data_5657 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure for VT212 ; _BMRB_accession_number 5657 _BMRB_flat_file_name bmr5657.str _Entry_type original _Submission_date 2003-01-13 _Accession_date 2003-01-13 _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 Shen Yang . . 2 Liu Gaohua . . 3 Bhaskaran R. . . 4 Yee Adelinda . . 5 Arrowsmith Cheryl . . 6 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" 682 "13C chemical shifts" 390 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-06 original author . stop_ _Original_release_date 2006-04-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure for VT212' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shen Yang . . 2 Liu Gaohua . . 3 Bhaskaran R. . . 4 Yee Adelinda . . 5 Arrowsmith Cheryl . . 6 Szyperski Thomas . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_mth _Saveframe_category molecular_system _Mol_system_name 'Methanobacterium thermoautotrophicum' _Abbreviation_common mth0916 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mth0916 $mth0916 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_mth0916 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Methanobacterium thermoautotrophicum' _Abbreviation_common mth _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; MRERGWSQKKIARELKTTRQ NVSAIERKAMENIEKSRNTL DFVKSLKSPVRILCRRGDTL DEIIKRLLEESNKEGIHVIH DSITLAFLIREKASHRIVHR VVKSDFEIGVTRDGEIIVDL NS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLU 4 ARG 5 GLY 6 TRP 7 SER 8 GLN 9 LYS 10 LYS 11 ILE 12 ALA 13 ARG 14 GLU 15 LEU 16 LYS 17 THR 18 THR 19 ARG 20 GLN 21 ASN 22 VAL 23 SER 24 ALA 25 ILE 26 GLU 27 ARG 28 LYS 29 ALA 30 MET 31 GLU 32 ASN 33 ILE 34 GLU 35 LYS 36 SER 37 ARG 38 ASN 39 THR 40 LEU 41 ASP 42 PHE 43 VAL 44 LYS 45 SER 46 LEU 47 LYS 48 SER 49 PRO 50 VAL 51 ARG 52 ILE 53 LEU 54 CYS 55 ARG 56 ARG 57 GLY 58 ASP 59 THR 60 LEU 61 ASP 62 GLU 63 ILE 64 ILE 65 LYS 66 ARG 67 LEU 68 LEU 69 GLU 70 GLU 71 SER 72 ASN 73 LYS 74 GLU 75 GLY 76 ILE 77 HIS 78 VAL 79 ILE 80 HIS 81 ASP 82 SER 83 ILE 84 THR 85 LEU 86 ALA 87 PHE 88 LEU 89 ILE 90 ARG 91 GLU 92 LYS 93 ALA 94 SER 95 HIS 96 ARG 97 ILE 98 VAL 99 HIS 100 ARG 101 VAL 102 VAL 103 LYS 104 SER 105 ASP 106 PHE 107 GLU 108 ILE 109 GLY 110 VAL 111 THR 112 ARG 113 ASP 114 GLY 115 GLU 116 ILE 117 ILE 118 VAL 119 ASP 120 LEU 121 ASN 122 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1NR3 "Solution Structure Of The Protein Mth0916: The Northeast Structural Genomics Consortium Target Tt212" 99.18 122 100.00 100.00 1.41e-78 DBJ BAM70081 "conserved hypothetical protein [Methanothermobacter thermautotrophicus CaT2]" 100.00 122 99.18 99.18 1.75e-78 EMBL CAA08778 "Tfx protein [Methanothermobacter thermautotrophicus]" 100.00 138 99.18 99.18 6.51e-79 GB AAB85414 "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 122 100.00 100.00 1.39e-79 GB ADL58892 "DNA-binding protein [Methanothermobacter marburgensis str. Marburg]" 100.00 122 99.18 99.18 1.75e-78 REF NP_276053 "transcriptional regulator [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 122 100.00 100.00 1.39e-79 REF WP_010876549 "DNA-binding protein [Methanothermobacter thermautotrophicus]" 100.00 122 100.00 100.00 1.39e-79 REF WP_013296114 "DNA-binding protein [Methanothermobacter marburgensis]" 100.00 122 99.18 99.18 1.75e-78 REF YP_003850205 "DNA-binding protein [Methanothermobacter marburgensis str. Marburg]" 100.00 122 99.18 99.18 1.75e-78 SP O27001 "RecName: Full=DNA-binding protein Tfx [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 138 100.00 100.00 6.44e-80 SP P56811 "RecName: Full=DNA-binding protein Tfx [Methanothermobacter marburgensis str. Marburg]" 100.00 138 99.18 99.18 6.51e-79 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mth0916 'Methanothermobacter thermautotrophicus' 145262 Archaea . Methanothermobacter thermautotrophicus 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 $mth0916 '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 $mth0916 1 mM '[U-13C; U-15N]' NaCl 450 mM . DTT 10 mM . ZnCl2 20 mM . Azide 0.01 % . 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 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 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_mth0916_shift _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name mth0916 _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 ARG N N 121.5 0.02 1 2 . 2 ARG H H 8.40 0.01 1 3 . 2 ARG CA C 56.4 0.02 1 4 . 2 ARG HA H 4.68 0.01 1 5 . 2 ARG CB C 30.0 0.02 1 6 . 2 ARG HB2 H 2.08 0.01 2 7 . 3 GLU N N 120.7 0.02 1 8 . 3 GLU H H 8.18 0.01 1 9 . 3 GLU CA C 55.8 0.02 1 10 . 3 GLU HA H 4.40 0.01 1 11 . 3 GLU CB C 32.5 0.02 1 12 . 3 GLU HB2 H 2.01 0.01 2 13 . 3 GLU HB3 H 2.08 0.01 2 14 . 3 GLU CG C 36.0 0.02 1 15 . 3 GLU HG2 H 2.43 0.01 2 16 . 3 GLU HG3 H 2.54 0.01 2 17 . 4 ARG N N 121.5 0.02 1 18 . 4 ARG H H 8.33 0.01 1 19 . 4 ARG CA C 56.4 0.02 1 20 . 4 ARG HA H 4.38 0.01 1 21 . 4 ARG CB C 30.8 0.02 1 22 . 4 ARG HB2 H 1.92 0.01 2 23 . 4 ARG CG C 27.1 0.02 1 24 . 4 ARG HG2 H 1.73 0.01 2 25 . 5 GLY N N 110.0 0.02 1 26 . 5 GLY H H 8.50 0.01 1 27 . 5 GLY CA C 45.4 0.02 1 28 . 5 GLY HA2 H 4.35 0.01 2 29 . 5 GLY HA3 H 4.02 0.01 2 30 . 6 TRP N N 121.1 0.02 1 31 . 6 TRP H H 8.02 0.01 1 32 . 6 TRP CA C 57.8 0.02 1 33 . 6 TRP HA H 4.67 0.01 1 34 . 6 TRP CB C 29.6 0.02 1 35 . 6 TRP HB2 H 3.36 0.01 2 36 . 6 TRP CD1 C 126.9 0.02 1 37 . 6 TRP CE3 C 121.2 0.02 1 38 . 6 TRP NE1 N 129.4 0.02 1 39 . 6 TRP HD1 H 7.31 0.01 1 40 . 6 TRP HE3 H 7.57 0.01 1 41 . 6 TRP CZ3 C 122.5 0.02 1 42 . 6 TRP CZ2 C 114.7 0.02 1 43 . 6 TRP HE1 H 10.17 0.01 1 44 . 6 TRP HZ3 H 7.17 0.01 1 45 . 6 TRP CH2 C 121.7 0.02 1 46 . 6 TRP HZ2 H 7.51 0.01 1 47 . 6 TRP HH2 H 7.25 0.01 1 48 . 7 SER N N 116.8 0.02 1 49 . 7 SER H H 8.06 0.01 1 50 . 7 SER CA C 58.3 0.02 1 51 . 7 SER HA H 4.33 0.01 1 52 . 7 SER CB C 63.6 0.02 1 53 . 7 SER HB2 H 3.72 0.01 2 54 . 7 SER HB3 H 3.85 0.01 2 55 . 8 GLN N N 121.8 0.02 1 56 . 8 GLN H H 8.23 0.01 1 57 . 8 GLN CA C 56.3 0.02 1 58 . 8 GLN HA H 4.26 0.01 1 59 . 8 GLN CB C 29.2 0.02 1 60 . 8 GLN HB2 H 2.15 0.01 2 61 . 8 GLN HB3 H 2.04 0.01 2 62 . 8 GLN CG C 33.7 0.02 1 63 . 8 GLN HG2 H 2.42 0.01 1 64 . 8 GLN HG3 H 2.42 0.01 1 65 . 9 LYS N N 121.8 0.02 1 66 . 9 LYS H H 8.17 0.01 1 67 . 9 LYS CA C 57.0 0.02 1 68 . 9 LYS HA H 4.24 0.01 1 69 . 9 LYS CB C 32.9 0.02 1 70 . 9 LYS HB2 H 1.79 0.01 1 71 . 9 LYS HB3 H 1.79 0.01 1 72 . 9 LYS CG C 24.9 0.02 1 73 . 9 LYS HG2 H 1.51 0.01 1 74 . 9 LYS HG3 H 1.51 0.01 1 75 . 10 LYS N N 122.6 0.02 1 76 . 10 LYS H H 8.22 0.01 1 77 . 10 LYS CA C 56.6 0.02 1 78 . 10 LYS HA H 4.30 0.01 1 79 . 10 LYS CB C 32.8 0.02 1 80 . 10 LYS HB2 H 1.88 0.01 2 81 . 10 LYS HB3 H 1.79 0.01 2 82 . 10 LYS CG C 24.8 0.02 1 83 . 10 LYS HG2 H 1.48 0.01 1 84 . 10 LYS HG3 H 1.48 0.01 1 85 . 10 LYS CD C 29.0 0.02 1 86 . 10 LYS HD2 H 1.70 0.01 1 87 . 10 LYS HD3 H 1.70 0.01 1 88 . 11 ILE N N 121.9 0.02 1 89 . 11 ILE H H 8.11 0.01 1 90 . 11 ILE CA C 61.3 0.02 1 91 . 11 ILE HA H 4.18 0.01 1 92 . 11 ILE CB C 38.6 0.02 1 93 . 11 ILE HB H 1.91 0.01 1 94 . 11 ILE HG2 H 0.97 0.01 1 95 . 11 ILE CG2 C 17.7 0.02 1 96 . 11 ILE CG1 C 27.8 0.02 1 97 . 11 ILE HG12 H 1.26 0.01 2 98 . 11 ILE HG13 H 1.57 0.01 2 99 . 11 ILE HD1 H 0.93 0.01 1 100 . 11 ILE CD1 C 12.9 0.02 1 101 . 12 ALA N N 127.3 0.02 1 102 . 12 ALA H H 8.30 0.01 1 103 . 12 ALA CA C 52.8 0.02 1 104 . 12 ALA HA H 4.35 0.01 1 105 . 12 ALA HB H 1.48 0.01 1 106 . 12 ALA CB C 19.0 0.02 1 107 . 13 ARG N N 120.0 0.02 1 108 . 13 ARG H H 8.21 0.01 1 109 . 13 ARG CA C 56.4 0.02 1 110 . 13 ARG HA H 4.32 0.01 1 111 . 13 ARG CB C 30.8 0.02 1 112 . 13 ARG HB2 H 1.88 0.01 1 113 . 13 ARG HB3 H 1.88 0.01 1 114 . 13 ARG CG C 27.1 0.02 1 115 . 13 ARG HG2 H 1.70 0.01 1 116 . 13 ARG HG3 H 1.70 0.01 1 117 . 13 ARG CD C 43.0 0.02 1 118 . 13 ARG HD2 H 3.12 0.01 1 119 . 13 ARG HD3 H 3.12 0.01 1 120 . 14 GLU N N 121.5 0.02 1 121 . 14 GLU H H 8.43 0.01 1 122 . 14 GLU CA C 56.9 0.02 1 123 . 14 GLU HA H 4.33 0.01 1 124 . 14 GLU CB C 30.1 0.02 1 125 . 14 GLU HB2 H 1.91 0.01 1 126 . 14 GLU HB3 H 2.06 0.01 1 127 . 14 GLU CG C 36.0 0.02 1 128 . 14 GLU HG2 H 2.35 0.01 1 129 . 14 GLU HG3 H 2.35 0.01 1 130 . 15 LEU N N 123.3 0.02 1 131 . 15 LEU H H 8.26 0.01 1 132 . 15 LEU CA C 55.3 0.02 1 133 . 15 LEU HA H 4.40 0.01 1 134 . 15 LEU CB C 42.2 0.02 1 135 . 15 LEU HB2 H 1.66 0.01 2 136 . 15 LEU HB3 H 1.74 0.01 2 137 . 15 LEU CG C 26.8 0.02 1 138 . 15 LEU HG H 1.72 0.01 1 139 . 15 LEU HD1 H 0.97 0.01 2 140 . 15 LEU HD2 H 0.93 0.01 2 141 . 15 LEU CD1 C 24.9 0.02 1 142 . 15 LEU CD2 C 23.3 0.02 1 143 . 16 LYS N N 120.8 0.02 1 144 . 16 LYS H H 8.23 0.01 1 145 . 16 LYS CA C 56.3 0.02 1 146 . 16 LYS HA H 4.45 0.01 1 147 . 16 LYS CB C 32.9 0.02 1 148 . 16 LYS HB2 H 1.95 0.01 2 149 . 16 LYS HB3 H 1.87 0.01 2 150 . 16 LYS CG C 24.9 0.02 1 151 . 16 LYS HG2 H 1.48 0.01 2 152 . 16 LYS HG3 H 1.55 0.01 2 153 . 16 LYS CD C 29.0 0.02 1 154 . 16 LYS HD2 H 1.75 0.01 1 155 . 16 LYS HD3 H 1.75 0.01 1 156 . 17 THR N N 114.7 0.02 1 157 . 17 THR H H 8.15 0.01 1 158 . 17 THR CA C 61.8 0.02 1 159 . 17 THR HA H 4.48 0.01 1 160 . 17 THR CB C 69.7 0.02 1 161 . 17 THR HB H 4.35 0.01 1 162 . 17 THR HG2 H 1.30 0.01 1 163 . 17 THR CG2 C 21.5 0.02 1 164 . 18 THR N N 116.1 0.02 1 165 . 18 THR H H 8.18 0.01 1 166 . 18 THR CA C 61.9 0.02 1 167 . 18 THR HA H 4.43 0.01 1 168 . 18 THR CB C 69.7 0.02 1 169 . 18 THR HB H 4.32 0.01 1 170 . 18 THR HG2 H 1.28 0.01 1 171 . 18 THR CG2 C 21.5 0.02 1 172 . 19 ARG N N 123.3 0.02 1 173 . 19 ARG H H 8.37 0.01 1 174 . 19 ARG CA C 56.3 0.02 1 175 . 19 ARG HA H 4.41 0.01 1 176 . 19 ARG CB C 30.7 0.02 1 177 . 19 ARG HB2 H 1.96 0.01 2 178 . 19 ARG HB3 H 1.87 0.01 2 179 . 19 ARG CG C 27.1 0.02 1 180 . 19 ARG HG2 H 1.73 0.01 2 181 . 19 ARG CD C 43.5 0.02 1 182 . 19 ARG HD2 H 3.26 0.01 1 183 . 19 ARG HD3 H 3.26 0.01 1 184 . 20 GLN N N 121.1 0.02 1 185 . 20 GLN H H 8.43 0.01 1 186 . 20 GLN CA C 56.0 0.02 1 187 . 20 GLN HA H 4.39 0.01 1 188 . 20 GLN CB C 29.2 0.02 1 189 . 20 GLN HB2 H 2.16 0.01 2 190 . 20 GLN HB3 H 2.05 0.01 2 191 . 20 GLN CG C 33.7 0.02 1 192 . 20 GLN HG2 H 2.43 0.01 1 193 . 20 GLN HG3 H 2.43 0.01 1 194 . 21 ASN N N 120.0 0.02 1 195 . 21 ASN H H 8.52 0.01 1 196 . 21 ASN CA C 53.2 0.02 1 197 . 21 ASN HA H 4.81 0.01 1 198 . 21 ASN CB C 38.7 0.02 1 199 . 21 ASN HB2 H 2.96 0.01 2 200 . 21 ASN HB3 H 2.84 0.01 2 201 . 22 VAL N N 120.1 0.02 1 202 . 22 VAL H H 8.10 0.01 1 203 . 22 VAL CA C 62.3 0.02 1 204 . 22 VAL HA H 4.21 0.01 1 205 . 22 VAL CB C 32.8 0.02 1 206 . 22 VAL HB H 2.18 0.01 1 207 . 22 VAL HG1 H 1.02 0.01 2 208 . 22 VAL HG2 H 1.00 0.01 2 209 . 22 VAL CG1 C 21.2 0.02 1 210 . 22 VAL CG2 C 20.3 0.02 1 211 . 23 SER N N 119.5 0.02 1 212 . 23 SER H H 8.50 0.01 1 213 . 23 SER CA C 58.5 0.02 1 214 . 23 SER HA H 4.51 0.01 1 215 . 23 SER CB C 63.9 0.02 1 216 . 23 SER HB2 H 3.98 0.01 2 217 . 23 SER HB3 H 4.05 0.01 2 218 . 24 ALA N N 125.4 0.02 1 219 . 24 ALA H H 8.43 0.01 1 220 . 24 ALA CA C 53.5 0.02 1 221 . 24 ALA HA H 4.32 0.01 1 222 . 24 ALA HB H 1.50 0.01 1 223 . 24 ALA CB C 19.0 0.02 1 224 . 25 ILE N N 118.6 0.02 1 225 . 25 ILE H H 7.98 0.01 1 226 . 25 ILE CA C 62.1 0.02 1 227 . 25 ILE HA H 4.08 0.01 1 228 . 25 ILE CB C 38.6 0.02 1 229 . 25 ILE HB H 1.92 0.01 1 230 . 25 ILE HG2 H 0.99 0.01 1 231 . 25 ILE CG2 C 17.6 0.02 1 232 . 25 ILE CG1 C 27.7 0.02 1 233 . 25 ILE HG12 H 1.27 0.01 1 234 . 25 ILE HG13 H 1.58 0.01 1 235 . 25 ILE HD1 H 0.94 0.01 1 236 . 25 ILE CD1 C 16.3 0.02 1 237 . 26 GLU N N 124.0 0.02 1 238 . 26 GLU H H 8.20 0.01 1 239 . 26 GLU CA C 57.3 0.02 1 240 . 26 GLU HA H 4.28 0.01 1 241 . 26 GLU CB C 30.0 0.02 1 242 . 26 GLU HB2 H 2.12 0.01 2 243 . 26 GLU HB3 H 2.05 0.01 2 244 . 26 GLU CG C 36.5 0.02 1 245 . 26 GLU HG2 H 2.36 0.01 2 246 . 26 GLU HG3 H 2.31 0.01 2 247 . 27 ARG N N 121.8 0.02 1 248 . 27 ARG H H 8.35 0.01 1 249 . 27 ARG CA C 57.1 0.02 1 250 . 27 ARG HA H 4.28 0.01 1 251 . 27 ARG CB C 30.5 0.02 1 252 . 27 ARG HB2 H 1.89 0.01 2 253 . 27 ARG HB3 H 2.09 0.01 2 254 . 27 ARG CG C 27.1 0.02 1 255 . 27 ARG HG2 H 1.73 0.01 2 256 . 27 ARG HG3 H 1.65 0.01 2 257 . 27 ARG HD2 H 3.28 0.01 1 258 . 27 ARG HD3 H 3.28 0.01 1 259 . 28 LYS N N 121.5 0.02 1 260 . 28 LYS H H 8.23 0.01 1 261 . 28 LYS CA C 56.9 0.02 1 262 . 28 LYS HA H 4.31 0.01 1 263 . 28 LYS CB C 32.6 0.02 1 264 . 28 LYS HB2 H 1.94 0.01 1 265 . 28 LYS HB3 H 1.94 0.01 1 266 . 28 LYS CG C 24.9 0.02 1 267 . 28 LYS HG2 H 1.48 0.01 2 268 . 28 LYS HG3 H 1.54 0.01 2 269 . 28 LYS CD C 28.5 0.02 1 270 . 28 LYS HD2 H 1.76 0.01 1 271 . 28 LYS HD3 H 1.76 0.01 1 272 . 29 ALA N N 123.7 0.02 1 273 . 29 ALA H H 8.13 0.01 1 274 . 29 ALA CA C 53.2 0.02 1 275 . 29 ALA HA H 4.34 0.01 1 276 . 29 ALA HB H 1.51 0.01 1 277 . 29 ALA CB C 18.8 0.02 1 278 . 30 MET N N 118.2 0.02 1 279 . 30 MET H H 8.19 0.01 1 280 . 30 MET CA C 56.1 0.02 1 281 . 30 MET HA H 4.45 0.01 1 282 . 30 MET CB C 32.8 0.02 1 283 . 30 MET HB2 H 2.18 0.01 2 284 . 30 MET HB3 H 2.14 0.01 2 285 . 30 MET CG C 31.8 0.02 1 286 . 30 MET HG2 H 2.64 0.01 2 287 . 30 MET HG3 H 2.73 0.01 2 288 . 31 GLU N N 120.7 0.02 1 289 . 31 GLU H H 8.28 0.01 1 290 . 31 GLU CA C 57.2 0.02 1 291 . 31 GLU HA H 4.29 0.01 1 292 . 31 GLU CB C 30.3 0.02 1 293 . 31 GLU HB2 H 2.05 0.01 1 294 . 31 GLU HB3 H 2.11 0.01 1 295 . 31 GLU CG C 35.5 0.02 1 296 . 31 GLU HG2 H 2.32 0.01 2 297 . 31 GLU HG3 H 2.40 0.01 2 298 . 32 ASN N N 119.0 0.02 1 299 . 32 ASN H H 8.37 0.01 1 300 . 32 ASN CA C 53.7 0.02 1 301 . 32 ASN HA H 4.79 0.01 1 302 . 32 ASN CB C 38.8 0.02 1 303 . 32 ASN HB2 H 2.87 0.01 1 304 . 32 ASN HB3 H 2.93 0.01 1 305 . 33 ILE N N 121.2 0.02 1 306 . 33 ILE H H 8.02 0.01 1 307 . 33 ILE CA C 61.8 0.02 1 308 . 33 ILE HA H 4.15 0.01 1 309 . 33 ILE CB C 38.6 0.02 1 310 . 33 ILE HB H 1.99 0.01 1 311 . 33 ILE HG2 H 0.98 0.01 1 312 . 33 ILE CG2 C 17.5 0.02 1 313 . 33 ILE CG1 C 27.6 0.02 1 314 . 33 ILE HG12 H 1.28 0.01 2 315 . 33 ILE HG13 H 1.55 0.01 2 316 . 33 ILE HD1 H 0.93 0.01 1 317 . 33 ILE CD1 C 12.9 0.02 1 318 . 34 GLU N N 124.0 0.02 1 319 . 34 GLU H H 8.44 0.01 1 320 . 34 GLU CA C 56.6 0.02 1 321 . 34 GLU HA H 4.29 0.01 1 322 . 34 GLU CB C 30.0 0.02 1 323 . 34 GLU HB2 H 2.12 0.01 2 324 . 34 GLU CG C 34.1 0.02 1 325 . 34 GLU HG2 H 2.43 0.01 1 326 . 34 GLU HG3 H 2.43 0.01 1 327 . 35 LYS N N 122.0 0.02 1 328 . 35 LYS H H 8.26 0.01 1 329 . 35 LYS CA C 56.9 0.02 1 330 . 35 LYS HA H 4.29 0.01 1 331 . 35 LYS CB C 32.9 0.02 1 332 . 35 LYS HB2 H 1.87 0.01 2 333 . 35 LYS HB3 H 1.95 0.01 2 334 . 35 LYS CG C 24.9 0.02 1 335 . 35 LYS HG2 H 1.47 0.01 2 336 . 35 LYS HG3 H 1.54 0.01 2 337 . 35 LYS CD C 29.0 0.02 1 338 . 35 LYS HD2 H 1.74 0.01 1 339 . 35 LYS HD3 H 1.74 0.01 1 340 . 36 SER N N 116.1 0.02 1 341 . 36 SER H H 8.21 0.01 1 342 . 36 SER CA C 58.6 0.02 1 343 . 36 SER HA H 4.47 0.01 1 344 . 36 SER CB C 63.7 0.02 1 345 . 36 SER HB2 H 3.95 0.01 1 346 . 36 SER HB3 H 3.95 0.01 1 347 . 37 ARG N N 122.5 0.02 1 348 . 37 ARG H H 8.27 0.01 1 349 . 37 ARG CA C 56.4 0.02 1 350 . 37 ARG HA H 4.39 0.01 1 351 . 37 ARG CB C 30.8 0.02 1 352 . 37 ARG HB2 H 1.86 0.01 1 353 . 37 ARG HB3 H 1.86 0.01 1 354 . 37 ARG CG C 27.1 0.02 1 355 . 37 ARG HG2 H 1.75 0.01 2 356 . 37 ARG HG3 H 1.69 0.01 2 357 . 37 ARG CD C 43.0 0.02 1 358 . 37 ARG HD2 H 3.28 0.01 1 359 . 37 ARG HD3 H 3.28 0.01 1 360 . 38 ASN N N 119.3 0.02 1 361 . 38 ASN H H 8.43 0.01 1 362 . 38 ASN CA C 53.3 0.02 1 363 . 38 ASN HA H 4.84 0.01 1 364 . 38 ASN CB C 38.8 0.02 1 365 . 38 ASN HB2 H 2.94 0.01 2 366 . 38 ASN HB3 H 2.87 0.01 2 367 . 39 THR N N 114.3 0.02 1 368 . 39 THR H H 8.11 0.01 1 369 . 39 THR CA C 62.2 0.02 1 370 . 39 THR HA H 4.36 0.01 1 371 . 39 THR HB H 4.35 0.01 1 372 . 39 THR HG2 H 1.28 0.01 1 373 . 39 THR CG2 C 21.9 0.02 1 374 . 40 LEU N N 123.3 0.02 1 375 . 40 LEU H H 8.26 0.01 1 376 . 40 LEU CA C 55.6 0.02 1 377 . 40 LEU HA H 4.36 0.01 1 378 . 40 LEU CB C 42.1 0.02 1 379 . 40 LEU HB2 H 1.72 0.01 2 380 . 40 LEU HB3 H 1.62 0.01 2 381 . 40 LEU CG C 27.0 0.02 1 382 . 40 LEU HG H 1.70 0.01 1 383 . 40 LEU HD1 H 0.95 0.01 2 384 . 40 LEU HD2 H 0.91 0.01 2 385 . 40 LEU CD1 C 24.9 0.02 1 386 . 40 LEU CD2 C 23.4 0.02 1 387 . 41 ASP N N 120.1 0.02 1 388 . 41 ASP H H 8.19 0.01 1 389 . 41 ASP CA C 54.7 0.02 1 390 . 41 ASP HA H 4.57 0.01 1 391 . 41 ASP CB C 41.1 0.02 1 392 . 41 ASP HB2 H 2.60 0.01 1 393 . 41 ASP HB3 H 2.66 0.01 1 394 . 42 PHE N N 120.0 0.02 1 395 . 42 PHE H H 8.04 0.01 1 396 . 42 PHE CA C 58.3 0.02 1 397 . 42 PHE HA H 4.60 0.01 1 398 . 42 PHE CB C 39.5 0.02 1 399 . 42 PHE HB2 H 3.20 0.01 1 400 . 42 PHE HB3 H 3.16 0.01 1 401 . 42 PHE HD1 H 7.27 0.01 1 402 . 42 PHE HD2 H 7.27 0.01 1 403 . 42 PHE HE1 H 7.36 0.01 1 404 . 42 PHE HE2 H 7.36 0.01 1 405 . 42 PHE HZ H 7.14 0.01 1 406 . 43 VAL N N 121.5 0.02 1 407 . 43 VAL H H 8.01 0.01 1 408 . 43 VAL CA C 63.1 0.02 1 409 . 43 VAL HA H 3.98 0.01 1 410 . 43 VAL CB C 32.5 0.02 1 411 . 43 VAL HB H 2.12 0.01 1 412 . 43 VAL HG1 H 1.01 0.01 1 413 . 43 VAL HG2 H 0.99 0.01 1 414 . 43 VAL CG1 C 21.4 0.02 1 415 . 43 VAL CG2 C 21.0 0.02 1 416 . 44 LYS N N 123.6 0.02 1 417 . 44 LYS H H 8.27 0.01 1 418 . 44 LYS CA C 56.9 0.02 1 419 . 44 LYS HA H 4.27 0.01 1 420 . 44 LYS CB C 32.9 0.02 1 421 . 44 LYS HB2 H 1.86 0.01 2 422 . 44 LYS HB3 H 1.94 0.01 2 423 . 44 LYS CG C 24.9 0.02 1 424 . 44 LYS HG2 H 1.49 0.01 2 425 . 44 LYS HG3 H 1.59 0.01 2 426 . 44 LYS CD C 29.0 0.02 1 427 . 44 LYS HD2 H 1.73 0.01 1 428 . 44 LYS HD3 H 1.73 0.01 1 429 . 45 SER N N 116.1 0.02 1 430 . 45 SER H H 8.23 0.01 1 431 . 45 SER CA C 58.6 0.02 1 432 . 45 SER HA H 4.45 0.01 1 433 . 45 SER CB C 63.6 0.02 1 434 . 45 SER HB2 H 3.92 0.01 1 435 . 45 SER HB3 H 3.92 0.01 1 436 . 46 LEU N N 123.6 0.02 1 437 . 46 LEU H H 8.14 0.01 1 438 . 46 LEU CA C 55.3 0.02 1 439 . 46 LEU HA H 4.41 0.01 1 440 . 46 LEU CB C 42.3 0.02 1 441 . 46 LEU HB2 H 1.67 0.01 2 442 . 46 LEU HB3 H 1.76 0.01 2 443 . 46 LEU CG C 26.9 0.02 1 444 . 46 LEU HG H 1.72 0.01 1 445 . 46 LEU HD1 H 0.88 0.01 2 446 . 46 LEU HD2 H 0.94 0.01 2 447 . 46 LEU CD2 C 23.5 0.02 1 448 . 47 LYS N N 121.8 0.02 1 449 . 47 LYS H H 8.31 0.01 1 450 . 47 LYS CA C 56.5 0.02 1 451 . 47 LYS HA H 4.38 0.01 1 452 . 47 LYS CB C 32.9 0.02 1 453 . 47 LYS HB2 H 1.91 0.01 1 454 . 47 LYS HB3 H 1.91 0.01 1 455 . 48 SER N N 116.4 0.02 1 456 . 48 SER H H 8.28 0.01 1 457 . 49 PRO CD C 46.3 0.02 1 458 . 49 PRO CA C 63.4 0.02 1 459 . 49 PRO HA H 4.49 0.01 1 460 . 49 PRO CB C 31.8 0.02 1 461 . 49 PRO HB2 H 2.35 0.01 2 462 . 49 PRO HB3 H 1.87 0.01 2 463 . 49 PRO CG C 27.3 0.02 1 464 . 49 PRO HG2 H 2.01 0.01 2 465 . 49 PRO HG3 H 2.09 0.01 2 466 . 49 PRO HD2 H 3.69 0.01 2 467 . 49 PRO HD3 H 3.90 0.01 2 468 . 50 VAL N N 117.9 0.02 1 469 . 50 VAL H H 7.43 0.01 1 470 . 50 VAL CA C 61.5 0.02 1 471 . 50 VAL HA H 4.21 0.01 1 472 . 50 VAL CB C 33.8 0.02 1 473 . 50 VAL HB H 1.97 0.01 1 474 . 50 VAL HG1 H 0.90 0.01 1 475 . 50 VAL HG2 H 0.87 0.01 1 476 . 50 VAL CG1 C 22.0 0.02 1 477 . 50 VAL CG2 C 21.0 0.02 1 478 . 51 ARG N N 127.9 0.02 1 479 . 51 ARG H H 8.64 0.01 1 480 . 51 ARG CA C 55.1 0.02 1 481 . 51 ARG HA H 5.08 0.01 1 482 . 51 ARG CB C 32.8 0.02 1 483 . 51 ARG HB2 H 1.68 0.01 2 484 . 51 ARG HB3 H 1.78 0.01 2 485 . 51 ARG CG C 26.8 0.02 1 486 . 51 ARG HG2 H 1.54 0.01 2 487 . 51 ARG HG3 H 1.46 0.01 2 488 . 51 ARG CD C 43.5 0.02 1 489 . 51 ARG HD2 H 3.18 0.01 1 490 . 51 ARG HD3 H 3.18 0.01 1 491 . 52 ILE N N 123.6 0.02 1 492 . 52 ILE H H 9.43 0.01 1 493 . 52 ILE CA C 58.1 0.02 1 494 . 52 ILE HA H 4.44 0.01 1 495 . 52 ILE CB C 39.2 0.02 1 496 . 52 ILE HB H 1.93 0.01 1 497 . 52 ILE HG2 H 0.81 0.01 1 498 . 52 ILE CG2 C 17.5 0.02 1 499 . 52 ILE CG1 C 26.8 0.02 1 500 . 52 ILE HG12 H 1.29 0.01 2 501 . 52 ILE HG13 H 1.18 0.01 2 502 . 52 ILE HD1 H 0.72 0.01 1 503 . 52 ILE CD1 C 12.1 0.02 1 504 . 53 LEU N N 127.6 0.02 1 505 . 53 LEU H H 8.67 0.01 1 506 . 53 LEU CA C 55.0 0.02 1 507 . 53 LEU HA H 4.42 0.01 1 508 . 53 LEU CB C 41.4 0.02 1 509 . 53 LEU HB2 H 1.58 0.01 2 510 . 53 LEU HB3 H 1.63 0.01 2 511 . 53 LEU CG C 27.6 0.02 1 512 . 53 LEU HG H 1.49 0.01 1 513 . 53 LEU HD1 H 0.89 0.01 2 514 . 53 LEU HD2 H 0.86 0.01 2 515 . 53 LEU CD1 C 24.5 0.02 1 516 . 53 LEU CD2 C 23.6 0.02 1 517 . 54 CYS N N 126.9 0.02 1 518 . 54 CYS H H 8.68 0.01 1 519 . 54 CYS CA C 57.2 0.02 1 520 . 54 CYS HA H 4.28 0.01 1 521 . 54 CYS CB C 27.0 0.02 1 522 . 54 CYS HB2 H 1.80 0.01 1 523 . 54 CYS HB3 H 1.80 0.01 1 524 . 55 ARG N N 124.2 0.02 1 525 . 55 ARG H H 8.70 0.01 1 526 . 55 ARG CA C 53.8 0.02 1 527 . 55 ARG HA H 4.67 0.01 1 528 . 55 ARG CB C 32.6 0.02 1 529 . 55 ARG HB2 H 1.75 0.01 2 530 . 55 ARG HB3 H 1.69 0.01 2 531 . 55 ARG CG C 27.3 0.02 1 532 . 55 ARG HG2 H 1.65 0.01 2 533 . 55 ARG HG3 H 1.52 0.01 2 534 . 55 ARG CD C 43.0 0.02 1 535 . 55 ARG HD2 H 3.20 0.01 1 536 . 55 ARG HD3 H 3.20 0.01 1 537 . 56 ARG N N 120.0 0.02 1 538 . 56 ARG H H 8.27 0.01 1 539 . 56 ARG CA C 57.8 0.02 1 540 . 56 ARG HA H 3.67 0.01 1 541 . 56 ARG CB C 30.1 0.02 1 542 . 56 ARG HB2 H 1.68 0.01 2 543 . 56 ARG HB3 H 1.79 0.01 2 544 . 56 ARG CG C 27.0 0.02 1 545 . 56 ARG HG2 H 1.52 0.01 2 546 . 56 ARG HG3 H 1.76 0.01 2 547 . 56 ARG CD C 43.5 0.02 1 548 . 56 ARG HD2 H 3.33 0.01 1 549 . 56 ARG HD3 H 3.33 0.01 1 550 . 57 GLY N N 115.4 0.02 1 551 . 57 GLY H H 9.01 0.01 1 552 . 57 GLY CA C 44.8 0.02 1 553 . 57 GLY HA2 H 4.61 0.01 2 554 . 57 GLY HA3 H 3.51 0.01 2 555 . 58 ASP N N 123.3 0.02 1 556 . 58 ASP H H 8.81 0.01 1 557 . 58 ASP CA C 55.1 0.02 1 558 . 58 ASP HA H 4.77 0.01 1 559 . 58 ASP CB C 41.5 0.02 1 560 . 58 ASP HB2 H 2.86 0.01 2 561 . 58 ASP HB3 H 2.59 0.01 2 562 . 59 THR N N 110.1 0.02 1 563 . 59 THR H H 8.64 0.01 1 564 . 59 THR CA C 59.4 0.02 1 565 . 59 THR HA H 5.42 0.01 1 566 . 59 THR CB C 71.6 0.02 1 567 . 59 THR HB H 4.79 0.01 1 568 . 59 THR HG2 H 1.45 0.01 1 569 . 59 THR CG2 C 22.0 0.02 1 570 . 60 LEU N N 121.5 0.02 1 571 . 60 LEU H H 8.87 0.01 1 572 . 60 LEU CA C 57.5 0.02 1 573 . 60 LEU HA H 4.07 0.01 1 574 . 60 LEU CB C 42.8 0.02 1 575 . 60 LEU HB2 H 1.39 0.01 1 576 . 60 LEU HB3 H 1.89 0.01 1 577 . 60 LEU CG C 26.7 0.02 1 578 . 60 LEU HG H 1.75 0.01 1 579 . 60 LEU HD1 H 0.97 0.01 2 580 . 60 LEU HD2 H 1.00 0.01 2 581 . 60 LEU CD1 C 25.7 0.02 1 582 . 60 LEU CD2 C 24.0 0.02 1 583 . 61 ASP N N 114.7 0.02 1 584 . 61 ASP H H 8.27 0.01 1 585 . 61 ASP CA C 57.4 0.02 1 586 . 61 ASP HA H 4.35 0.01 1 587 . 61 ASP CB C 40.8 0.02 1 588 . 61 ASP HB2 H 2.63 0.01 2 589 . 61 ASP HB3 H 2.72 0.01 2 590 . 62 GLU N N 120.4 0.02 1 591 . 62 GLU H H 7.76 0.01 1 592 . 62 GLU CA C 59.1 0.02 1 593 . 62 GLU HA H 4.07 0.01 1 594 . 62 GLU CB C 29.6 0.02 1 595 . 62 GLU HB2 H 2.10 0.01 2 596 . 62 GLU HB3 H 2.41 0.01 2 597 . 62 GLU CG C 36.9 0.02 1 598 . 62 GLU HG2 H 2.43 0.01 1 599 . 62 GLU HG3 H 2.43 0.01 1 600 . 63 ILE N N 120.0 0.02 1 601 . 63 ILE H H 8.23 0.01 1 602 . 63 ILE CA C 65.2 0.02 1 603 . 63 ILE HA H 3.58 0.01 1 604 . 63 ILE CB C 37.9 0.02 1 605 . 63 ILE HB H 2.11 0.01 1 606 . 63 ILE HG2 H 0.88 0.01 1 607 . 63 ILE CG2 C 17.8 0.02 1 608 . 63 ILE CG1 C 28.2 0.02 1 609 . 63 ILE HG12 H 1.33 0.01 1 610 . 63 ILE HG13 H 1.33 0.01 1 611 . 63 ILE HD1 H 0.81 0.01 1 612 . 63 ILE CD1 C 14.0 0.02 1 613 . 64 ILE N N 119.7 0.02 1 614 . 64 ILE H H 8.14 0.01 1 615 . 64 ILE CA C 65.8 0.02 1 616 . 64 ILE HA H 3.50 0.01 1 617 . 64 ILE CB C 37.8 0.02 1 618 . 64 ILE HB H 1.96 0.01 1 619 . 64 ILE HG2 H 1.00 0.01 1 620 . 64 ILE CG2 C 17.2 0.02 1 621 . 64 ILE CG1 C 30.6 0.02 1 622 . 64 ILE HG12 H 1.83 0.01 1 623 . 64 ILE HG13 H 1.83 0.01 1 624 . 64 ILE HD1 H 0.92 0.01 1 625 . 64 ILE CD1 C 13.0 0.02 1 626 . 65 LYS N N 119.0 0.02 1 627 . 65 LYS H H 7.63 0.01 1 628 . 65 LYS CA C 60.0 0.02 1 629 . 65 LYS HA H 4.03 0.01 1 630 . 65 LYS CB C 32.5 0.02 1 631 . 65 LYS HB2 H 1.99 0.01 1 632 . 65 LYS HB3 H 1.99 0.01 1 633 . 65 LYS CG C 24.7 0.02 1 634 . 65 LYS HG2 H 1.46 0.01 2 635 . 65 LYS HG3 H 1.63 0.01 2 636 . 65 LYS CD C 29.6 0.02 1 637 . 65 LYS HD2 H 1.77 0.01 1 638 . 65 LYS HD3 H 1.77 0.01 1 639 . 66 ARG N N 119.1 0.02 1 640 . 66 ARG H H 8.13 0.01 1 641 . 66 ARG CA C 59.1 0.02 1 642 . 66 ARG HA H 4.22 0.01 1 643 . 66 ARG CB C 30.6 0.02 1 644 . 66 ARG HB2 H 2.04 0.01 2 645 . 66 ARG HB3 H 1.96 0.01 2 646 . 66 ARG CG C 27.2 0.02 1 647 . 66 ARG HG2 H 1.96 0.01 1 648 . 66 ARG HG3 H 1.73 0.01 1 649 . 66 ARG CD C 44.0 0.02 1 650 . 66 ARG HD2 H 3.20 0.01 2 651 . 66 ARG HD3 H 3.33 0.01 2 652 . 67 LEU N N 120.7 0.02 1 653 . 67 LEU H H 8.77 0.01 1 654 . 67 LEU CA C 59.0 0.02 1 655 . 67 LEU HA H 3.84 0.01 1 656 . 67 LEU CB C 42.8 0.02 1 657 . 67 LEU HB2 H 1.79 0.01 2 658 . 67 LEU HB3 H 1.90 0.01 2 659 . 67 LEU CG C 26.9 0.02 1 660 . 67 LEU HG H 1.68 0.01 1 661 . 67 LEU HD1 H 0.83 0.01 1 662 . 67 LEU HD2 H 0.73 0.01 1 663 . 67 LEU CD1 C 25.2 0.02 1 664 . 68 LEU N N 121.5 0.02 1 665 . 68 LEU H H 8.55 0.01 1 666 . 68 LEU CA C 58.0 0.02 1 667 . 68 LEU HA H 4.07 0.01 1 668 . 68 LEU CB C 41.1 0.02 1 669 . 68 LEU HB2 H 2.04 0.01 2 670 . 68 LEU HB3 H 1.54 0.01 2 671 . 68 LEU CG C 26.7 0.02 1 672 . 68 LEU HG H 1.91 0.01 1 673 . 68 LEU HD1 H 0.91 0.01 2 674 . 68 LEU HD2 H 0.84 0.01 2 675 . 68 LEU CD1 C 25.6 0.02 1 676 . 68 LEU CD2 C 25.2 0.02 1 677 . 69 GLU N N 121.2 0.02 1 678 . 69 GLU H H 8.45 0.01 1 679 . 69 GLU CA C 59.7 0.02 1 680 . 69 GLU HA H 4.19 0.01 1 681 . 69 GLU CB C 29.7 0.02 1 682 . 69 GLU HB2 H 2.33 0.01 1 683 . 69 GLU HB3 H 2.18 0.01 1 684 . 69 GLU CG C 36.5 0.02 1 685 . 69 GLU HG2 H 2.35 0.01 2 686 . 69 GLU HG3 H 2.53 0.01 2 687 . 70 GLU N N 119.0 0.02 1 688 . 70 GLU H H 8.92 0.01 1 689 . 70 GLU CA C 59.0 0.02 1 690 . 70 GLU HA H 4.18 0.01 1 691 . 70 GLU CB C 29.2 0.02 1 692 . 70 GLU HB2 H 2.00 0.01 1 693 . 70 GLU HB3 H 2.18 0.01 1 694 . 70 GLU CG C 36.0 0.02 1 695 . 70 GLU HG2 H 2.44 0.01 2 696 . 70 GLU HG3 H 2.54 0.01 2 697 . 71 SER N N 115.0 0.02 1 698 . 71 SER H H 8.14 0.01 1 699 . 71 SER CA C 63.5 0.02 1 700 . 71 SER HA H 4.07 0.01 1 701 . 71 SER CB C 62.0 0.02 1 702 . 71 SER HB2 H 3.82 0.01 1 703 . 71 SER HB3 H 3.82 0.01 1 704 . 72 ASN N N 121.1 0.02 1 705 . 72 ASN H H 8.22 0.01 1 706 . 72 ASN CA C 56.8 0.02 1 707 . 72 ASN HA H 4.55 0.01 1 708 . 72 ASN CB C 38.6 0.02 1 709 . 72 ASN HB2 H 3.08 0.01 1 710 . 72 ASN HB3 H 2.92 0.01 1 711 . 73 LYS N N 121.1 0.02 1 712 . 73 LYS H H 7.94 0.01 1 713 . 73 LYS CA C 59.7 0.02 1 714 . 73 LYS HA H 4.11 0.01 1 715 . 73 LYS CB C 32.4 0.02 1 716 . 73 LYS HB2 H 2.09 0.01 1 717 . 73 LYS HB3 H 2.09 0.01 1 718 . 73 LYS CG C 25.1 0.02 1 719 . 73 LYS HG2 H 1.75 0.01 2 720 . 73 LYS HG3 H 1.58 0.01 2 721 . 73 LYS CD C 29.5 0.02 1 722 . 73 LYS HD2 H 1.82 0.01 1 723 . 73 LYS HD3 H 1.82 0.01 1 724 . 74 GLU N N 115.7 0.02 1 725 . 74 GLU H H 7.31 0.01 1 726 . 74 GLU CA C 54.7 0.02 1 727 . 74 GLU HA H 4.46 0.01 1 728 . 74 GLU CB C 30.3 0.02 1 729 . 74 GLU HB2 H 1.78 0.01 1 730 . 74 GLU HB3 H 1.78 0.01 1 731 . 74 GLU CG C 35.5 0.02 1 732 . 74 GLU HG2 H 2.37 0.01 1 733 . 74 GLU HG3 H 2.37 0.01 1 734 . 75 GLY N N 108.5 0.02 1 735 . 75 GLY H H 7.91 0.01 1 736 . 75 GLY CA C 46.1 0.02 1 737 . 75 GLY HA2 H 3.87 0.01 2 738 . 75 GLY HA3 H 4.08 0.01 2 739 . 76 ILE N N 121.5 0.02 1 740 . 76 ILE H H 8.06 0.01 1 741 . 76 ILE CA C 60.6 0.02 1 742 . 76 ILE HA H 4.02 0.01 1 743 . 76 ILE CB C 40.4 0.02 1 744 . 76 ILE HB H 1.56 0.01 1 745 . 76 ILE HG2 H 0.82 0.01 1 746 . 76 ILE CG2 C 17.0 0.02 1 747 . 76 ILE CG1 C 27.7 0.02 1 748 . 76 ILE HG12 H 1.08 0.01 1 749 . 76 ILE HG13 H 1.08 0.01 1 750 . 76 ILE HD1 H 0.82 0.01 1 751 . 76 ILE CD1 C 14.0 0.02 1 752 . 77 HIS N N 127.3 0.02 1 753 . 77 HIS H H 8.68 0.01 1 754 . 77 HIS CA C 54.0 0.02 1 755 . 77 HIS HA H 4.78 0.01 1 756 . 77 HIS CB C 28.8 0.02 1 757 . 77 HIS HB2 H 3.13 0.01 2 758 . 77 HIS HB3 H 3.06 0.01 2 759 . 78 VAL N N 128.0 0.02 1 760 . 78 VAL H H 8.39 0.01 1 761 . 78 VAL CA C 63.1 0.02 1 762 . 78 VAL HA H 4.03 0.01 1 763 . 78 VAL CB C 31.9 0.02 1 764 . 78 VAL HB H 1.99 0.01 1 765 . 78 VAL HG1 H 1.13 0.01 1 766 . 78 VAL HG2 H 0.99 0.01 1 767 . 78 VAL CG1 C 21.5 0.02 1 768 . 78 VAL CG2 C 22.7 0.02 1 769 . 79 ILE N N 122.5 0.02 1 770 . 79 ILE H H 8.27 0.01 1 771 . 79 ILE CA C 63.4 0.02 1 772 . 79 ILE HA H 3.87 0.01 1 773 . 79 ILE CB C 38.1 0.02 1 774 . 79 ILE HB H 1.72 0.01 1 775 . 79 ILE HG2 H 0.83 0.01 1 776 . 79 ILE CG2 C 17.4 0.02 1 777 . 79 ILE CG1 C 25.6 0.02 1 778 . 79 ILE HG12 H 0.93 0.01 1 779 . 79 ILE HG13 H 0.93 0.01 1 780 . 79 ILE HD1 H 0.73 0.01 1 781 . 79 ILE CD1 C 13.5 0.02 1 782 . 80 HIS N N 119.0 0.02 1 783 . 80 HIS H H 6.60 0.01 1 784 . 80 HIS CA C 54.4 0.02 1 785 . 80 HIS HA H 4.94 0.01 1 786 . 80 HIS CB C 33.4 0.02 1 787 . 80 HIS HB2 H 2.66 0.01 1 788 . 80 HIS HB3 H 3.08 0.01 1 789 . 80 HIS CD2 C 122.4 0.02 1 790 . 80 HIS HD2 H 7.45 0.01 1 791 . 81 ASP N N 119.7 0.02 1 792 . 81 ASP H H 8.38 0.01 1 793 . 81 ASP CA C 52.7 0.02 1 794 . 81 ASP HA H 4.70 0.01 1 795 . 81 ASP CB C 41.3 0.02 1 796 . 81 ASP HB2 H 3.26 0.01 2 797 . 81 ASP HB3 H 2.90 0.01 2 798 . 82 SER N N 114.3 0.02 1 799 . 82 SER H H 8.72 0.01 1 800 . 82 SER CA C 62.8 0.02 1 801 . 82 SER HA H 4.08 0.01 1 802 . 82 SER CB C 62.3 0.02 1 803 . 82 SER HB2 H 4.01 0.01 2 804 . 82 SER HB3 H 3.90 0.01 2 805 . 83 ILE N N 124.0 0.02 1 806 . 83 ILE H H 7.91 0.01 1 807 . 83 ILE CA C 64.2 0.02 1 808 . 83 ILE HA H 3.94 0.01 1 809 . 83 ILE CB C 37.3 0.02 1 810 . 83 ILE HB H 2.12 0.01 1 811 . 83 ILE HG2 H 1.02 0.01 1 812 . 83 ILE CG2 C 17.5 0.02 1 813 . 83 ILE CG1 C 28.7 0.02 1 814 . 83 ILE HG12 H 1.33 0.01 1 815 . 83 ILE HG13 H 1.67 0.01 1 816 . 83 ILE HD1 H 0.96 0.01 1 817 . 83 ILE CD1 C 12.1 0.02 1 818 . 84 THR N N 120.4 0.02 1 819 . 84 THR H H 8.48 0.01 1 820 . 84 THR CA C 66.9 0.02 1 821 . 84 THR HA H 4.07 0.01 1 822 . 84 THR CB C 68.0 0.02 1 823 . 84 THR HB H 4.32 0.01 1 824 . 84 THR HG2 H 1.28 0.01 1 825 . 84 THR CG2 C 21.5 0.02 1 826 . 85 LEU N N 120.8 0.02 1 827 . 85 LEU H H 8.94 0.01 1 828 . 85 LEU CA C 58.2 0.02 1 829 . 85 LEU HA H 3.89 0.01 1 830 . 85 LEU CB C 42.3 0.02 1 831 . 85 LEU HB2 H 2.03 0.01 1 832 . 85 LEU HB3 H 1.36 0.01 1 833 . 85 LEU HG H 1.81 0.01 1 834 . 85 LEU HD1 H 0.93 0.01 1 835 . 85 LEU HD2 H 0.95 0.01 1 836 . 85 LEU CD1 C 25.9 0.02 1 837 . 85 LEU CD2 C 24.8 0.02 1 838 . 86 ALA N N 119.3 0.02 1 839 . 86 ALA H H 7.67 0.01 1 840 . 86 ALA CA C 55.9 0.02 1 841 . 86 ALA HA H 3.93 0.01 1 842 . 86 ALA HB H 1.55 0.01 1 843 . 86 ALA CB C 17.9 0.02 1 844 . 87 PHE N N 117.5 0.02 1 845 . 87 PHE H H 7.62 0.01 1 846 . 87 PHE CA C 61.1 0.02 1 847 . 87 PHE HA H 4.23 0.01 1 848 . 87 PHE CB C 38.8 0.02 1 849 . 87 PHE HB2 H 3.33 0.01 1 850 . 87 PHE HB3 H 3.36 0.01 1 851 . 87 PHE HD1 H 7.28 0.01 1 852 . 87 PHE HD2 H 7.28 0.01 1 853 . 87 PHE HE1 H 7.25 0.01 1 854 . 87 PHE HE2 H 7.25 0.01 1 855 . 87 PHE CZ C 131.7 0.02 1 856 . 87 PHE HZ H 7.44 0.01 1 857 . 88 LEU N N 120.4 0.02 1 858 . 88 LEU H H 8.69 0.01 1 859 . 88 LEU CA C 57.8 0.02 1 860 . 88 LEU HA H 3.98 0.01 1 861 . 88 LEU CB C 42.9 0.02 1 862 . 88 LEU HB2 H 1.43 0.01 1 863 . 88 LEU HB3 H 1.82 0.01 1 864 . 88 LEU CG C 26.5 0.02 1 865 . 88 LEU HG H 1.79 0.01 1 866 . 88 LEU HD1 H 0.85 0.01 1 867 . 88 LEU HD2 H 0.55 0.01 1 868 . 88 LEU CD1 C 22.9 0.02 1 869 . 88 LEU CD2 C 24.7 0.02 1 870 . 89 ILE N N 117.9 0.02 1 871 . 89 ILE H H 8.55 0.01 1 872 . 89 ILE CA C 65.9 0.02 1 873 . 89 ILE HA H 3.44 0.01 1 874 . 89 ILE CB C 38.1 0.02 1 875 . 89 ILE HB H 1.76 0.01 1 876 . 89 ILE HG2 H 0.85 0.01 1 877 . 89 ILE CG2 C 17.4 0.02 1 878 . 89 ILE CG1 C 27.2 0.02 1 879 . 89 ILE HG12 H 1.04 0.01 2 880 . 89 ILE HD1 H 0.74 0.01 1 881 . 90 ARG N N 117.5 0.02 1 882 . 90 ARG H H 7.92 0.01 1 883 . 90 ARG CA C 60.1 0.02 1 884 . 90 ARG HA H 3.76 0.01 1 885 . 90 ARG CB C 30.1 0.02 1 886 . 90 ARG HB2 H 1.90 0.01 1 887 . 90 ARG HB3 H 1.90 0.01 1 888 . 90 ARG CG C 28.3 0.02 1 889 . 90 ARG HG2 H 1.90 0.01 2 890 . 90 ARG HG3 H 1.56 0.01 2 891 . 90 ARG CD C 43.7 0.02 1 892 . 90 ARG HD2 H 3.22 0.01 2 893 . 90 ARG HD3 H 3.14 0.01 2 894 . 91 GLU N N 118.6 0.02 1 895 . 91 GLU H H 8.15 0.01 1 896 . 91 GLU CA C 59.0 0.02 1 897 . 91 GLU HA H 3.95 0.01 1 898 . 91 GLU CB C 29.7 0.02 1 899 . 91 GLU HB2 H 2.04 0.01 1 900 . 91 GLU HB3 H 1.94 0.01 1 901 . 91 GLU CG C 36.0 0.02 1 902 . 91 GLU HG2 H 2.05 0.01 2 903 . 91 GLU HG3 H 2.09 0.01 2 904 . 92 LYS N N 116.1 0.02 1 905 . 92 LYS H H 7.84 0.01 1 906 . 92 LYS CA C 57.3 0.02 1 907 . 92 LYS HA H 4.21 0.01 1 908 . 92 LYS CB C 33.2 0.02 1 909 . 92 LYS HB2 H 1.77 0.01 2 910 . 92 LYS HB3 H 1.80 0.01 2 911 . 92 LYS CG C 25.3 0.02 1 912 . 92 LYS HG2 H 1.63 0.01 2 913 . 92 LYS HG3 H 1.65 0.01 2 914 . 92 LYS HD2 H 1.77 0.01 1 915 . 92 LYS HD3 H 1.77 0.01 1 916 . 93 ALA N N 119.3 0.02 1 917 . 93 ALA H H 8.39 0.01 1 918 . 93 ALA CA C 51.9 0.02 1 919 . 93 ALA HA H 4.00 0.01 1 920 . 93 ALA HB H 0.71 0.01 1 921 . 93 ALA CB C 17.9 0.02 1 922 . 94 SER N N 114.0 0.02 1 923 . 94 SER H H 7.43 0.01 1 924 . 94 SER CA C 59.3 0.02 1 925 . 94 SER HA H 3.99 0.01 1 926 . 94 SER CB C 62.5 0.02 1 927 . 94 SER HB2 H 3.91 0.01 1 928 . 94 SER HB3 H 3.91 0.01 1 929 . 95 HIS N N 119.3 0.02 1 930 . 95 HIS H H 9.40 0.01 1 931 . 95 HIS CA C 57.4 0.02 1 932 . 95 HIS HA H 4.54 0.01 1 933 . 95 HIS CB C 29.5 0.02 1 934 . 95 HIS HB2 H 3.29 0.01 2 935 . 95 HIS HB3 H 3.22 0.01 2 936 . 96 ARG N N 117.1 0.02 1 937 . 96 ARG H H 7.76 0.01 1 938 . 96 ARG CA C 56.6 0.02 1 939 . 96 ARG HA H 4.23 0.01 1 940 . 96 ARG CB C 30.1 0.02 1 941 . 96 ARG HB2 H 2.42 0.01 2 942 . 96 ARG HB3 H 1.26 0.01 2 943 . 96 ARG CG C 27.2 0.02 1 944 . 96 ARG HG2 H 1.28 0.01 2 945 . 96 ARG HG3 H 1.11 0.01 2 946 . 96 ARG CD C 43.0 0.02 1 947 . 96 ARG HD2 H 3.01 0.01 2 948 . 96 ARG HD3 H 2.62 0.01 2 949 . 97 ILE N N 119.4 0.02 1 950 . 97 ILE H H 7.63 0.01 1 951 . 97 ILE CA C 60.3 0.02 1 952 . 97 ILE HA H 4.75 0.01 1 953 . 97 ILE CB C 40.2 0.02 1 954 . 97 ILE HB H 1.73 0.01 1 955 . 97 ILE HG2 H 0.73 0.01 1 956 . 97 ILE CG2 C 17.0 0.02 1 957 . 97 ILE CG1 C 27.8 0.02 1 958 . 97 ILE HG12 H 1.50 0.01 2 959 . 97 ILE HG13 H 0.95 0.01 2 960 . 97 ILE HD1 H 0.79 0.01 1 961 . 97 ILE CD1 C 14.6 0.02 1 962 . 98 VAL N N 125.8 0.02 1 963 . 98 VAL H H 8.73 0.01 1 964 . 98 VAL CA C 61.2 0.02 1 965 . 98 VAL HA H 4.23 0.01 1 966 . 98 VAL CB C 34.5 0.02 1 967 . 98 VAL HB H 1.82 0.01 1 968 . 98 VAL HG1 H 0.93 0.01 2 969 . 98 VAL HG2 H 0.83 0.01 2 970 . 98 VAL CG1 C 21.4 0.02 1 971 . 98 VAL CG2 C 20.7 0.02 1 972 . 100 ARG CA C 58.1 0.02 1 973 . 100 ARG HA H 3.60 0.01 1 974 . 100 ARG CB C 29.0 0.02 1 975 . 100 ARG HB2 H 2.33 0.01 1 976 . 100 ARG HB3 H 2.33 0.01 1 977 . 100 ARG CG C 29.0 0.02 1 978 . 100 ARG HG2 H 1.66 0.01 2 979 . 100 ARG HG3 H 1.48 0.01 2 980 . 100 ARG CD C 43.5 0.02 1 981 . 100 ARG HD2 H 3.42 0.01 2 982 . 100 ARG HD3 H 3.25 0.01 2 983 . 101 VAL N N 120.0 0.02 1 984 . 101 VAL H H 7.91 0.01 1 985 . 101 VAL CA C 61.2 0.02 1 986 . 101 VAL HA H 4.74 0.01 1 987 . 101 VAL CB C 34.5 0.02 1 988 . 101 VAL HB H 2.05 0.01 1 989 . 101 VAL HG1 H 1.06 0.01 1 990 . 101 VAL HG2 H 0.97 0.01 1 991 . 101 VAL CG1 C 22.0 0.02 1 992 . 101 VAL CG2 C 21.2 0.02 1 993 . 102 VAL N N 126.5 0.02 1 994 . 102 VAL H H 9.08 0.01 1 995 . 102 VAL CA C 64.1 0.02 1 996 . 102 VAL HA H 4.15 0.01 1 997 . 102 VAL CB C 31.7 0.02 1 998 . 102 VAL HB H 2.32 0.01 1 999 . 102 VAL HG1 H 0.92 0.01 2 1000 . 102 VAL HG2 H 0.82 0.01 2 1001 . 102 VAL CG1 C 23.4 0.02 1 1002 . 102 VAL CG2 C 22.9 0.02 1 1003 . 103 LYS N N 129.0 0.02 1 1004 . 103 LYS H H 9.63 0.01 1 1005 . 103 LYS CA C 55.5 0.02 1 1006 . 103 LYS HA H 4.61 0.01 1 1007 . 103 LYS CB C 33.8 0.02 1 1008 . 103 LYS HB2 H 1.94 0.01 2 1009 . 103 LYS HB3 H 1.82 0.01 2 1010 . 103 LYS CG C 24.2 0.02 1 1011 . 103 LYS HG2 H 1.56 0.01 1 1012 . 103 LYS HG3 H 1.56 0.01 1 1013 . 103 LYS CD C 28.5 0.02 1 1014 . 103 LYS HD2 H 1.75 0.01 1 1015 . 103 LYS HD3 H 1.75 0.01 1 1016 . 104 SER N N 114.3 0.02 1 1017 . 104 SER H H 7.50 0.01 1 1018 . 104 SER CA C 57.2 0.02 1 1019 . 104 SER HA H 4.68 0.01 1 1020 . 104 SER CB C 64.8 0.02 1 1021 . 104 SER HB2 H 3.85 0.01 2 1022 . 104 SER HB3 H 3.79 0.01 2 1023 . 105 ASP N N 121.5 0.02 1 1024 . 105 ASP H H 8.10 0.01 1 1025 . 105 ASP CA C 55.2 0.02 1 1026 . 105 ASP HA H 4.92 0.01 1 1027 . 105 ASP CB C 41.2 0.02 1 1028 . 105 ASP HB2 H 2.73 0.01 2 1029 . 105 ASP HB3 H 2.67 0.01 2 1030 . 106 PHE N N 115.3 0.02 1 1031 . 106 PHE H H 8.67 0.01 1 1032 . 106 PHE CA C 56.9 0.02 1 1033 . 106 PHE HA H 5.00 0.01 1 1034 . 106 PHE CB C 39.6 0.02 1 1035 . 106 PHE HB2 H 3.38 0.01 2 1036 . 106 PHE HB3 H 3.27 0.01 2 1037 . 106 PHE HD1 H 7.41 0.01 1 1038 . 106 PHE HD2 H 7.41 0.01 1 1039 . 106 PHE HE1 H 7.02 0.01 1 1040 . 106 PHE HE2 H 7.02 0.01 1 1041 . 106 PHE CZ C 128.2 0.02 1 1042 . 106 PHE HZ H 6.79 0.01 1 1043 . 107 GLU N N 118.6 0.02 1 1044 . 107 GLU H H 8.58 0.01 1 1045 . 107 GLU CA C 54.9 0.02 1 1046 . 107 GLU HA H 5.39 0.01 1 1047 . 107 GLU CB C 34.2 0.02 1 1048 . 107 GLU HB2 H 2.01 0.01 1 1049 . 107 GLU HB3 H 2.01 0.01 1 1050 . 107 GLU CG C 37.1 0.02 1 1051 . 107 GLU HG2 H 2.30 0.01 2 1052 . 107 GLU HG3 H 2.17 0.01 2 1053 . 108 ILE N N 120.5 0.02 1 1054 . 108 ILE H H 8.83 0.01 1 1055 . 108 ILE CA C 59.6 0.02 1 1056 . 108 ILE HA H 5.08 0.01 1 1057 . 108 ILE CB C 42.1 0.02 1 1058 . 108 ILE HB H 1.52 0.01 1 1059 . 108 ILE HG2 H 0.92 0.01 1 1060 . 108 ILE CG2 C 18.2 0.02 1 1061 . 108 ILE CG1 C 28.3 0.02 1 1062 . 108 ILE HG12 H 1.09 0.01 1 1063 . 108 ILE HG13 H 1.09 0.01 1 1064 . 108 ILE HD1 H 0.83 0.01 1 1065 . 108 ILE CD1 C 15.4 0.02 1 1066 . 109 GLY N N 113.9 0.02 1 1067 . 109 GLY H H 9.46 0.01 1 1068 . 109 GLY CA C 43.8 0.02 1 1069 . 109 GLY HA2 H 3.59 0.01 2 1070 . 109 GLY HA3 H 5.24 0.01 2 1071 . 110 VAL N N 120.4 0.02 1 1072 . 110 VAL H H 8.24 0.01 1 1073 . 110 VAL CA C 60.3 0.02 1 1074 . 110 VAL HA H 5.21 0.01 1 1075 . 110 VAL CB C 34.4 0.02 1 1076 . 110 VAL HB H 1.80 0.01 1 1077 . 110 VAL HG1 H 0.81 0.01 1 1078 . 110 VAL HG2 H 1.09 0.01 1 1079 . 110 VAL CG1 C 20.7 0.02 1 1080 . 110 VAL CG2 C 21.3 0.02 1 1081 . 111 THR N N 115.4 0.02 1 1082 . 111 THR H H 9.01 0.01 1 1083 . 111 THR CA C 60.9 0.02 1 1084 . 111 THR HA H 4.65 0.01 1 1085 . 111 THR CB C 71.5 0.02 1 1086 . 111 THR HB H 4.84 0.01 1 1087 . 111 THR HG2 H 1.33 0.01 1 1088 . 111 THR CG2 C 22.1 0.02 1 1089 . 112 ARG N N 118.2 0.02 1 1090 . 112 ARG H H 9.11 0.01 1 1091 . 112 ARG CA C 58.3 0.02 1 1092 . 112 ARG HA H 4.02 0.01 1 1093 . 112 ARG CB C 28.9 0.02 1 1094 . 112 ARG HB2 H 2.00 0.01 1 1095 . 112 ARG HB3 H 1.98 0.01 1 1096 . 112 ARG CG C 27.1 0.02 1 1097 . 112 ARG HG2 H 1.91 0.01 1 1098 . 112 ARG HG3 H 1.88 0.01 1 1099 . 112 ARG CD C 42.6 0.02 1 1100 . 112 ARG HD2 H 3.29 0.01 1 1101 . 112 ARG HD3 H 3.29 0.01 1 1102 . 113 ASP N N 113.9 0.02 1 1103 . 113 ASP H H 7.71 0.01 1 1104 . 113 ASP CA C 53.7 0.02 1 1105 . 113 ASP HA H 4.80 0.01 1 1106 . 113 ASP CB C 40.8 0.02 1 1107 . 113 ASP HB2 H 2.92 0.01 2 1108 . 113 ASP HB3 H 2.62 0.01 2 1109 . 114 GLY N N 108.9 0.02 1 1110 . 114 GLY H H 8.26 0.01 1 1111 . 114 GLY CA C 46.4 0.02 1 1112 . 114 GLY HA2 H 4.39 0.01 2 1113 . 114 GLY HA3 H 3.24 0.01 2 1114 . 115 GLU N N 118.2 0.02 1 1115 . 115 GLU H H 7.42 0.01 1 1116 . 115 GLU CA C 54.5 0.02 1 1117 . 115 GLU HA H 4.62 0.01 1 1118 . 115 GLU CB C 31.0 0.02 1 1119 . 115 GLU HB2 H 1.92 0.01 2 1120 . 115 GLU HB3 H 2.14 0.01 2 1121 . 115 GLU CG C 36.2 0.02 1 1122 . 115 GLU HG2 H 2.37 0.01 1 1123 . 115 GLU HG3 H 2.37 0.01 1 1124 . 116 ILE N N 117.9 0.02 1 1125 . 116 ILE H H 8.83 0.01 1 1126 . 116 ILE CA C 58.7 0.02 1 1127 . 116 ILE HA H 5.22 0.01 1 1128 . 116 ILE CB C 39.5 0.02 1 1129 . 116 ILE HB H 1.89 0.01 1 1130 . 116 ILE HG2 H 0.89 0.01 1 1131 . 116 ILE CG2 C 18.0 0.02 1 1132 . 116 ILE CG1 C 27.3 0.02 1 1133 . 116 ILE HG12 H 1.50 0.01 2 1134 . 116 ILE HD1 H 0.82 0.01 1 1135 . 116 ILE CD1 C 13.2 0.02 1 1136 . 117 ILE N N 125.4 0.02 1 1137 . 117 ILE H H 9.14 0.01 1 1138 . 117 ILE CA C 59.6 0.02 1 1139 . 117 ILE HA H 4.44 0.01 1 1140 . 117 ILE CB C 40.8 0.02 1 1141 . 117 ILE HB H 1.70 0.01 1 1142 . 117 ILE HG2 H 0.90 0.01 1 1143 . 117 ILE CG2 C 17.9 0.02 1 1144 . 117 ILE CG1 C 26.4 0.02 1 1145 . 117 ILE HG12 H 1.40 0.01 2 1146 . 117 ILE HG13 H 1.07 0.01 2 1147 . 117 ILE HD1 H 0.81 0.01 1 1148 . 117 ILE CD1 C 13.2 0.02 1 1149 . 118 VAL N N 126.2 0.02 1 1150 . 118 VAL H H 8.85 0.01 1 1151 . 118 VAL CA C 62.2 0.02 1 1152 . 118 VAL HA H 4.50 0.01 1 1153 . 118 VAL CB C 32.6 0.02 1 1154 . 118 VAL HB H 2.02 0.01 1 1155 . 118 VAL HG1 H 0.93 0.01 2 1156 . 118 VAL HG2 H 0.87 0.01 2 1157 . 118 VAL CG1 C 21.9 0.02 1 1158 . 118 VAL CG2 C 21.5 0.02 1 1159 . 119 ASP N N 127.6 0.02 1 1160 . 119 ASP H H 8.92 0.01 1 1161 . 119 ASP CA C 53.9 0.02 1 1162 . 119 ASP HA H 4.90 0.01 1 1163 . 119 ASP CB C 41.5 0.02 1 1164 . 119 ASP HB2 H 2.42 0.01 2 1165 . 119 ASP HB3 H 3.06 0.01 2 1166 . 120 LEU N N 124.0 0.02 1 1167 . 120 LEU H H 8.45 0.01 1 1168 . 120 LEU CA C 54.7 0.02 1 1169 . 120 LEU HA H 4.47 0.01 1 1170 . 120 LEU CB C 42.0 0.02 1 1171 . 120 LEU HB2 H 1.66 0.01 2 1172 . 120 LEU HB3 H 1.72 0.01 2 1173 . 120 LEU CG C 26.9 0.02 1 1174 . 120 LEU HG H 1.66 0.01 1 1175 . 120 LEU HD1 H 0.89 0.01 2 1176 . 120 LEU HD2 H 0.68 0.01 2 1177 . 120 LEU CD2 C 23.0 0.02 1 1178 . 121 ASN N N 119.7 0.02 1 1179 . 121 ASN H H 8.61 0.01 1 1180 . 121 ASN CA C 53.5 0.02 1 1181 . 121 ASN HA H 4.82 0.01 1 1182 . 121 ASN CB C 39.1 0.02 1 1183 . 121 ASN HB2 H 2.97 0.01 1 1184 . 121 ASN HB3 H 2.86 0.01 1 1185 . 122 SER N N 121.1 0.02 1 1186 . 122 SER H H 7.97 0.01 1 1187 . 122 SER CA C 60.0 0.02 1 1188 . 122 SER HA H 4.31 0.01 1 1189 . 122 SER CB C 64.7 0.02 1 1190 . 122 SER HB2 H 3.90 0.01 1 1191 . 122 SER HB3 H 3.90 0.01 1 stop_ save_