9 0.2 1 291 . 30 TRP CE3 C 120.0 0.2 1 292 . 30 TRP NE1 N 128.6 0.2 1 293 . 30 TRP HD1 H 7.21 0.02 1 294 . 30 TRP HE3 H 7.15 0.02 1 295 . 30 TRP CZ3 C 122.3 0.2 1 296 . 30 TRP CZ2 C 113.7 0.2 1 297 . 30 TRP HE1 H 9.93 0.02 1 298 . 30 TRP HZ3 H 7.60 0.02 1 299 . 30 TRP CH2 C 123.3 0.2 1 300 . 30 TRP HZ2 H 7.38 0.02 1 301 . 30 TRP HH2 H 7.06 0.02 1 302 . 30 TRP C C 177.0 0.2 1 303 . 31 GLU N N 116.9 0.2 1 304 . 31 GLU H H 9.51 0.02 1 305 . 31 GLU CA C 60.1 0.2 1 306 . 31 GLU HA H 3.82 0.02 1 307 . 31 GLU CB C 28.7 0.2 1 308 . 31 GLU HB2 H 2.05 0.02 2 309 . 31 GLU HB3 H 1.98 0.02 2 310 . 31 GLU CG C 36.3 0.2 1 311 . 31 GLU HG2 H 2.31 0.02 2 312 . 31 GLU HG3 H 2.42 0.02 2 313 . 31 GLU C C 178.7 0.2 1 314 . 32 ASP N N 117.0 0.2 1 315 . 32 ASP H H 7.00 0.02 1 316 . 32 ASP CA C 56.9 0.2 1 317 . 32 ASP HA H 4.59 0.02 1 318 . 32 ASP CB C 41.5 0.2 1 319 . 32 ASP HB2 H 2.81 0.02 2 320 . 32 ASP HB3 H 2.85 0.02 2 321 . 32 ASP C C 178.5 0.2 1 322 . 33 LYS N N 122.1 0.2 1 323 . 33 LYS H H 7.69 0.02 1 324 . 33 LYS CA C 60.6 0.2 1 325 . 33 LYS HA H 3.87 0.02 1 326 . 33 LYS CB C 33.0 0.2 1 327 . 33 LYS HB2 H 1.92 0.02 2 328 . 33 LYS HB3 H 1.59 0.02 2 329 . 33 LYS CG C 27.4 0.2 1 330 . 33 LYS HG2 H 1.49 0.02 2 331 . 33 LYS HG3 H 1.69 0.02 2 332 . 33 LYS CD C 30.2 0.2 1 333 . 33 LYS HD2 H 1.68 0.02 1 334 . 33 LYS HD3 H 1.68 0.02 1 335 . 33 LYS CE C 42.5 0.2 1 336 . 33 LYS HE2 H 2.93 0.02 2 337 . 33 LYS HE3 H 3.07 0.02 2 338 . 33 LYS C C 177.7 0.2 1 339 . 34 TYR N N 120.2 0.2 1 340 . 34 TYR H H 8.75 0.02 1 341 . 34 TYR CA C 61.2 0.2 1 342 . 34 TYR HA H 3.70 0.02 1 343 . 34 TYR CB C 37.3 0.2 1 344 . 34 TYR HB2 H 2.09 0.02 2 345 . 34 TYR HB3 H 2.72 0.02 2 346 . 34 TYR HD1 H 7.04 0.02 1 347 . 34 TYR HD2 H 7.04 0.02 1 348 . 34 TYR HE1 H 6.86 0.02 1 349 . 34 TYR HE2 H 6.86 0.02 1 350 . 34 TYR C C 177.0 0.2 1 351 . 35 ARG N N 118.0 0.2 1 352 . 35 ARG H H 7.63 0.02 1 353 . 35 ARG CA C 59.6 0.2 1 354 . 35 ARG HA H 3.88 0.02 1 355 . 35 ARG CB C 29.9 0.2 1 356 . 35 ARG HB2 H 1.95 0.02 2 357 . 35 ARG HB3 H 2.05 0.02 2 358 . 35 ARG CG C 28.1 0.2 1 359 . 35 ARG HG2 H 1.62 0.02 2 360 . 35 ARG HG3 H 1.90 0.02 2 361 . 35 ARG CD C 43.2 0.2 1 362 . 35 ARG HD2 H 3.29 0.02 1 363 . 35 ARG HD3 H 3.29 0.02 1 364 . 35 ARG NE N 115.7 0.2 1 365 . 35 ARG HE H 8.01 0.02 1 366 . 35 ARG C C 179.2 0.2 1 367 . 36 GLN N N 118.2 0.2 1 368 . 36 GLN H H 7.72 0.02 1 369 . 36 GLN CA C 57.3 0.2 1 370 . 36 GLN HA H 4.02 0.02 1 371 . 36 GLN CB C 27.5 0.2 1 372 . 36 GLN HB2 H 1.78 0.02 2 373 . 36 GLN HB3 H 1.84 0.02 2 374 . 36 GLN CG C 33.3 0.2 1 375 . 36 GLN HG2 H 1.76 0.02 1 376 . 36 GLN HG3 H 1.76 0.02 1 377 . 36 GLN NE2 N 113.2 0.2 1 378 . 36 GLN HE21 H 7.09 0.02 2 379 . 36 GLN HE22 H 6.87 0.02 2 380 . 36 GLN C C 178.4 0.2 1 381 . 37 LEU N N 123.1 0.2 1 382 . 37 LEU H H 8.54 0.02 1 383 . 37 LEU CA C 58.3 0.2 1 384 . 37 LEU HA H 4.14 0.02 1 385 . 37 LEU CB C 42.5 0.2 1 386 . 37 LEU HB2 H 2.06 0.02 2 387 . 37 LEU HB3 H 1.60 0.02 2 388 . 37 LEU CG C 26.8 0.2 1 389 . 37 LEU HG H 1.79 0.02 1 390 . 37 LEU HD1 H 0.89 0.02 2 391 . 37 LEU HD2 H 0.83 0.02 2 392 . 37 LEU CD1 C 25.1 0.2 1 393 . 37 LEU CD2 C 24.1 0.2 1 394 . 37 LEU C C 178.6 0.2 1 395 . 38 ILE N N 119.4 0.2 1 396 . 38 ILE H H 7.92 0.02 1 397 . 38 ILE CA C 64.6 0.2 1 398 . 38 ILE HA H 3.50 0.02 1 399 . 38 ILE CB C 36.7 0.2 1 400 . 38 ILE HB H 2.01 0.02 1 401 . 38 ILE HG2 H 0.86 0.02 1 402 . 38 ILE CG2 C 17.1 0.2 1 403 . 38 ILE CG1 C 28.9 0.2 1 404 . 38 ILE HG12 H 0.77 0.02 2 405 . 38 ILE HG13 H 1.50 0.02 2 406 . 38 ILE HD1 H 0.62 0.02 1 407 . 38 ILE CD1 C 11.9 0.2 1 408 . 38 ILE C C 179.7 0.2 1 409 . 39 MET N N 119.5 0.2 1 410 . 39 MET H H 7.88 0.02 1 411 . 39 MET CA C 58.5 0.2 1 412 . 39 MET HA H 4.13 0.02 1 413 . 39 MET CB C 31.8 0.2 1 414 . 39 MET HB2 H 2.15 0.02 2 415 . 39 MET HB3 H 2.66 0.02 2 416 . 39 MET CG C 31.9 0.2 1 417 . 39 MET HG2 H 2.17 0.02 2 418 . 39 MET HG3 H 2.71 0.02 2 419 . 39 MET C C 179.5 0.2 1 420 . 40 LEU N N 123.0 0.2 1 421 . 40 LEU H H 8.49 0.02 1 422 . 40 LEU CA C 57.8 0.2 1 423 . 40 LEU HA H 4.27 0.02 1 424 . 40 LEU CB C 42.4 0.2 1 425 . 40 LEU HB2 H 1.89 0.02 2 426 . 40 LEU HB3 H 1.80 0.02 2 427 . 40 LEU CG C 26.5 0.2 1 428 . 40 LEU HG H 1.75 0.02 1 429 . 40 LEU HD1 H 0.93 0.02 2 430 . 40 LEU HD2 H 1.07 0.02 2 431 . 40 LEU CD1 C 26.1 0.2 1 432 . 40 LEU CD2 C 24.8 0.2 1 433 . 40 LEU C C 179.3 0.2 1 434 . 41 GLY N N 104.1 0.2 1 435 . 41 GLY H H 8.07 0.02 1 436 . 41 GLY CA C 46.3 0.2 1 437 . 41 GLY HA2 H 3.95 0.02 2 438 . 41 GLY HA3 H 3.65 0.02 2 439 . 41 GLY C C 175.5 0.2 1 440 . 42 LYS N N 118.7 0.2 1 441 . 42 LYS H H 7.54 0.02 1 442 . 42 LYS CA C 58.4 0.2 1 443 . 42 LYS HA H 4.27 0.02 1 444 . 42 LYS CB C 32.2 0.2 1 445 . 42 LYS HB2 H 2.03 0.02 1 446 . 42 LYS HB3 H 2.03 0.02 1 447 . 42 LYS CG C 25.5 0.2 1 448 . 42 LYS HG2 H 1.57 0.02 2 449 . 42 LYS HG3 H 1.81 0.02 2 450 . 42 LYS CD C 29.3 0.2 1 451 . 42 LYS HD2 H 1.77 0.02 1 452 . 42 LYS HD3 H 1.77 0.02 1 453 . 42 LYS CE C 41.9 0.2 1 454 . 42 LYS HE2 H 3.01 0.02 1 455 . 42 LYS HE3 H 3.01 0.02 1 456 . 42 LYS C C 178.0 0.2 1 457 . 43 GLN N N 115.7 0.2 1 458 . 43 GLN H H 7.88 0.02 1 459 . 43 GLN CA C 56.1 0.2 1 460 . 43 GLN HA H 4.28 0.02 1 461 . 43 GLN CB C 29.6 0.2 1 462 . 43 GLN HB2 H 2.38 0.02 2 463 . 43 GLN HB3 H 2.48 0.02 2 464 . 43 GLN CG C 35.0 0.2 1 465 . 43 GLN HG2 H 2.42 0.02 2 466 . 43 GLN HG3 H 2.55 0.02 2 467 . 43 GLN NE2 N 110.2 0.2 1 468 . 43 GLN HE21 H 7.32 0.02 2 469 . 43 GLN HE22 H 6.64 0.02 2 470 . 43 GLN C C 175.4 0.2 1 471 . 44 LEU N N 123.8 0.2 1 472 . 44 LEU H H 7.79 0.02 1 473 . 44 LEU CA C 52.6 0.2 1 474 . 44 LEU HA H 5.00 0.02 1 475 . 44 LEU CB C 42.7 0.2 1 476 . 44 LEU HB2 H 1.49 0.02 2 477 . 44 LEU HB3 H 2.54 0.02 2 478 . 44 LEU CG C 26.6 0.2 1 479 . 44 LEU HG H 1.98 0.02 1 480 . 44 LEU HD1 H 1.13 0.02 2 481 . 44 LEU HD2 H 1.07 0.02 2 482 . 44 LEU CD1 C 25.3 0.2 1 483 . 44 LEU CD2 C 26.7 0.2 1 484 . 45 PRO CD C 51.1 0.2 1 485 . 45 PRO CA C 62.7 0.2 1 486 . 45 PRO HA H 4.61 0.02 1 487 . 45 PRO CB C 32.3 0.2 1 488 . 45 PRO HB2 H 2.03 0.02 2 489 . 45 PRO HB3 H 2.49 0.02 2 490 . 45 PRO CG C 27.4 0.2 1 491 . 45 PRO HG2 H 2.13 0.02 2 492 . 45 PRO HG3 H 2.37 0.02 2 493 . 45 PRO HD2 H 3.95 0.02 2 494 . 45 PRO HD3 H 4.61 0.02 2 495 . 45 PRO C C 175.8 0.2 1 496 . 46 ALA N N 125.1 0.2 1 497 . 46 ALA H H 8.55 0.02 1 498 . 46 ALA CA C 51.8 0.2 1 499 . 46 ALA HA H 4.38 0.02 1 500 . 46 ALA HB H 1.34 0.02 1 501 . 46 ALA CB C 18.3 0.2 1 502 . 46 ALA C C 178.0 0.2 1 503 . 47 LEU N N 127.2 0.2 1 504 . 47 LEU H H 8.62 0.02 1 505 . 47 LEU CA C 51.9 0.2 1 506 . 47 LEU HA H 4.57 0.02 1 507 . 47 LEU CB C 43.8 0.2 1 508 . 47 LEU HB2 H 1.48 0.02 2 509 . 47 LEU HB3 H 1.51 0.02 2 510 . 47 LEU CG C 25.9 0.2 1 511 . 47 LEU HG H 1.64 0.02 1 512 . 47 LEU HD1 H 0.84 0.02 2 513 . 47 LEU HD2 H 0.69 0.02 2 514 . 47 LEU CD1 C 25.4 0.2 1 515 . 47 LEU CD2 C 24.9 0.2 1 516 . 48 PRO CD C 50.9 0.2 1 517 . 48 PRO CA C 62.2 0.2 1 518 . 48 PRO HA H 4.48 0.02 1 519 . 48 PRO CB C 32.6 0.2 1 520 . 48 PRO HB2 H 1.89 0.02 2 521 . 48 PRO HB3 H 2.45 0.02 2 522 . 48 PRO CG C 27.4 0.2 1 523 . 48 PRO HG2 H 1.81 0.02 2 524 . 48 PRO HG3 H 2.01 0.02 2 525 . 48 PRO HD2 H 3.34 0.02 2 526 . 48 PRO HD3 H 4.07 0.02 2 527 . 48 PRO C C 177.3 0.2 1 528 . 49 ASP N N 125.1 0.2 1 529 . 49 ASP H H 9.04 0.02 1 530 . 49 ASP CA C 58.0 0.2 1 531 . 49 ASP HA H 4.03 0.02 1 532 . 49 ASP CB C 39.8 0.2 1 533 . 49 ASP HB2 H 2.55 0.02 2 534 . 49 ASP HB3 H 2.59 0.02 2 535 . 49 ASP C C 178.4 0.2 1 536 . 50 GLU N N 118.6 0.2 1 537 . 50 GLU H H 9.61 0.02 1 538 . 50 GLU CA C 59.4 0.2 1 539 . 50 GLU HA H 4.06 0.02 1 540 . 50 GLU CB C 28.5 0.2 1 541 . 50 GLU HB2 H 1.92 0.02 2 542 . 50 GLU HB3 H 1.95 0.02 2 543 . 50 GLU CG C 36.0 0.2 1 544 . 50 GLU HG2 H 2.26 0.02 1 545 . 50 GLU HG3 H 2.26 0.02 1 546 . 50 GLU C C 178.0 0.2 1 547 . 51 LEU N N 118.3 0.2 1 548 . 51 LEU H H 7.04 0.02 1 549 . 51 LEU CA C 55.8 0.2 1 550 . 51 LEU HA H 4.25 0.02 1 551 . 51 LEU CB C 41.7 0.2 1 552 . 51 LEU HB2 H 1.39 0.02 2 553 . 51 LEU HB3 H 1.16 0.02 2 554 . 51 LEU CG C 27.4 0.2 1 555 . 51 LEU HG H 1.29 0.02 1 556 . 51 LEU HD1 H 0.34 0.02 2 557 . 51 LEU HD2 H 0.43 0.02 2 558 . 51 LEU CD1 C 22.6 0.2 1 559 . 51 LEU CD2 C 24.7 0.2 1 560 . 51 LEU C C 179.2 0.2 1 561 . 52 LYS N N 122.3 0.2 1 562 . 52 LYS H H 7.95 0.02 1 563 . 52 LYS CA C 60.5 0.2 1 564 . 52 LYS HA H 3.44 0.02 1 565 . 52 LYS CB C 31.9 0.2 1 566 . 52 LYS HB2 H 1.45 0.02 2 567 . 52 LYS HB3 H 1.28 0.02 2 568 . 52 LYS CG C 25.9 0.2 1 569 . 52 LYS HG2 H 0.15 0.02 2 570 . 52 LYS HG3 H 0.60 0.02 2 571 . 52 LYS CD C 29.2 0.2 1 572 . 52 LYS HD2 H 0.52 0.02 2 573 . 52 LYS HD3 H 0.90 0.02 2 574 . 52 LYS CE C 41.0 0.2 1 575 . 52 LYS HE2 H 1.26 0.02 2 576 . 52 LYS HE3 H 2.02 0.02 2 577 . 52 LYS C C 178.2 0.2 1 578 . 53 ALA N N 116.8 0.2 1 579 . 53 ALA H H 7.47 0.02 1 580 . 53 ALA CA C 53.6 0.2 1 581 . 53 ALA HA H 4.26 0.02 1 582 . 53 ALA HB H 1.47 0.02 1 583 . 53 ALA CB C 18.2 0.2 1 584 . 53 ALA C C 178.3 0.2 1 585 . 54 GLN N N 115.2 0.2 1 586 . 54 GLN H H 7.31 0.02 1 587 . 54 GLN CA C 55.2 0.2 1 588 . 54 GLN HA H 4.50 0.02 1 589 . 54 GLN CB C 29.6 0.2 1 590 . 54 GLN HB2 H 2.13 0.02 2 591 . 54 GLN HB3 H 2.55 0.02 2 592 . 54 GLN CG C 33.9 0.2 1 593 . 54 GLN HG2 H 2.44 0.02 2 594 . 54 GLN HG3 H 2.53 0.02 2 595 . 54 GLN NE2 N 111.7 0.2 1 596 . 54 GLN HE21 H 7.31 0.02 2 597 . 54 GLN HE22 H 6.80 0.02 2 598 . 54 GLN C C 175.0 0.2 1 599 . 55 ALA N N 123.8 0.2 1 600 . 55 ALA H H 7.66 0.02 1 601 . 55 ALA CA C 50.3 0.2 1 602 . 55 ALA HA H 4.48 0.02 1 603 . 55 ALA HB H 1.49 0.02 1 604 . 55 ALA CB C 20.6 0.2 1 605 . 55 ALA C C 174.9 0.2 1 606 . 56 LYS N N 120.3 0.2 1 607 . 56 LYS H H 8.16 0.02 1 608 . 56 LYS CA C 54.7 0.2 1 609 . 56 LYS HA H 4.66 0.02 1 610 . 56 LYS CB C 34.6 0.2 1 611 . 56 LYS HB2 H 1.92 0.02 2 612 . 56 LYS HB3 H 1.95 0.02 2 613 . 56 LYS CG C 24.8 0.2 1 614 . 56 LYS HG2 H 1.61 0.02 2 615 . 56 LYS HG3 H 1.55 0.02 2 616 . 56 LYS CD C 28.9 0.2 1 617 . 56 LYS HD2 H 1.79 0.02 1 618 . 56 LYS HD3 H 1.79 0.02 1 619 . 56 LYS CE C 42.2 0.2 1 620 . 56 LYS HE2 H 3.12 0.02 1 621 . 56 LYS HE3 H 3.12 0.02 1 622 . 56 LYS C C 175.9 0.2 1 623 . 57 GLU N N 124.6 0.2 1 624 . 57 GLU H H 8.69 0.02 1 625 . 57 GLU CA C 55.8 0.2 1 626 . 57 GLU HA H 4.62 0.02 1 627 . 57 GLU CB C 29.3 0.2 1 628 . 57 GLU HB2 H 1.79 0.02 1 629 . 57 GLU HB3 H 1.79 0.02 1 630 . 57 GLU CG C 36.4 0.2 1 631 . 57 GLU HG2 H 1.61 0.02 2 632 . 57 GLU HG3 H 1.81 0.02 2 633 . 57 GLU C C 176.5 0.2 1 634 . 58 ILE N N 128.3 0.2 1 635 . 58 ILE H H 8.43 0.02 1 636 . 58 ILE CA C 58.3 0.2 1 637 . 58 ILE HA H 4.20 0.02 1 638 . 58 ILE CB C 36.8 0.2 1 639 . 58 ILE HB H 1.78 0.02 1 640 . 58 ILE HG2 H 0.80 0.02 1 641 . 58 ILE CG2 C 17.3 0.2 1 642 . 58 ILE CG1 C 27.0 0.2 1 643 . 58 ILE HG12 H 1.15 0.02 2 644 . 58 ILE HG13 H 1.51 0.02 2 645 . 58 ILE HD1 H 0.71 0.02 1 646 . 58 ILE CD1 C 10.5 0.2 1 647 . 58 ILE C C 175.5 0.2 1 648 . 59 ALA N N 132.8 0.2 1 649 . 59 ALA H H 8.64 0.02 1 650 . 59 ALA CA C 51.7 0.2 1 651 . 59 ALA HA H 4.45 0.02 1 652 . 59 ALA HB H 1.40 0.02 1 653 . 59 ALA CB C 19.8 0.2 1 654 . 59 ALA C C 177.5 0.2 1 655 . 60 GLY N N 106.1 0.2 1 656 . 60 GLY H H 8.46 0.02 1 657 . 60 GLY CA C 45.1 0.2 1 658 . 60 GLY HA2 H 4.20 0.02 2 659 . 60 GLY HA3 H 3.65 0.02 2 660 . 60 GLY C C 175.1 0.2 1 661 . 61 CYS N N 117.4 0.2 1 662 . 61 CYS H H 8.35 0.02 1 663 . 61 CYS CA C 57.9 0.2 1 664 . 61 CYS HA H 4.71 0.02 1 665 . 61 CYS CB C 28.9 0.2 1 666 . 61 CYS HB2 H 3.10 0.02 2 667 . 61 CYS HB3 H 2.98 0.02 2 668 . 61 CYS C C 174.9 0.2 1 669 . 62 GLU N N 121.1 0.2 1 670 . 62 GLU H H 9.03 0.02 1 671 . 62 GLU CA C 58.2 0.2 1 672 . 62 GLU HA H 4.04 0.02 1 673 . 62 GLU CB C 29.5 0.2 1 674 . 62 GLU HB2 H 2.17 0.02 2 675 . 62 GLU HB3 H 2.01 0.02 2 676 . 62 GLU CG C 35.7 0.2 1 677 . 62 GLU HG2 H 2.13 0.02 2 678 . 62 GLU HG3 H 2.27 0.02 2 679 . 62 GLU C C 174.8 0.2 1 680 . 63 ASN N N 114.7 0.2 1 681 . 63 ASN H H 7.38 0.02 1 682 . 63 ASN CA C 52.0 0.2 1 683 . 63 ASN HA H 4.86 0.02 1 684 . 63 ASN CB C 44.0 0.2 1 685 . 63 ASN HB2 H 2.11 0.02 2 686 . 63 ASN HB3 H 2.82 0.02 2 687 . 63 ASN ND2 N 111.7 0.2 1 688 . 63 ASN HD21 H 7.81 0.02 2 689 . 63 ASN HD22 H 7.02 0.02 2 690 . 63 ASN C C 173.5 0.2 1 691 . 64 ARG N N 120.4 0.2 1 692 . 64 ARG H H 8.80 0.02 1 693 . 64 ARG CA C 57.4 0.2 1 694 . 64 ARG HA H 4.19 0.02 1 695 . 64 ARG CB C 31.2 0.2 1 696 . 64 ARG HB2 H 0.92 0.02 2 697 . 64 ARG HB3 H 1.31 0.02 2 698 . 64 ARG CG C 26.8 0.2 1 699 . 64 ARG HG2 H 1.19 0.02 2 700 . 64 ARG HG3 H 1.66 0.02 2 701 . 64 ARG CD C 43.9 0.2 1 702 . 64 ARG HD2 H 3.14 0.02 1 703 . 64 ARG HD3 H 3.14 0.02 1 704 . 64 ARG NE N 117.9 0.2 1 705 . 64 ARG HE H 7.47 0.02 1 706 . 64 ARG C C 176.2 0.2 1 707 . 65 VAL N N 124.7 0.2 1 708 . 65 VAL H H 7.87 0.02 1 709 . 65 VAL CA C 60.8 0.2 1 710 . 65 VAL HA H 4.65 0.02 1 711 . 65 VAL CB C 35.8 0.2 1 712 . 65 VAL HB H 1.87 0.02 1 713 . 65 VAL HG1 H 0.94 0.02 2 714 . 65 VAL HG2 H 1.03 0.02 2 715 . 65 VAL CG1 C 21.4 0.2 1 716 . 65 VAL CG2 C 22.6 0.2 1 717 . 65 VAL C C 172.3 0.2 1 718 . 66 TRP N N 126.8 0.2 1 719 . 66 TRP H H 8.95 0.02 1 720 . 66 TRP CA C 57.7 0.2 1 721 . 66 TRP HA H 5.43 0.02 1 722 . 66 TRP CB C 32.7 0.2 1 723 . 66 TRP HB2 H 2.85 0.02 1 724 . 66 TRP HB3 H 2.85 0.02 1 725 . 66 TRP CD1 C 126.4 0.2 1 726 . 66 TRP CE3 C 120.6 0.2 1 727 . 66 TRP NE1 N 130.9 0.2 1 728 . 66 TRP HD1 H 7.11 0.02 1 729 . 66 TRP HE3 H 7.38 0.02 1 730 . 66 TRP CZ3 C 120.5 0.2 1 731 . 66 TRP CZ2 C 114.4 0.2 1 732 . 66 TRP HE1 H 10.38 0.02 1 733 . 66 TRP HZ3 H 6.77 0.02 1 734 . 66 TRP CH2 C 123.7 0.2 1 735 . 66 TRP HZ2 H 7.35 0.02 1 736 . 66 TRP HH2 H 7.08 0.02 1 737 . 66 TRP C C 174.6 0.2 1 738 . 67 LEU N N 121.7 0.2 1 739 . 67 LEU H H 9.01 0.02 1 740 . 67 LEU CA C 54.4 0.2 1 741 . 67 LEU HA H 5.33 0.02 1 742 . 67 LEU CB C 47.0 0.2 1 743 . 67 LEU HB2 H 1.32 0.02 2 744 . 67 LEU HB3 H 1.76 0.02 2 745 . 67 LEU CG C 27.3 0.2 1 746 . 67 LEU HG H 1.70 0.02 1 747 . 67 LEU HD1 H 0.93 0.02 2 748 . 67 LEU HD2 H 0.85 0.02 2 749 . 67 LEU CD1 C 23.8 0.2 1 750 . 67 LEU CD2 C 25.6 0.2 1 751 . 67 LEU C C 175.6 0.2 1 752 . 68 GLY N N 118.1 0.2 1 753 . 68 GLY H H 9.22 0.02 1 754 . 68 GLY CA C 43.3 0.2 1 755 . 68 GLY HA2 H 4.63 0.02 2 756 . 68 GLY HA3 H 2.94 0.02 2 757 . 68 GLY C C 169.4 0.2 1 758 . 69 TYR N N 113.5 0.2 1 759 . 69 TYR H H 7.69 0.02 1 760 . 69 TYR CA C 56.0 0.2 1 761 . 69 TYR HA H 5.63 0.02 1 762 . 69 TYR CB C 41.4 0.2 1 763 . 69 TYR HB2 H 2.12 0.02 2 764 . 69 TYR HB3 H 2.51 0.02 2 765 . 69 TYR HD1 H 6.58 0.02 1 766 . 69 TYR HD2 H 6.58 0.02 1 767 . 69 TYR HE1 H 6.67 0.02 1 768 . 69 TYR HE2 H 6.67 0.02 1 769 . 69 TYR C C 174.3 0.2 1 770 . 70 THR N N 112.9 0.2 1 771 . 70 THR H H 9.42 0.02 1 772 . 70 THR CA C 60.3 0.2 1 773 . 70 THR HA H 4.50 0.02 1 774 . 70 THR CB C 71.7 0.2 1 775 . 70 THR HB H 4.32 0.02 1 776 . 70 THR HG2 H 1.29 0.02 1 777 . 70 THR CG2 C 22.2 0.2 1 778 . 70 THR C C 172.6 0.2 1 779 . 71 VAL N N 121.8 0.2 1 780 . 71 VAL H H 8.62 0.02 1 781 . 71 VAL CA C 61.2 0.2 1 782 . 71 VAL HA H 4.70 0.02 1 783 . 71 VAL CB C 33.9 0.2 1 784 . 71 VAL HB H 2.00 0.02 1 785 . 71 VAL HG1 H 1.03 0.02 2 786 . 71 VAL HG2 H 1.08 0.02 2 787 . 71 VAL CG1 C 20.4 0.2 1 788 . 71 VAL CG2 C 22.1 0.2 1 789 . 71 VAL C C 175.2 0.2 1 790 . 72 ALA N N 131.3 0.2 1 791 . 72 ALA H H 8.63 0.02 1 792 . 72 ALA CA C 51.3 0.2 1 793 . 72 ALA HA H 4.66 0.02 1 794 . 72 ALA HB H 1.71 0.02 1 795 . 72 ALA CB C 20.2 0.2 1 796 . 72 ALA C C 178.9 0.2 1 797 . 73 GLU N N 122.1 0.2 1 798 . 73 GLU H H 9.08 0.02 1 799 . 73 GLU CA C 59.2 0.2 1 800 . 73 GLU HA H 4.10 0.02 1 801 . 73 GLU CB C 28.9 0.2 1 802 . 73 GLU HB2 H 2.11 0.02 1 803 . 73 GLU HB3 H 2.11 0.02 1 804 . 73 GLU CG C 36.3 0.2 1 805 . 73 GLU HG2 H 2.41 0.02 1 806 . 73 GLU HG3 H 2.41 0.02 1 807 . 73 GLU C C 176.9 0.2 1 808 . 74 ASN N N 114.1 0.2 1 809 . 74 ASN H H 7.86 0.02 1 810 . 74 ASN CA C 52.4 0.2 1 811 . 74 ASN HA H 4.64 0.02 1 812 . 74 ASN CB C 37.2 0.2 1 813 . 74 ASN HB2 H 2.91 0.02 2 814 . 74 ASN HB3 H 3.29 0.02 2 815 . 74 ASN ND2 N 109.9 0.2 1 816 . 74 ASN HD21 H 7.59 0.02 2 817 . 74 ASN HD22 H 6.71 0.02 2 818 . 74 ASN C C 176.1 0.2 1 819 . 75 GLY N N 107.5 0.2 1 820 . 75 GLY H H 8.22 0.02 1 821 . 75 GLY CA C 44.9 0.2 1 822 . 75 GLY HA2 H 3.50 0.02 2 823 . 75 GLY HA3 H 4.29 0.02 2 824 . 75 GLY C C 173.9 0.2 1 825 . 76 LYS N N 119.9 0.2 1 826 . 76 LYS H H 7.57 0.02 1 827 . 76 LYS CA C 58.0 0.2 1 828 . 76 LYS HA H 3.63 0.02 1 829 . 76 LYS CB C 32.8 0.2 1 830 . 76 LYS HB2 H 1.83 0.02 2 831 . 76 LYS HB3 H 1.37 0.02 2 832 . 76 LYS CG C 25.9 0.2 1 833 . 76 LYS HG2 H 1.25 0.02 2 834 . 76 LYS HG3 H 1.33 0.02 2 835 . 76 LYS CD C 29.0 0.2 1 836 . 76 LYS HD2 H 1.76 0.02 1 837 . 76 LYS HD3 H 1.76 0.02 1 838 . 76 LYS CE C 42.0 0.2 1 839 . 76 LYS HE2 H 3.06 0.02 1 840 . 76 LYS HE3 H 3.06 0.02 1 841 . 76 LYS C C 175.8 0.2 1 842 . 77 MET N N 123.9 0.2 1 843 . 77 MET H H 8.61 0.02 1 844 . 77 MET CA C 56.5 0.2 1 845 . 77 MET HA H 4.73 0.02 1 846 . 77 MET CB C 34.1 0.2 1 847 . 77 MET HB2 H 2.30 0.02 2 848 . 77 MET HB3 H 1.51 0.02 2 849 . 77 MET CG C 33.6 0.2 1 850 . 77 MET HG2 H 2.29 0.02 2 851 . 77 MET HG3 H 2.92 0.02 2 852 . 77 MET HE H 1.30 0.02 1 853 . 77 MET CE C 17.2 0.2 1 854 . 77 MET C C 174.2 0.2 1 855 . 78 HIS N N 122.2 0.2 1 856 . 78 HIS H H 8.78 0.02 1 857 . 78 HIS CA C 53.6 0.2 1 858 . 78 HIS HA H 5.44 0.02 1 859 . 78 HIS CB C 30.0 0.2 1 860 . 78 HIS HB2 H 3.04 0.02 2 861 . 78 HIS HB3 H 3.47 0.02 2 862 . 78 HIS CD2 C 119.5 0.2 1 863 . 78 HIS HD2 H 7.05 0.02 1 864 . 78 HIS C C 173.3 0.2 1 865 . 79 PHE N N 124.9 0.2 1 866 . 79 PHE H H 10.29 0.02 1 867 . 79 PHE CA C 56.7 0.2 1 868 . 79 PHE HA H 5.36 0.02 1 869 . 79 PHE CB C 43.7 0.2 1 870 . 79 PHE HB2 H 2.91 0.02 2 871 . 79 PHE HB3 H 2.84 0.02 2 872 . 79 PHE HD1 H 7.18 0.02 1 873 . 79 PHE HD2 H 7.18 0.02 1 874 . 79 PHE HE1 H 7.08 0.02 1 875 . 79 PHE HE2 H 7.08 0.02 1 876 . 79 PHE HZ H 6.92 0.02 1 877 . 79 PHE C C 174.4 0.2 1 878 . 80 PHE N N 114.9 0.2 1 879 . 80 PHE H H 8.24 0.02 1 880 . 80 PHE CA C 54.8 0.2 1 881 . 80 PHE HA H 5.17 0.02 1 882 . 80 PHE CB C 40.9 0.2 1 883 . 80 PHE HB2 H 3.10 0.02 2 884 . 80 PHE HB3 H 3.20 0.02 2 885 . 80 PHE HD1 H 6.77 0.02 1 886 . 80 PHE HD2 H 6.77 0.02 1 887 . 80 PHE HE1 H 7.12 0.02 1 888 . 80 PHE HE2 H 7.12 0.02 1 889 . 80 PHE CZ C 129.5 0.2 1 890 . 80 PHE HZ H 7.22 0.02 1 891 . 80 PHE C C 173.4 0.2 1 892 . 81 GLY N N 104.9 0.2 1 893 . 81 GLY H H 8.51 0.02 1 894 . 81 GLY CA C 46.9 0.2 1 895 . 81 GLY HA2 H 4.34 0.02 2 896 . 81 GLY HA3 H 4.47 0.02 2 897 . 81 GLY C C 170.0 0.2 1 898 . 82 ASP N N 115.0 0.2 1 899 . 82 ASP H H 8.94 0.02 1 900 . 82 ASP CA C 52.9 0.2 1 901 . 82 ASP HA H 5.00 0.02 1 902 . 82 ASP CB C 44.5 0.2 1 903 . 82 ASP HB2 H 2.52 0.02 2 904 . 82 ASP HB3 H 2.98 0.02 2 905 . 82 ASP C C 174.7 0.2 1 906 . 83 SER N N 113.3 0.2 1 907 . 83 SER H H 9.99 0.02 1 908 . 83 SER CA C 56.9 0.2 1 909 . 83 SER HA H 5.35 0.02 1 910 . 83 SER CB C 65.6 0.2 1 911 . 83 SER HB2 H 4.08 0.02 2 912 . 83 SER HB3 H 3.35 0.02 2 913 . 83 SER HG H 4.46 0.02 1 914 . 83 SER C C 173.5 0.2 1 915 . 84 GLU N N 123.4 0.2 1 916 . 84 GLU H H 7.92 0.02 1 917 . 84 GLU CA C 56.8 0.2 1 918 . 84 GLU HA H 4.57 0.02 1 919 . 84 GLU CB C 30.8 0.2 1 920 . 84 GLU HB2 H 2.38 0.02 2 921 . 84 GLU HB3 H 2.02 0.02 2 922 . 84 GLU CG C 37.3 0.2 1 923 . 84 GLU HG2 H 2.59 0.02 1 924 . 84 GLU HG3 H 2.59 0.02 1 925 . 84 GLU C C 176.5 0.2 1 926 . 85 GLY N N 106.8 0.2 1 927 . 85 GLY H H 8.38 0.02 1 928 . 85 GLY CA C 45.1 0.2 1 929 . 85 GLY HA2 H 4.39 0.02 2 930 . 85 GLY HA3 H 3.70 0.02 2 931 . 86 ARG CA C 59.9 0.2 1 932 . 86 ARG HA H 4.03 0.02 1 933 . 86 ARG CB C 30.2 0.2 1 934 . 86 ARG HB2 H 2.00 0.02 1 935 . 86 ARG HB3 H 2.00 0.02 1 936 . 86 ARG CG C 27.6 0.2 1 937 . 86 ARG HG2 H 1.82 0.02 1 938 . 86 ARG HG3 H 1.82 0.02 1 939 . 86 ARG CD C 43.5 0.2 1 940 . 86 ARG HD2 H 3.29 0.02 1 941 . 86 ARG HD3 H 3.29 0.02 1 942 . 86 ARG NE N 118.7 0.2 1 943 . 86 ARG HE H 7.50 0.02 1 944 . 86 ARG C C 179.0 0.2 1 945 . 87 ILE N N 120.9 0.2 1 946 . 87 ILE H H 8.68 0.02 1 947 . 87 ILE CA C 62.8 0.2 1 948 . 87 ILE HA H 3.93 0.02 1 949 . 87 ILE CB C 36.4 0.2 1 950 . 87 ILE HB H 2.07 0.02 1 951 . 87 ILE HG2 H 0.95 0.02 1 952 . 87 ILE CG2 C 17.4 0.2 1 953 . 87 ILE CG1 C 29.2 0.2 1 954 . 87 ILE HG12 H 1.37 0.02 2 955 . 87 ILE HG13 H 1.46 0.02 2 956 . 87 ILE HD1 H 0.71 0.02 1 957 . 87 ILE CD1 C 12.8 0.2 1 958 . 87 ILE C C 177.6 0.2 1 959 . 88 VAL N N 122.0 0.2 1 960 . 88 VAL H H 7.59 0.02 1 961 . 88 VAL CA C 66.3 0.2 1 962 . 88 VAL HA H 3.53 0.02 1 963 . 88 VAL CB C 30.4 0.2 1 964 . 88 VAL HB H 2.16 0.02 1 965 . 88 VAL HG1 H 0.96 0.02 2 966 . 88 VAL HG2 H 1.11 0.02 2 967 . 88 VAL CG1 C 22.4 0.2 1 968 . 88 VAL CG2 C 24.0 0.2 1 969 . 88 VAL C C 177.3 0.2 1 970 . 89 ARG N N 119.1 0.2 1 971 . 89 ARG H H 7.93 0.02 1 972 . 89 ARG CA C 60.9 0.2 1 973 . 89 ARG HA H 3.86 0.02 1 974 . 89 ARG CB C 30.3 0.2 1 975 . 89 ARG HB2 H 1.94 0.02 2 976 . 89 ARG HB3 H 2.05 0.02 2 977 . 89 ARG CG C 31.2 0.2 1 978 . 89 ARG HG2 H 1.55 0.02 2 979 . 89 ARG HG3 H 2.04 0.02 2 980 . 89 ARG CD C 42.9 0.2 1 981 . 89 ARG HD2 H 3.34 0.02 2 982 . 89 ARG HD3 H 3.44 0.02 2 983 . 89 ARG NE N 118.7 0.2 1 984 . 89 ARG HE H 7.48 0.02 1 985 . 89 ARG C C 177.8 0.2 1 986 . 90 GLY N N 105.1 0.2 1 987 . 90 GLY H H 7.29 0.02 1 988 . 90 GLY CA C 47.7 0.2 1 989 . 90 GLY HA2 H 3.62 0.02 2 990 . 90 GLY HA3 H 3.88 0.02 2 991 . 90 GLY C C 174.8 0.2 1 992 . 91 LEU N N 120.8 0.2 1 993 . 91 LEU H H 8.15 0.02 1 994 . 91 LEU CA C 58.3 0.2 1 995 . 91 LEU HA H 4.09 0.02 1 996 . 91 LEU CB C 40.7 0.2 1 997 . 91 LEU HB2 H 2.14 0.02 2 998 . 91 LEU HB3 H 1.35 0.02 2 999 . 91 LEU CG C 26.2 0.2 1 1000 . 91 LEU HG H 2.08 0.02 1 1001 . 91 LEU HD1 H 0.88 0.02 2 1002 . 91 LEU HD2 H 1.00 0.02 2 1003 . 91 LEU CD1 C 25.5 0.2 1 1004 . 91 LEU CD2 C 23.2 0.2 1 1005 . 91 LEU C C 179.2 0.2 1 1006 . 92 LEU N N 119.4 0.2 1 1007 . 92 LEU H H 8.90 0.02 1 1008 . 92 LEU CA C 57.5 0.2 1 1009 . 92 LEU HA H 3.86 0.02 1 1010 . 92 LEU CB C 42.0 0.2 1 1011 . 92 LEU HB2 H 1.49 0.02 2 1012 . 92 LEU HB3 H 1.77 0.02 2 1013 . 92 LEU CG C 26.8 0.2 1 1014 . 92 LEU HG H 1.58 0.02 1 1015 . 92 LEU HD1 H 0.80 0.02 2 1016 . 92 LEU HD2 H 0.77 0.02 2 1017 . 92 LEU CD1 C 24.7 0.2 1 1018 . 92 LEU CD2 C 24.6 0.2 1 1019 . 92 LEU C C 177.1 0.2 1 1020 . 93 ALA N N 121.8 0.2 1 1021 . 93 ALA H H 7.68 0.02 1 1022 . 93 ALA CA C 55.2 0.2 1 1023 . 93 ALA HA H 2.82 0.02 1 1024 . 93 ALA HB H 0.83 0.02 1 1025 . 93 ALA CB C 18.9 0.2 1 1026 . 93 ALA C C 179.4 0.2 1 1027 . 94 VAL N N 119.0 0.2 1 1028 . 94 VAL H H 7.35 0.02 1 1029 . 94 VAL CA C 66.6 0.2 1 1030 . 94 VAL HA H 2.98 0.02 1 1031 . 94 VAL CB C 30.5 0.2 1 1032 . 94 VAL HB H 1.82 0.02 1 1033 . 94 VAL HG1 H -0.39 0.02 2 1034 . 94 VAL HG2 H 0.54 0.02 2 1035 . 94 VAL CG1 C 20.3 0.2 1 1036 . 94 VAL CG2 C 21.5 0.2 1 1037 . 94 VAL C C 176.7 0.2 1 1038 . 95 LEU N N 120.7 0.2 1 1039 . 95 LEU H H 8.02 0.02 1 1040 . 95 LEU CA C 58.0 0.2 1 1041 . 95 LEU HA H 3.92 0.02 1 1042 . 95 LEU CB C 42.8 0.2 1 1043 . 95 LEU HB2 H 1.57 0.02 2 1044 . 95 LEU HB3 H 2.02 0.02 2 1045 . 95 LEU CG C 26.5 0.2 1 1046 . 95 LEU HG H 1.46 0.02 1 1047 . 95 LEU HD1 H 0.74 0.02 2 1048 . 95 LEU HD2 H 0.83 0.02 2 1049 . 95 LEU CD1 C 26.6 0.2 1 1050 . 95 LEU CD2 C 24.2 0.2 1 1051 . 95 LEU C C 178.4 0.2 1 1052 . 96 LEU N N 116.3 0.2 1 1053 . 96 LEU H H 9.04 0.02 1 1054 . 96 LEU CA C 57.5 0.2 1 1055 . 96 LEU HA H 3.92 0.02 1 1056 . 96 LEU CB C 41.3 0.2 1 1057 . 96 LEU HB2 H 1.63 0.02 2 1058 . 96 LEU HB3 H 1.14 0.02 2 1059 . 96 LEU CG C 26.4 0.2 1 1060 . 96 LEU HG H 1.71 0.02 1 1061 . 96 LEU HD1 H 0.30 0.02 2 1062 . 96 LEU HD2 H 0.54 0.02 2 1063 . 96 LEU CD1 C 25.3 0.2 1 1064 . 96 LEU CD2 C 22.5 0.2 1 1065 . 96 LEU C C 178.3 0.2 1 1066 . 97 THR N N 116.0 0.2 1 1067 . 97 THR H H 7.55 0.02 1 1068 . 97 THR CA C 67.5 0.2 1 1069 . 97 THR HA H 3.80 0.02 1 1070 . 97 THR CB C 67.3 0.2 1 1071 . 97 THR HB H 4.29 0.02 1 1072 . 97 THR HG2 H 1.09 0.02 1 1073 . 97 THR HG1 H 4.42 0.02 1 1074 . 97 THR CG2 C 21.1 0.2 1 1075 . 97 THR C C 175.8 0.2 1 1076 . 98 ALA N N 123.2 0.2 1 1077 . 98 ALA H H 7.65 0.02 1 1078 . 98 ALA CA C 54.5 0.2 1 1079 . 98 ALA HA H 4.19 0.02 1 1080 . 98 ALA HB H 1.64 0.02 1 1081 . 98 ALA CB C 19.5 0.2 1 1082 . 98 ALA C C 179.4 0.2 1 1083 . 99 VAL N N 107.5 0.2 1 1084 . 99 VAL H H 7.59 0.02 1 1085 . 99 VAL CA C 61.5 0.2 1 1086 . 99 VAL HA H 4.56 0.02 1 1087 . 99 VAL CB C 32.4 0.2 1 1088 . 99 VAL HB H 2.13 0.02 1 1089 . 99 VAL HG1 H 0.77 0.02 2 1090 . 99 VAL HG2 H 0.45 0.02 2 1091 . 99 VAL CG1 C 20.9 0.2 1 1092 . 99 VAL CG2 C 18.0 0.2 1 1093 . 99 VAL C C 175.3 0.2 1 1094 . 100 GLU N N 121.8 0.2 1 1095 . 100 GLU H H 8.28 0.02 1 1096 . 100 GLU CA C 58.3 0.2 1 1097 . 100 GLU HA H 4.72 0.02 1 1098 . 100 GLU CB C 29.9 0.2 1 1099 . 100 GLU HB2 H 2.01 0.02 2 1100 . 100 GLU HB3 H 2.83 0.02 2 1101 . 100 GLU CG C 36.3 0.2 1 1102 . 100 GLU HG2 H 2.39 0.02 1 1103 . 100 GLU HG3 H 2.39 0.02 1 1104 . 100 GLU C C 179.2 0.2 1 1105 . 101 GLY N N 115.4 0.2 1 1106 . 101 GLY H H 9.02 0.02 1 1107 . 101 GLY CA C 46.0 0.2 1 1108 . 101 GLY HA2 H 3.66 0.02 2 1109 . 101 GLY HA3 H 4.28 0.02 2 1110 . 101 GLY C C 173.6 0.2 1 1111 . 102 LYS N N 120.7 0.2 1 1112 . 102 LYS H H 7.66 0.02 1 1113 . 102 LYS CA C 55.3 0.2 1 1114 . 102 LYS HA H 4.73 0.02 1 1115 . 102 LYS CB C 34.2 0.2 1 1116 . 102 LYS HB2 H 2.06 0.02 2 1117 . 102 LYS HB3 H 1.99 0.02 2 1118 . 102 LYS CG C 26.3 0.2 1 1119 . 102 LYS HG2 H 1.40 0.02 2 1120 . 102 LYS HG3 H 1.53 0.02 2 1121 . 102 LYS CD C 28.9 0.2 1 1122 . 102 LYS HD2 H 1.63 0.02 2 1123 . 102 LYS HD3 H 1.70 0.02 2 1124 . 102 LYS CE C 42.9 0.2 1 1125 . 102 LYS HE2 H 3.12 0.02 1 1126 . 102 LYS HE3 H 3.12 0.02 1 1127 . 102 LYS C C 176.7 0.2 1 1128 . 103 THR N N 112.0 0.2 1 1129 . 103 THR H H 9.15 0.02 1 1130 . 103 THR CA C 60.2 0.2 1 1131 . 103 THR HA H 4.93 0.02 1 1132 . 103 THR CB C 70.8 0.2 1 1133 . 103 THR HB H 4.71 0.02 1 1134 . 103 THR HG2 H 1.24 0.02 1 1135 . 103 THR CG2 C 21.5 0.2 1 1136 . 103 THR C C 175.2 0.2 1 1137 . 104 ALA N N 123.1 0.2 1 1138 . 104 ALA H H 8.87 0.02 1 1139 . 104 ALA CA C 55.9 0.2 1 1140 . 104 ALA HA H 4.08 0.02 1 1141 . 104 ALA HB H 1.56 0.02 1 1142 . 104 ALA CB C 18.1 0.2 1 1143 . 104 ALA C C 179.3 0.2 1 1144 . 105 ALA N N 117.8 0.2 1 1145 . 105 ALA H H 8.43 0.02 1 1146 . 105 ALA CA C 54.8 0.2 1 1147 . 105 ALA HA H 4.06 0.02 1 1148 . 105 ALA HB H 1.42 0.02 1 1149 . 105 ALA CB C 18.0 0.2 1 1150 . 105 ALA C C 181.5 0.2 1 1151 . 106 GLU N N 120.0 0.2 1 1152 . 106 GLU H H 7.89 0.02 1 1153 . 106 GLU CA C 59.0 0.2 1 1154 . 106 GLU HA H 4.04 0.02 1 1155 . 106 GLU CB C 29.9 0.2 1 1156 . 106 GLU HB2 H 2.51 0.02 2 1157 . 106 GLU HB3 H 1.96 0.02 2 1158 . 106 GLU CG C 37.4 0.2 1 1159 . 106 GLU HG2 H 2.35 0.02 2 1160 . 106 GLU HG3 H 2.42 0.02 2 1161 . 106 GLU C C 180.0 0.2 1 1162 . 107 LEU N N 120.3 0.2 1 1163 . 107 LEU H H 8.21 0.02 1 1164 . 107 LEU CA C 56.8 0.2 1 1165 . 107 LEU HA H 4.19 0.02 1 1166 . 107 LEU CB C 42.4 0.2 1 1167 . 107 LEU HB2 H 2.11 0.02 2 1168 . 107 LEU HB3 H 1.28 0.02 2 1169 . 107 LEU CG C 26.8 0.2 1 1170 . 107 LEU HG H 1.89 0.02 1 1171 . 107 LEU HD1 H 1.03 0.02 2 1172 . 107 LEU HD2 H 0.97 0.02 2 1173 . 107 LEU CD1 C 26.3 0.2 1 1174 . 107 LEU CD2 C 23.8 0.2 1 1175 . 107 LEU C C 177.9 0.2 1 1176 . 108 GLN N N 115.3 0.2 1 1177 . 108 GLN H H 7.79 0.02 1 1178 . 108 GLN CA C 57.1 0.2 1 1179 . 108 GLN HA H 4.15 0.02 1 1180 . 108 GLN CB C 28.1 0.2 1 1181 . 108 GLN HB2 H 2.04 0.02 2 1182 . 108 GLN HB3 H 2.15 0.02 2 1183 . 108 GLN CG C 33.9 0.2 1 1184 . 108 GLN HG2 H 2.43 0.02 2 1185 . 108 GLN HG3 H 2.61 0.02 2 1186 . 108 GLN NE2 N 110.7 0.2 1 1187 . 108 GLN HE21 H 7.59 0.02 2 1188 . 108 GLN HE22 H 6.74 0.02 2 1189 . 108 GLN C C 176.7 0.2 1 1190 . 109 ALA N N 120.1 0.2 1 1191 . 109 ALA H H 7.33 0.02 1 1192 . 109 ALA CA C 52.8 0.2 1 1193 . 109 ALA HA H 4.34 0.02 1 1194 . 109 ALA HB H 1.52 0.02 1 1195 . 109 ALA CB C 19.4 0.2 1 1196 . 109 ALA C C 176.7 0.2 1 1197 . 110 GLN N N 116.5 0.2 1 1198 . 110 GLN H H 7.48 0.02 1 1199 . 110 GLN CA C 54.0 0.2 1 1200 . 110 GLN HA H 4.59 0.02 1 1201 . 110 GLN CB C 31.4 0.2 1 1202 . 110 GLN HB2 H 1.96 0.02 2 1203 . 110 GLN HB3 H 2.07 0.02 2 1204 . 110 GLN CG C 33.3 0.2 1 1205 . 110 GLN HG2 H 2.36 0.02 2 1206 . 110 GLN HG3 H 2.28 0.02 2 1207 . 110 GLN NE2 N 111.9 0.2 1 1208 . 110 GLN HE21 H 7.46 0.02 2 1209 . 110 GLN HE22 H 6.89 0.02 2 1210 . 110 GLN C C 173.9 0.2 1 1211 . 111 SER N N 117.1 0.2 1 1212 . 111 SER H H 8.62 0.02 1 1213 . 111 SER CA C 55.4 0.2 1 1214 . 111 SER HA H 4.80 0.02 1 1215 . 111 SER CB C 63.9 0.2 1 1216 . 111 SER HB2 H 3.79 0.02 2 1217 . 111 SER HB3 H 4.07 0.02 2 1218 . 112 PRO CD C 51.2 0.2 1 1219 . 112 PRO CA C 64.5 0.2 1 1220 . 112 PRO HA H 4.36 0.02 1 1221 . 112 PRO CB C 32.5 0.2 1 1222 . 112 PRO HB2 H 1.79 0.02 2 1223 . 112 PRO HB3 H 2.15 0.02 2 1224 . 112 PRO CG C 27.2 0.2 1 1225 . 112 PRO HG2 H 1.90 0.02 2 1226 . 112 PRO HG3 H 2.10 0.02 2 1227 . 112 PRO HD2 H 3.84 0.02 2 1228 . 112 PRO HD3 H 4.18 0.02 2 1229 . 112 PRO C C 175.9 0.2 1 1230 . 113 LEU N N 111.7 0.2 1 1231 . 113 LEU H H 7.78 0.02 1 1232 . 113 LEU CA C 54.5 0.2 1 1233 . 113 LEU HA H 4.49 0.02 1 1234 . 113 LEU CB C 41.0 0.2 1 1235 . 113 LEU HB2 H 1.71 0.02 2 1236 . 113 LEU HB3 H 1.44 0.02 2 1237 . 113 LEU CG C 26.3 0.2 1 1238 . 113 LEU HG H 1.57 0.02 1 1239 . 113 LEU HD1 H 0.76 0.02 2 1240 . 113 LEU HD2 H 0.51 0.02 2 1241 . 113 LEU CD1 C 25.1 0.2 1 1242 . 113 LEU CD2 C 22.6 0.2 1 1243 . 113 LEU C C 178.0 0.2 1 1244 . 114 ALA N N 124.3 0.2 1 1245 . 114 ALA H H 7.71 0.02 1 1246 . 114 ALA CA C 55.8 0.2 1 1247 . 114 ALA HA H 4.24 0.02 1 1248 . 114 ALA HB H 1.57 0.02 1 1249 . 114 ALA CB C 18.1 0.2 1 1250 . 114 ALA C C 180.6 0.2 1 1251 . 115 LEU N N 119.0 0.2 1 1252 . 115 LEU H H 8.65 0.02 1 1253 . 115 LEU CA C 57.3 0.2 1 1254 . 115 LEU HA H 4.20 0.02 1 1255 . 115 LEU CB C 41.2 0.2 1 1256 . 115 LEU HB2 H 1.31 0.02 2 1257 . 115 LEU HB3 H 1.58 0.02 2 1258 . 115 LEU CG C 26.7 0.2 1 1259 . 115 LEU HG H 1.28 0.02 1 1260 . 115 LEU HD1 H 0.75 0.02 2 1261 . 115 LEU HD2 H 0.89 0.02 2 1262 . 115 LEU CD1 C 25.6 0.2 1 1263 . 115 LEU CD2 C 22.7 0.2 1 1264 . 115 LEU C C 178.6 0.2 1 1265 . 116 PHE N N 114.3 0.2 1 1266 . 116 PHE H H 7.48 0.02 1 1267 . 116 PHE CA C 62.4 0.2 1 1268 . 116 PHE HA H 3.69 0.02 1 1269 . 116 PHE CB C 38.2 0.2 1 1270 . 116 PHE HB2 H 3.38 0.02 2 1271 . 116 PHE HB3 H 2.64 0.02 2 1272 . 116 PHE HD1 H 7.17 0.02 1 1273 . 116 PHE HD2 H 7.17 0.02 1 1274 . 116 PHE HE1 H 7.08 0.02 1 1275 . 116 PHE HE2 H 7.08 0.02 1 1276 . 116 PHE CZ C 128.9 0.2 1 1277 . 116 PHE HZ H 6.92 0.02 1 1278 . 116 PHE C C 178.2 0.2 1 1279 . 117 ASP N N 120.1 0.2 1 1280 . 117 ASP H H 7.70 0.02 1 1281 . 117 ASP CA C 57.3 0.2 1 1282 . 117 ASP HA H 4.75 0.02 1 1283 . 117 ASP CB C 40.2 0.2 1 1284 . 117 ASP HB2 H 2.79 0.02 2 1285 . 117 ASP HB3 H 2.88 0.02 2 1286 . 117 ASP C C 179.5 0.2 1 1287 . 118 GLU N N 123.0 0.2 1 1288 . 118 GLU H H 8.17 0.02 1 1289 . 118 GLU CA C 59.3 0.2 1 1290 . 118 GLU HA H 4.05 0.02 1 1291 . 118 GLU CB C 29.6 0.2 1 1292 . 118 GLU HB2 H 2.08 0.02 2 1293 . 118 GLU HB3 H 2.21 0.02 2 1294 . 118 GLU CG C 35.9 0.2 1 1295 . 118 GLU HG2 H 2.22 0.02 2 1296 . 118 GLU HG3 H 2.41 0.02 2 1297 . 118 GLU C C 178.3 0.2 1 1298 . 119 LEU N N 114.8 0.2 1 1299 . 119 LEU H H 7.65 0.02 1 1300 . 119 LEU CA C 54.3 0.2 1 1301 . 119 LEU HA H 4.24 0.02 1 1302 . 119 LEU CB C 41.6 0.2 1 1303 . 119 LEU HB2 H 1.33 0.02 2 1304 . 119 LEU HB3 H 1.15 0.02 2 1305 . 119 LEU CG C 25.7 0.2 1 1306 . 119 LEU HG H 1.91 0.02 1 1307 . 119 LEU HD1 H 0.36 0.02 2 1308 . 119 LEU HD2 H 0.71 0.02 2 1309 . 119 LEU CD1 C 26.2 0.2 1 1310 . 119 LEU CD2 C 21.5 0.2 1 1311 . 119 LEU C C 176.4 0.2 1 1312 . 120 GLY N N 108.0 0.2 1 1313 . 120 GLY H H 7.79 0.02 1 1314 . 120 GLY CA C 46.4 0.2 1 1315 . 120 GLY HA2 H 4.13 0.02 2 1316 . 120 GLY HA3 H 4.02 0.02 2 1317 . 120 GLY C C 176.1 0.2 1 1318 . 121 LEU N N 116.6 0.2 1 1319 . 121 LEU H H 8.12 0.02 1 1320 . 121 LEU CA C 54.8 0.2 1 1321 . 121 LEU HA H 4.64 0.02 1 1322 . 121 LEU CB C 44.8 0.2 1 1323 . 121 LEU HB2 H 1.74 0.02 2 1324 . 121 LEU HB3 H 1.80 0.02 2 1325 . 121 LEU CG C 26.0 0.2 1 1326 . 121 LEU HG H 1.36 0.02 1 1327 . 121 LEU HD1 H 0.36 0.02 2 1328 . 121 LEU HD2 H 0.70 0.02 2 1329 . 121 LEU CD1 C 26.1 0.2 1 1330 . 121 LEU CD2 C 22.8 0.2 1 1331 . 121 LEU C C 175.5 0.2 1 1332 . 122 ARG N N 116.0 0.2 1 1333 . 122 ARG H H 7.72 0.02 1 1334 . 122 ARG CA C 58.0 0.2 1 1335 . 122 ARG HA H 4.18 0.02 1 1336 . 122 ARG CB C 31.6 0.2 1 1337 . 122 ARG HB2 H 1.55 0.02 2 1338 . 122 ARG HB3 H 1.95 0.02 2 1339 . 122 ARG CG C 27.6 0.2 1 1340 . 122 ARG HG2 H 1.45 0.02 1 1341 . 122 ARG HG3 H 1.45 0.02 1 1342 . 122 ARG CD C 43.4 0.2 1 1343 . 122 ARG HD2 H 3.07 0.02 1 1344 . 122 ARG HD3 H 3.07 0.02 1 1345 . 122 ARG C C 178.0 0.2 1 1346 . 123 ALA N N 122.4 0.2 1 1347 . 123 ALA H H 8.60 0.02 1 1348 . 123 ALA CA C 54.8 0.2 1 1349 . 123 ALA HA H 4.04 0.02 1 1350 . 123 ALA HB H 1.42 0.02 1 1351 . 123 ALA CB C 18.4 0.2 1 1352 . 123 ALA C C 178.6 0.2 1 1353 . 124 GLN N N 113.7 0.2 1 1354 . 124 GLN H H 7.43 0.02 1 1355 . 124 GLN CA C 55.2 0.2 1 1356 . 124 GLN HA H 4.01 0.02 1 1357 . 124 GLN CB C 27.7 0.2 1 1358 . 124 GLN HB2 H 0.92 0.02 2 1359 . 124 GLN HB3 H 1.38 0.02 2 1360 . 124 GLN CG C 34.1 0.2 1 1361 . 124 GLN HG2 H 1.94 0.02 2 1362 . 124 GLN HG3 H 1.99 0.02 2 1363 . 124 GLN NE2 N 111.5 0.2 1 1364 . 124 GLN HE21 H 7.22 0.02 2 1365 . 124 GLN HE22 H 6.79 0.02 2 1366 . 124 GLN C C 175.7 0.2 1 1367 . 125 LEU N N 119.6 0.2 1 1368 . 125 LEU H H 7.01 0.02 1 1369 . 125 LEU CA C 54.7 0.2 1 1370 . 125 LEU HA H 4.10 0.02 1 1371 . 125 LEU CB C 42.7 0.2 1 1372 . 125 LEU HB2 H 1.39 0.02 2 1373 . 125 LEU HB3 H 1.75 0.02 2 1374 . 125 LEU CG C 26.2 0.2 1 1375 . 125 LEU HG H 2.00 0.02 1 1376 . 125 LEU HD1 H 0.94 0.02 2 1377 . 125 LEU HD2 H 0.85 0.02 2 1378 . 125 LEU CD1 C 22.8 0.2 1 1379 . 125 LEU CD2 C 26.2 0.2 1 1380 . 125 LEU C C 177.4 0.2 1 1381 . 126 SER N N 118.5 0.2 1 1382 . 126 SER H H 8.26 0.02 1 1383 . 126 SER CA C 57.7 0.2 1 1384 . 126 SER HA H 4.29 0.02 1 1385 . 126 SER CB C 64.1 0.2 1 1386 . 126 SER HB2 H 4.06 0.02 2 1387 . 126 SER HB3 H 4.25 0.02 2 1388 . 126 SER C C 174.5 0.2 1 1389 . 127 ALA N N 125.4 0.2 1 1390 . 127 ALA H H 8.74 0.02 1 1391 . 127 ALA CA C 55.4 0.2 1 1392 . 127 ALA HA H 4.14 0.02 1 1393 . 127 ALA HB H 1.47 0.02 1 1394 . 127 ALA CB C 17.7 0.2 1 1395 . 127 ALA C C 180.2 0.2 1 1396 . 128 SER N N 112.1 0.2 1 1397 . 128 SER H H 8.46 0.02 1 1398 . 128 SER CA C 60.6 0.2 1 1399 . 128 SER HA H 4.28 0.02 1 1400 . 128 SER CB C 62.5 0.2 1 1401 . 128 SER HB2 H 3.85 0.02 2 1402 . 128 SER HB3 H 3.90 0.02 2 1403 . 128 SER C C 177.4 0.2 1 1404 . 129 ARG N N 123.9 0.2 1 1405 . 129 ARG H H 7.82 0.02 1 1406 . 129 ARG CA C 58.6 0.2 1 1407 . 129 ARG HA H 4.27 0.02 1 1408 . 129 ARG CB C 30.0 0.2 1 1409 . 129 ARG HB2 H 1.95 0.02 1 1410 . 129 ARG HB3 H 1.95 0.02 1 1411 . 129 ARG CG C 29.5 0.2 1 1412 . 129 ARG HG2 H 1.77 0.02 1 1413 . 129 ARG HG3 H 1.77 0.02 1 1414 . 129 ARG CD C 42.0 0.2 1 1415 . 129 ARG HD2 H 3.01 0.02 1 1416 . 129 ARG HD3 H 3.01 0.02 1 1417 . 129 ARG C C 178.2 0.2 1 1418 . 130 SER N N 116.8 0.2 1 1419 . 130 SER H H 8.72 0.02 1 1420 . 130 SER CA C 61.5 0.2 1 1421 . 130 SER HA H 3.97 0.02 1 1422 . 130 SER CB C 62.4 0.2 1 1423 . 130 SER HB2 H 3.92 0.02 1 1424 . 130 SER HB3 H 3.92 0.02 1 1425 . 130 SER C C 176.7 0.2 1 1426 . 131 GLN N N 121.4 0.2 1 1427 . 131 GLN H H 8.27 0.02 1 1428 . 131 GLN CA C 58.6 0.2 1 1429 . 131 GLN HA H 4.14 0.02 1 1430 . 131 GLN CB C 27.9 0.2 1 1431 . 131 GLN HB2 H 2.20 0.02 1 1432 . 131 GLN HB3 H 2.20 0.02 1 1433 . 131 GLN CG C 33.7 0.2 1 1434 . 131 GLN HG2 H 2.48 0.02 1 1435 . 131 GLN HG3 H 2.48 0.02 1 1436 . 131 GLN NE2 N 112.2 0.2 1 1437 . 131 GLN HE21 H 7.48 0.02 2 1438 . 131 GLN HE22 H 6.87 0.02 2 1439 . 131 GLN C C 179.2 0.2 1 1440 . 132 GLY N N 109.2 0.2 1 1441 . 132 GLY H H 7.95 0.02 1 1442 . 132 GLY CA C 47.5 0.2 1 1443 . 132 GLY HA2 H 3.88 0.02 2 1444 . 132 GLY HA3 H 3.97 0.02 2 1445 . 132 GLY C C 175.0 0.2 1 1446 . 133 LEU N N 121.7 0.2 1 1447 . 133 LEU H H 7.93 0.02 1 1448 . 133 LEU CA C 57.6 0.2 1 1449 . 133 LEU HA H 3.86 0.02 1 1450 . 133 LEU CB C 40.8 0.2 1 1451 . 133 LEU HB2 H 1.45 0.02 2 1452 . 133 LEU HB3 H 1.55 0.02 2 1453 . 133 LEU CG C 26.0 0.2 1 1454 . 133 LEU HG H 1.34 0.02 1 1455 . 133 LEU HD1 H 0.20 0.02 2 1456 . 133 LEU HD2 H 0.22 0.02 2 1457 . 133 LEU CD1 C 23.7 0.2 1 1458 . 133 LEU CD2 C 23.6 0.2 1 1459 . 133 LEU C C 178.6 0.2 1 1460 . 134 ASN N N 118.3 0.2 1 1461 . 134 ASN H H 8.00 0.02 1 1462 . 134 ASN CA C 56.1 0.2 1 1463 . 134 ASN HA H 4.35 0.02 1 1464 . 134 ASN CB C 37.4 0.2 1 1465 . 134 ASN HB2 H 2.85 0.02 1 1466 . 134 ASN HB3 H 2.85 0.02 1 1467 . 134 ASN ND2 N 112.9 0.2 1 1468 . 134 ASN HD21 H 7.54 0.02 2 1469 . 134 ASN HD22 H 6.86 0.02 2 1470 . 134 ASN C C 177.1 0.2 1 1471 . 135 ALA N N 123.8 0.2 1 1472 . 135 ALA H H 7.92 0.02 1 1473 . 135 ALA CA C 55.0 0.2 1 1474 . 135 ALA HA H 4.12 0.02 1 1475 . 135 ALA HB H 1.54 0.02 1 1476 . 135 ALA CB C 17.9 0.2 1 1477 . 135 ALA C C 181.2 0.2 1 1478 . 136 LEU N N 119.7 0.2 1 1479 . 136 LEU H H 7.95 0.02 1 1480 . 136 LEU CA C 57.7 0.2 1 1481 . 136 LEU HA H 3.89 0.02 1 1482 . 136 LEU CB C 41.4 0.2 1 1483 . 136 LEU HB2 H 2.00 0.02 2 1484 . 136 LEU HB3 H 1.20 0.02 2 1485 . 136 LEU CG C 26.2 0.2 1 1486 . 136 LEU HG H 1.83 0.02 1 1487 . 136 LEU HD1 H 0.73 0.02 2 1488 . 136 LEU HD2 H 0.75 0.02 2 1489 . 136 LEU CD1 C 23.3 0.2 1 1490 . 136 LEU CD2 C 23.2 0.2 1 1491 . 136 LEU C C 178.0 0.2 1 1492 . 137 SER N N 113.3 0.2 1 1493 . 137 SER H H 8.07 0.02 1 1494 . 137 SER CA C 61.7 0.2 1 1495 . 137 SER HA H 3.82 0.02 1 1496 . 137 SER CB C 62.6 0.2 1 1497 . 137 SER HB2 H 3.66 0.02 2 1498 . 137 SER HB3 H 4.13 0.02 2 1499 . 137 SER HG H 5.30 0.02 1 1500 . 137 SER C C 177.4 0.2 1 1501 . 138 GLU N N 118.7 0.2 1 1502 . 138 GLU H H 8.53 0.02 1 1503 . 138 GLU CA C 58.9 0.2 1 1504 . 138 GLU HA H 3.98 0.02 1 1505 . 138 GLU CB C 28.9 0.2 1 1506 . 138 GLU HB2 H 2.10 0.02 1 1507 . 138 GLU HB3 H 2.10 0.02 1 1508 . 138 GLU CG C 36.4 0.2 1 1509 . 138 GLU HG2 H 2.33 0.02 2 1510 . 138 GLU HG3 H 2.44 0.02 2 1511 . 138 GLU C C 179.0 0.2 1 1512 . 139 ALA N N 123.3 0.2 1 1513 . 139 ALA H H 7.80 0.02 1 1514 . 139 ALA CA C 54.7 0.2 1 1515 . 139 ALA HA H 4.33 0.02 1 1516 . 139 ALA HB H 1.58 0.02 1 1517 . 139 ALA CB C 18.1 0.2 1 1518 . 139 ALA C C 180.7 0.2 1 1519 . 140 ILE N N 121.0 0.2 1 1520 . 140 ILE H H 7.78 0.02 1 1521 . 140 ILE CA C 62.6 0.2 1 1522 . 140 ILE HA H 3.71 0.02 1 1523 . 140 ILE CB C 35.6 0.2 1 1524 . 140 ILE HB H 2.37 0.02 1 1525 . 140 ILE HG2 H 0.75 0.02 1 1526 . 140 ILE CG2 C 17.2 0.2 1 1527 . 140 ILE CG1 C 27.4 0.2 1 1528 . 140 ILE HG12 H 1.25 0.02 2 1529 . 140 ILE HG13 H 1.57 0.02 2 1530 . 140 ILE HD1 H 0.30 0.02 1 1531 . 140 ILE CD1 C 10.8 0.2 1 1532 . 140 ILE C C 178.1 0.2 1 1533 . 141 ILE N N 121.9 0.2 1 1534 . 141 ILE H H 8.28 0.02 1 1535 . 141 ILE CA C 63.8 0.2 1 1536 . 141 ILE HA H 3.78 0.02 1 1537 . 141 ILE CB C 36.7 0.2 1 1538 . 141 ILE HB H 2.00 0.02 1 1539 . 141 ILE HG2 H 0.94 0.02 1 1540 . 141 ILE CG2 C 17.0 0.2 1 1541 . 141 ILE CG1 C 28.1 0.2 1 1542 . 141 ILE HG12 H 1.61 0.02 2 1543 . 141 ILE HG13 H 1.41 0.02 2 1544 . 141 ILE HD1 H 0.77 0.02 1 1545 . 141 ILE CD1 C 11.2 0.2 1 1546 . 141 ILE C C 179.6 0.2 1 1547 . 142 ALA N N 124.1 0.2 1 1548 . 142 ALA H H 8.76 0.02 1 1549 . 142 ALA CA C 55.1 0.2 1 1550 . 142 ALA HA H 4.10 0.02 1 1551 . 142 ALA HB H 1.55 0.02 1 1552 . 142 ALA CB C 17.8 0.2 1 1553 . 142 ALA C C 180.3 0.2 1 1554 . 143 ALA N N 122.4 0.2 1 1555 . 143 ALA H H 7.70 0.02 1 1556 . 143 ALA CA C 55.1 0.2 1 1557 . 143 ALA HA H 4.06 0.02 1 1558 . 143 ALA HB H 1.10 0.02 1 1559 . 143 ALA CB C 17.9 0.2 1 1560 . 143 ALA C C 178.9 0.2 1 1561 . 144 THR N N 109.2 0.2 1 1562 . 144 THR H H 8.11 0.02 1 1563 . 144 THR CA C 65.7 0.2 1 1564 . 144 THR HA H 3.77 0.02 1 1565 . 144 THR CB C 68.6 0.2 1 1566 . 144 THR HB H 4.22 0.02 1 1567 . 144 THR HG2 H 1.47 0.02 1 1568 . 144 THR HG1 H 5.72 0.02 1 1569 . 144 THR CG2 C 23.5 0.2 1 1570 . 144 THR C C 176.0 0.2 1 1571 . 145 LYS N N 121.6 0.2 1 1572 . 145 LYS H H 7.85 0.02 1 1573 . 145 LYS CA C 59.2 0.2 1 1574 . 145 LYS HA H 3.98 0.02 1 1575 . 145 LYS CB C 32.2 0.2 1 1576 . 145 LYS HB2 H 1.92 0.02 1 1577 . 145 LYS HB3 H 1.92 0.02 1 1578 . 145 LYS CG C 25.5 0.2 1 1579 . 145 LYS HG2 H 1.40 0.02 2 1580 . 145 LYS HG3 H 1.59 0.02 2 1581 . 145 LYS CD C 29.2 0.2 1 1582 . 145 LYS HD2 H 1.67 0.02 1 1583 . 145 LYS HD3 H 1.67 0.02 1 1584 . 145 LYS CE C 41.9 0.2 1 1585 . 145 LYS HE2 H 2.93 0.02 1 1586 . 145 LYS HE3 H 2.93 0.02 1 1587 . 145 LYS C C 178.7 0.2 1 1588 . 146 GLN N N 119.3 0.2 1 1589 . 146 GLN H H 7.76 0.02 1 1590 . 146 GLN CA C 58.6 0.2 1 1591 . 146 GLN HA H 4.13 0.02 1 1592 . 146 GLN CB C 28.1 0.2 1 1593 . 146 GLN HB2 H 2.35 0.02 2 1594 . 146 GLN HB3 H 2.40 0.02 2 1595 . 146 GLN CG C 33.9 0.2 1 1596 . 146 GLN HG2 H 2.52 0.02 2 1597 . 146 GLN HG3 H 2.61 0.02 2 1598 . 146 GLN NE2 N 113.4 0.2 1 1599 . 146 GLN HE21 H 7.65 0.02 2 1600 . 146 GLN HE22 H 7.03 0.02 2 1601 . 146 GLN C C 178.6 0.2 1 1602 . 147 VAL N N 119.7 0.2 1 1603 . 147 VAL H H 7.86 0.02 1 1604 . 147 VAL CA C 65.9 0.2 1 1605 . 147 VAL HA H 3.79 0.02 1 1606 . 147 VAL CB C 32.1 0.2 1 1607 . 147 VAL HB H 2.11 0.02 1 1608 . 147 VAL HG1 H 1.05 0.02 2 1609 . 147 VAL HG2 H 1.12 0.02 2 1610 . 147 VAL CG1 C 21.9 0.2 1 1611 . 147 VAL CG2 C 23.7 0.2 1 1612 . 147 VAL C C 178.7 0.2 1 1613 . 148 LEU N N 119.8 0.2 1 1614 . 148 LEU H H 8.11 0.02 1 1615 . 148 LEU CA C 57.0 0.2 1 1616 . 148 LEU HA H 4.16 0.02 1 1617 . 148 LEU CB C 41.7 0.2 1 1618 . 148 LEU HB2 H 1.84 0.02 2 1619 . 148 LEU HB3 H 1.55 0.02 2 1620 . 148 LEU CG C 26.6 0.2 1 1621 . 148 LEU HG H 1.76 0.02 1 1622 . 148 LEU HD1 H 0.77 0.02 2 1623 . 148 LEU HD2 H 0.85 0.02 2 1624 . 148 LEU CD1 C 24.8 0.2 1 1625 . 148 LEU CD2 C 22.6 0.2 1 1626 . 148 LEU C C 178.7 0.2 1 1627 . 149 GLU N N 118.5 0.2 1 1628 . 149 GLU H H 7.96 0.02 1 1629 . 149 GLU CA C 57.5 0.2 1 1630 . 149 GLU HA H 4.18 0.02 1 1631 . 149 GLU CB C 29.6 0.2 1 1632 . 149 GLU HB2 H 2.06 0.02 2 1633 . 149 GLU HB3 H 1.96 0.02 2 1634 . 149 GLU CG C 36.1 0.2 1 1635 . 149 GLU HG2 H 2.18 0.02 2 1636 . 149 GLU HG3 H 2.36 0.02 2 1637 . 149 GLU C C 177.0 0.2 1 stop_ save_