data_6365 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C 15N chemical shift assignment of B. cereus protein BC4709, Northeast Structural Genomics Target Protein BcR68 ; _BMRB_accession_number 6365 _BMRB_flat_file_name bmr6365.str _Entry_type original _Submission_date 2004-10-27 _Accession_date 2004-10-28 _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 Acton Thomas . . 3 Parish David . . 4 Ma Lichung . . 5 Xu Duanxiang . . 6 Xiao Rong . . 7 Montelione Gaetano T. . 8 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 866 "13C chemical shifts" 513 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-28 update BMRB 'update entry citation' 2005-10-31 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR data collection and analysis protocol for high-throughput protein structure determination' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16027363 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Shen Yang . . 3 Atreya Hanudatta S. . 4 Parish David . . 5 Shao Ying . . 6 Sukumaran Dinesh K. . 7 Xiao Rong . . 8 Yee Adelinda . . 9 Lemak Alexander . . 10 Bhattacharya Aneerban . . 11 Acton Thomas A. . 12 Arrowsmith Cheryl H. . 13 Montelione Gaetano T. . 14 Szyperski Thomas . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 102 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10487 _Page_last 10492 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_molecular_system_BC4709 _Saveframe_category molecular_system _Mol_system_name 'Protein BC4709' _Abbreviation_common 'Protein BC4709' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein BC4709' $Protein_BC4709 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_Protein_BC4709 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Protein BC4709' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; MEQQNTLNDIKQTIVFNASI QKVWSVVSTAEGIASWFMPN DFVLEVGHEFHVQSPFGPSP CKVLEIDEPNHLSFSWDTDG WVVSFDLKDLGDNKTEFTLI HGGWKHPDEILPKANAKSSI IRDRMSGGWVAIVNEKLKKV VEG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLN 4 GLN 5 ASN 6 THR 7 LEU 8 ASN 9 ASP 10 ILE 11 LYS 12 GLN 13 THR 14 ILE 15 VAL 16 PHE 17 ASN 18 ALA 19 SER 20 ILE 21 GLN 22 LYS 23 VAL 24 TRP 25 SER 26 VAL 27 VAL 28 SER 29 THR 30 ALA 31 GLU 32 GLY 33 ILE 34 ALA 35 SER 36 TRP 37 PHE 38 MET 39 PRO 40 ASN 41 ASP 42 PHE 43 VAL 44 LEU 45 GLU 46 VAL 47 GLY 48 HIS 49 GLU 50 PHE 51 HIS 52 VAL 53 GLN 54 SER 55 PRO 56 PHE 57 GLY 58 PRO 59 SER 60 PRO 61 CYS 62 LYS 63 VAL 64 LEU 65 GLU 66 ILE 67 ASP 68 GLU 69 PRO 70 ASN 71 HIS 72 LEU 73 SER 74 PHE 75 SER 76 TRP 77 ASP 78 THR 79 ASP 80 GLY 81 TRP 82 VAL 83 VAL 84 SER 85 PHE 86 ASP 87 LEU 88 LYS 89 ASP 90 LEU 91 GLY 92 ASP 93 ASN 94 LYS 95 THR 96 GLU 97 PHE 98 THR 99 LEU 100 ILE 101 HIS 102 GLY 103 GLY 104 TRP 105 LYS 106 HIS 107 PRO 108 ASP 109 GLU 110 ILE 111 LEU 112 PRO 113 LYS 114 ALA 115 ASN 116 ALA 117 LYS 118 SER 119 SER 120 ILE 121 ILE 122 ARG 123 ASP 124 ARG 125 MET 126 SER 127 GLY 128 GLY 129 TRP 130 VAL 131 ALA 132 ILE 133 VAL 134 ASN 135 GLU 136 LYS 137 LEU 138 LYS 139 LYS 140 VAL 141 VAL 142 GLU 143 GLY 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 1XN6 "Solution Structure Of Northeast Structural Genomics Target Protein Bcr68 Encoded In Gene Q816v6 Of B. Cereus" 100.00 143 100.00 100.00 1.10e-98 DBJ GAF00314 "hypothetical protein BAZ_4798 [Bacillus anthracis CZC5]" 100.00 143 97.20 98.60 1.63e-95 EMBL CCW07414 "hypothetical protein EBGED10_41440 [Bacillus sp. GeD10]" 100.00 143 100.00 100.00 1.10e-98 EMBL CDN38272 "unnamed protein product [Bacillus thuringiensis DB27]" 100.00 143 100.00 100.00 1.10e-98 GB AAP11614 "hypothetical protein BC_4709 [Bacillus cereus ATCC 14579]" 100.00 143 100.00 100.00 1.10e-98 GB AAP28644 "conserved hypothetical protein [Bacillus anthracis str. Ames]" 100.00 143 97.20 98.60 1.63e-95 GB AAS43754 "conserved hypothetical protein [Bacillus cereus ATCC 10987]" 100.00 145 97.90 98.60 2.61e-96 GB AAT34085 "conserved hypothetical protein [Bacillus anthracis str. 'Ames Ancestor']" 100.00 143 97.20 98.60 1.63e-95 GB AAT56903 "conserved hypothetical protein [Bacillus anthracis str. Sterne]" 100.00 143 97.20 98.60 1.63e-95 REF NP_834413 "hypothetical protein BC4709 [Bacillus cereus ATCC 14579]" 100.00 143 100.00 100.00 1.10e-98 REF NP_847158 "conserved hypothetical protein [Bacillus anthracis str. Ames]" 100.00 143 97.20 98.60 1.63e-95 REF NP_981146 "conserved hypothetical protein [Bacillus cereus ATCC 10987]" 100.00 145 97.90 98.60 2.61e-96 REF WP_000437627 "hypothetical protein [Bacillus cereus]" 100.00 143 99.30 100.00 5.38e-98 REF WP_000437669 "MULTISPECIES: hypothetical protein [Bacillus cereus group]" 100.00 143 97.20 98.60 1.63e-95 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $Protein_BC4709 'Bacillus cereus' 1396 Bacteria . Bacillus cereus BC4709 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 $Protein_BC4709 '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 $Protein_BC4709 1.5 mM '[U-13C; U-15N]' MES 20 mM . NaCl 100 mM . DTT 10 mM . CaCl2 5 mM . NaN3 0.02 % . H2O 95 % . D2O 5 % . 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_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 1 K pH 6.5 0.1 pH pressure 1 0.001 atm 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Protein BC4709' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 GLU CA C 56.5 0.5 1 2 . 2 GLU HA H 4.36 0.02 1 3 . 2 GLU CB C 30.3 0.5 1 4 . 2 GLU HB2 H 2.06 0.02 1 5 . 2 GLU HB3 H 2.06 0.02 1 6 . 2 GLU CG C 36.3 0.5 1 7 . 2 GLU HG2 H 2.28 0.02 1 8 . 2 GLU HG3 H 2.28 0.02 1 9 . 3 GLN N N 122.1 0.5 1 10 . 3 GLN H H 8.61 0.02 1 11 . 3 GLN CA C 55.9 0.5 1 12 . 3 GLN HA H 4.31 0.02 1 13 . 3 GLN CB C 29.6 0.5 1 14 . 3 GLN HB2 H 1.99 0.02 2 15 . 3 GLN HB3 H 2.08 0.02 2 16 . 3 GLN CG C 33.9 0.5 1 17 . 3 GLN HG2 H 2.36 0.02 1 18 . 3 GLN HG3 H 2.36 0.02 1 19 . 3 GLN NE2 N 112.5 0.5 1 20 . 3 GLN HE21 H 7.51 0.02 2 21 . 3 GLN HE22 H 6.87 0.02 2 22 . 4 GLN N N 121.8 0.5 1 23 . 4 GLN H H 8.56 0.02 1 24 . 4 GLN CA C 55.8 0.5 1 25 . 4 GLN HA H 4.38 0.02 1 26 . 4 GLN CB C 29.7 0.5 1 27 . 4 GLN HB2 H 1.97 0.02 2 28 . 4 GLN HB3 H 2.10 0.02 2 29 . 4 GLN CG C 33.7 0.5 1 30 . 4 GLN HG2 H 2.36 0.02 1 31 . 4 GLN HG3 H 2.36 0.02 1 32 . 4 GLN NE2 N 112.6 0.5 1 33 . 4 GLN HE21 H 7.55 0.02 2 34 . 4 GLN HE22 H 6.88 0.02 2 35 . 5 ASN N N 120.2 0.5 1 36 . 5 ASN H H 8.59 0.02 1 37 . 5 ASN CA C 53.3 0.5 1 38 . 5 ASN HA H 4.76 0.02 1 39 . 5 ASN CB C 39.0 0.5 1 40 . 5 ASN HB2 H 2.78 0.02 1 41 . 5 ASN HB3 H 2.87 0.02 1 42 . 5 ASN ND2 N 112.6 0.5 1 43 . 5 ASN HD21 H 7.59 0.02 2 44 . 5 ASN HD22 H 6.91 0.02 2 45 . 6 THR N N 111.4 0.5 1 46 . 6 THR H H 7.84 0.02 1 47 . 6 THR CA C 61.0 0.5 1 48 . 6 THR HA H 4.21 0.02 1 49 . 6 THR CB C 70.5 0.5 1 50 . 6 THR HB H 4.20 0.02 1 51 . 6 THR HG2 H 1.12 0.02 1 52 . 6 THR CG2 C 22.2 0.5 1 53 . 7 LEU N N 122.0 0.5 1 54 . 7 LEU H H 8.05 0.02 1 55 . 7 LEU CA C 54.7 0.5 1 56 . 7 LEU HA H 4.23 0.02 1 57 . 7 LEU CB C 42.9 0.5 1 58 . 7 LEU HB2 H 1.14 0.02 1 59 . 7 LEU HB3 H 1.83 0.02 1 60 . 7 LEU CG C 26.8 0.5 1 61 . 7 LEU HG H 1.56 0.02 1 62 . 7 LEU HD1 H 0.80 0.02 1 63 . 7 LEU HD2 H 0.77 0.02 1 64 . 7 LEU CD1 C 23.9 0.5 1 65 . 7 LEU CD2 C 26.3 0.5 1 66 . 8 ASN N N 119.0 0.5 1 67 . 8 ASN H H 8.43 0.02 1 68 . 8 ASN CA C 52.8 0.5 1 69 . 8 ASN HA H 4.66 0.02 1 70 . 8 ASN CB C 39.3 0.5 1 71 . 8 ASN HB2 H 2.57 0.02 1 72 . 8 ASN HB3 H 2.83 0.02 1 73 . 8 ASN ND2 N 112.5 0.5 1 74 . 8 ASN HD21 H 7.53 0.02 2 75 . 8 ASN HD22 H 6.94 0.02 2 76 . 9 ASP N N 120.9 0.5 1 77 . 9 ASP H H 8.57 0.02 1 78 . 9 ASP CA C 55.5 0.5 1 79 . 9 ASP HA H 4.70 0.02 1 80 . 9 ASP CB C 40.6 0.5 1 81 . 9 ASP HB2 H 2.37 0.02 1 82 . 9 ASP HB3 H 2.46 0.02 1 83 . 10 ILE N N 123.2 0.5 1 84 . 10 ILE H H 8.39 0.02 1 85 . 10 ILE CA C 61.6 0.5 1 86 . 10 ILE HA H 4.07 0.02 1 87 . 10 ILE CB C 39.8 0.5 1 88 . 10 ILE HB H 2.05 0.02 1 89 . 10 ILE HG2 H 1.00 0.02 1 90 . 10 ILE CG2 C 17.1 0.5 1 91 . 10 ILE CG1 C 27.5 0.5 1 92 . 10 ILE HG12 H 0.80 0.02 2 93 . 10 ILE HG13 H 1.61 0.02 2 94 . 10 ILE HD1 H 0.96 0.02 1 95 . 10 ILE CD1 C 15.9 0.5 1 96 . 11 LYS N N 128.2 0.5 1 97 . 11 LYS H H 8.38 0.02 1 98 . 11 LYS CA C 54.9 0.5 1 99 . 11 LYS HA H 5.49 0.02 1 100 . 11 LYS CB C 35.6 0.5 1 101 . 11 LYS HB2 H 1.49 0.02 2 102 . 11 LYS HB3 H 1.63 0.02 2 103 . 11 LYS CG C 25.0 0.5 1 104 . 11 LYS HG2 H 1.10 0.02 2 105 . 11 LYS HG3 H 1.19 0.02 2 106 . 11 LYS CD C 29.5 0.5 1 107 . 11 LYS HD2 H 1.56 0.02 1 108 . 11 LYS HD3 H 1.56 0.02 1 109 . 11 LYS CE C 42.0 0.5 1 110 . 11 LYS HE2 H 2.79 0.02 1 111 . 11 LYS HE3 H 2.79 0.02 1 112 . 12 GLN N N 125.6 0.5 1 113 . 12 GLN H H 9.06 0.02 1 114 . 12 GLN CA C 54.3 0.5 1 115 . 12 GLN HA H 4.74 0.02 1 116 . 12 GLN CB C 32.7 0.5 1 117 . 12 GLN HB2 H 1.83 0.02 1 118 . 12 GLN HB3 H 2.13 0.02 1 119 . 12 GLN CG C 33.3 0.5 1 120 . 12 GLN HG2 H 2.12 0.02 2 121 . 12 GLN HG3 H 2.22 0.02 2 122 . 12 GLN NE2 N 111.0 0.5 1 123 . 12 GLN HE21 H 7.19 0.02 1 124 . 12 GLN HE22 H 6.84 0.02 1 125 . 13 THR N N 120.2 0.5 1 126 . 13 THR H H 8.54 0.02 1 127 . 13 THR CA C 61.3 0.5 1 128 . 13 THR HA H 5.62 0.02 1 129 . 13 THR CB C 71.5 0.5 1 130 . 13 THR HB H 3.65 0.02 1 131 . 13 THR HG2 H 1.04 0.02 1 132 . 13 THR CG2 C 21.2 0.5 1 133 . 14 ILE N N 127.7 0.5 1 134 . 14 ILE H H 9.25 0.02 1 135 . 14 ILE CA C 59.8 0.5 1 136 . 14 ILE HA H 4.40 0.02 1 137 . 14 ILE CB C 42.0 0.5 1 138 . 14 ILE HB H 1.51 0.02 1 139 . 14 ILE HG2 H 0.20 0.02 1 140 . 14 ILE CG2 C 16.9 0.5 1 141 . 14 ILE CG1 C 28.8 0.5 1 142 . 14 ILE HG12 H 0.56 0.02 1 143 . 14 ILE HG13 H 1.43 0.02 1 144 . 14 ILE HD1 H 0.87 0.02 1 145 . 14 ILE CD1 C 15.2 0.5 1 146 . 15 VAL N N 124.7 0.5 1 147 . 15 VAL H H 7.86 0.02 1 148 . 15 VAL CA C 61.4 0.5 1 149 . 15 VAL HA H 4.57 0.02 1 150 . 15 VAL CB C 32.6 0.5 1 151 . 15 VAL HB H 1.82 0.02 1 152 . 15 VAL HG1 H 0.73 0.02 1 153 . 15 VAL HG2 H 0.84 0.02 1 154 . 15 VAL CG1 C 21.2 0.5 1 155 . 15 VAL CG2 C 22.0 0.5 1 156 . 16 PHE N N 125.5 0.5 1 157 . 16 PHE H H 9.33 0.02 1 158 . 16 PHE CA C 54.3 0.5 1 159 . 16 PHE HA H 5.16 0.02 1 160 . 16 PHE CB C 42.2 0.5 1 161 . 16 PHE HB2 H 2.68 0.02 1 162 . 16 PHE HB3 H 2.92 0.02 1 163 . 16 PHE HD1 H 6.98 0.02 1 164 . 16 PHE HD2 H 6.98 0.02 1 165 . 16 PHE HE1 H 6.52 0.02 1 166 . 16 PHE HE2 H 6.52 0.02 1 167 . 16 PHE CD1 C 129.9 0.5 1 168 . 16 PHE CE1 C 129.8 0.5 1 169 . 16 PHE CZ C 128.6 0.5 1 170 . 16 PHE HZ H 6.59 0.02 1 171 . 16 PHE CE2 C 129.8 0.5 1 172 . 16 PHE CD2 C 129.9 0.5 1 173 . 17 ASN N N 125.6 0.5 1 174 . 17 ASN H H 10.03 0.02 1 175 . 17 ASN CA C 52.0 0.5 1 176 . 17 ASN HA H 5.10 0.02 1 177 . 17 ASN CB C 36.8 0.5 1 178 . 17 ASN HB2 H 2.60 0.02 1 179 . 17 ASN HB3 H 2.84 0.02 1 180 . 17 ASN ND2 N 113.4 0.5 1 181 . 17 ASN HD21 H 7.67 0.02 1 182 . 17 ASN HD22 H 6.87 0.02 1 183 . 18 ALA N N 122.5 0.5 1 184 . 18 ALA H H 7.80 0.02 1 185 . 18 ALA CA C 51.4 0.5 1 186 . 18 ALA HA H 4.40 0.02 1 187 . 18 ALA HB H 1.02 0.02 1 188 . 18 ALA CB C 22.9 0.5 1 189 . 19 SER N N 117.1 0.5 1 190 . 19 SER H H 8.57 0.02 1 191 . 19 SER CA C 57.5 0.5 1 192 . 19 SER HA H 4.23 0.02 1 193 . 19 SER CB C 65.0 0.5 1 194 . 19 SER HB2 H 4.00 0.02 1 195 . 19 SER HB3 H 4.27 0.02 1 196 . 20 ILE N N 124.4 0.5 1 197 . 20 ILE H H 8.62 0.02 1 198 . 20 ILE CA C 65.7 0.5 1 199 . 20 ILE HA H 4.05 0.02 1 200 . 20 ILE CB C 37.9 0.5 1 201 . 20 ILE HB H 1.77 0.02 1 202 . 20 ILE HG2 H 0.97 0.02 1 203 . 20 ILE CG2 C 15.9 0.5 1 204 . 20 ILE CG1 C 30.3 0.5 1 205 . 20 ILE HG12 H 1.10 0.02 1 206 . 20 ILE HG13 H 1.64 0.02 1 207 . 20 ILE HD1 H 0.77 0.02 1 208 . 20 ILE CD1 C 14.9 0.5 1 209 . 21 GLN N N 120.0 0.5 1 210 . 21 GLN H H 8.02 0.02 1 211 . 21 GLN CA C 59.6 0.5 1 212 . 21 GLN HA H 3.98 0.02 1 213 . 21 GLN CB C 27.5 0.5 1 214 . 21 GLN HB2 H 2.04 0.02 1 215 . 21 GLN HB3 H 2.04 0.02 1 216 . 21 GLN CG C 34.4 0.5 1 217 . 21 GLN HG2 H 2.40 0.02 2 218 . 21 GLN HG3 H 2.50 0.02 2 219 . 21 GLN NE2 N 112.0 0.5 1 220 . 21 GLN HE21 H 7.58 0.02 2 221 . 21 GLN HE22 H 6.92 0.02 2 222 . 22 LYS N N 121.3 0.5 1 223 . 22 LYS H H 7.59 0.02 1 224 . 22 LYS CA C 58.7 0.5 1 225 . 22 LYS HA H 4.07 0.02 1 226 . 22 LYS CB C 31.7 0.5 1 227 . 22 LYS HB2 H 1.88 0.02 2 228 . 22 LYS HB3 H 1.93 0.02 2 229 . 22 LYS CG C 25.4 0.5 1 230 . 22 LYS HG2 H 1.27 0.02 2 231 . 22 LYS HG3 H 1.41 0.02 2 232 . 22 LYS CD C 28.7 0.5 1 233 . 22 LYS HD2 H 1.62 0.02 2 234 . 22 LYS HD3 H 1.70 0.02 2 235 . 22 LYS CE C 42.4 0.5 1 236 . 22 LYS HE2 H 2.89 0.02 1 237 . 22 LYS HE3 H 2.89 0.02 1 238 . 23 VAL N N 119.2 0.5 1 239 . 23 VAL H H 8.20 0.02 1 240 . 23 VAL CA C 66.6 0.5 1 241 . 23 VAL HA H 3.16 0.02 1 242 . 23 VAL CB C 31.2 0.5 1 243 . 23 VAL HB H 2.15 0.02 1 244 . 23 VAL HG1 H 0.77 0.02 1 245 . 23 VAL HG2 H 0.82 0.02 1 246 . 23 VAL CG1 C 22.5 0.5 1 247 . 23 VAL CG2 C 23.2 0.5 1 248 . 24 TRP N N 118.7 0.5 1 249 . 24 TRP H H 9.14 0.02 1 250 . 24 TRP CA C 59.7 0.5 1 251 . 24 TRP HA H 4.41 0.02 1 252 . 24 TRP CB C 29.8 0.5 1 253 . 24 TRP HB2 H 3.23 0.02 1 254 . 24 TRP HB3 H 3.48 0.02 1 255 . 24 TRP CD1 C 127.0 0.5 1 256 . 24 TRP CE3 C 122.2 0.5 1 257 . 24 TRP NE1 N 129.7 0.5 1 258 . 24 TRP HD1 H 7.17 0.02 1 259 . 24 TRP HE3 H 7.44 0.02 1 260 . 24 TRP CZ3 C 119.9 0.5 1 261 . 24 TRP CZ2 C 112.6 0.5 1 262 . 24 TRP HE1 H 10.08 0.02 1 263 . 24 TRP HZ3 H 6.64 0.02 1 264 . 24 TRP CH2 C 123.4 0.5 1 265 . 24 TRP HZ2 H 7.37 0.02 1 266 . 24 TRP HH2 H 7.19 0.02 1 267 . 25 SER N N 115.4 0.5 1 268 . 25 SER H H 7.92 0.02 1 269 . 25 SER CA C 62.2 0.5 1 270 . 25 SER HA H 3.96 0.02 1 271 . 25 SER CB C 63.1 0.5 1 272 . 25 SER HB2 H 4.00 0.02 2 273 . 25 SER HB3 H 4.07 0.02 2 274 . 25 SER HG H 3.96 0.02 1 275 . 26 VAL N N 117.5 0.5 1 276 . 26 VAL H H 7.21 0.02 1 277 . 26 VAL CA C 63.4 0.5 1 278 . 26 VAL HA H 3.93 0.02 1 279 . 26 VAL CB C 31.9 0.5 1 280 . 26 VAL HB H 1.95 0.02 1 281 . 26 VAL HG1 H 0.62 0.02 1 282 . 26 VAL HG2 H 0.72 0.02 1 283 . 26 VAL CG1 C 22.8 0.5 1 284 . 26 VAL CG2 C 22.7 0.5 1 285 . 27 VAL N N 109.7 0.5 1 286 . 27 VAL H H 7.18 0.02 1 287 . 27 VAL CA C 60.2 0.5 1 288 . 27 VAL HA H 4.64 0.02 1 289 . 27 VAL CB C 31.0 0.5 1 290 . 27 VAL HB H 2.44 0.02 1 291 . 27 VAL HG1 H 0.24 0.02 1 292 . 27 VAL HG2 H 0.76 0.02 1 293 . 27 VAL CG1 C 20.2 0.5 1 294 . 27 VAL CG2 C 18.6 0.5 1 295 . 28 SER N N 107.2 0.5 1 296 . 28 SER H H 6.73 0.02 1 297 . 28 SER CA C 57.5 0.5 1 298 . 28 SER HA H 4.00 0.02 1 299 . 28 SER CB C 65.1 0.5 1 300 . 28 SER HB2 H 1.66 0.02 1 301 . 28 SER HB3 H 3.69 0.02 1 302 . 28 SER HG H 3.65 0.02 1 303 . 29 THR N N 106.4 0.5 1 304 . 29 THR H H 6.75 0.02 1 305 . 29 THR CA C 57.9 0.5 1 306 . 29 THR HA H 4.67 0.02 1 307 . 29 THR CB C 72.8 0.5 1 308 . 29 THR HB H 4.38 0.02 1 309 . 29 THR HG2 H 1.26 0.02 1 310 . 29 THR HG1 H 4.89 0.02 1 311 . 29 THR CG2 C 21.2 0.5 1 312 . 30 ALA N N 126.8 0.5 1 313 . 30 ALA H H 9.13 0.02 1 314 . 30 ALA CA C 55.4 0.5 1 315 . 30 ALA HA H 4.55 0.02 1 316 . 30 ALA HB H 1.55 0.02 1 317 . 30 ALA CB C 18.1 0.5 1 318 . 31 GLU N N 117.9 0.5 1 319 . 31 GLU H H 9.29 0.02 1 320 . 31 GLU CA C 59.2 0.5 1 321 . 31 GLU HA H 3.95 0.02 1 322 . 31 GLU CB C 28.9 0.5 1 323 . 31 GLU HB2 H 1.96 0.02 2 324 . 31 GLU HB3 H 1.93 0.02 2 325 . 31 GLU CG C 36.5 0.5 1 326 . 31 GLU HG2 H 2.30 0.02 1 327 . 31 GLU HG3 H 2.33 0.02 1 328 . 32 GLY N N 110.1 0.5 1 329 . 32 GLY H H 7.89 0.02 1 330 . 32 GLY CA C 47.5 0.5 1 331 . 32 GLY HA2 H 3.82 0.02 2 332 . 32 GLY HA3 H 3.70 0.02 2 333 . 33 ILE N N 123.4 0.5 1 334 . 33 ILE H H 8.73 0.02 1 335 . 33 ILE CA C 65.1 0.5 1 336 . 33 ILE HA H 3.20 0.02 1 337 . 33 ILE CB C 38.5 0.5 1 338 . 33 ILE HB H 1.43 0.02 1 339 . 33 ILE HG2 H 0.57 0.02 1 340 . 33 ILE CG2 C 18.7 0.5 1 341 . 33 ILE CG1 C 31.1 0.5 1 342 . 33 ILE HG12 H 0.48 0.02 1 343 . 33 ILE HG13 H 1.45 0.02 1 344 . 33 ILE HD1 H -0.47 0.02 1 345 . 33 ILE CD1 C 11.4 0.5 1 346 . 34 ALA N N 119.9 0.5 1 347 . 34 ALA H H 8.10 0.02 1 348 . 34 ALA CA C 53.5 0.5 1 349 . 34 ALA HA H 3.73 0.02 1 350 . 34 ALA HB H 1.33 0.02 1 351 . 34 ALA CB C 18.4 0.5 1 352 . 35 SER N N 112.3 0.5 1 353 . 35 SER H H 7.57 0.02 1 354 . 35 SER CA C 61.0 0.5 1 355 . 35 SER HA H 4.18 0.02 1 356 . 35 SER CB C 63.8 0.5 1 357 . 35 SER HB2 H 4.07 0.02 1 358 . 35 SER HB3 H 4.03 0.02 1 359 . 36 TRP N N 115.1 0.5 1 360 . 36 TRP H H 6.72 0.02 1 361 . 36 TRP CA C 55.9 0.5 1 362 . 36 TRP HA H 4.89 0.02 1 363 . 36 TRP CB C 30.3 0.5 1 364 . 36 TRP HB2 H 2.59 0.02 1 365 . 36 TRP HB3 H 3.34 0.02 1 366 . 36 TRP CD1 C 129.4 0.5 1 367 . 36 TRP CE3 C 120.9 0.5 1 368 . 36 TRP NE1 N 129.5 0.5 1 369 . 36 TRP HD1 H 7.01 0.02 1 370 . 36 TRP HE3 H 7.48 0.02 1 371 . 36 TRP CZ3 C 119.5 0.5 1 372 . 36 TRP CZ2 C 112.7 0.5 1 373 . 36 TRP HE1 H 9.10 0.02 1 374 . 36 TRP HZ3 H 6.91 0.02 1 375 . 36 TRP CH2 C 123.5 0.5 1 376 . 36 TRP HZ2 H 6.68 0.02 1 377 . 36 TRP HH2 H 6.69 0.02 1 378 . 37 PHE N N 122.8 0.5 1 379 . 37 PHE H H 7.71 0.02 1 380 . 37 PHE CA C 55.8 0.5 1 381 . 37 PHE HA H 4.92 0.02 1 382 . 37 PHE CB C 36.9 0.5 1 383 . 37 PHE HB2 H 1.30 0.02 1 384 . 37 PHE HB3 H 2.16 0.02 1 385 . 37 PHE HD1 H 6.73 0.02 1 386 . 37 PHE HD2 H 6.73 0.02 1 387 . 37 PHE HE1 H 6.69 0.02 1 388 . 37 PHE HE2 H 6.69 0.02 1 389 . 37 PHE CD1 C 128.8 0.5 1 390 . 37 PHE CE1 C 130.9 0.5 1 391 . 37 PHE CZ C 129.0 0.5 1 392 . 37 PHE HZ H 5.91 0.02 1 393 . 37 PHE CE2 C 130.9 0.5 1 394 . 37 PHE CD2 C 128.8 0.5 1 395 . 38 MET N N 118.9 0.5 1 396 . 38 MET H H 6.38 0.02 1 397 . 38 MET CA C 53.7 0.5 1 398 . 38 MET HA H 4.67 0.02 1 399 . 38 MET CB C 36.4 0.5 1 400 . 38 MET HB2 H 0.77 0.02 2 401 . 38 MET HB3 H 1.81 0.02 2 402 . 38 MET CG C 32.7 0.5 1 403 . 38 MET HG2 H 1.00 0.02 2 404 . 38 MET HG3 H 1.71 0.02 2 405 . 38 MET HE H 1.61 0.02 1 406 . 38 MET CE C 18.2 0.5 1 407 . 39 PRO CD C 51.0 0.5 1 408 . 39 PRO CA C 63.4 0.5 1 409 . 39 PRO HA H 4.36 0.02 1 410 . 39 PRO CB C 31.7 0.5 1 411 . 39 PRO HB2 H 1.67 0.02 1 412 . 39 PRO HB3 H 2.39 0.02 1 413 . 39 PRO CG C 27.6 0.5 1 414 . 39 PRO HG2 H 1.91 0.02 2 415 . 39 PRO HG3 H 2.05 0.02 2 416 . 39 PRO HD2 H 3.84 0.02 1 417 . 39 PRO HD3 H 3.65 0.02 1 418 . 40 ASN N N 118.1 0.5 1 419 . 40 ASN H H 8.47 0.02 1 420 . 40 ASN CA C 54.4 0.5 1 421 . 40 ASN HA H 5.60 0.02 1 422 . 40 ASN CB C 44.2 0.5 1 423 . 40 ASN HB2 H 2.48 0.02 2 424 . 40 ASN HB3 H 2.82 0.02 2 425 . 40 ASN ND2 N 110.6 0.5 1 426 . 40 ASN HD21 H 7.49 0.02 1 427 . 40 ASN HD22 H 7.04 0.02 1 428 . 41 ASP N N 119.0 0.5 1 429 . 41 ASP H H 8.55 0.02 1 430 . 41 ASP CA C 52.0 0.5 1 431 . 41 ASP HA H 4.78 0.02 1 432 . 41 ASP CB C 38.6 0.5 1 433 . 41 ASP HB2 H 2.49 0.02 2 434 . 41 ASP HB3 H 2.97 0.02 2 435 . 42 PHE N N 121.8 0.5 1 436 . 42 PHE H H 9.23 0.02 1 437 . 42 PHE CA C 61.2 0.5 1 438 . 42 PHE HA H 2.60 0.02 1 439 . 42 PHE CB C 40.9 0.5 1 440 . 42 PHE HB2 H 2.16 0.02 2 441 . 42 PHE HB3 H 2.08 0.02 2 442 . 42 PHE HD1 H 5.61 0.02 1 443 . 42 PHE HD2 H 5.61 0.02 1 444 . 42 PHE HE1 H 6.71 0.02 1 445 . 42 PHE HE2 H 6.71 0.02 1 446 . 42 PHE CD1 C 129.9 0.5 1 447 . 42 PHE CE1 C 129.8 0.5 1 448 . 42 PHE CZ C 127.9 0.5 1 449 . 42 PHE HZ H 6.87 0.02 1 450 . 42 PHE CE2 C 129.8 0.5 1 451 . 42 PHE CD2 C 129.9 0.5 1 452 . 43 VAL N N 125.4 0.5 1 453 . 43 VAL H H 5.59 0.02 1 454 . 43 VAL CA C 61.4 0.5 1 455 . 43 VAL HA H 3.51 0.02 1 456 . 43 VAL CB C 35.1 0.5 1 457 . 43 VAL HB H 0.16 0.02 1 458 . 43 VAL HG1 H 0.38 0.02 1 459 . 43 VAL HG2 H 0.59 0.02 1 460 . 43 VAL CG1 C 20.7 0.5 1 461 . 43 VAL CG2 C 22.0 0.5 1 462 . 44 LEU N N 127.8 0.5 1 463 . 44 LEU H H 8.32 0.02 1 464 . 44 LEU CA C 53.2 0.5 1 465 . 44 LEU HA H 3.82 0.02 1 466 . 44 LEU CB C 40.5 0.5 1 467 . 44 LEU HB2 H 1.55 0.02 1 468 . 44 LEU HB3 H 2.16 0.02 1 469 . 44 LEU CG C 27.8 0.5 1 470 . 44 LEU HG H 1.88 0.02 1 471 . 44 LEU HD1 H 1.18 0.02 1 472 . 44 LEU HD2 H 1.33 0.02 1 473 . 44 LEU CD1 C 25.0 0.5 1 474 . 44 LEU CD2 C 26.7 0.5 1 475 . 45 GLU N N 128.0 0.5 1 476 . 45 GLU H H 7.75 0.02 1 477 . 45 GLU CA C 55.5 0.5 1 478 . 45 GLU HA H 4.38 0.02 1 479 . 45 GLU CB C 33.5 0.5 1 480 . 45 GLU HB2 H 1.61 0.02 1 481 . 45 GLU HB3 H 1.75 0.02 1 482 . 45 GLU CG C 36.2 0.5 1 483 . 45 GLU HG2 H 2.15 0.02 1 484 . 45 GLU HG3 H 2.15 0.02 1 485 . 46 VAL N N 128.3 0.5 1 486 . 46 VAL H H 9.11 0.02 1 487 . 46 VAL CA C 66.5 0.5 1 488 . 46 VAL HA H 3.25 0.02 1 489 . 46 VAL CB C 31.2 0.5 1 490 . 46 VAL HB H 2.02 0.02 1 491 . 46 VAL HG1 H 0.98 0.02 1 492 . 46 VAL HG2 H 1.11 0.02 1 493 . 46 VAL CG1 C 21.2 0.5 1 494 . 46 VAL CG2 C 23.3 0.5 1 495 . 47 GLY N N 116.2 0.5 1 496 . 47 GLY H H 8.70 0.02 1 497 . 47 GLY CA C 45.1 0.5 1 498 . 47 GLY HA2 H 4.40 0.02 2 499 . 47 GLY HA3 H 3.73 0.02 2 500 . 48 HIS N N 120.2 0.5 1 501 . 48 HIS H H 7.99 0.02 1 502 . 48 HIS CA C 57.2 0.5 1 503 . 48 HIS HA H 4.30 0.02 1 504 . 48 HIS CB C 30.3 0.5 1 505 . 48 HIS HB2 H 2.99 0.02 2 506 . 48 HIS HB3 H 3.22 0.02 2 507 . 48 HIS CD2 C 119.1 0.5 1 508 . 48 HIS CE1 C 135.1 0.5 1 509 . 48 HIS HD2 H 6.95 0.02 1 510 . 48 HIS HE1 H 7.99 0.02 1 511 . 49 GLU N N 129.7 0.5 1 512 . 49 GLU H H 8.62 0.02 1 513 . 49 GLU CA C 55.9 0.5 1 514 . 49 GLU HA H 5.07 0.02 1 515 . 49 GLU CB C 30.7 0.5 1 516 . 49 GLU HB2 H 1.86 0.02 1 517 . 49 GLU HB3 H 2.06 0.02 1 518 . 49 GLU CG C 37.4 0.5 1 519 . 49 GLU HG2 H 2.03 0.02 2 520 . 49 GLU HG3 H 2.36 0.02 2 521 . 50 PHE N N 121.6 0.5 1 522 . 50 PHE H H 8.66 0.02 1 523 . 50 PHE CA C 55.2 0.5 1 524 . 50 PHE HA H 5.09 0.02 1 525 . 50 PHE CB C 40.2 0.5 1 526 . 50 PHE HB2 H 2.90 0.02 1 527 . 50 PHE HB3 H 3.42 0.02 1 528 . 50 PHE HD1 H 7.06 0.02 1 529 . 50 PHE HD2 H 7.06 0.02 1 530 . 50 PHE HE1 H 7.20 0.02 1 531 . 50 PHE HE2 H 7.20 0.02 1 532 . 50 PHE CD1 C 132.1 0.5 1 533 . 50 PHE CE1 C 132.2 0.5 1 534 . 50 PHE CZ C 128.2 0.5 1 535 . 50 PHE HZ H 6.97 0.02 1 536 . 50 PHE CE2 C 132.2 0.5 1 537 . 50 PHE CD2 C 132.1 0.5 1 538 . 51 HIS N N 119.7 0.5 1 539 . 51 HIS H H 10.98 0.02 1 540 . 51 HIS CA C 55.9 0.5 1 541 . 51 HIS HA H 5.49 0.02 1 542 . 51 HIS CB C 32.5 0.5 1 543 . 51 HIS HB2 H 2.89 0.02 1 544 . 51 HIS HB3 H 2.83 0.02 1 545 . 51 HIS CD2 C 119.2 0.5 1 546 . 51 HIS CE1 C 135.2 0.5 1 547 . 51 HIS HD2 H 6.59 0.02 1 548 . 51 HIS HE1 H 8.01 0.02 1 549 . 52 VAL N N 114.6 0.5 1 550 . 52 VAL H H 8.18 0.02 1 551 . 52 VAL CA C 59.2 0.5 1 552 . 52 VAL HA H 4.97 0.02 1 553 . 52 VAL CB C 34.4 0.5 1 554 . 52 VAL HB H 1.82 0.02 1 555 . 52 VAL HG1 H 0.79 0.02 1 556 . 52 VAL HG2 H 0.79 0.02 1 557 . 52 VAL CG1 C 20.9 0.5 2 558 . 52 VAL CG2 C 22.0 0.5 2 559 . 53 GLN N N 123.8 0.5 1 560 . 53 GLN H H 8.22 0.02 1 561 . 53 GLN CA C 54.5 0.5 1 562 . 53 GLN HA H 4.34 0.02 1 563 . 53 GLN CB C 27.8 0.5 1 564 . 53 GLN HB2 H 1.72 0.02 1 565 . 53 GLN HB3 H 1.97 0.02 1 566 . 53 GLN CG C 32.3 0.5 1 567 . 53 GLN HG2 H 2.18 0.02 1 568 . 53 GLN HG3 H 2.18 0.02 1 569 . 53 GLN NE2 N 111.2 0.5 1 570 . 53 GLN HE21 H 7.49 0.02 1 571 . 53 GLN HE22 H 6.68 0.02 1 572 . 54 SER N N 122.7 0.5 1 573 . 54 SER H H 7.69 0.02 1 574 . 54 SER CA C 57.4 0.5 1 575 . 54 SER HA H 5.21 0.02 1 576 . 54 SER CB C 65.6 0.5 1 577 . 54 SER HB2 H 3.94 0.02 1 578 . 54 SER HB3 H 4.33 0.02 1 579 . 55 PRO CD C 50.8 0.5 1 580 . 55 PRO CA C 64.8 0.5 1 581 . 55 PRO HA H 4.28 0.02 1 582 . 55 PRO CB C 31.6 0.5 1 583 . 55 PRO HB2 H 1.24 0.02 1 584 . 55 PRO HB3 H 2.17 0.02 1 585 . 55 PRO CG C 27.9 0.5 1 586 . 55 PRO HG2 H 1.89 0.02 1 587 . 55 PRO HG3 H 1.89 0.02 1 588 . 55 PRO HD2 H 3.85 0.02 1 589 . 55 PRO HD3 H 3.60 0.02 1 590 . 56 PHE N N 113.4 0.5 1 591 . 56 PHE H H 7.62 0.02 1 592 . 56 PHE CA C 56.3 0.5 1 593 . 56 PHE HA H 4.75 0.02 1 594 . 56 PHE CB C 38.9 0.5 1 595 . 56 PHE HB2 H 2.85 0.02 2 596 . 56 PHE HB3 H 3.34 0.02 2 597 . 56 PHE HD1 H 7.25 0.02 1 598 . 56 PHE HD2 H 7.25 0.02 1 599 . 56 PHE HE1 H 7.34 0.02 1 600 . 56 PHE HE2 H 7.34 0.02 1 601 . 56 PHE CD1 C 131.2 0.5 1 602 . 56 PHE CE1 C 130.9 0.5 1 603 . 56 PHE CZ C 129.1 0.5 1 604 . 56 PHE HZ H 7.20 0.02 1 605 . 56 PHE CE2 C 130.9 0.5 1 606 . 56 PHE CD2 C 131.2 0.5 1 607 . 57 GLY N N 109.2 0.5 1 608 . 57 GLY H H 7.58 0.02 1 609 . 57 GLY CA C 43.9 0.5 1 610 . 57 GLY HA2 H 3.90 0.02 1 611 . 57 GLY HA3 H 4.71 0.02 1 612 . 58 PRO CD C 49.7 0.5 1 613 . 58 PRO CA C 63.0 0.5 1 614 . 58 PRO HA H 4.95 0.02 1 615 . 58 PRO CB C 31.7 0.5 1 616 . 58 PRO HB2 H 1.82 0.02 2 617 . 58 PRO HB3 H 2.18 0.02 2 618 . 58 PRO CG C 27.3 0.5 1 619 . 58 PRO HG2 H 2.07 0.02 1 620 . 58 PRO HG3 H 2.12 0.02 1 621 . 58 PRO HD2 H 3.67 0.02 1 622 . 58 PRO HD3 H 3.67 0.02 1 623 . 59 SER N N 120.4 0.5 1 624 . 59 SER H H 9.19 0.02 1 625 . 59 SER CA C 55.8 0.5 1 626 . 59 SER HA H 5.23 0.02 1 627 . 59 SER CB C 65.0 0.5 1 628 . 59 SER HB2 H 3.94 0.02 1 629 . 59 SER HB3 H 3.94 0.02 1 630 . 60 PRO CD C 51.3 0.5 1 631 . 60 PRO CA C 62.6 0.5 1 632 . 60 PRO HA H 4.16 0.02 1 633 . 60 PRO CB C 32.2 0.5 1 634 . 60 PRO HB2 H 2.02 0.02 1 635 . 60 PRO HB3 H 1.92 0.02 1 636 . 60 PRO CG C 27.3 0.5 1 637 . 60 PRO HG2 H 2.01 0.02 2 638 . 60 PRO HG3 H 2.09 0.02 2 639 . 60 PRO HD2 H 3.95 0.02 1 640 . 60 PRO HD3 H 3.95 0.02 1 641 . 61 CYS N N 120.5 0.5 1 642 . 61 CYS H H 8.66 0.02 1 643 . 61 CYS CA C 57.3 0.5 1 644 . 61 CYS HA H 5.07 0.02 1 645 . 61 CYS CB C 33.5 0.5 1 646 . 61 CYS HB2 H 0.35 0.02 1 647 . 61 CYS HB3 H 2.27 0.02 1 648 . 62 LYS N N 121.5 0.5 1 649 . 62 LYS H H 8.01 0.02 1 650 . 62 LYS CA C 55.7 0.5 1 651 . 62 LYS HA H 5.23 0.02 1 652 . 62 LYS CB C 36.2 0.5 1 653 . 62 LYS HB2 H 1.58 0.02 1 654 . 62 LYS HB3 H 1.83 0.02 1 655 . 62 LYS CG C 25.0 0.5 1 656 . 62 LYS HG2 H 1.10 0.02 2 657 . 62 LYS HG3 H 1.18 0.02 2 658 . 62 LYS CD C 29.8 0.5 1 659 . 62 LYS HD2 H 1.63 0.02 1 660 . 62 LYS HD3 H 1.63 0.02 1 661 . 62 LYS CE C 42.1 0.5 1 662 . 62 LYS HE2 H 2.96 0.02 1 663 . 62 LYS HE3 H 2.96 0.02 1 664 . 63 VAL N N 126.1 0.5 1 665 . 63 VAL H H 8.51 0.02 1 666 . 63 VAL CA C 65.5 0.5 1 667 . 63 VAL HA H 4.15 0.02 1 668 . 63 VAL CB C 31.6 0.5 1 669 . 63 VAL HB H 2.64 0.02 1 670 . 63 VAL HG1 H 1.02 0.02 1 671 . 63 VAL HG2 H 1.18 0.02 1 672 . 63 VAL CG1 C 22.8 0.5 1 673 . 63 VAL CG2 C 24.2 0.5 1 674 . 64 LEU N N 130.3 0.5 1 675 . 64 LEU H H 9.47 0.02 1 676 . 64 LEU CA C 56.1 0.5 1 677 . 64 LEU HA H 4.71 0.02 1 678 . 64 LEU CB C 43.3 0.5 1 679 . 64 LEU HB2 H 1.56 0.02 1 680 . 64 LEU HB3 H 1.89 0.02 1 681 . 64 LEU CG C 26.8 0.5 1 682 . 64 LEU HG H 1.98 0.02 1 683 . 64 LEU HD1 H 0.90 0.02 1 684 . 64 LEU HD2 H 0.85 0.02 1 685 . 64 LEU CD1 C 26.7 0.5 1 686 . 64 LEU CD2 C 22.0 0.5 1 687 . 65 GLU N N 115.4 0.5 1 688 . 65 GLU H H 7.60 0.02 1 689 . 65 GLU CA C 55.3 0.5 1 690 . 65 GLU HA H 4.80 0.02 1 691 . 65 GLU CB C 35.0 0.5 1 692 . 65 GLU HB2 H 2.03 0.02 1 693 . 65 GLU HB3 H 2.20 0.02 1 694 . 65 GLU CG C 36.0 0.5 1 695 . 65 GLU HG2 H 2.17 0.02 2 696 . 65 GLU HG3 H 2.34 0.02 2 697 . 66 ILE N N 119.6 0.5 1 698 . 66 ILE H H 8.69 0.02 1 699 . 66 ILE CA C 62.2 0.5 1 700 . 66 ILE HA H 4.55 0.02 1 701 . 66 ILE CB C 43.5 0.5 1 702 . 66 ILE HB H 1.75 0.02 1 703 . 66 ILE HG2 H 1.27 0.02 1 704 . 66 ILE CG2 C 18.4 0.5 1 705 . 66 ILE CG1 C 27.6 0.5 1 706 . 66 ILE HG12 H 1.07 0.02 1 707 . 66 ILE HG13 H 1.52 0.02 1 708 . 66 ILE HD1 H 0.86 0.02 1 709 . 66 ILE CD1 C 15.5 0.5 1 710 . 67 ASP N N 127.8 0.5 1 711 . 67 ASP H H 9.26 0.02 1 712 . 67 ASP CA C 53.0 0.5 1 713 . 67 ASP HA H 4.99 0.02 1 714 . 67 ASP CB C 42.1 0.5 1 715 . 67 ASP HB2 H 2.70 0.02 1 716 . 67 ASP HB3 H 2.83 0.02 1 717 . 68 GLU N N 128.1 0.5 1 718 . 68 GLU H H 9.24 0.02 1 719 . 68 GLU CA C 54.6 0.5 1 720 . 68 GLU HA H 3.25 0.02 1 721 . 68 GLU CB C 30.5 0.5 1 722 . 68 GLU HB2 H 1.84 0.02 1 723 . 68 GLU HB3 H 1.84 0.02 1 724 . 68 GLU CG C 34.9 0.5 1 725 . 68 GLU HG2 H 1.49 0.02 1 726 . 68 GLU HG3 H 1.73 0.02 1 727 . 69 PRO CD C 48.3 0.5 1 728 . 69 PRO CA C 63.9 0.5 1 729 . 69 PRO HA H 2.15 0.02 1 730 . 69 PRO CB C 30.1 0.5 1 731 . 69 PRO HB2 H 1.03 0.02 2 732 . 69 PRO HB3 H 2.02 0.02 2 733 . 69 PRO CG C 23.5 0.5 1 734 . 69 PRO HG2 H 1.26 0.02 2 735 . 69 PRO HG3 H 1.64 0.02 2 736 . 69 PRO HD2 H 3.08 0.02 1 737 . 69 PRO HD3 H 3.23 0.02 1 738 . 70 ASN N N 113.4 0.5 1 739 . 70 ASN H H 8.13 0.02 1 740 . 70 ASN CA C 55.7 0.5 1 741 . 70 ASN HA H 5.01 0.02 1 742 . 70 ASN CB C 42.8 0.5 1 743 . 70 ASN HB2 H 2.50 0.02 1 744 . 70 ASN HB3 H 3.02 0.02 1 745 . 70 ASN ND2 N 112.2 0.5 1 746 . 70 ASN HD21 H 7.40 0.02 1 747 . 70 ASN HD22 H 6.81 0.02 1 748 . 71 HIS N N 118.9 0.5 1 749 . 71 HIS H H 8.25 0.02 1 750 . 71 HIS CA C 55.8 0.5 1 751 . 71 HIS HA H 6.14 0.02 1 752 . 71 HIS CB C 32.1 0.5 1 753 . 71 HIS HB2 H 2.93 0.02 1 754 . 71 HIS HB3 H 3.52 0.02 1 755 . 71 HIS CD2 C 119.3 0.5 1 756 . 71 HIS CE1 C 135.3 0.5 1 757 . 71 HIS HD2 H 6.86 0.02 1 758 . 71 HIS HE1 H 8.07 0.02 1 759 . 72 LEU N N 128.7 0.5 1 760 . 72 LEU H H 8.60 0.02 1 761 . 72 LEU CA C 54.3 0.5 1 762 . 72 LEU HA H 4.97 0.02 1 763 . 72 LEU CB C 47.2 0.5 1 764 . 72 LEU HB2 H 1.90 0.02 1 765 . 72 LEU HB3 H 1.90 0.02 1 766 . 72 LEU CG C 27.8 0.5 1 767 . 72 LEU HG H 1.66 0.02 1 768 . 72 LEU HD1 H 0.80 0.02 2 769 . 72 LEU HD2 H 1.02 0.02 2 770 . 72 LEU CD1 C 26.4 0.5 2 771 . 72 LEU CD2 C 25.4 0.5 2 772 . 73 SER N N 116.4 0.5 1 773 . 73 SER H H 8.76 0.02 1 774 . 73 SER CA C 56.7 0.5 1 775 . 73 SER HA H 5.48 0.02 1 776 . 73 SER CB C 66.8 0.5 1 777 . 73 SER HB2 H 3.52 0.02 1 778 . 73 SER HB3 H 3.57 0.02 1 779 . 74 PHE N N 120.0 0.5 1 780 . 74 PHE H H 9.24 0.02 1 781 . 74 PHE CA C 55.6 0.5 1 782 . 74 PHE HA H 5.75 0.02 1 783 . 74 PHE CB C 42.8 0.5 1 784 . 74 PHE HB2 H 3.10 0.02 1 785 . 74 PHE HB3 H 3.30 0.02 1 786 . 74 PHE HD1 H 6.88 0.02 1 787 . 74 PHE HD2 H 6.88 0.02 1 788 . 74 PHE HE1 H 6.72 0.02 1 789 . 74 PHE HE2 H 6.72 0.02 1 790 . 74 PHE CD1 C 132.5 0.5 1 791 . 74 PHE CE1 C 129.4 0.5 1 792 . 74 PHE CZ C 127.5 0.5 1 793 . 74 PHE HZ H 6.65 0.02 1 794 . 74 PHE CE2 C 129.4 0.5 1 795 . 74 PHE CD2 C 132.5 0.5 1 796 . 75 SER N N 116.8 0.5 1 797 . 75 SER H H 9.65 0.02 1 798 . 75 SER CA C 57.1 0.5 1 799 . 75 SER HA H 5.05 0.02 1 800 . 75 SER CB C 64.4 0.5 1 801 . 75 SER HB2 H 3.96 0.02 1 802 . 75 SER HB3 H 4.32 0.02 1 803 . 76 TRP N N 124.5 0.5 1 804 . 76 TRP H H 7.97 0.02 1 805 . 76 TRP CA C 53.2 0.5 1 806 . 76 TRP HA H 6.16 0.02 1 807 . 76 TRP CB C 32.2 0.5 1 808 . 76 TRP HB2 H 2.98 0.02 2 809 . 76 TRP HB3 H 3.34 0.02 2 810 . 76 TRP CD1 C 124.5 0.5 1 811 . 76 TRP CE3 C 120.2 0.5 1 812 . 76 TRP NE1 N 125.4 0.5 1 813 . 76 TRP HD1 H 7.34 0.02 1 814 . 76 TRP HE3 H 7.10 0.02 1 815 . 76 TRP CZ3 C 121.2 0.5 1 816 . 76 TRP CZ2 C 113.4 0.5 1 817 . 76 TRP HE1 H 9.45 0.02 1 818 . 76 TRP HZ3 H 7.10 0.02 1 819 . 76 TRP CH2 C 123.9 0.5 1 820 . 76 TRP HZ2 H 7.42 0.02 1 821 . 76 TRP HH2 H 7.11 0.02 1 822 . 77 ASP N N 127.6 0.5 1 823 . 77 ASP H H 9.02 0.02 1 824 . 77 ASP CA C 54.9 0.5 1 825 . 77 ASP HA H 4.47 0.02 1 826 . 77 ASP CB C 42.8 0.5 1 827 . 77 ASP HB2 H 2.24 0.02 1 828 . 77 ASP HB3 H 3.17 0.02 1 829 . 78 THR N N 110.7 0.5 1 830 . 78 THR H H 9.85 0.02 1 831 . 78 THR CA C 62.7 0.5 1 832 . 78 THR HA H 4.49 0.02 1 833 . 78 THR CB C 68.9 0.5 1 834 . 78 THR HB H 4.61 0.02 1 835 . 78 THR HG2 H 1.08 0.02 1 836 . 78 THR CG2 C 21.2 0.5 1 837 . 79 ASP N N 121.6 0.5 1 838 . 79 ASP H H 8.36 0.02 1 839 . 79 ASP CA C 54.6 0.5 1 840 . 79 ASP HA H 4.84 0.02 1 841 . 79 ASP CB C 42.0 0.5 1 842 . 79 ASP HB2 H 1.73 0.02 1 843 . 79 ASP HB3 H 2.52 0.02 1 844 . 80 GLY N N 107.1 0.5 1 845 . 80 GLY H H 7.57 0.02 1 846 . 80 GLY CA C 45.1 0.5 1 847 . 80 GLY HA2 H 4.48 0.02 2 848 . 80 GLY HA3 H 3.43 0.02 2 849 . 81 TRP N N 118.9 0.5 1 850 . 81 TRP H H 7.89 0.02 1 851 . 81 TRP CA C 55.8 0.5 1 852 . 81 TRP HA H 5.22 0.02 1 853 . 81 TRP CB C 29.5 0.5 1 854 . 81 TRP HB2 H 2.66 0.02 1 855 . 81 TRP HB3 H 4.24 0.02 1 856 . 81 TRP CD1 C 124.1 0.5 1 857 . 81 TRP CE3 C 121.1 0.5 1 858 . 81 TRP HD1 H 6.12 0.02 1 859 . 81 TRP HE3 H 6.40 0.02 1 860 . 81 TRP CZ3 C 121.0 0.5 1 861 . 81 TRP CZ2 C 113.8 0.5 1 862 . 81 TRP HZ3 H 5.63 0.02 1 863 . 81 TRP CH2 C 123.9 0.5 1 864 . 81 TRP HZ2 H 7.06 0.02 1 865 . 81 TRP HH2 H 6.77 0.02 1 866 . 82 VAL N N 122.3 0.5 1 867 . 82 VAL H H 7.76 0.02 1 868 . 82 VAL CA C 61.6 0.5 1 869 . 82 VAL HA H 4.53 0.02 1 870 . 82 VAL CB C 35.6 0.5 1 871 . 82 VAL HB H 1.72 0.02 1 872 . 82 VAL HG1 H 0.69 0.02 1 873 . 82 VAL HG2 H 0.81 0.02 1 874 . 82 VAL CG1 C 20.9 0.5 1 875 . 82 VAL CG2 C 21.1 0.5 1 876 . 83 VAL N N 129.7 0.5 1 877 . 83 VAL H H 8.86 0.02 1 878 . 83 VAL CA C 60.0 0.5 1 879 . 83 VAL HA H 4.77 0.02 1 880 . 83 VAL CB C 32.9 0.5 1 881 . 83 VAL HB H 0.34 0.02 1 882 . 83 VAL HG1 H 0.26 0.02 1 883 . 83 VAL HG2 H 0.61 0.02 1 884 . 83 VAL CG1 C 22.4 0.5 1 885 . 83 VAL CG2 C 22.2 0.5 1 886 . 84 SER N N 119.1 0.5 1 887 . 84 SER H H 9.06 0.02 1 888 . 84 SER CA C 55.9 0.5 1 889 . 84 SER HA H 5.05 0.02 1 890 . 84 SER CB C 66.6 0.5 1 891 . 84 SER HB2 H 3.55 0.02 1 892 . 84 SER HB3 H 3.55 0.02 1 893 . 85 PHE N N 120.7 0.5 1 894 . 85 PHE H H 8.78 0.02 1 895 . 85 PHE CA C 52.0 0.5 1 896 . 85 PHE HA H 5.31 0.02 1 897 . 85 PHE CB C 41.2 0.5 1 898 . 85 PHE HB2 H 3.05 0.02 1 899 . 85 PHE HB3 H 3.09 0.02 1 900 . 85 PHE HD1 H 7.13 0.02 1 901 . 85 PHE HD2 H 7.13 0.02 1 902 . 85 PHE HE1 H 7.29 0.02 1 903 . 85 PHE HE2 H 7.29 0.02 1 904 . 85 PHE CD1 C 130.6 0.5 1 905 . 85 PHE CE1 C 130.7 0.5 1 906 . 85 PHE CZ C 128.1 0.5 1 907 . 85 PHE HZ H 7.02 0.02 1 908 . 85 PHE CE2 C 130.7 0.5 1 909 . 85 PHE CD2 C 130.6 0.5 1 910 . 86 ASP N N 121.6 0.5 1 911 . 86 ASP H H 8.72 0.02 1 912 . 86 ASP CA C 53.4 0.5 1 913 . 86 ASP HA H 6.00 0.02 1 914 . 86 ASP CB C 44.7 0.5 1 915 . 86 ASP HB2 H 2.33 0.02 1 916 . 86 ASP HB3 H 2.63 0.02 1 917 . 87 LEU N N 123.6 0.5 1 918 . 87 LEU H H 9.34 0.02 1 919 . 87 LEU CA C 55.5 0.5 1 920 . 87 LEU HA H 5.54 0.02 1 921 . 87 LEU CB C 44.7 0.5 1 922 . 87 LEU HB2 H 1.67 0.02 1 923 . 87 LEU HB3 H 2.40 0.02 1 924 . 87 LEU CG C 31.7 0.5 1 925 . 87 LEU HG H 1.98 0.02 1 926 . 87 LEU HD1 H 1.35 0.02 2 927 . 87 LEU HD2 H 1.16 0.02 2 928 . 87 LEU CD1 C 29.0 0.5 2 929 . 87 LEU CD2 C 24.8 0.5 2 930 . 88 LYS N N 122.3 0.5 1 931 . 88 LYS H H 8.96 0.02 1 932 . 88 LYS CA C 55.1 0.5 1 933 . 88 LYS HA H 4.56 0.02 1 934 . 88 LYS CB C 36.6 0.5 1 935 . 88 LYS HB2 H 1.77 0.02 2 936 . 88 LYS HB3 H 1.70 0.02 2 937 . 88 LYS CG C 25.0 0.5 1 938 . 88 LYS HG2 H 1.38 0.02 1 939 . 88 LYS HG3 H 1.17 0.02 1 940 . 88 LYS CD C 29.4 0.5 1 941 . 88 LYS HD2 H 1.60 0.02 1 942 . 88 LYS HD3 H 1.60 0.02 1 943 . 88 LYS CE C 42.0 0.5 1 944 . 88 LYS HE2 H 2.88 0.02 1 945 . 88 LYS HE3 H 2.88 0.02 1 946 . 89 ASP N N 126.8 0.5 1 947 . 89 ASP H H 9.20 0.02 1 948 . 89 ASP CA C 54.1 0.5 1 949 . 89 ASP HA H 4.72 0.02 1 950 . 89 ASP CB C 40.9 0.5 1 951 . 89 ASP HB2 H 2.58 0.02 1 952 . 89 ASP HB3 H 2.96 0.02 1 953 . 90 LEU N N 128.1 0.5 1 954 . 90 LEU H H 8.53 0.02 1 955 . 90 LEU CA C 54.6 0.5 1 956 . 90 LEU HA H 4.41 0.02 1 957 . 90 LEU CB C 42.3 0.5 1 958 . 90 LEU HB2 H 1.65 0.02 1 959 . 90 LEU HB3 H 1.69 0.02 1 960 . 90 LEU CG C 26.9 0.5 1 961 . 90 LEU HG H 1.65 0.02 1 962 . 90 LEU HD1 H 0.76 0.02 1 963 . 90 LEU HD2 H 0.87 0.02 1 964 . 90 LEU CD1 C 22.0 0.5 1 965 . 90 LEU CD2 C 27.0 0.5 1 966 . 91 GLY N N 109.6 0.5 1 967 . 91 GLY H H 8.52 0.02 1 968 . 91 GLY CA C 44.1 0.5 1 969 . 91 GLY HA2 H 4.32 0.02 2 970 . 91 GLY HA3 H 3.80 0.02 2 971 . 92 ASP N N 116.5 0.5 1 972 . 92 ASP H H 8.66 0.02 1 973 . 92 ASP CA C 55.3 0.5 1 974 . 92 ASP HA H 4.20 0.02 1 975 . 92 ASP CB C 40.2 0.5 1 976 . 92 ASP HB2 H 2.47 0.02 1 977 . 92 ASP HB3 H 2.82 0.02 1 978 . 93 ASN N N 111.3 0.5 1 979 . 93 ASN H H 9.04 0.02 1 980 . 93 ASN CA C 54.5 0.5 1 981 . 93 ASN HA H 4.05 0.02 1 982 . 93 ASN CB C 37.6 0.5 1 983 . 93 ASN HB2 H 2.80 0.02 1 984 . 93 ASN HB3 H 2.80 0.02 1 985 . 93 ASN ND2 N 113.9 0.5 1 986 . 93 ASN HD21 H 7.49 0.02 1 987 . 93 ASN HD22 H 6.81 0.02 1 988 . 94 LYS N N 114.6 0.5 1 989 . 94 LYS H H 7.00 0.02 1 990 . 94 LYS CA C 55.1 0.5 1 991 . 94 LYS HA H 5.18 0.02 1 992 . 94 LYS CB C 35.5 0.5 1 993 . 94 LYS HB2 H 1.47 0.02 1 994 . 94 LYS HB3 H 1.88 0.02 1 995 . 94 LYS CG C 25.1 0.5 1 996 . 94 LYS HG2 H 1.41 0.02 1 997 . 94 LYS HG3 H 1.44 0.02 1 998 . 94 LYS CD C 28.9 0.5 1 999 . 94 LYS HD2 H 1.55 0.02 2 1000 . 94 LYS HD3 H 1.62 0.02 2 1001 . 94 LYS CE C 42.2 0.5 1 1002 . 94 LYS HE2 H 2.92 0.02 1 1003 . 94 LYS HE3 H 2.92 0.02 1 1004 . 95 THR N N 119.2 0.5 1 1005 . 95 THR H H 8.86 0.02 1 1006 . 95 THR CA C 61.8 0.5 1 1007 . 95 THR HA H 5.14 0.02 1 1008 . 95 THR CB C 72.4 0.5 1 1009 . 95 THR HB H 3.86 0.02 1 1010 . 95 THR HG2 H 1.17 0.02 1 1011 . 95 THR HG1 H 5.81 0.02 1 1012 . 95 THR CG2 C 21.2 0.5 1 1013 . 96 GLU N N 128.4 0.5 1 1014 . 96 GLU H H 9.51 0.02 1 1015 . 96 GLU CA C 55.6 0.5 1 1016 . 96 GLU HA H 4.70 0.02 1 1017 . 96 GLU CB C 32.5 0.5 1 1018 . 96 GLU HB2 H 1.95 0.02 1 1019 . 96 GLU HB3 H 2.15 0.02 1 1020 . 96 GLU CG C 37.5 0.5 1 1021 . 96 GLU HG2 H 1.84 0.02 1 1022 . 96 GLU HG3 H 1.84 0.02 1 1023 . 97 PHE N N 134.2 0.5 1 1024 . 97 PHE H H 9.62 0.02 1 1025 . 97 PHE CA C 56.8 0.5 1 1026 . 97 PHE HA H 5.37 0.02 1 1027 . 97 PHE CB C 43.8 0.5 1 1028 . 97 PHE HB2 H 2.49 0.02 1 1029 . 97 PHE HB3 H 2.77 0.02 1 1030 . 97 PHE HD1 H 6.88 0.02 1 1031 . 97 PHE HD2 H 6.88 0.02 1 1032 . 97 PHE HE1 H 6.71 0.02 1 1033 . 97 PHE HE2 H 6.71 0.02 1 1034 . 97 PHE CD1 C 130.7 0.5 1 1035 . 97 PHE CE1 C 130.4 0.5 1 1036 . 97 PHE CZ C 128.2 0.5 1 1037 . 97 PHE HZ H 6.25 0.02 1 1038 . 97 PHE CE2 C 130.4 0.5 1 1039 . 97 PHE CD2 C 130.7 0.5 1 1040 . 98 THR N N 124.3 0.5 1 1041 . 98 THR H H 8.93 0.02 1 1042 . 98 THR CA C 61.5 0.5 1 1043 . 98 THR HA H 4.99 0.02 1 1044 . 98 THR CB C 71.3 0.5 1 1045 . 98 THR HB H 3.75 0.02 1 1046 . 98 THR HG2 H 0.95 0.02 1 1047 . 98 THR CG2 C 21.2 0.5 1 1048 . 99 LEU N N 131.1 0.5 1 1049 . 99 LEU H H 8.90 0.02 1 1050 . 99 LEU CA C 52.2 0.5 1 1051 . 99 LEU HA H 4.94 0.02 1 1052 . 99 LEU CB C 44.8 0.5 1 1053 . 99 LEU HB2 H 1.51 0.02 1 1054 . 99 LEU HB3 H 1.51 0.02 1 1055 . 99 LEU CG C 28.1 0.5 1 1056 . 99 LEU HG H 1.27 0.02 1 1057 . 99 LEU HD1 H 0.01 0.02 2 1058 . 99 LEU HD2 H 0.12 0.02 2 1059 . 99 LEU CD1 C 23.0 0.5 2 1060 . 99 LEU CD2 C 25.1 0.5 2 1061 . 100 ILE N N 124.7 0.5 1 1062 . 100 ILE H H 8.66 0.02 1 1063 . 100 ILE CA C 59.8 0.5 1 1064 . 100 ILE HA H 5.08 0.02 1 1065 . 100 ILE CB C 40.6 0.5 1 1066 . 100 ILE HB H 1.68 0.02 1 1067 . 100 ILE HG2 H 0.79 0.02 1 1068 . 100 ILE CG2 C 18.1 0.5 1 1069 . 100 ILE CG1 C 28.4 0.5 1 1070 . 100 ILE HG12 H 1.47 0.02 1 1071 . 100 ILE HG13 H 1.47 0.02 1 1072 . 100 ILE HD1 H 0.75 0.02 1 1073 . 100 ILE CD1 C 13.6 0.5 1 1074 . 101 HIS N N 128.5 0.5 1 1075 . 101 HIS H H 9.27 0.02 1 1076 . 101 HIS CA C 53.2 0.5 1 1077 . 101 HIS HA H 5.49 0.02 1 1078 . 101 HIS CB C 33.0 0.5 1 1079 . 101 HIS HB2 H 2.64 0.02 1 1080 . 101 HIS HB3 H 3.37 0.02 1 1081 . 101 HIS CD2 C 114.4 0.5 1 1082 . 101 HIS CE1 C 135.5 0.5 1 1083 . 101 HIS HD2 H 7.25 0.02 1 1084 . 101 HIS HE1 H 7.76 0.02 1 1085 . 102 GLY N N 117.9 0.5 1 1086 . 102 GLY H H 9.48 0.02 1 1087 . 102 GLY CA C 43.6 0.5 1 1088 . 102 GLY HA2 H 5.11 0.02 1 1089 . 102 GLY HA3 H 3.89 0.02 1 1090 . 103 GLY N N 106.7 0.5 1 1091 . 103 GLY H H 8.67 0.02 1 1092 . 103 GLY CA C 45.4 0.5 1 1093 . 103 GLY HA2 H 3.65 0.02 2 1094 . 103 GLY HA3 H 4.60 0.02 2 1095 . 104 TRP N N 121.8 0.5 1 1096 . 104 TRP H H 8.05 0.02 1 1097 . 104 TRP CA C 57.1 0.5 1 1098 . 104 TRP HA H 4.33 0.02 1 1099 . 104 TRP CB C 30.7 0.5 1 1100 . 104 TRP HB2 H 3.04 0.02 1 1101 . 104 TRP HB3 H 3.40 0.02 1 1102 . 104 TRP CD1 C 128.1 0.5 1 1103 . 104 TRP CE3 C 120.6 0.5 1 1104 . 104 TRP NE1 N 126.7 0.5 1 1105 . 104 TRP HD1 H 7.61 0.02 1 1106 . 104 TRP HE3 H 8.09 0.02 1 1107 . 104 TRP CZ3 C 120.2 0.5 1 1108 . 104 TRP CZ2 C 113.5 0.5 1 1109 . 104 TRP HE1 H 8.21 0.02 1 1110 . 104 TRP HZ3 H 7.14 0.02 1 1111 . 104 TRP CH2 C 123.3 0.5 1 1112 . 104 TRP HZ2 H 5.60 0.02 1 1113 . 104 TRP HH2 H 6.64 0.02 1 1114 . 105 LYS N N 122.3 0.5 1 1115 . 105 LYS H H 9.04 0.02 1 1116 . 105 LYS CA C 55.3 0.5 1 1117 . 105 LYS HA H 4.57 0.02 1 1118 . 105 LYS CB C 33.2 0.5 1 1119 . 105 LYS HB2 H 1.83 0.02 2 1120 . 105 LYS HB3 H 2.23 0.02 2 1121 . 105 LYS CG C 25.4 0.5 1 1122 . 105 LYS HG2 H 1.47 0.02 1 1123 . 105 LYS HG3 H 1.63 0.02 1 1124 . 105 LYS CD C 29.4 0.5 1 1125 . 105 LYS HD2 H 1.71 0.02 1 1126 . 105 LYS HD3 H 1.71 0.02 1 1127 . 105 LYS CE C 42.4 0.5 1 1128 . 105 LYS HE2 H 3.05 0.02 1 1129 . 105 LYS HE3 H 3.05 0.02 1 1130 . 106 HIS N N 120.5 0.5 1 1131 . 106 HIS H H 8.15 0.02 1 1132 . 106 HIS CA C 50.7 0.5 1 1133 . 106 HIS HA H 4.67 0.02 1 1134 . 106 HIS CB C 30.6 0.5 1 1135 . 106 HIS HB2 H 3.19 0.02 2 1136 . 106 HIS HB3 H 3.29 0.02 2 1137 . 106 HIS CD2 C 119.2 0.5 1 1138 . 106 HIS CE1 C 135.5 0.5 1 1139 . 106 HIS HD2 H 7.25 0.02 1 1140 . 106 HIS HE1 H 8.07 0.02 1 1141 . 107 PRO CD C 50.4 0.5 1 1142 . 107 PRO CA C 65.6 0.5 1 1143 . 107 PRO HA H 4.06 0.02 1 1144 . 107 PRO CB C 33.0 0.5 1 1145 . 107 PRO HB2 H 1.96 0.02 1 1146 . 107 PRO HB3 H 2.27 0.02 1 1147 . 107 PRO CG C 27.3 0.5 1 1148 . 107 PRO HG2 H 1.81 0.02 2 1149 . 107 PRO HG3 H 1.85 0.02 2 1150 . 107 PRO HD2 H 2.90 0.02 1 1151 . 107 PRO HD3 H 3.43 0.02 1 1152 . 108 ASP N N 114.1 0.5 1 1153 . 108 ASP H H 9.52 0.02 1 1154 . 108 ASP CA C 54.6 0.5 1 1155 . 108 ASP HA H 4.76 0.02 1 1156 . 108 ASP CB C 41.6 0.5 1 1157 . 108 ASP HB2 H 2.70 0.02 1 1158 . 108 ASP HB3 H 2.91 0.02 1 1159 . 109 GLU N N 121.7 0.5 1 1160 . 109 GLU H H 8.01 0.02 1 1161 . 109 GLU CA C 56.8 0.5 1 1162 . 109 GLU HA H 4.23 0.02 1 1163 . 109 GLU CB C 30.5 0.5 1 1164 . 109 GLU HB2 H 2.13 0.02 1 1165 . 109 GLU HB3 H 2.13 0.02 1 1166 . 109 GLU CG C 36.6 0.5 1 1167 . 109 GLU HG2 H 2.25 0.02 1 1168 . 109 GLU HG3 H 2.30 0.02 1 1169 . 110 ILE N N 129.5 0.5 1 1170 . 110 ILE H H 8.93 0.02 1 1171 . 110 ILE CA C 60.7 0.5 1 1172 . 110 ILE HA H 4.03 0.02 1 1173 . 110 ILE CB C 37.5 0.5 1 1174 . 110 ILE HB H 1.84 0.02 1 1175 . 110 ILE HG2 H 0.64 0.02 1 1176 . 110 ILE CG2 C 17.0 0.5 1 1177 . 110 ILE CG1 C 27.9 0.5 1 1178 . 110 ILE HG12 H 1.16 0.02 2 1179 . 110 ILE HG13 H 1.53 0.02 2 1180 . 110 ILE HD1 H 0.74 0.02 1 1181 . 110 ILE CD1 C 11.7 0.5 1 1182 . 111 LEU N N 130.0 0.5 1 1183 . 111 LEU H H 8.29 0.02 1 1184 . 111 LEU CA C 51.8 0.5 1 1185 . 111 LEU HA H 4.67 0.02 1 1186 . 111 LEU CB C 41.1 0.5 1 1187 . 111 LEU HB2 H 1.55 0.02 2 1188 . 111 LEU HB3 H 1.72 0.02 2 1189 . 111 LEU CG C 26.9 0.5 1 1190 . 111 LEU HG H 1.82 0.02 1 1191 . 111 LEU HD1 H 0.79 0.02 2 1192 . 111 LEU HD2 H 1.05 0.02 2 1193 . 111 LEU CD1 C 23.2 0.5 2 1194 . 111 LEU CD2 C 26.2 0.5 2 1195 . 112 PRO CD C 51.0 0.5 1 1196 . 112 PRO CA C 65.3 0.5 1 1197 . 112 PRO HA H 4.16 0.02 1 1198 . 112 PRO CB C 32.4 0.5 1 1199 . 112 PRO HB2 H 1.92 0.02 1 1200 . 112 PRO HB3 H 2.28 0.02 1 1201 . 112 PRO CG C 27.6 0.5 1 1202 . 112 PRO HG2 H 1.94 0.02 1 1203 . 112 PRO HG3 H 2.05 0.02 1 1204 . 112 PRO HD2 H 3.78 0.02 2 1205 . 112 PRO HD3 H 3.97 0.02 2 1206 . 113 LYS N N 117.1 0.5 1 1207 . 113 LYS H H 8.83 0.02 1 1208 . 113 LYS CA C 58.5 0.5 1 1209 . 113 LYS HA H 4.03 0.02 1 1210 . 113 LYS CB C 31.2 0.5 1 1211 . 113 LYS HB2 H 1.66 0.02 1 1212 . 113 LYS HB3 H 1.66 0.02 1 1213 . 113 LYS CG C 25.3 0.5 1 1214 . 113 LYS HG2 H 1.30 0.02 2 1215 . 113 LYS HG3 H 1.37 0.02 2 1216 . 113 LYS CD C 28.9 0.5 1 1217 . 113 LYS HD2 H 1.58 0.02 1 1218 . 113 LYS HD3 H 1.58 0.02 1 1219 . 113 LYS CE C 42.0 0.5 1 1220 . 113 LYS HE2 H 2.92 0.02 1 1221 . 113 LYS HE3 H 2.92 0.02 1 1222 . 114 ALA N N 119.6 0.5 1 1223 . 114 ALA H H 7.49 0.02 1 1224 . 114 ALA CA C 52.0 0.5 1 1225 . 114 ALA HA H 4.16 0.02 1 1226 . 114 ALA HB H 1.24 0.02 1 1227 . 114 ALA CB C 20.0 0.5 1 1228 . 115 ASN N N 115.3 0.5 1 1229 . 115 ASN H H 8.15 0.02 1 1230 . 115 ASN CA C 53.5 0.5 1 1231 . 115 ASN HA H 4.24 0.02 1 1232 . 115 ASN CB C 37.7 0.5 1 1233 . 115 ASN HB2 H 2.50 0.02 1 1234 . 115 ASN HB3 H 3.10 0.02 1 1235 . 115 ASN ND2 N 111.5 0.5 1 1236 . 115 ASN HD21 H 7.50 0.02 2 1237 . 115 ASN HD22 H 6.74 0.02 2 1238 . 116 ALA CA C 50.8 0.5 1 1239 . 116 ALA HA H 4.65 0.02 1 1240 . 116 ALA HB H 1.32 0.02 1 1241 . 116 ALA CB C 22.7 0.5 1 1242 . 117 LYS N N 119.2 0.5 1 1243 . 117 LYS H H 8.53 0.02 1 1244 . 117 LYS CA C 57.6 0.5 1 1245 . 117 LYS HA H 4.15 0.02 1 1246 . 117 LYS CB C 33.6 0.5 1 1247 . 117 LYS HB2 H 1.77 0.02 1 1248 . 117 LYS HB3 H 2.20 0.02 1 1249 . 117 LYS CG C 25.9 0.5 1 1250 . 117 LYS HG2 H 1.51 0.02 1 1251 . 117 LYS HG3 H 1.61 0.02 1 1252 . 117 LYS CD C 29.9 0.5 1 1253 . 117 LYS HD2 H 1.76 0.02 2 1254 . 117 LYS HD3 H 1.84 0.02 2 1255 . 117 LYS CE C 42.2 0.5 1 1256 . 117 LYS HE2 H 3.02 0.02 1 1257 . 117 LYS HE3 H 3.02 0.02 1 1258 . 118 SER N N 119.2 0.5 1 1259 . 118 SER H H 8.65 0.02 1 1260 . 118 SER HA H 4.29 0.02 1 1261 . 119 SER N N 114.6 0.5 1 1262 . 119 SER H H 9.10 0.02 1 1263 . 119 SER CA C 65.4 0.5 1 1264 . 119 SER HA H 4.06 0.02 1 1265 . 119 SER CB C 61.3 0.5 1 1266 . 119 SER HB2 H 3.85 0.02 2 1267 . 119 SER HB3 H 3.90 0.02 2 1268 . 120 ILE N N 123.4 0.5 1 1269 . 120 ILE H H 6.94 0.02 1 1270 . 120 ILE CA C 63.4 0.5 1 1271 . 120 ILE HA H 3.96 0.02 1 1272 . 120 ILE CB C 37.7 0.5 1 1273 . 120 ILE HB H 2.11 0.02 1 1274 . 120 ILE HG2 H 0.94 0.02 1 1275 . 120 ILE CG2 C 16.7 0.5 1 1276 . 120 ILE CG1 C 28.6 0.5 1 1277 . 120 ILE HG12 H 1.29 0.02 1 1278 . 120 ILE HG13 H 1.65 0.02 1 1279 . 120 ILE HD1 H 0.96 0.02 1 1280 . 120 ILE CD1 C 12.6 0.5 1 1281 . 121 ILE N N 120.2 0.5 1 1282 . 121 ILE H H 7.73 0.02 1 1283 . 121 ILE CA C 62.3 0.5 1 1284 . 121 ILE HA H 3.88 0.02 1 1285 . 121 ILE CB C 36.4 0.5 1 1286 . 121 ILE HB H 2.33 0.02 1 1287 . 121 ILE HG2 H 1.37 0.02 1 1288 . 121 ILE CG2 C 18.8 0.5 1 1289 . 121 ILE CG1 C 27.6 0.5 1 1290 . 121 ILE HG12 H 1.44 0.02 2 1291 . 121 ILE HG13 H 1.63 0.02 2 1292 . 121 ILE HD1 H 0.87 0.02 1 1293 . 121 ILE CD1 C 10.8 0.5 1 1294 . 122 ARG N N 122.8 0.5 1 1295 . 122 ARG H H 8.86 0.02 1 1296 . 122 ARG CA C 60.2 0.5 1 1297 . 122 ARG HA H 2.99 0.02 1 1298 . 122 ARG CB C 28.5 0.5 1 1299 . 122 ARG HB2 H 0.49 0.02 2 1300 . 122 ARG HB3 H 1.17 0.02 2 1301 . 122 ARG CG C 26.8 0.5 1 1302 . 122 ARG HG2 H -0.20 0.02 2 1303 . 122 ARG HG3 H 0.78 0.02 2 1304 . 122 ARG CD C 43.6 0.5 1 1305 . 122 ARG HD2 H 2.15 0.02 2 1306 . 122 ARG HD3 H 2.63 0.02 2 1307 . 122 ARG NE N 83.5 0.5 1 1308 . 122 ARG HE H 7.10 0.02 1 1309 . 123 ASP N N 119.9 0.5 1 1310 . 123 ASP H H 7.67 0.02 1 1311 . 123 ASP CA C 57.8 0.5 1 1312 . 123 ASP HA H 4.33 0.02 1 1313 . 123 ASP CB C 40.4 0.5 1 1314 . 123 ASP HB2 H 2.81 0.02 2 1315 . 123 ASP HB3 H 2.70 0.02 2 1316 . 124 ARG N N 120.8 0.5 1 1317 . 124 ARG H H 7.98 0.02 1 1318 . 124 ARG CA C 59.5 0.5 1 1319 . 124 ARG HA H 4.17 0.02 1 1320 . 124 ARG CB C 30.6 0.5 1 1321 . 124 ARG HB2 H 2.02 0.02 1 1322 . 124 ARG HB3 H 2.07 0.02 1 1323 . 124 ARG CG C 27.2 0.5 1 1324 . 124 ARG HG2 H 1.77 0.02 1 1325 . 124 ARG HG3 H 1.93 0.02 1 1326 . 124 ARG CD C 44.2 0.5 1 1327 . 124 ARG HD2 H 3.14 0.02 2 1328 . 124 ARG HD3 H 3.27 0.02 2 1329 . 125 MET N N 119.3 0.5 1 1330 . 125 MET H H 9.04 0.02 1 1331 . 125 MET CA C 57.8 0.5 1 1332 . 125 MET HA H 4.46 0.02 1 1333 . 125 MET CB C 31.3 0.5 1 1334 . 125 MET HB2 H 2.12 0.02 1 1335 . 125 MET HB3 H 2.12 0.02 1 1336 . 125 MET CG C 31.2 0.5 1 1337 . 125 MET HG2 H 2.15 0.02 1 1338 . 125 MET HG3 H 2.15 0.02 1 1339 . 125 MET HE H 1.89 0.02 1 1340 . 125 MET CE C 17.8 0.5 1 1341 . 126 SER N N 117.2 0.5 1 1342 . 126 SER H H 8.89 0.02 1 1343 . 126 SER CA C 62.5 0.5 1 1344 . 126 SER HA H 4.37 0.02 1 1345 . 126 SER CB C 62.5 0.5 1 1346 . 126 SER HB2 H 4.11 0.02 2 1347 . 126 SER HB3 H 4.00 0.02 2 1348 . 127 GLY N N 105.9 0.5 1 1349 . 127 GLY H H 7.60 0.02 1 1350 . 127 GLY CA C 47.1 0.5 1 1351 . 127 GLY HA2 H 4.08 0.02 1 1352 . 127 GLY HA3 H 4.08 0.02 1 1353 . 128 GLY N N 110.6 0.5 1 1354 . 128 GLY H H 8.21 0.02 1 1355 . 128 GLY CA C 47.2 0.5 1 1356 . 128 GLY HA2 H 4.04 0.02 1 1357 . 128 GLY HA3 H 4.04 0.02 1 1358 . 129 TRP N N 121.6 0.5 1 1359 . 129 TRP H H 9.06 0.02 1 1360 . 129 TRP CA C 60.4 0.5 1 1361 . 129 TRP HA H 5.06 0.02 1 1362 . 129 TRP CB C 30.7 0.5 1 1363 . 129 TRP HB2 H 3.31 0.02 2 1364 . 129 TRP HB3 H 3.53 0.02 2 1365 . 129 TRP CD1 C 127.1 0.5 1 1366 . 129 TRP CE3 C 121.1 0.5 1 1367 . 129 TRP HD1 H 7.21 0.02 1 1368 . 129 TRP HE3 H 7.79 0.02 1 1369 . 129 TRP CZ3 C 121.1 0.5 1 1370 . 129 TRP CZ2 C 113.8 0.5 1 1371 . 129 TRP HE1 H 13.29 0.02 1 1372 . 129 TRP HZ3 H 7.05 0.02 1 1373 . 129 TRP CH2 C 124.2 0.5 1 1374 . 129 TRP HZ2 H 7.43 0.02 1 1375 . 129 TRP HH2 H 6.52 0.02 1 1376 . 130 VAL N N 118.9 0.5 1 1377 . 130 VAL H H 7.83 0.02 1 1378 . 130 VAL CA C 67.5 0.5 1 1379 . 130 VAL HA H 3.66 0.02 1 1380 . 130 VAL CB C 31.7 0.5 1 1381 . 130 VAL HB H 2.33 0.02 1 1382 . 130 VAL HG1 H 1.05 0.02 1 1383 . 130 VAL HG2 H 1.24 0.02 1 1384 . 130 VAL CG1 C 21.2 0.5 1 1385 . 130 VAL CG2 C 22.7 0.5 1 1386 . 131 ALA N N 120.9 0.5 1 1387 . 131 ALA H H 7.35 0.02 1 1388 . 131 ALA CA C 55.2 0.5 1 1389 . 131 ALA HA H 4.37 0.02 1 1390 . 131 ALA HB H 1.62 0.02 1 1391 . 131 ALA CB C 18.5 0.5 1 1392 . 132 ILE N N 119.3 0.5 1 1393 . 132 ILE H H 8.50 0.02 1 1394 . 132 ILE CA C 66.4 0.5 1 1395 . 132 ILE HA H 3.88 0.02 1 1396 . 132 ILE CB C 39.3 0.5 1 1397 . 132 ILE HB H 2.39 0.02 1 1398 . 132 ILE HG2 H 1.74 0.02 1 1399 . 132 ILE CG2 C 19.2 0.5 1 1400 . 132 ILE CG1 C 30.2 0.5 1 1401 . 132 ILE HG12 H 1.44 0.02 1 1402 . 132 ILE HG13 H 1.99 0.02 1 1403 . 132 ILE HD1 H 0.73 0.02 1 1404 . 132 ILE CD1 C 13.5 0.5 1 1405 . 133 VAL N N 117.5 0.5 1 1406 . 133 VAL H H 8.77 0.02 1 1407 . 133 VAL CA C 66.8 0.5 1 1408 . 133 VAL HA H 3.81 0.02 1 1409 . 133 VAL CB C 32.5 0.5 1 1410 . 133 VAL HB H 2.26 0.02 1 1411 . 133 VAL HG1 H 0.96 0.02 1 1412 . 133 VAL HG2 H 1.29 0.02 1 1413 . 133 VAL CG1 C 22.3 0.5 1 1414 . 133 VAL CG2 C 23.8 0.5 1 1415 . 134 ASN N N 113.0 0.5 1 1416 . 134 ASN H H 8.22 0.02 1 1417 . 134 ASN CA C 56.0 0.5 1 1418 . 134 ASN HA H 4.43 0.02 1 1419 . 134 ASN CB C 39.1 0.5 1 1420 . 134 ASN HB2 H 2.70 0.02 1 1421 . 134 ASN HB3 H 3.17 0.02 1 1422 . 134 ASN ND2 N 111.7 0.5 1 1423 . 134 ASN HD21 H 7.80 0.02 1 1424 . 134 ASN HD22 H 6.97 0.02 1 1425 . 135 GLU N N 114.3 0.5 1 1426 . 135 GLU H H 8.11 0.02 1 1427 . 135 GLU CA C 57.2 0.5 1 1428 . 135 GLU HA H 4.69 0.02 1 1429 . 135 GLU CB C 30.7 0.5 1 1430 . 135 GLU HB2 H 2.35 0.02 1 1431 . 135 GLU HB3 H 2.22 0.02 1 1432 . 135 GLU CG C 35.9 0.5 1 1433 . 135 GLU HG2 H 2.33 0.02 1 1434 . 135 GLU HG3 H 2.21 0.02 1 1435 . 136 LYS N N 118.4 0.5 1 1436 . 136 LYS H H 7.79 0.02 1 1437 . 136 LYS CA C 59.9 0.5 1 1438 . 136 LYS HA H 4.34 0.02 1 1439 . 136 LYS CB C 33.0 0.5 1 1440 . 136 LYS HB2 H 2.28 0.02 2 1441 . 136 LYS HB3 H 2.71 0.02 2 1442 . 136 LYS CG C 25.4 0.5 1 1443 . 136 LYS HG2 H 1.62 0.02 1 1444 . 136 LYS HG3 H 1.74 0.02 1 1445 . 136 LYS CD C 29.1 0.5 1 1446 . 136 LYS HD2 H 1.87 0.02 1 1447 . 136 LYS HD3 H 1.87 0.02 1 1448 . 136 LYS CE C 42.3 0.5 1 1449 . 136 LYS HE2 H 3.06 0.02 1 1450 . 136 LYS HE3 H 3.06 0.02 1 1451 . 137 LEU N N 122.2 0.5 1 1452 . 137 LEU H H 9.23 0.02 1 1453 . 137 LEU CA C 58.0 0.5 1 1454 . 137 LEU HA H 3.55 0.02 1 1455 . 137 LEU CB C 39.6 0.5 1 1456 . 137 LEU HB2 H 0.72 0.02 1 1457 . 137 LEU HB3 H 1.90 0.02 1 1458 . 137 LEU CG C 25.9 0.5 1 1459 . 137 LEU HG H 0.48 0.02 1 1460 . 137 LEU HD1 H -1.10 0.02 2 1461 . 137 LEU HD2 H -0.87 0.02 2 1462 . 137 LEU CD1 C 20.4 0.5 2 1463 . 137 LEU CD2 C 25.3 0.5 2 1464 . 138 LYS N N 115.9 0.5 1 1465 . 138 LYS H H 6.69 0.02 1 1466 . 138 LYS CA C 60.0 0.5 1 1467 . 138 LYS HA H 3.34 0.02 1 1468 . 138 LYS CB C 33.8 0.5 1 1469 . 138 LYS HB2 H 1.60 0.02 2 1470 . 138 LYS HB3 H 1.87 0.02 2 1471 . 138 LYS CG C 24.9 0.5 1 1472 . 138 LYS HG2 H 1.31 0.02 1 1473 . 138 LYS HG3 H 1.45 0.02 1 1474 . 138 LYS CD C 30.1 0.5 1 1475 . 138 LYS HD2 H 1.84 0.02 1 1476 . 138 LYS HD3 H 1.84 0.02 1 1477 . 138 LYS CE C 42.4 0.5 1 1478 . 138 LYS HE2 H 3.12 0.02 2 1479 . 138 LYS HE3 H 3.16 0.02 2 1480 . 139 LYS N N 114.7 0.5 1 1481 . 139 LYS H H 7.04 0.02 1 1482 . 139 LYS CA C 59.1 0.5 1 1483 . 139 LYS HA H 3.96 0.02 1 1484 . 139 LYS CB C 32.2 0.5 1 1485 . 139 LYS HB2 H 1.87 0.02 1 1486 . 139 LYS HB3 H 1.93 0.02 1 1487 . 139 LYS CG C 25.5 0.5 1 1488 . 139 LYS HG2 H 1.40 0.02 2 1489 . 139 LYS HG3 H 1.54 0.02 2 1490 . 139 LYS CD C 29.3 0.5 1 1491 . 139 LYS HD2 H 1.70 0.02 1 1492 . 139 LYS HD3 H 1.70 0.02 1 1493 . 139 LYS CE C 42.2 0.5 1 1494 . 139 LYS HE2 H 3.00 0.02 1 1495 . 139 LYS HE3 H 3.00 0.02 1 1496 . 140 VAL N N 118.0 0.5 1 1497 . 140 VAL H H 7.45 0.02 1 1498 . 140 VAL CA C 65.8 0.5 1 1499 . 140 VAL HA H 3.71 0.02 1 1500 . 140 VAL CB C 32.0 0.5 1 1501 . 140 VAL HB H 1.98 0.02 1 1502 . 140 VAL HG1 H 0.88 0.02 1 1503 . 140 VAL HG2 H 1.06 0.02 1 1504 . 140 VAL CG1 C 22.0 0.5 1 1505 . 140 VAL CG2 C 22.3 0.5 1 1506 . 141 VAL N N 116.3 0.5 1 1507 . 141 VAL H H 7.99 0.02 1 1508 . 141 VAL CA C 65.3 0.5 1 1509 . 141 VAL HA H 3.41 0.02 1 1510 . 141 VAL CB C 31.1 0.5 1 1511 . 141 VAL HB H 1.30 0.02 1 1512 . 141 VAL HG1 H -0.01 0.02 1 1513 . 141 VAL HG2 H 0.23 0.02 1 1514 . 141 VAL CG1 C 21.2 0.5 1 1515 . 141 VAL CG2 C 22.9 0.5 1 1516 . 142 GLU N N 116.8 0.5 1 1517 . 142 GLU H H 7.96 0.02 1 1518 . 142 GLU CA C 57.8 0.5 1 1519 . 142 GLU HA H 4.10 0.02 1 1520 . 142 GLU CB C 29.4 0.5 1 1521 . 142 GLU HB2 H 1.99 0.02 1 1522 . 142 GLU HB3 H 2.07 0.02 1 1523 . 142 GLU CG C 37.9 0.5 1 1524 . 142 GLU HG2 H 2.48 0.02 1 1525 . 142 GLU HG3 H 2.48 0.02 1 1526 . 143 GLY N N 107.1 0.5 1 1527 . 143 GLY H H 7.51 0.02 1 1528 . 143 GLY CA C 45.9 0.5 1 1529 . 143 GLY HA2 H 4.01 0.02 2 1530 . 143 GLY HA3 H 3.86 0.02 2 stop_ save_