data_5710 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure and interactions of Mth11: A homologue of human RNase P protein Rpp29 ; _BMRB_accession_number 5710 _BMRB_flat_file_name bmr5710.str _Entry_type original _Submission_date 2003-02-26 _Accession_date 2003-02-26 _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 Boomershine William P . 2 McElroy Craig . . 3 Tsai Hsin-Yue . . 4 Gopalan Venkat . . 5 Foster Mark P . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 463 "13C chemical shifts" 288 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-12 original author . stop_ _Original_release_date 2004-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of Mth11/Mth Rpp29, an essential protein subunit of archaeal and eukaryotic RNase P ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14673079 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Boomershine William P . 2 McElroy Craig A . 3 Tsai Hsin-Yue . . 4 Wilson R C . 5 Gopalan Venkat . . 6 Foster Mark P . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 100 _Journal_issue 26 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15398 _Page_last 15403 _Year 2003 _Details . loop_ _Keyword NMR 'RNase P' Pop4p stop_ save_ ################################## # Molecular system description # ################################## save_system_Mth11 _Saveframe_category molecular_system _Mol_system_name 'Mth11 free in solution' _Abbreviation_common Mth11 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mth11 monomer' $mth11_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mth11_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mth11 _Abbreviation_common Mth11 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; GSHMLITPRNIFRHELIGLS VRIARSVHRDIQGISGRVVD ETRNTLRIEMDDGREITVPK GIAVFHFRTPQGELVEIDGR ALVARPEERIKKKFRKP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 LEU 6 ILE 7 THR 8 PRO 9 ARG 10 ASN 11 ILE 12 PHE 13 ARG 14 HIS 15 GLU 16 LEU 17 ILE 18 GLY 19 LEU 20 SER 21 VAL 22 ARG 23 ILE 24 ALA 25 ARG 26 SER 27 VAL 28 HIS 29 ARG 30 ASP 31 ILE 32 GLN 33 GLY 34 ILE 35 SER 36 GLY 37 ARG 38 VAL 39 VAL 40 ASP 41 GLU 42 THR 43 ARG 44 ASN 45 THR 46 LEU 47 ARG 48 ILE 49 GLU 50 MET 51 ASP 52 ASP 53 GLY 54 ARG 55 GLU 56 ILE 57 THR 58 VAL 59 PRO 60 LYS 61 GLY 62 ILE 63 ALA 64 VAL 65 PHE 66 HIS 67 PHE 68 ARG 69 THR 70 PRO 71 GLN 72 GLY 73 GLU 74 LEU 75 VAL 76 GLU 77 ILE 78 ASP 79 GLY 80 ARG 81 ALA 82 LEU 83 VAL 84 ALA 85 ARG 86 PRO 87 GLU 88 GLU 89 ARG 90 ILE 91 LYS 92 LYS 93 LYS 94 PHE 95 ARG 96 LYS 97 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-16 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 1OQK "Structure Of Mth11: A Homologue Of Human Rnase P Protein Rpp29" 100.00 97 100.00 100.00 8.79e-61 GB AAB84512 "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" 95.88 93 98.92 100.00 5.10e-57 REF NP_275156 "hypothetical protein MTH11 [Methanothermobacter thermautotrophicus str. Delta H]" 95.88 93 98.92 100.00 5.10e-57 REF WP_010875653 "ribonuclease P [Methanothermobacter thermautotrophicus]" 95.88 93 98.92 100.00 5.10e-57 SP O26119 "RecName: Full=Ribonuclease P protein component 1; Short=RNase P component 1; AltName: Full=Rpp29 [Methanothermobacter thermauto" 95.88 93 98.92 100.00 5.10e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mth11_monomer 'Methanothermobacter thermautotrophicus' 145262 Archaea . Methanothermobacter thermoautotrophicus 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 $mth11_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $mth11_monomer . mM 1.0 1.5 '[U-98% 13C; U-98% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 n/a temperature 299 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mth11 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 HIS CA C 55.560 0.52 1 2 . 3 HIS CB C 29.856 0.52 1 3 . 4 MET N N 122.428 0.35 1 4 . 4 MET H H 8.368 0.01 1 5 . 4 MET CA C 55.394 0.52 1 6 . 4 MET HA H 4.426 0.01 1 7 . 4 MET CB C 33.081 0.52 1 8 . 4 MET HB3 H 1.906 0.01 2 9 . 4 MET HB2 H 1.974 0.01 2 10 . 4 MET CG C 31.987 0.52 1 11 . 4 MET HG3 H 2.387 0.01 2 12 . 4 MET HG2 H 2.442 0.01 2 13 . 4 MET CE C 16.970 0.52 1 14 . 4 MET HE H 2.027 0.01 1 15 . 5 LEU N N 125.238 0.35 1 16 . 5 LEU H H 8.302 0.01 1 17 . 5 LEU CA C 55.180 0.52 1 18 . 5 LEU HA H 4.322 0.01 1 19 . 5 LEU CB C 42.520 0.52 1 20 . 5 LEU HB2 H 1.558 0.01 2 21 . 5 LEU CG C 24.935 0.52 1 22 . 5 LEU HG H 0.860 0.01 1 23 . 6 ILE N N 124.398 0.35 1 24 . 6 ILE H H 8.276 0.01 1 25 . 6 ILE CA C 60.860 0.52 1 26 . 6 ILE HA H 4.257 0.01 1 27 . 6 ILE CB C 38.639 0.52 1 28 . 6 ILE HB H 1.714 0.01 1 29 . 6 ILE CG1 C 27.580 0.52 2 30 . 6 ILE HG13 H 0.829 0.01 1 31 . 6 ILE HG12 H 1.376 0.01 1 32 . 6 ILE CD1 C 13.183 0.52 1 33 . 6 ILE HD1 H 0.711 0.01 1 34 . 6 ILE CG2 C 17.590 0.52 1 35 . 6 ILE HG2 H 0.708 0.01 1 36 . 7 THR N N 121.726 0.35 1 37 . 7 THR H H 8.563 0.01 1 38 . 7 THR CA C 59.284 0.52 1 39 . 7 THR HA H 4.752 0.01 1 40 . 7 THR CB C 70.030 0.52 1 41 . 7 THR HB H 4.317 0.01 1 42 . 7 THR CG2 C 21.263 0.52 1 43 . 7 THR HG2 H 1.166 0.01 1 44 . 9 ARG N N 118.074 0.35 1 45 . 9 ARG H H 8.116 0.01 1 46 . 9 ARG CA C 56.417 0.52 1 47 . 9 ARG HA H 4.324 0.01 1 48 . 9 ARG CB C 31.552 0.52 1 49 . 9 ARG HB3 H 1.687 0.01 2 50 . 9 ARG HB2 H 1.863 0.01 2 51 . 9 ARG CG C 27.286 0.52 1 52 . 9 ARG HG2 H 1.697 0.01 2 53 . 9 ARG CD C 43.005 0.52 1 54 . 9 ARG HD2 H 3.217 0.01 2 55 . 10 ASN N N 118.560 0.35 1 56 . 10 ASN H H 8.202 0.01 1 57 . 10 ASN CA C 53.314 0.52 1 58 . 10 ASN HA H 4.720 0.01 1 59 . 10 ASN CB C 39.171 0.52 1 60 . 10 ASN HB3 H 2.755 0.01 2 61 . 10 ASN HB2 H 2.933 0.01 2 62 . 10 ASN ND2 N 112.175 0.35 1 63 . 10 ASN HD21 H 7.603 0.01 2 64 . 10 ASN HD22 H 6.996 0.01 2 65 . 11 ILE N N 120.504 0.35 1 66 . 11 ILE H H 7.764 0.01 1 67 . 11 ILE CA C 62.401 0.52 1 68 . 11 ILE HA H 3.975 0.01 1 69 . 11 ILE CB C 38.966 0.52 1 70 . 11 ILE HB H 1.723 0.01 1 71 . 11 ILE CG1 C 27.727 0.52 2 72 . 11 ILE HG12 H 1.203 0.01 1 73 . 11 ILE CD1 C 13.917 0.52 1 74 . 11 ILE HD1 H 0.837 0.01 1 75 . 11 ILE CG2 C 16.855 0.52 1 76 . 11 ILE HG2 H 0.599 0.01 1 77 . 16 LEU CA C 55.198 0.52 1 78 . 16 LEU HA H 4.197 0.01 1 79 . 16 LEU CB C 43.220 0.52 1 80 . 16 LEU HB3 H 1.153 0.01 2 81 . 16 LEU HB2 H 1.414 0.01 2 82 . 16 LEU CG C 26.997 0.52 1 83 . 16 LEU HG H 1.543 0.01 1 84 . 16 LEU CD1 C 26.405 0.52 1 85 . 16 LEU HD1 H 0.561 0.01 2 86 . 16 LEU CD2 C 21.997 0.52 1 87 . 16 LEU HD2 H 0.004 0.01 2 88 . 17 ILE CA C 63.406 0.52 1 89 . 17 ILE HA H 3.234 0.01 1 90 . 17 ILE CB C 37.039 0.52 1 91 . 17 ILE HB H 1.725 0.01 1 92 . 17 ILE CG1 C 28.608 0.52 2 93 . 17 ILE HG12 H 1.695 0.01 1 94 . 17 ILE CD1 C 12.889 0.52 1 95 . 17 ILE HD1 H 0.916 0.01 1 96 . 17 ILE CG2 C 17.443 0.52 1 97 . 17 ILE HG2 H 0.829 0.01 1 98 . 18 GLY N N 116.748 0.35 1 99 . 18 GLY H H 9.116 0.01 1 100 . 18 GLY CA C 44.620 0.52 1 101 . 18 GLY HA3 H 3.691 0.01 2 102 . 18 GLY HA2 H 4.551 0.01 2 103 . 19 LEU N N 120.957 0.35 1 104 . 19 LEU H H 8.067 0.01 1 105 . 19 LEU CA C 55.125 0.52 1 106 . 19 LEU HA H 4.590 0.01 1 107 . 19 LEU CB C 41.957 0.52 1 108 . 19 LEU HB2 H 2.037 0.01 2 109 . 19 LEU CG C 26.992 0.52 1 110 . 19 LEU HG H 1.756 0.01 1 111 . 19 LEU CD1 C 22.144 0.52 1 112 . 19 LEU HD1 H 0.889 0.01 2 113 . 19 LEU CD2 C 22.732 0.52 1 114 . 19 LEU HD2 H 0.750 0.01 2 115 . 20 SER N N 117.985 0.35 1 116 . 20 SER H H 8.742 0.01 1 117 . 20 SER CA C 59.168 0.52 1 118 . 20 SER HA H 5.032 0.01 1 119 . 20 SER CB C 63.750 0.52 1 120 . 20 SER HB3 H 3.892 0.01 2 121 . 20 SER HB2 H 3.991 0.01 2 122 . 21 VAL N N 123.561 0.35 1 123 . 21 VAL H H 9.005 0.01 1 124 . 21 VAL CA C 57.912 0.52 1 125 . 21 VAL HA H 5.280 0.01 1 126 . 21 VAL CB C 35.780 0.52 1 127 . 21 VAL HB H 1.767 0.01 1 128 . 21 VAL CG2 C 23.760 0.52 1 129 . 21 VAL HG2 H 0.285 0.01 2 130 . 21 VAL CG1 C 19.941 0.52 1 131 . 21 VAL HG1 H 0.612 0.01 2 132 . 22 ARG N N 125.848 0.35 1 133 . 22 ARG H H 8.495 0.01 1 134 . 22 ARG CA C 53.936 0.52 1 135 . 22 ARG HA H 5.241 0.01 1 136 . 22 ARG CB C 34.372 0.52 1 137 . 22 ARG HB3 H 1.657 0.01 2 138 . 22 ARG HB2 H 1.707 0.01 2 139 . 22 ARG CG C 27.874 0.52 1 140 . 22 ARG HG3 H 1.140 0.01 2 141 . 22 ARG HG2 H 1.348 0.01 2 142 . 22 ARG CD C 43.152 0.52 1 143 . 22 ARG HD2 H 3.175 0.01 2 144 . 23 ILE N N 126.648 0.35 1 145 . 23 ILE H H 8.888 0.01 1 146 . 23 ILE CA C 71.699 0.52 1 147 . 23 ILE HA H 3.860 0.01 1 148 . 23 ILE CB C 35.007 0.52 1 149 . 23 ILE HB H 2.245 0.01 1 150 . 23 ILE CG1 C 27.874 0.52 2 151 . 23 ILE HG13 H 0.937 0.01 1 152 . 23 ILE HG12 H 1.473 0.01 1 153 . 23 ILE CD1 C 13.771 0.52 1 154 . 23 ILE HD1 H 0.790 0.01 1 155 . 23 ILE CG2 C 18.765 0.52 1 156 . 23 ILE HG2 H 0.433 0.01 1 157 . 24 ALA N N 134.381 0.35 1 158 . 24 ALA H H 7.898 0.01 1 159 . 24 ALA CA C 54.089 0.52 1 160 . 24 ALA HA H 3.795 0.01 1 161 . 24 ALA CB C 17.636 0.52 1 162 . 24 ALA HB H 0.344 0.01 1 163 . 25 ARG N N 112.445 0.35 1 164 . 25 ARG H H 7.161 0.01 1 165 . 25 ARG CA C 54.710 0.52 1 166 . 25 ARG HA H 4.616 0.01 1 167 . 25 ARG CB C 34.200 0.52 1 168 . 25 ARG HB3 H 1.451 0.01 2 169 . 25 ARG HB2 H 1.633 0.01 2 170 . 25 ARG CG C 27.286 0.52 1 171 . 25 ARG HG2 H 1.389 0.01 2 172 . 25 ARG CD C 43.299 0.52 1 173 . 25 ARG HD3 H 3.049 0.01 2 174 . 25 ARG HD2 H 3.146 0.01 2 175 . 26 SER N N 115.436 0.35 1 176 . 26 SER H H 8.503 0.01 1 177 . 26 SER CA C 57.641 0.52 1 178 . 26 SER HA H 4.759 0.01 1 179 . 26 SER CB C 64.971 0.52 1 180 . 26 SER HB3 H 3.269 0.01 2 181 . 26 SER HB2 H 3.714 0.01 2 182 . 27 VAL N N 122.662 0.35 1 183 . 27 VAL H H 8.047 0.01 1 184 . 27 VAL CA C 63.951 0.52 1 185 . 27 VAL HA H 4.029 0.01 1 186 . 27 VAL CB C 31.719 0.52 1 187 . 27 VAL HB H 2.085 0.01 1 188 . 27 VAL CG2 C 19.941 0.52 1 189 . 27 VAL HG2 H 0.873 0.01 2 190 . 27 VAL CG1 C 20.969 0.52 1 191 . 27 VAL HG1 H 0.876 0.01 2 192 . 28 HIS N N 120.655 0.35 1 193 . 28 HIS H H 8.146 0.01 1 194 . 28 HIS CA C 54.000 0.52 1 195 . 28 HIS HA H 4.803 0.01 1 196 . 28 HIS CB C 28.651 0.52 1 197 . 28 HIS HB3 H 2.949 0.01 2 198 . 28 HIS HB2 H 3.013 0.01 2 199 . 29 ARG N N 126.389 0.35 1 200 . 29 ARG H H 8.640 0.01 1 201 . 29 ARG CA C 58.973 0.52 1 202 . 29 ARG HA H 3.866 0.01 1 203 . 29 ARG CB C 29.960 0.52 1 204 . 29 ARG HB2 H 1.851 0.01 2 205 . 29 ARG CG C 29.343 0.52 1 206 . 29 ARG HG2 H 1.697 0.01 2 207 . 29 ARG CD C 43.152 0.52 1 208 . 29 ARG HD2 H 3.202 0.01 2 209 . 30 ASP N N 115.949 0.35 1 210 . 30 ASP H H 8.815 0.01 1 211 . 30 ASP CA C 55.715 0.52 1 212 . 30 ASP HA H 4.381 0.01 1 213 . 30 ASP CB C 39.043 0.52 1 214 . 30 ASP HB3 H 2.518 0.01 2 215 . 30 ASP HB2 H 2.714 0.01 2 216 . 31 ILE N N 111.775 0.35 1 217 . 31 ILE H H 7.166 0.01 1 218 . 31 ILE CA C 60.605 0.52 1 219 . 31 ILE HA H 4.538 0.01 1 220 . 31 ILE CB C 38.481 0.52 1 221 . 31 ILE HB H 2.044 0.01 1 222 . 31 ILE CG1 C 26.258 0.52 2 223 . 31 ILE HG13 H 1.204 0.01 1 224 . 31 ILE HG12 H 1.322 0.01 1 225 . 31 ILE CD1 C 14.064 0.52 1 226 . 31 ILE HD1 H 0.789 0.01 1 227 . 31 ILE CG2 C 17.443 0.52 1 228 . 31 ILE HG2 H 0.789 0.01 1 229 . 32 GLN N N 121.283 0.35 1 230 . 32 GLN H H 7.188 0.01 1 231 . 32 GLN CA C 58.746 0.52 1 232 . 32 GLN HA H 3.535 0.01 1 233 . 32 GLN CB C 28.537 0.52 1 234 . 32 GLN HB3 H 1.993 0.01 2 235 . 32 GLN HB2 H 2.050 0.01 2 236 . 32 GLN CG C 34.925 0.52 1 237 . 32 GLN HG2 H 2.135 0.01 2 238 . 32 GLN NE2 N 111.314 0.35 1 239 . 32 GLN HE21 H 7.451 0.01 2 240 . 32 GLN HE22 H 6.818 0.01 2 241 . 33 GLY N N 114.847 0.35 1 242 . 33 GLY H H 8.829 0.01 1 243 . 33 GLY CA C 45.141 0.52 1 244 . 33 GLY HA3 H 3.495 0.01 2 245 . 33 GLY HA2 H 4.303 0.01 2 246 . 34 ILE N N 121.309 0.35 1 247 . 34 ILE H H 7.252 0.01 1 248 . 34 ILE CA C 62.838 0.52 1 249 . 34 ILE HA H 4.030 0.01 1 250 . 34 ILE CB C 38.048 0.52 1 251 . 34 ILE HB H 1.893 0.01 1 252 . 34 ILE CG1 C 28.461 0.52 2 253 . 34 ILE HG13 H 1.293 0.01 1 254 . 34 ILE HG12 H 1.490 0.01 1 255 . 34 ILE CD1 C 17.443 0.52 1 256 . 34 ILE HD1 H 0.818 0.01 1 257 . 34 ILE HG2 H 0.602 0.01 1 258 . 35 SER N N 120.022 0.35 1 259 . 35 SER H H 8.263 0.01 1 260 . 35 SER CA C 56.110 0.52 1 261 . 35 SER HA H 5.527 0.01 1 262 . 35 SER CB C 66.667 0.52 1 263 . 35 SER HB3 H 3.730 0.01 2 264 . 35 SER HB2 H 3.899 0.01 2 265 . 36 GLY N N 108.976 0.35 1 266 . 36 GLY H H 8.611 0.01 1 267 . 36 GLY CA C 46.600 0.52 1 268 . 36 GLY HA3 H 4.121 0.01 2 269 . 36 GLY HA2 H 4.277 0.01 2 270 . 37 ARG N N 124.093 0.35 1 271 . 37 ARG H H 8.660 0.01 1 272 . 37 ARG CA C 53.991 0.52 1 273 . 37 ARG HA H 5.319 0.01 1 274 . 37 ARG CB C 33.753 0.52 1 275 . 37 ARG HB2 H 1.672 0.01 2 276 . 37 ARG CG C 27.280 0.52 1 277 . 37 ARG HG3 H 1.298 0.01 2 278 . 37 ARG HG2 H 1.471 0.01 2 279 . 37 ARG CD C 43.446 0.52 1 280 . 37 ARG HD2 H 3.146 0.01 2 281 . 38 VAL N N 124.798 0.35 1 282 . 38 VAL H H 8.836 0.01 1 283 . 38 VAL CA C 64.493 0.52 1 284 . 38 VAL HA H 4.108 0.01 1 285 . 38 VAL CB C 31.426 0.52 1 286 . 38 VAL HB H 2.623 0.01 1 287 . 38 VAL CG2 C 23.319 0.52 1 288 . 38 VAL HG2 H 0.863 0.01 2 289 . 38 VAL CG1 C 23.026 0.52 1 290 . 38 VAL HG1 H 1.066 0.01 2 291 . 39 VAL N N 123.236 0.35 1 292 . 39 VAL H H 9.254 0.01 1 293 . 39 VAL CA C 61.459 0.52 1 294 . 39 VAL HA H 4.681 0.01 1 295 . 39 VAL CB C 33.687 0.52 1 296 . 39 VAL HB H 2.261 0.01 1 297 . 39 VAL CG2 C 19.059 0.52 1 298 . 39 VAL HG2 H 0.739 0.01 2 299 . 39 VAL CG1 C 22.144 0.52 1 300 . 39 VAL HG1 H 0.947 0.01 2 301 . 40 ASP N N 119.205 0.35 1 302 . 40 ASP H H 7.948 0.01 1 303 . 40 ASP CA C 53.909 0.52 1 304 . 40 ASP HA H 4.759 0.01 1 305 . 40 ASP CB C 43.991 0.52 1 306 . 40 ASP HB3 H 2.380 0.01 2 307 . 40 ASP HB2 H 2.706 0.01 2 308 . 41 GLU N N 122.578 0.35 1 309 . 41 GLU H H 8.510 0.01 1 310 . 41 GLU CA C 55.778 0.52 1 311 . 41 GLU HA H 4.316 0.01 1 312 . 41 GLU CB C 32.814 0.52 1 313 . 41 GLU HB3 H 1.500 0.01 2 314 . 41 GLU HB2 H 1.836 0.01 2 315 . 41 GLU HG3 H 1.710 0.01 2 316 . 41 GLU HG2 H 2.107 0.01 2 317 . 42 THR N N 117.841 0.35 1 318 . 42 THR H H 8.737 0.01 1 319 . 42 THR CA C 59.814 0.52 1 320 . 42 THR HA H 4.863 0.01 1 321 . 42 THR CB C 71.314 0.52 1 322 . 42 THR HB H 4.701 0.01 1 323 . 42 THR CG2 C 20.822 0.52 1 324 . 42 THR HG2 H 1.099 0.01 1 325 . 43 ARG N N 120.764 0.35 1 326 . 43 ARG H H 8.934 0.01 1 327 . 43 ARG CA C 60.428 0.52 1 328 . 43 ARG HA H 4.123 0.01 1 329 . 43 ARG CB C 30.403 0.52 1 330 . 43 ARG HB3 H 1.804 0.01 2 331 . 43 ARG HB2 H 1.949 0.01 2 332 . 43 ARG CG C 27.139 0.52 1 333 . 43 ARG HG2 H 1.575 0.01 2 334 . 43 ARG CD C 43.446 0.52 1 335 . 43 ARG HD2 H 3.201 0.01 2 336 . 44 ASN N N 108.750 0.35 1 337 . 44 ASN H H 8.082 0.01 1 338 . 44 ASN CA C 53.526 0.52 1 339 . 44 ASN HA H 5.137 0.01 1 340 . 44 ASN CB C 41.668 0.52 1 341 . 44 ASN HB2 H 2.935 0.01 2 342 . 44 ASN ND2 N 114.328 0.35 1 343 . 44 ASN HD21 H 7.653 0.01 2 344 . 44 ASN HD22 H 6.981 0.01 2 345 . 45 THR N N 112.543 0.35 1 346 . 45 THR H H 7.807 0.01 1 347 . 45 THR CA C 60.951 0.52 1 348 . 45 THR HA H 5.345 0.01 1 349 . 45 THR CB C 73.737 0.52 1 350 . 45 THR HB H 3.921 0.01 1 351 . 45 THR CG2 C 21.263 0.52 1 352 . 45 THR HG2 H 0.968 0.01 1 353 . 46 LEU N N 119.153 0.35 1 354 . 46 LEU H H 8.712 0.01 1 355 . 46 LEU CA C 54.101 0.52 1 356 . 46 LEU HA H 4.915 0.01 1 357 . 46 LEU CB C 46.405 0.52 1 358 . 46 LEU HB3 H 1.342 0.01 2 359 . 46 LEU HB2 H 1.480 0.01 2 360 . 46 LEU CG C 26.845 0.52 1 361 . 46 LEU HG H 1.404 0.01 1 362 . 46 LEU CD1 C 24.789 0.52 1 363 . 46 LEU HD1 H 0.820 0.01 2 364 . 46 LEU CD2 C 25.670 0.52 1 365 . 46 LEU HD2 H 0.364 0.01 2 366 . 47 ARG N N 124.052 0.35 1 367 . 47 ARG H H 8.332 0.01 1 368 . 47 ARG CA C 55.203 0.52 1 369 . 47 ARG HA H 5.306 0.01 1 370 . 47 ARG CB C 32.735 0.52 1 371 . 47 ARG HB3 H 1.610 0.01 2 372 . 47 ARG HB2 H 1.711 0.01 2 373 . 47 ARG CG C 27.874 0.52 1 374 . 47 ARG HG3 H 1.275 0.01 2 375 . 47 ARG HG2 H 1.404 0.01 2 376 . 47 ARG CD C 43.446 0.52 1 377 . 47 ARG HD3 H 3.019 0.01 2 378 . 47 ARG HD2 H 3.123 0.01 2 379 . 48 ILE N N 129.160 0.35 1 380 . 48 ILE H H 9.282 0.01 1 381 . 48 ILE CA C 59.747 0.52 1 382 . 48 ILE HA H 4.707 0.01 1 383 . 48 ILE CB C 42.185 0.52 1 384 . 48 ILE HB H 1.568 0.01 1 385 . 48 ILE CG1 C 27.874 0.52 2 386 . 48 ILE HG12 H 1.463 0.01 1 387 . 48 ILE CD1 C 14.358 0.52 1 388 . 48 ILE HD1 H 0.672 0.01 1 389 . 48 ILE CG2 C 15.974 0.52 1 390 . 48 ILE HG2 H 0.472 0.01 1 391 . 49 GLU N N 128.130 0.35 1 392 . 49 GLU H H 9.238 0.01 1 393 . 49 GLU CA C 55.108 0.52 1 394 . 49 GLU HA H 4.850 0.01 1 395 . 49 GLU CB C 32.095 0.52 1 396 . 49 GLU HB3 H 1.935 0.01 2 397 . 49 GLU HB2 H 2.076 0.01 2 398 . 49 GLU CG C 36.688 0.52 1 399 . 49 GLU HG2 H 2.291 0.01 2 400 . 50 MET N N 129.207 0.35 1 401 . 50 MET H H 9.390 0.01 1 402 . 50 MET CA C 56.536 0.52 1 403 . 50 MET HA H 4.811 0.01 1 404 . 50 MET CB C 34.549 0.52 1 405 . 50 MET HB2 H 2.429 0.01 2 406 . 50 MET CG C 32.722 0.52 1 407 . 50 MET HG2 H 2.538 0.01 2 408 . 50 MET CE C 17.598 0.52 1 409 . 50 MET HE H 2.060 0.01 1 410 . 51 ASP N N 122.090 0.35 1 411 . 51 ASP H H 8.969 0.01 1 412 . 51 ASP CA C 57.174 0.52 1 413 . 51 ASP HA H 4.381 0.01 1 414 . 51 ASP CB C 40.210 0.52 1 415 . 51 ASP HB3 H 2.500 0.01 2 416 . 51 ASP HB2 H 2.708 0.01 2 417 . 52 ASP N N 116.703 0.35 1 418 . 52 ASP H H 7.837 0.01 1 419 . 52 ASP CA C 53.411 0.52 1 420 . 52 ASP HA H 4.524 0.01 1 421 . 52 ASP CB C 40.141 0.52 1 422 . 52 ASP HB3 H 2.597 0.01 2 423 . 52 ASP HB2 H 3.072 0.01 2 424 . 53 GLY N N 109.493 0.35 1 425 . 53 GLY H H 8.218 0.01 1 426 . 53 GLY CA C 45.103 0.52 1 427 . 53 GLY HA3 H 3.730 0.01 2 428 . 53 GLY HA2 H 4.342 0.01 2 429 . 54 ARG N N 121.807 0.35 1 430 . 54 ARG H H 7.887 0.01 1 431 . 54 ARG CA C 57.102 0.52 1 432 . 54 ARG HA H 4.303 0.01 1 433 . 54 ARG CB C 31.637 0.52 1 434 . 54 ARG HB3 H 1.723 0.01 2 435 . 54 ARG HB2 H 2.102 0.01 2 436 . 54 ARG CG C 27.726 0.52 1 437 . 54 ARG HG2 H 1.607 0.01 2 438 . 54 ARG CD C 43.446 0.52 1 439 . 54 ARG HD2 H 3.195 0.01 2 440 . 55 GLU N N 120.669 0.35 1 441 . 55 GLU H H 8.448 0.01 1 442 . 55 GLU CA C 54.561 0.52 1 443 . 55 GLU HA H 5.567 0.01 1 444 . 55 GLU CB C 32.790 0.52 1 445 . 55 GLU HB3 H 1.757 0.01 2 446 . 55 GLU HB2 H 1.958 0.01 2 447 . 55 GLU CG C 36.982 0.52 1 448 . 55 GLU HG2 H 2.283 0.01 2 449 . 56 ILE N N 120.962 0.35 1 450 . 56 ILE H H 9.007 0.01 1 451 . 56 ILE CA C 59.479 0.52 1 452 . 56 ILE HA H 4.642 0.01 1 453 . 56 ILE CB C 42.365 0.52 1 454 . 56 ILE HB H 1.709 0.01 1 455 . 56 ILE CG1 C 27.580 0.52 2 456 . 56 ILE HG13 H 1.010 0.01 1 457 . 56 ILE HG12 H 1.504 0.01 1 458 . 56 ILE CD1 C 13.917 0.52 1 459 . 56 ILE HD1 H 0.811 0.01 1 460 . 56 ILE CG2 C 16.709 0.52 1 461 . 56 ILE HG2 H 0.859 0.01 1 462 . 57 THR N N 124.138 0.35 1 463 . 57 THR H H 8.699 0.01 1 464 . 57 THR CA C 62.658 0.52 1 465 . 57 THR HA H 4.941 0.01 1 466 . 57 THR CB C 69.173 0.52 1 467 . 57 THR HB H 3.990 0.01 1 468 . 57 THR CG2 C 21.557 0.52 1 469 . 57 THR HG2 H 1.067 0.01 1 470 . 58 VAL N N 126.700 0.35 1 471 . 58 VAL H H 9.328 0.01 1 472 . 58 VAL CA C 57.963 0.52 1 473 . 58 VAL HA H 4.728 0.01 1 474 . 58 VAL CB C 34.921 0.52 1 475 . 58 VAL HB H 2.034 0.01 1 476 . 58 VAL HG2 H 1.875 0.01 2 477 . 58 VAL CG1 C 21.116 0.52 1 478 . 58 VAL HG1 H 0.919 0.01 2 479 . 59 PRO CA C 62.256 0.52 1 480 . 59 PRO HA H 4.632 0.01 1 481 . 59 PRO CB C 31.668 0.52 1 482 . 59 PRO HB3 H 1.918 0.01 2 483 . 59 PRO HB2 H 2.437 0.01 2 484 . 59 PRO CG C 27.874 0.52 1 485 . 59 PRO HG2 H 2.104 0.01 2 486 . 59 PRO CD C 51.232 0.52 1 487 . 59 PRO HD3 H 3.779 0.01 2 488 . 59 PRO HD2 H 3.932 0.01 2 489 . 60 LYS N N 124.276 0.35 1 490 . 60 LYS H H 8.539 0.01 1 491 . 60 LYS CA C 60.147 0.52 1 492 . 60 LYS HA H 4.332 0.01 1 493 . 60 LYS CB C 34.064 0.52 1 494 . 60 LYS HB2 H 2.204 0.01 2 495 . 60 LYS HG3 H 1.416 0.01 2 496 . 60 LYS HG2 H 1.118 0.01 2 497 . 60 LYS HD2 H 1.613 0.01 2 498 . 60 LYS CE C 41.682 0.52 1 499 . 60 LYS HE3 H 2.367 0.01 2 500 . 60 LYS HE2 H 3.137 0.01 2 501 . 61 GLY N N 98.251 0.35 1 502 . 61 GLY H H 8.587 0.01 1 503 . 61 GLY CA C 46.219 0.52 1 504 . 61 GLY HA3 H 3.694 0.01 2 505 . 61 GLY HA2 H 3.743 0.01 2 506 . 62 ILE N N 109.472 0.35 1 507 . 62 ILE H H 6.734 0.01 1 508 . 62 ILE CA C 59.615 0.52 1 509 . 62 ILE HA H 4.590 0.01 1 510 . 62 ILE CB C 39.634 0.52 1 511 . 62 ILE HB H 2.126 0.01 1 512 . 62 ILE CG1 C 26.405 0.52 2 513 . 62 ILE HG13 H 1.125 0.01 1 514 . 62 ILE HG12 H 1.303 0.01 1 515 . 62 ILE CD1 C 14.946 0.52 1 516 . 62 ILE HD1 H 0.691 0.01 1 517 . 62 ILE CG2 C 17.884 0.52 1 518 . 62 ILE HG2 H 0.828 0.01 1 519 . 63 ALA N N 125.467 0.35 1 520 . 63 ALA H H 7.453 0.01 1 521 . 63 ALA CA C 50.901 0.52 1 522 . 63 ALA HA H 5.059 0.01 1 523 . 63 ALA CB C 23.156 0.52 1 524 . 63 ALA HB H 0.617 0.01 1 525 . 64 VAL N N 119.288 0.35 1 526 . 64 VAL H H 8.111 0.01 1 527 . 64 VAL CA C 62.756 0.52 1 528 . 64 VAL HA H 4.186 0.01 1 529 . 64 VAL CB C 33.331 0.52 1 530 . 64 VAL HB H 1.659 0.01 1 531 . 64 VAL CG2 C 21.116 0.52 1 532 . 64 VAL HG2 H 0.800 0.01 2 533 . 64 VAL CG1 C 20.822 0.52 1 534 . 64 VAL HG1 H 0.899 0.01 2 535 . 65 PHE N N 125.616 0.35 1 536 . 65 PHE H H 8.790 0.01 1 537 . 65 PHE CA C 57.640 0.52 1 538 . 65 PHE HA H 4.707 0.01 1 539 . 65 PHE CB C 43.646 0.52 1 540 . 65 PHE HB3 H 2.123 0.01 2 541 . 65 PHE HB2 H 2.727 0.01 2 542 . 65 PHE HD1 H 6.898 0.01 1 543 . 65 PHE HE1 H 7.077 0.01 1 544 . 65 PHE HZ H 7.244 0.01 1 545 . 65 PHE HE2 H 7.077 0.01 1 546 . 65 PHE HD2 H 6.898 0.01 1 547 . 66 HIS N N 121.446 0.35 1 548 . 66 HIS H H 9.207 0.01 1 549 . 66 HIS CA C 53.429 0.52 1 550 . 66 HIS HA H 5.658 0.01 1 551 . 66 HIS CB C 33.296 0.52 1 552 . 66 HIS HB3 H 2.736 0.01 2 553 . 66 HIS HB2 H 3.062 0.01 2 554 . 67 PHE N N 123.999 0.35 1 555 . 67 PHE H H 9.316 0.01 1 556 . 67 PHE CA C 57.180 0.52 1 557 . 67 PHE HA H 5.397 0.01 1 558 . 67 PHE CB C 42.533 0.52 1 559 . 67 PHE HB3 H 2.666 0.01 2 560 . 67 PHE HB2 H 2.943 0.01 2 561 . 67 PHE HD1 H 7.149 0.01 1 562 . 67 PHE HE1 H 7.038 0.01 1 563 . 67 PHE HZ H 6.895 0.01 1 564 . 67 PHE HE2 H 7.038 0.01 1 565 . 67 PHE HD2 H 7.149 0.01 1 566 . 68 ARG N N 121.288 0.35 1 567 . 68 ARG H H 8.198 0.01 1 568 . 68 ARG CA C 53.699 0.52 1 569 . 68 ARG HA H 5.500 0.01 1 570 . 68 ARG CB C 32.129 0.52 1 571 . 68 ARG HB3 H 1.677 0.01 2 572 . 68 ARG HB2 H 1.755 0.01 2 573 . 68 ARG CG C 26.992 0.52 1 574 . 68 ARG HG2 H 1.553 0.01 2 575 . 68 ARG CD C 43.152 0.52 1 576 . 68 ARG HD2 H 3.072 0.01 2 577 . 69 THR N N 116.724 0.35 1 578 . 69 THR H H 9.112 0.01 1 579 . 69 THR CA C 60.779 0.52 1 580 . 69 THR HA H 4.494 0.01 1 581 . 69 THR CB C 68.261 0.52 1 582 . 69 THR HB H 4.743 0.01 1 583 . 69 THR CG2 C 21.997 0.52 1 584 . 69 THR HG2 H 1.214 0.01 1 585 . 70 PRO CA C 65.226 0.52 1 586 . 70 PRO HA H 4.194 0.01 1 587 . 70 PRO CB C 31.224 0.52 1 588 . 70 PRO HB3 H 1.877 0.01 2 589 . 70 PRO HB2 H 2.202 0.01 2 590 . 70 PRO CG C 27.286 0.52 1 591 . 70 PRO HG3 H 1.935 0.01 2 592 . 70 PRO HG2 H 1.999 0.01 2 593 . 70 PRO CD C 50.497 0.52 1 594 . 70 PRO HD3 H 3.634 0.01 2 595 . 70 PRO HD2 H 3.785 0.01 2 596 . 71 GLN N N 113.453 0.35 1 597 . 71 GLN H H 7.466 0.01 1 598 . 71 GLN CA C 56.977 0.52 1 599 . 71 GLN HA H 4.329 0.01 1 600 . 71 GLN CB C 28.391 0.52 1 601 . 71 GLN HB3 H 2.010 0.01 2 602 . 71 GLN HB2 H 2.246 0.01 2 603 . 71 GLN CG C 34.925 0.52 1 604 . 71 GLN HG3 H 2.350 0.01 2 605 . 71 GLN HG2 H 2.508 0.01 2 606 . 71 GLN NE2 N 112.944 0.35 1 607 . 71 GLN HE21 H 7.592 0.01 2 608 . 71 GLN HE22 H 6.930 0.01 2 609 . 72 GLY N N 108.718 0.35 1 610 . 72 GLY H H 8.264 0.01 1 611 . 72 GLY CA C 45.309 0.52 1 612 . 72 GLY HA3 H 3.574 0.01 2 613 . 72 GLY HA2 H 4.290 0.01 2 614 . 73 GLU N N 121.484 0.35 1 615 . 73 GLU H H 7.401 0.01 1 616 . 73 GLU CA C 56.011 0.52 1 617 . 73 GLU HA H 4.316 0.01 1 618 . 73 GLU CB C 30.632 0.52 1 619 . 73 GLU HB2 H 1.958 0.01 2 620 . 73 GLU CG C 36.394 0.52 1 621 . 73 GLU HG2 H 2.102 0.01 2 622 . 74 LEU N N 126.287 0.35 1 623 . 74 LEU H H 8.581 0.01 1 624 . 74 LEU CA C 54.419 0.52 1 625 . 74 LEU HA H 4.993 0.01 1 626 . 74 LEU CB C 43.299 0.52 1 627 . 74 LEU HB3 H 1.386 0.01 2 628 . 74 LEU HB2 H 1.568 0.01 2 629 . 74 LEU CG C 27.433 0.52 1 630 . 74 LEU HG H 1.253 0.01 1 631 . 74 LEU CD1 C 24.201 0.52 1 632 . 74 LEU HD1 H 0.661 0.01 2 633 . 74 LEU CD2 C 24.642 0.52 1 634 . 74 LEU HD2 H 0.592 0.01 2 635 . 75 VAL N N 126.396 0.35 1 636 . 75 VAL H H 9.210 0.01 1 637 . 75 VAL CA C 61.034 0.52 1 638 . 75 VAL HA H 4.407 0.01 1 639 . 75 VAL CB C 34.981 0.52 1 640 . 75 VAL HB H 1.893 0.01 1 641 . 75 VAL CG2 C 21.353 0.52 1 642 . 75 VAL HG2 H 0.852 0.01 2 643 . 75 VAL CG1 C 20.969 0.52 1 644 . 75 VAL HG1 H 0.825 0.01 2 645 . 76 GLU N N 128.844 0.35 1 646 . 76 GLU H H 8.699 0.01 1 647 . 76 GLU CA C 54.991 0.52 1 648 . 76 GLU HA H 5.384 0.01 1 649 . 76 GLU CB C 31.613 0.52 1 650 . 76 GLU HB3 H 1.787 0.01 2 651 . 76 GLU HB2 H 1.965 0.01 2 652 . 76 GLU HG2 H 2.251 0.01 2 653 . 77 ILE N N 126.700 0.35 1 654 . 77 ILE H H 9.328 0.01 1 655 . 77 ILE CA C 59.549 0.52 1 656 . 77 ILE HA H 4.636 0.01 1 657 . 77 ILE CB C 42.470 0.52 1 658 . 77 ILE HB H 1.845 0.01 1 659 . 77 ILE CG1 C 27.580 0.52 2 660 . 77 ILE HG13 H 1.188 0.01 1 661 . 77 ILE HG12 H 1.551 0.01 1 662 . 77 ILE CD1 C 13.477 0.52 1 663 . 77 ILE HD1 H 0.621 0.01 1 664 . 77 ILE CG2 C 17.296 0.52 1 665 . 77 ILE HG2 H 1.021 0.01 1 666 . 78 ASP N N 129.849 0.35 1 667 . 78 ASP H H 8.979 0.01 1 668 . 78 ASP CA C 55.021 0.52 1 669 . 78 ASP HA H 4.577 0.01 1 670 . 78 ASP CB C 41.924 0.52 1 671 . 78 ASP HB3 H 2.686 0.01 2 672 . 78 ASP HB2 H 2.974 0.01 2 673 . 79 GLY N N 118.481 0.35 1 674 . 79 GLY H H 9.370 0.01 1 675 . 79 GLY CA C 48.521 0.52 1 676 . 79 GLY HA3 H 3.795 0.01 2 677 . 79 GLY HA2 H 3.775 0.01 2 678 . 80 ARG N N 119.153 0.35 1 679 . 80 ARG H H 8.712 0.01 1 680 . 80 ARG CA C 59.569 0.52 1 681 . 80 ARG HA H 3.960 0.01 1 682 . 80 ARG CB C 30.029 0.52 1 683 . 80 ARG HB2 H 1.856 0.01 2 684 . 80 ARG CG C 27.286 0.52 1 685 . 80 ARG HG2 H 1.702 0.01 2 686 . 80 ARG CD C 43.299 0.52 1 687 . 80 ARG HD3 H 3.184 0.01 2 688 . 80 ARG HD2 H 3.306 0.01 2 689 . 81 ALA N N 120.655 0.35 1 690 . 81 ALA H H 8.146 0.01 1 691 . 81 ALA CA C 53.685 0.52 1 692 . 81 ALA HA H 4.355 0.01 1 693 . 81 ALA CB C 18.652 0.52 1 694 . 81 ALA HB H 1.633 0.01 1 695 . 82 LEU N N 115.208 0.35 1 696 . 82 LEU H H 7.743 0.01 1 697 . 82 LEU CA C 54.145 0.52 1 698 . 82 LEU HA H 4.355 0.01 1 699 . 82 LEU CB C 42.956 0.52 1 700 . 82 LEU HB3 H 1.451 0.01 2 701 . 82 LEU HB2 H 2.037 0.01 2 702 . 82 LEU CG C 27.139 0.52 1 703 . 82 LEU HG H 1.542 0.01 1 704 . 82 LEU CD1 C 23.907 0.52 1 705 . 82 LEU HD1 H 0.820 0.01 2 706 . 82 LEU CD2 C 24.642 0.52 1 707 . 82 LEU HD2 H 0.853 0.01 2 708 . 83 VAL N N 122.952 0.35 1 709 . 83 VAL H H 7.271 0.01 1 710 . 83 VAL CA C 63.797 0.52 1 711 . 83 VAL HA H 4.082 0.01 1 712 . 83 VAL CB C 32.149 0.52 1 713 . 83 VAL HB H 2.167 0.01 1 714 . 83 VAL CG2 C 21.116 0.52 1 715 . 83 VAL HG2 H 1.007 0.01 2 716 . 83 VAL CG1 C 22.291 0.52 1 717 . 83 VAL HG1 H 1.135 0.01 2 718 . 84 ALA N N 128.055 0.35 1 719 . 84 ALA H H 8.100 0.01 1 720 . 84 ALA CA C 52.393 0.52 1 721 . 84 ALA HA H 4.264 0.01 1 722 . 84 ALA CB C 18.907 0.52 1 723 . 84 ALA HB H 1.372 0.01 1 724 . 85 ARG N N 121.307 0.35 1 725 . 85 ARG H H 8.065 0.01 1 726 . 85 ARG CA C 55.030 0.52 1 727 . 85 ARG HA H 4.362 0.01 1 728 . 85 ARG CB C 29.632 0.52 1 729 . 85 ARG HB2 H 1.550 0.01 2 730 . 85 ARG CG C 27.286 0.52 1 731 . 85 ARG HG2 H 1.397 0.01 2 732 . 85 ARG CD C 43.446 0.52 1 733 . 85 ARG HD3 H 3.057 0.01 2 734 . 85 ARG HD2 H 3.146 0.01 2 735 . 86 PRO CA C 64.229 0.52 1 736 . 86 PRO HA H 4.260 0.01 1 737 . 86 PRO CB C 32.027 0.52 1 738 . 86 PRO HB3 H 1.935 0.01 2 739 . 86 PRO HB2 H 2.271 0.01 2 740 . 86 PRO CG C 27.727 0.52 1 741 . 86 PRO HG2 H 2.057 0.01 2 742 . 86 PRO CD C 50.497 0.52 1 743 . 86 PRO HD2 H 3.704 0.01 2 744 . 87 GLU N N 120.257 0.35 1 745 . 87 GLU H H 8.838 0.01 1 746 . 87 GLU CA C 57.634 0.52 1 747 . 87 GLU HA H 4.090 0.01 1 748 . 87 GLU CB C 29.724 0.52 1 749 . 87 GLU HB3 H 1.934 0.01 2 750 . 87 GLU HB2 H 1.998 0.01 2 751 . 87 GLU CG C 36.688 0.52 1 752 . 87 GLU HG2 H 2.253 0.01 2 753 . 88 GLU N N 121.454 0.35 1 754 . 88 GLU H H 8.169 0.01 1 755 . 88 GLU CA C 56.950 0.52 1 756 . 88 GLU HA H 4.210 0.01 1 757 . 88 GLU CB C 30.538 0.52 1 758 . 88 GLU HB2 H 2.012 0.01 2 759 . 88 GLU CG C 36.688 0.52 1 760 . 88 GLU HG2 H 2.221 0.01 2 761 . 89 ARG CA C 56.950 0.52 1 762 . 89 ARG CB C 30.805 0.52 1 763 . 90 ILE N N 120.504 0.35 1 764 . 90 ILE H H 7.907 0.01 1 765 . 90 ILE CA C 61.419 0.52 1 766 . 90 ILE HA H 3.996 0.01 1 767 . 90 ILE CB C 38.482 0.52 1 768 . 90 ILE HB H 1.792 0.01 1 769 . 90 ILE CG1 C 27.874 0.52 2 770 . 90 ILE HG13 H 0.971 0.01 1 771 . 90 ILE HG12 H 1.440 0.01 1 772 . 90 ILE CD1 C 13.330 0.52 1 773 . 90 ILE HD1 H 0.763 0.01 1 774 . 90 ILE CG2 C 17.443 0.52 1 775 . 90 ILE HG2 H 0.816 0.01 1 776 . 91 LYS N N 125.299 0.35 1 777 . 91 LYS H H 8.168 0.01 1 778 . 91 LYS CA C 56.321 0.52 1 779 . 91 LYS HA H 4.270 0.01 1 780 . 91 LYS CB C 33.125 0.52 1 781 . 91 LYS HB3 H 1.705 0.01 2 782 . 91 LYS HB2 H 1.806 0.01 2 783 . 91 LYS CG C 24.935 0.52 1 784 . 91 LYS HG3 H 1.375 0.01 2 785 . 91 LYS HG2 H 1.429 0.01 2 786 . 91 LYS CD C 29.636 0.52 1 787 . 91 LYS HD2 H 1.640 0.01 2 788 . 91 LYS CE C 41.977 0.52 1 789 . 91 LYS HE2 H 2.948 0.01 2 790 . 92 LYS N N 123.050 0.35 1 791 . 92 LYS H H 8.245 0.01 1 792 . 92 LYS CA C 56.186 0.52 1 793 . 92 LYS HA H 4.242 0.01 1 794 . 92 LYS CB C 33.223 0.52 1 795 . 92 LYS HB2 H 1.667 0.01 2 796 . 93 LYS N N 123.365 0.35 1 797 . 93 LYS H H 8.221 0.01 1 798 . 93 LYS CA C 56.186 0.52 1 799 . 93 LYS HA H 4.218 0.01 1 800 . 93 LYS CB C 33.223 0.52 1 801 . 93 LYS HB2 H 1.649 0.01 2 802 . 93 LYS CG C 24.935 0.52 1 803 . 93 LYS HG2 H 1.308 0.01 2 804 . 93 LYS CD C 29.343 0.52 1 805 . 93 LYS HD2 H 1.621 0.01 2 806 . 93 LYS CE C 41.977 0.52 1 807 . 93 LYS HE2 H 2.926 0.01 2 808 . 94 PHE N N 122.375 0.35 1 809 . 94 PHE H H 8.277 0.01 1 810 . 94 PHE CA C 57.632 0.52 1 811 . 94 PHE HA H 4.583 0.01 1 812 . 94 PHE CB C 39.841 0.52 1 813 . 94 PHE HB3 H 2.973 0.01 2 814 . 94 PHE HB2 H 3.091 0.01 2 815 . 94 PHE HD1 H 7.227 0.01 1 816 . 94 PHE HD2 H 7.227 0.01 1 817 . 95 ARG N N 124.497 0.35 1 818 . 95 ARG H H 8.107 0.01 1 819 . 95 ARG CA C 55.591 0.52 1 820 . 95 ARG HA H 4.312 0.01 1 821 . 95 ARG CB C 31.305 0.52 1 822 . 95 ARG HB2 H 1.939 0.01 2 823 . 95 ARG HG2 H 2.093 0.01 2 824 . 96 LYS N N 126.114 0.35 1 825 . 96 LYS H H 8.308 0.01 1 826 . 96 LYS CA C 54.274 0.52 1 827 . 96 LYS HA H 4.492 0.01 1 828 . 96 LYS CB C 32.510 0.52 1 829 . 96 LYS HB3 H 1.718 0.01 2 830 . 96 LYS HB2 H 1.856 0.01 2 831 . 96 LYS CG C 24.495 0.52 1 832 . 96 LYS HG3 H 1.720 0.01 2 833 . 96 LYS HG2 H 1.525 0.01 2 834 . 96 LYS CD C 29.343 0.52 1 835 . 96 LYS HD2 H 1.708 0.01 2 836 . 96 LYS CE C 41.977 0.52 1 837 . 96 LYS HE2 H 3.005 0.01 2 stop_ save_