data_17600 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the isolated Par-6 PDZ domain ; _BMRB_accession_number 17600 _BMRB_flat_file_name bmr17600.str _Entry_type original _Submission_date 2011-04-25 _Accession_date 2011-04-25 _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 Volkman B. F. . 2 Whitney D. S. . 3 Peterson F. C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 556 "13C chemical shifts" 427 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-12-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17599 'Solution structure of the Par-6 Q144C/L164C' stop_ _Original_release_date 2011-12-01 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'A Conformational Switch in the CRIB-PDZ Module of Par-6' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22078569 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Whitney Dustin S. . 2 Peterson Francis C. . 3 Volkman Brian F. . stop_ _Journal_abbreviation Structure _Journal_volume 19 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1711 _Page_last 1722 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Par-6 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Par-6 $Par-6 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Par-6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Par-6 _Molecular_mass 10926.561 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GSETHRRVRLLKHGSDKPLG FYIRDGTSVRVTASGLEKQP GIFISRLVPGGLAESTGLLA VNDEVIEVNGIEVAGKTLDQ VTDMMVANSSNLIITVKPAN QR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 154 GLY 2 155 SER 3 156 GLU 4 157 THR 5 158 HIS 6 159 ARG 7 160 ARG 8 161 VAL 9 162 ARG 10 163 LEU 11 164 LEU 12 165 LYS 13 166 HIS 14 167 GLY 15 168 SER 16 169 ASP 17 170 LYS 18 171 PRO 19 172 LEU 20 173 GLY 21 174 PHE 22 175 TYR 23 176 ILE 24 177 ARG 25 178 ASP 26 179 GLY 27 180 THR 28 181 SER 29 182 VAL 30 183 ARG 31 184 VAL 32 185 THR 33 186 ALA 34 187 SER 35 188 GLY 36 189 LEU 37 190 GLU 38 191 LYS 39 192 GLN 40 193 PRO 41 194 GLY 42 195 ILE 43 196 PHE 44 197 ILE 45 198 SER 46 199 ARG 47 200 LEU 48 201 VAL 49 202 PRO 50 203 GLY 51 204 GLY 52 205 LEU 53 206 ALA 54 207 GLU 55 208 SER 56 209 THR 57 210 GLY 58 211 LEU 59 212 LEU 60 213 ALA 61 214 VAL 62 215 ASN 63 216 ASP 64 217 GLU 65 218 VAL 66 219 ILE 67 220 GLU 68 221 VAL 69 222 ASN 70 223 GLY 71 224 ILE 72 225 GLU 73 226 VAL 74 227 ALA 75 228 GLY 76 229 LYS 77 230 THR 78 231 LEU 79 232 ASP 80 233 GLN 81 234 VAL 82 235 THR 83 236 ASP 84 237 MET 85 238 MET 86 239 VAL 87 240 ALA 88 241 ASN 89 242 SER 90 243 SER 91 244 ASN 92 245 LEU 93 246 ILE 94 247 ILE 95 248 THR 96 249 VAL 97 250 LYS 98 251 PRO 99 252 ALA 100 253 ASN 101 254 GLN 102 255 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17599 Par-6 98.04 128 99.00 99.00 1.85e-63 PDB 1RY4 "Nmr Structure Of The Crib-Pdz Module Of Par-6" 98.04 128 100.00 100.00 3.86e-64 PDB 1RZX "Crystal Structure Of A Par-6 Pdz-Peptide Complex" 96.08 98 100.00 100.00 1.44e-62 PDB 1X8S "Structure Of The Par-6 Pdz Domain With A Pals1 Internal Ligand" 100.00 102 100.00 100.00 7.77e-66 PDB 2LC6 "Solution Structure Of Par-6 Q144cL164C" 98.04 128 99.00 99.00 1.85e-63 PDB 2LC7 "Solution Structure Of The Isolated Par-6 Pdz Domain" 100.00 102 100.00 100.00 7.77e-66 GB AAD15927 "PAR-6 [Drosophila melanogaster]" 98.04 351 100.00 100.00 4.79e-62 GB AAF48757 "par-6, isoform A [Drosophila melanogaster]" 98.04 351 100.00 100.00 4.79e-62 GB AAL28917 "LD29223p [Drosophila melanogaster]" 98.04 351 100.00 100.00 4.79e-62 GB AAN09592 "par-6, isoform B [Drosophila melanogaster]" 98.04 351 100.00 100.00 4.79e-62 GB ACL90845 "par-6-PA [synthetic construct]" 98.04 351 100.00 100.00 4.79e-62 REF NP_573238 "par-6, isoform A [Drosophila melanogaster]" 98.04 351 100.00 100.00 4.79e-62 REF NP_728094 "par-6, isoform B [Drosophila melanogaster]" 98.04 351 100.00 100.00 4.79e-62 REF XP_001355305 "GA19201 [Drosophila pseudoobscura pseudoobscura]" 98.04 357 99.00 100.00 2.14e-61 REF XP_001963708 "GF21116 [Drosophila ananassae]" 98.04 355 100.00 100.00 4.47e-62 REF XP_001977590 "GG19128 [Drosophila erecta]" 98.04 351 100.00 100.00 6.55e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Par-6 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster Par-6 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 $Par-6 'recombinant technology' . Escherichia coli BL21(DE3) pBH4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '1.0 mM Par-6 (156-255) U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Par-6 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.3 loop_ _Vendor _Address _Electronic_address SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TopSpin _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 2007 loop_ _Vendor _Address _Electronic_address 'Delagio,F. et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address 'C. Bartels' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Cyana _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structural calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _Sample_label $sample save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 53 . mM pH 5.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Par-6 _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 1 156 3 GLU H H 8.479 0.02 1 2 156 3 GLU HA H 4.382 0.02 1 3 156 3 GLU HB2 H 2.085 0.02 2 4 156 3 GLU HB3 H 1.958 0.02 2 5 156 3 GLU HG2 H 2.339 0.02 2 6 156 3 GLU HG3 H 2.226 0.02 2 7 156 3 GLU C C 176.666 0.1 1 8 156 3 GLU CA C 57.276 0.1 1 9 156 3 GLU CB C 29.982 0.1 1 10 156 3 GLU CG C 36.644 0.1 1 11 157 4 THR H H 8.218 0.02 1 12 157 4 THR HA H 4.268 0.02 1 13 157 4 THR HB H 4.222 0.02 1 14 157 4 THR HG2 H 1.201 0.02 1 15 157 4 THR C C 174.343 0.1 1 16 157 4 THR CA C 62.584 0.1 1 17 157 4 THR CB C 70.029 0.1 1 18 157 4 THR CG2 C 22.121 0.1 1 19 157 4 THR N N 114.607 0.1 1 20 158 5 HIS H H 9.076 0.02 1 21 158 5 HIS HA H 5.216 0.02 1 22 158 5 HIS HB2 H 2.978 0.02 2 23 158 5 HIS HB3 H 2.864 0.02 2 24 158 5 HIS HD2 H 6.800 0.02 1 25 158 5 HIS HE1 H 7.965 0.02 1 26 158 5 HIS C C 174.859 0.1 1 27 158 5 HIS CA C 54.879 0.1 1 28 158 5 HIS CB C 32.161 0.1 1 29 158 5 HIS CD2 C 119.102 0.1 1 30 158 5 HIS CE1 C 138.523 0.1 1 31 158 5 HIS N N 121.152 0.1 1 32 159 6 ARG H H 9.083 0.02 1 33 159 6 ARG HA H 4.712 0.02 1 34 159 6 ARG HB2 H 1.726 0.02 1 35 159 6 ARG HB3 H 1.726 0.02 1 36 159 6 ARG HG2 H 1.547 0.02 1 37 159 6 ARG HG3 H 1.547 0.02 1 38 159 6 ARG HD2 H 3.240 0.02 2 39 159 6 ARG HD3 H 3.065 0.02 2 40 159 6 ARG CA C 55.193 0.1 1 41 159 6 ARG CB C 33.775 0.1 1 42 159 6 ARG CG C 27.405 0.1 1 43 159 6 ARG CD C 44.111 0.1 1 44 159 6 ARG N N 120.983 0.1 1 45 160 7 ARG H H 8.813 0.02 1 46 160 7 ARG HA H 4.924 0.02 1 47 160 7 ARG CA C 56.110 0.1 1 48 160 7 ARG CB C 31.655 0.1 1 49 160 7 ARG CG C 28.358 0.1 1 50 160 7 ARG CD C 44.614 0.1 1 51 160 7 ARG N N 125.886 0.1 1 52 161 8 VAL H H 9.257 0.02 1 53 161 8 VAL HA H 4.183 0.02 1 54 161 8 VAL HB H 1.951 0.02 1 55 161 8 VAL HG1 H 0.802 0.02 1 56 161 8 VAL C C 173.937 0.1 1 57 161 8 VAL CA C 61.937 0.1 1 58 161 8 VAL CB C 34.678 0.1 1 59 161 8 VAL CG1 C 21.150 0.1 1 60 161 8 VAL CG2 C 21.150 0.1 1 61 161 8 VAL N N 126.215 0.1 1 62 162 9 ARG H H 8.605 0.02 1 63 162 9 ARG HA H 4.861 0.02 1 64 162 9 ARG HB2 H 1.798 0.02 2 65 162 9 ARG HB3 H 1.686 0.02 2 66 162 9 ARG HG2 H 1.611 0.02 2 67 162 9 ARG HG3 H 1.422 0.02 2 68 162 9 ARG HD2 H 3.206 0.02 1 69 162 9 ARG HD3 H 3.206 0.02 1 70 162 9 ARG CA C 55.504 0.1 1 71 162 9 ARG CB C 31.670 0.1 1 72 162 9 ARG CG C 27.880 0.1 1 73 162 9 ARG CD C 43.932 0.1 1 74 162 9 ARG N N 127.598 0.1 1 75 163 10 LEU H H 8.897 0.02 1 76 163 10 LEU HA H 4.546 0.02 1 77 163 10 LEU HB2 H 1.722 0.02 2 78 163 10 LEU HB3 H 1.445 0.02 2 79 163 10 LEU HG H 1.506 0.02 1 80 163 10 LEU HD1 H 0.792 0.02 2 81 163 10 LEU HD2 H 0.760 0.02 2 82 163 10 LEU C C 174.693 0.1 1 83 163 10 LEU CA C 53.844 0.1 1 84 163 10 LEU CB C 42.507 0.1 1 85 163 10 LEU CG C 27.654 0.1 1 86 163 10 LEU CD1 C 26.653 0.1 1 87 163 10 LEU CD2 C 25.358 0.1 1 88 163 10 LEU N N 128.544 0.1 1 89 164 11 LEU H H 7.945 0.02 1 90 164 11 LEU HA H 4.456 0.02 1 91 164 11 LEU HB2 H 1.511 0.02 2 92 164 11 LEU HB3 H 1.420 0.02 2 93 164 11 LEU HD1 H 0.874 0.02 2 94 164 11 LEU HD2 H 0.876 0.02 2 95 164 11 LEU C C 176.205 0.1 1 96 164 11 LEU CA C 54.699 0.1 1 97 164 11 LEU CB C 42.838 0.1 1 98 164 11 LEU CG C 27.814 0.1 1 99 164 11 LEU CD1 C 25.011 0.1 1 100 164 11 LEU CD2 C 24.711 0.1 1 101 164 11 LEU N N 122.987 0.1 1 102 165 12 LYS H H 8.295 0.02 1 103 165 12 LYS HA H 4.227 0.02 1 104 165 12 LYS HB2 H 1.931 0.02 2 105 165 12 LYS HB3 H 1.768 0.02 2 106 165 12 LYS HG2 H 1.512 0.02 2 107 165 12 LYS HG3 H 1.404 0.02 2 108 165 12 LYS HD2 H 1.717 0.02 1 109 165 12 LYS HD3 H 1.717 0.02 1 110 165 12 LYS HE2 H 3.006 0.02 1 111 165 12 LYS HE3 H 3.006 0.02 1 112 165 12 LYS C C 176.869 0.1 1 113 165 12 LYS CA C 57.405 0.1 1 114 165 12 LYS CB C 34.042 0.1 1 115 165 12 LYS CG C 25.366 0.1 1 116 165 12 LYS CD C 29.890 0.1 1 117 165 12 LYS CE C 42.515 0.1 1 118 165 12 LYS N N 122.727 0.1 1 119 166 13 HIS H H 8.613 0.02 1 120 166 13 HIS HA H 4.579 0.02 1 121 166 13 HIS HB2 H 3.252 0.02 2 122 166 13 HIS HB3 H 3.152 0.02 2 123 166 13 HIS HD2 H 7.160 0.02 1 124 166 13 HIS HE1 H 8.221 0.02 1 125 166 13 HIS C C 175.449 0.1 1 126 166 13 HIS CA C 56.636 0.1 1 127 166 13 HIS CB C 29.690 0.1 1 128 166 13 HIS CD2 C 120.397 0.1 1 129 166 13 HIS CE1 C 137.488 0.1 1 130 166 13 HIS N N 119.897 0.1 1 131 167 14 GLY H H 8.506 0.02 1 132 167 14 GLY HA2 H 4.111 0.02 2 133 167 14 GLY HA3 H 3.821 0.02 2 134 167 14 GLY C C 174.302 0.1 1 135 167 14 GLY CA C 46.091 0.1 1 136 167 14 GLY N N 110.028 0.1 1 137 168 15 SER H H 8.199 0.02 1 138 168 15 SER HA H 4.502 0.02 1 139 168 15 SER HB2 H 3.982 0.02 2 140 168 15 SER HB3 H 3.882 0.02 2 141 168 15 SER C C 174.488 0.1 1 142 168 15 SER CA C 58.645 0.1 1 143 168 15 SER CB C 64.961 0.1 1 144 168 15 SER N N 115.749 0.1 1 145 169 16 ASP H H 8.596 0.02 1 146 169 16 ASP HA H 4.652 0.02 1 147 169 16 ASP HB2 H 2.734 0.02 1 148 169 16 ASP HB3 H 2.734 0.02 1 149 169 16 ASP C C 176.177 0.1 1 150 169 16 ASP CA C 54.389 0.1 1 151 169 16 ASP CB C 40.896 0.1 1 152 169 16 ASP N N 121.837 0.1 1 153 170 17 LYS H H 7.828 0.02 1 154 170 17 LYS HA H 4.614 0.02 1 155 170 17 LYS HB2 H 1.826 0.02 2 156 170 17 LYS HB3 H 1.685 0.02 2 157 170 17 LYS HG2 H 1.531 0.02 1 158 170 17 LYS HG3 H 1.531 0.02 1 159 170 17 LYS HD2 H 1.659 0.02 1 160 170 17 LYS HD3 H 1.659 0.02 1 161 170 17 LYS HE2 H 3.032 0.02 1 162 170 17 LYS HE3 H 3.032 0.02 1 163 170 17 LYS C C 174.059 0.1 1 164 170 17 LYS CA C 54.595 0.1 1 165 170 17 LYS CB C 33.458 0.1 1 166 170 17 LYS CG C 25.366 0.1 1 167 170 17 LYS CD C 29.566 0.1 1 168 170 17 LYS CE C 42.515 0.1 1 169 170 17 LYS N N 121.391 0.1 1 170 171 18 PRO HA H 4.555 0.02 1 171 171 18 PRO HB2 H 2.344 0.02 2 172 171 18 PRO HB3 H 1.946 0.02 2 173 171 18 PRO HG2 H 2.093 0.02 2 174 171 18 PRO HG3 H 1.931 0.02 2 175 171 18 PRO HD2 H 3.855 0.02 2 176 171 18 PRO HD3 H 3.652 0.02 2 177 171 18 PRO C C 177.179 0.1 1 178 171 18 PRO CA C 62.240 0.1 1 179 171 18 PRO CB C 32.480 0.1 1 180 171 18 PRO CG C 27.624 0.1 1 181 171 18 PRO CD C 50.604 0.1 1 182 172 19 LEU H H 8.708 0.02 1 183 172 19 LEU HA H 4.011 0.02 1 184 172 19 LEU HB2 H 1.720 0.02 2 185 172 19 LEU HB3 H 1.398 0.02 2 186 172 19 LEU HG H 1.763 0.02 1 187 172 19 LEU HD1 H 0.887 0.02 2 188 172 19 LEU HD2 H 0.892 0.02 2 189 172 19 LEU C C 179.397 0.1 1 190 172 19 LEU CA C 58.533 0.1 1 191 172 19 LEU CB C 42.199 0.1 1 192 172 19 LEU CG C 27.300 0.1 1 193 172 19 LEU CD1 C 24.072 0.1 1 194 172 19 LEU CD2 C 24.072 0.1 1 195 172 19 LEU N N 120.973 0.1 1 196 173 20 GLY H H 8.301 0.02 1 197 173 20 GLY HA2 H 4.041 0.02 2 198 173 20 GLY HA3 H 3.774 0.02 2 199 173 20 GLY C C 175.733 0.1 1 200 173 20 GLY CA C 47.569 0.1 1 201 173 20 GLY N N 100.202 0.1 1 202 174 21 PHE H H 7.317 0.02 1 203 174 21 PHE HA H 5.343 0.02 1 204 174 21 PHE HB2 H 3.100 0.02 2 205 174 21 PHE HB3 H 2.973 0.02 2 206 174 21 PHE HD1 H 6.847 0.02 1 207 174 21 PHE HD2 H 6.847 0.02 1 208 174 21 PHE HE1 H 6.894 0.02 1 209 174 21 PHE HE2 H 6.894 0.02 1 210 174 21 PHE HZ H 7.209 0.02 1 211 174 21 PHE C C 170.789 0.1 1 212 174 21 PHE CA C 56.208 0.1 1 213 174 21 PHE CB C 41.543 0.1 1 214 174 21 PHE CD1 C 132.050 0.1 1 215 174 21 PHE CE1 C 130.496 0.1 1 216 174 21 PHE CZ C 129.978 0.1 1 217 174 21 PHE N N 116.658 0.1 1 218 175 22 TYR H H 8.300 0.02 1 219 175 22 TYR HA H 4.806 0.02 1 220 175 22 TYR HB2 H 3.216 0.02 2 221 175 22 TYR HB3 H 2.660 0.02 2 222 175 22 TYR HD1 H 6.989 0.02 1 223 175 22 TYR HD2 H 6.989 0.02 1 224 175 22 TYR HE1 H 6.668 0.02 1 225 175 22 TYR HE2 H 6.668 0.02 1 226 175 22 TYR C C 175.523 0.1 1 227 175 22 TYR CA C 56.436 0.1 1 228 175 22 TYR CB C 41.543 0.1 1 229 175 22 TYR CD1 C 133.085 0.1 1 230 175 22 TYR CE1 C 118.066 0.1 1 231 175 22 TYR N N 119.117 0.1 1 232 176 23 ILE H H 8.627 0.02 1 233 176 23 ILE HA H 5.662 0.02 1 234 176 23 ILE HB H 1.836 0.02 1 235 176 23 ILE HG12 H 1.449 0.02 2 236 176 23 ILE HG13 H 1.110 0.02 2 237 176 23 ILE HG2 H 0.882 0.02 1 238 176 23 ILE HD1 H 0.826 0.02 1 239 176 23 ILE C C 174.581 0.1 1 240 176 23 ILE CA C 59.671 0.1 1 241 176 23 ILE CB C 42.681 0.1 1 242 176 23 ILE CG1 C 25.035 0.1 1 243 176 23 ILE CG2 C 18.884 0.1 1 244 176 23 ILE CD1 C 14.676 0.1 1 245 176 23 ILE N N 113.670 0.1 1 246 177 24 ARG H H 9.398 0.02 1 247 177 24 ARG HA H 5.014 0.02 1 248 177 24 ARG HB2 H 2.078 0.02 2 249 177 24 ARG HB3 H 1.848 0.02 2 250 177 24 ARG HG2 H 1.689 0.02 2 251 177 24 ARG HG3 H 1.450 0.02 2 252 177 24 ARG HD2 H 3.274 0.02 2 253 177 24 ARG HD3 H 3.120 0.02 2 254 177 24 ARG C C 174.546 0.1 1 255 177 24 ARG CA C 54.389 0.1 1 256 177 24 ARG CB C 33.879 0.1 1 257 177 24 ARG CG C 27.642 0.1 1 258 177 24 ARG CD C 43.486 0.1 1 259 177 24 ARG N N 116.528 0.1 1 260 178 25 ASP H H 8.668 0.02 1 261 178 25 ASP HA H 5.408 0.02 1 262 178 25 ASP HB2 H 2.834 0.02 1 263 178 25 ASP HB3 H 2.834 0.02 1 264 178 25 ASP C C 176.979 0.1 1 265 178 25 ASP CA C 54.162 0.1 1 266 178 25 ASP CB C 42.838 0.1 1 267 178 25 ASP N N 120.129 0.1 1 268 179 26 GLY H H 8.423 0.02 1 269 179 26 GLY HA2 H 4.315 0.02 2 270 179 26 GLY HA3 H 3.943 0.02 2 271 179 26 GLY C C 172.831 0.1 1 272 179 26 GLY CA C 46.091 0.1 1 273 179 26 GLY N N 107.569 0.1 1 274 180 27 THR H H 8.339 0.02 1 275 180 27 THR HA H 4.988 0.02 1 276 180 27 THR HB H 3.901 0.02 1 277 180 27 THR HG2 H 1.102 0.02 1 278 180 27 THR C C 173.771 0.1 1 279 180 27 THR CA C 61.665 0.1 1 280 180 27 THR CB C 71.971 0.1 1 281 180 27 THR CG2 C 22.121 0.1 1 282 180 27 THR N N 115.396 0.1 1 283 181 28 SER H H 9.304 0.02 1 284 181 28 SER HA H 4.726 0.02 1 285 181 28 SER HB2 H 3.870 0.02 1 286 181 28 SER HB3 H 3.870 0.02 1 287 181 28 SER C C 173.658 0.1 1 288 181 28 SER CA C 57.459 0.1 1 289 181 28 SER CB C 65.174 0.1 1 290 181 28 SER N N 120.597 0.1 1 291 182 29 VAL H H 8.507 0.02 1 292 182 29 VAL HA H 4.765 0.02 1 293 182 29 VAL HB H 1.964 0.02 1 294 182 29 VAL HG1 H 0.873 0.02 2 295 182 29 VAL HG2 H 0.923 0.02 2 296 182 29 VAL C C 175.818 0.1 1 297 182 29 VAL CA C 62.202 0.1 1 298 182 29 VAL CB C 34.158 0.1 1 299 182 29 VAL CG1 C 22.121 0.1 1 300 182 29 VAL CG2 C 21.474 0.1 1 301 182 29 VAL N N 121.815 0.1 1 302 183 30 ARG H H 8.926 0.02 1 303 183 30 ARG HA H 4.713 0.02 1 304 183 30 ARG HB2 H 1.801 0.02 2 305 183 30 ARG HB3 H 1.730 0.02 2 306 183 30 ARG HG2 H 1.552 0.02 1 307 183 30 ARG HG3 H 1.552 0.02 1 308 183 30 ARG HD2 H 3.167 0.02 1 309 183 30 ARG HD3 H 3.167 0.02 1 310 183 30 ARG C C 174.646 0.1 1 311 183 30 ARG CA C 54.977 0.1 1 312 183 30 ARG CB C 33.127 0.1 1 313 183 30 ARG CG C 27.397 0.1 1 314 183 30 ARG CD C 43.737 0.1 1 315 183 30 ARG N N 126.419 0.1 1 316 184 31 VAL H H 8.619 0.02 1 317 184 31 VAL HA H 4.234 0.02 1 318 184 31 VAL HB H 2.004 0.02 1 319 184 31 VAL HG1 H 0.951 0.02 2 320 184 31 VAL HG2 H 0.923 0.02 2 321 184 31 VAL C C 176.463 0.1 1 322 184 31 VAL CA C 63.370 0.1 1 323 184 31 VAL CB C 32.484 0.1 1 324 184 31 VAL CG1 C 21.150 0.1 1 325 184 31 VAL CG2 C 21.949 0.1 1 326 184 31 VAL N N 123.882 0.1 1 327 185 32 THR H H 8.377 0.02 1 328 185 32 THR HA H 4.823 0.02 1 329 185 32 THR HB H 4.556 0.02 1 330 185 32 THR HG2 H 1.141 0.02 1 331 185 32 THR C C 175.357 0.1 1 332 185 32 THR CA C 60.451 0.1 1 333 185 32 THR CB C 72.164 0.1 1 334 185 32 THR CG2 C 21.354 0.1 1 335 185 32 THR N N 119.442 0.1 1 336 186 33 ALA H H 8.836 0.02 1 337 186 33 ALA HA H 4.197 0.02 1 338 186 33 ALA HB H 1.490 0.02 1 339 186 33 ALA C C 178.823 0.1 1 340 186 33 ALA CA C 54.815 0.1 1 341 186 33 ALA CB C 18.510 0.1 1 342 186 33 ALA N N 122.523 0.1 1 343 187 34 SER H H 8.105 0.02 1 344 187 34 SER HA H 4.556 0.02 1 345 187 34 SER HB2 H 3.867 0.02 1 346 187 34 SER HB3 H 3.867 0.02 1 347 187 34 SER C C 174.011 0.1 1 348 187 34 SER CA C 58.590 0.1 1 349 187 34 SER CB C 64.337 0.1 1 350 187 34 SER N N 110.279 0.1 1 351 188 35 GLY H H 7.627 0.02 1 352 188 35 GLY HA2 H 4.410 0.02 2 353 188 35 GLY HA3 H 3.806 0.02 2 354 188 35 GLY C C 172.812 0.1 1 355 188 35 GLY CA C 45.344 0.1 1 356 188 35 GLY N N 110.511 0.1 1 357 189 36 LEU H H 8.428 0.02 1 358 189 36 LEU HA H 4.845 0.02 1 359 189 36 LEU HB2 H 1.656 0.02 2 360 189 36 LEU HB3 H 1.400 0.02 2 361 189 36 LEU HG H 1.610 0.02 1 362 189 36 LEU HD1 H 0.843 0.02 1 363 189 36 LEU C C 177.135 0.1 1 364 189 36 LEU CA C 55.133 0.1 1 365 189 36 LEU CB C 43.162 0.1 1 366 189 36 LEU CG C 27.631 0.1 1 367 189 36 LEU CD1 C 24.719 0.1 1 368 189 36 LEU CD2 C 25.035 0.1 1 369 189 36 LEU N N 123.108 0.1 1 370 190 37 GLU H H 9.083 0.02 1 371 190 37 GLU HA H 4.639 0.02 1 372 190 37 GLU HB2 H 2.025 0.02 2 373 190 37 GLU HB3 H 1.872 0.02 2 374 190 37 GLU HG2 H 2.225 0.02 2 375 190 37 GLU HG3 H 2.160 0.02 2 376 190 37 GLU C C 175.302 0.1 1 377 190 37 GLU CA C 55.449 0.1 1 378 190 37 GLU CB C 33.474 0.1 1 379 190 37 GLU CG C 36.688 0.1 1 380 190 37 GLU N N 124.424 0.1 1 381 191 38 LYS H H 8.621 0.02 1 382 191 38 LYS HA H 5.060 0.02 1 383 191 38 LYS HB2 H 1.739 0.02 2 384 191 38 LYS HB3 H 1.653 0.02 2 385 191 38 LYS HG2 H 1.436 0.02 2 386 191 38 LYS HG3 H 1.313 0.02 2 387 191 38 LYS HD2 H 1.650 0.02 1 388 191 38 LYS HD3 H 1.650 0.02 1 389 191 38 LYS HE2 H 2.925 0.02 1 390 191 38 LYS HE3 H 2.925 0.02 1 391 191 38 LYS C C 176.223 0.1 1 392 191 38 LYS CA C 56.072 0.1 1 393 191 38 LYS CB C 34.239 0.1 1 394 191 38 LYS CG C 25.690 0.1 1 395 191 38 LYS CD C 29.896 0.1 1 396 191 38 LYS CE C 42.191 0.1 1 397 191 38 LYS N N 123.872 0.1 1 398 192 39 GLN H H 8.767 0.02 1 399 192 39 GLN HA H 4.995 0.02 1 400 192 39 GLN HB2 H 2.159 0.02 2 401 192 39 GLN HB3 H 1.907 0.02 2 402 192 39 GLN HG2 H 2.344 0.02 1 403 192 39 GLN HG3 H 2.344 0.02 1 404 192 39 GLN HE21 H 7.592 0.02 2 405 192 39 GLN HE22 H 6.788 0.02 2 406 192 39 GLN C C 172.800 0.1 1 407 192 39 GLN CA C 53.191 0.1 1 408 192 39 GLN CB C 31.190 0.1 1 409 192 39 GLN CG C 33.131 0.1 1 410 192 39 GLN N N 122.700 0.1 1 411 192 39 GLN NE2 N 111.786 0.1 1 412 193 40 PRO HA H 4.994 0.02 1 413 193 40 PRO HB2 H 2.516 0.02 2 414 193 40 PRO HB3 H 2.069 0.02 2 415 193 40 PRO HG2 H 2.164 0.02 2 416 193 40 PRO HG3 H 2.080 0.02 2 417 193 40 PRO HD2 H 3.875 0.02 2 418 193 40 PRO HD3 H 3.775 0.02 2 419 193 40 PRO C C 177.093 0.1 1 420 193 40 PRO CA C 63.370 0.1 1 421 193 40 PRO CB C 33.246 0.1 1 422 193 40 PRO CG C 27.950 0.1 1 423 193 40 PRO CD C 51.251 0.1 1 424 194 41 GLY H H 8.469 0.02 1 425 194 41 GLY HA2 H 4.391 0.02 2 426 194 41 GLY HA3 H 3.609 0.02 2 427 194 41 GLY C C 171.290 0.1 1 428 194 41 GLY CA C 45.344 0.1 1 429 194 41 GLY N N 108.711 0.1 1 430 195 42 ILE H H 8.492 0.02 1 431 195 42 ILE HA H 4.891 0.02 1 432 195 42 ILE HB H 1.831 0.02 1 433 195 42 ILE HG12 H 1.511 0.02 2 434 195 42 ILE HG13 H 1.267 0.02 2 435 195 42 ILE HG2 H 0.793 0.02 1 436 195 42 ILE HD1 H 0.765 0.02 1 437 195 42 ILE C C 174.531 0.1 1 438 195 42 ILE CA C 58.480 0.1 1 439 195 42 ILE CB C 38.954 0.1 1 440 195 42 ILE CG1 C 27.300 0.1 1 441 195 42 ILE CG2 C 18.355 0.1 1 442 195 42 ILE CD1 C 10.739 0.1 1 443 195 42 ILE N N 122.116 0.1 1 444 196 43 PHE H H 9.068 0.02 1 445 196 43 PHE HA H 5.445 0.02 1 446 196 43 PHE HB2 H 2.778 0.02 2 447 196 43 PHE HB3 H 2.447 0.02 2 448 196 43 PHE HD1 H 6.987 0.02 1 449 196 43 PHE HD2 H 6.987 0.02 1 450 196 43 PHE HE1 H 7.017 0.02 1 451 196 43 PHE HE2 H 7.017 0.02 1 452 196 43 PHE C C 176.048 0.1 1 453 196 43 PHE CA C 55.854 0.1 1 454 196 43 PHE CB C 43.932 0.1 1 455 196 43 PHE CD1 C 132.050 0.1 1 456 196 43 PHE CE1 C 130.496 0.1 1 457 196 43 PHE N N 122.950 0.1 1 458 197 44 ILE H H 9.005 0.02 1 459 197 44 ILE HA H 4.482 0.02 1 460 197 44 ILE HB H 2.367 0.02 1 461 197 44 ILE HG12 H 1.542 0.02 2 462 197 44 ILE HG13 H 1.177 0.02 2 463 197 44 ILE HG2 H 0.856 0.02 1 464 197 44 ILE HD1 H 0.529 0.02 1 465 197 44 ILE C C 176.985 0.1 1 466 197 44 ILE CA C 61.937 0.1 1 467 197 44 ILE CB C 36.688 0.1 1 468 197 44 ILE CG1 C 27.934 0.1 1 469 197 44 ILE CG2 C 17.446 0.1 1 470 197 44 ILE CD1 C 12.525 0.1 1 471 197 44 ILE N N 120.875 0.1 1 472 198 45 SER H H 9.653 0.02 1 473 198 45 SER HA H 4.794 0.02 1 474 198 45 SER HB2 H 3.974 0.02 2 475 198 45 SER HB3 H 3.489 0.02 2 476 198 45 SER C C 175.139 0.1 1 477 198 45 SER CA C 58.376 0.1 1 478 198 45 SER CB C 64.888 0.1 1 479 198 45 SER N N 125.501 0.1 1 480 199 46 ARG H H 7.269 0.02 1 481 199 46 ARG HA H 4.449 0.02 1 482 199 46 ARG HB2 H 1.985 0.02 2 483 199 46 ARG HB3 H 1.692 0.02 2 484 199 46 ARG HG2 H 1.615 0.02 2 485 199 46 ARG HG3 H 1.433 0.02 2 486 199 46 ARG HD2 H 3.093 0.02 2 487 199 46 ARG HD3 H 2.979 0.02 2 488 199 46 ARG C C 173.729 0.1 1 489 199 46 ARG CA C 56.822 0.1 1 490 199 46 ARG CB C 34.105 0.1 1 491 199 46 ARG CG C 27.750 0.1 1 492 199 46 ARG CD C 43.809 0.1 1 493 199 46 ARG N N 119.702 0.1 1 494 200 47 LEU H H 8.948 0.02 1 495 200 47 LEU HA H 4.987 0.02 1 496 200 47 LEU HB2 H 1.781 0.02 2 497 200 47 LEU HB3 H 1.382 0.02 2 498 200 47 LEU HG H 1.548 0.02 1 499 200 47 LEU HD1 H 0.859 0.02 2 500 200 47 LEU HD2 H 0.774 0.02 2 501 200 47 LEU C C 176.105 0.1 1 502 200 47 LEU CA C 53.648 0.1 1 503 200 47 LEU CB C 44.457 0.1 1 504 200 47 LEU CG C 28.278 0.1 1 505 200 47 LEU CD1 C 26.329 0.1 1 506 200 47 LEU CD2 C 25.042 0.1 1 507 200 47 LEU N N 124.841 0.1 1 508 201 48 VAL H H 7.923 0.02 1 509 201 48 VAL HA H 4.271 0.02 1 510 201 48 VAL HB H 1.828 0.02 1 511 201 48 VAL HG1 H 1.031 0.02 2 512 201 48 VAL HG2 H 0.956 0.02 2 513 201 48 VAL C C 174.746 0.1 1 514 201 48 VAL CA C 60.803 0.1 1 515 201 48 VAL CB C 34.102 0.1 1 516 201 48 VAL CG1 C 20.171 0.1 1 517 201 48 VAL CG2 C 21.467 0.1 1 518 201 48 VAL N N 123.566 0.1 1 519 202 49 PRO HA H 4.550 0.02 1 520 202 49 PRO HB2 H 2.414 0.02 2 521 202 49 PRO HB3 H 1.957 0.02 2 522 202 49 PRO HG2 H 2.200 0.02 2 523 202 49 PRO HG3 H 2.058 0.02 2 524 202 49 PRO HD2 H 4.183 0.02 2 525 202 49 PRO HD3 H 3.742 0.02 2 526 202 49 PRO C C 178.137 0.1 1 527 202 49 PRO CA C 64.165 0.1 1 528 202 49 PRO CB C 31.837 0.1 1 529 202 49 PRO CG C 28.278 0.1 1 530 202 49 PRO CD C 52.221 0.1 1 531 203 50 GLY H H 9.501 0.02 1 532 203 50 GLY HA2 H 4.205 0.02 2 533 203 50 GLY HA3 H 3.784 0.02 2 534 203 50 GLY C C 175.318 0.1 1 535 203 50 GLY CA C 45.978 0.1 1 536 203 50 GLY N N 114.459 0.1 1 537 204 51 GLY H H 7.957 0.02 1 538 204 51 GLY HA2 H 4.315 0.02 2 539 204 51 GLY HA3 H 3.882 0.02 2 540 204 51 GLY C C 174.453 0.1 1 541 204 51 GLY CA C 44.906 0.1 1 542 204 51 GLY N N 105.305 0.1 1 543 205 52 LEU H H 8.945 0.02 1 544 205 52 LEU HA H 4.049 0.02 1 545 205 52 LEU HB2 H 1.740 0.02 2 546 205 52 LEU HB3 H 1.672 0.02 2 547 205 52 LEU HG H 1.575 0.02 1 548 205 52 LEU C C 180.312 0.1 1 549 205 52 LEU CA C 58.027 0.1 1 550 205 52 LEU CB C 42.454 0.1 1 551 205 52 LEU CG C 27.300 0.1 1 552 205 52 LEU CD1 C 24.711 0.1 1 553 205 52 LEU CD2 C 25.358 0.1 1 554 205 52 LEU N N 119.907 0.1 1 555 206 53 ALA H H 8.247 0.02 1 556 206 53 ALA HA H 3.936 0.02 1 557 206 53 ALA HB H 1.365 0.02 1 558 206 53 ALA C C 180.248 0.1 1 559 206 53 ALA CA C 55.786 0.1 1 560 206 53 ALA CB C 19.400 0.1 1 561 206 53 ALA N N 119.748 0.1 1 562 207 54 GLU H H 9.503 0.02 1 563 207 54 GLU HA H 3.950 0.02 1 564 207 54 GLU HB2 H 2.183 0.02 2 565 207 54 GLU HB3 H 2.095 0.02 2 566 207 54 GLU HG2 H 2.238 0.02 1 567 207 54 GLU HG3 H 2.238 0.02 1 568 207 54 GLU C C 178.509 0.1 1 569 207 54 GLU CA C 60.122 0.1 1 570 207 54 GLU CB C 30.537 0.1 1 571 207 54 GLU CG C 37.012 0.1 1 572 207 54 GLU N N 121.896 0.1 1 573 208 55 SER H H 8.069 0.02 1 574 208 55 SER HA H 4.310 0.02 1 575 208 55 SER HB2 H 4.063 0.02 1 576 208 55 SER HB3 H 4.063 0.02 1 577 208 55 SER C C 175.891 0.1 1 578 208 55 SER CA C 61.551 0.1 1 579 208 55 SER CB C 63.663 0.1 1 580 208 55 SER N N 114.069 0.1 1 581 209 56 THR H H 7.549 0.02 1 582 209 56 THR HA H 4.248 0.02 1 583 209 56 THR HB H 4.199 0.02 1 584 209 56 THR HG2 H 1.453 0.02 1 585 209 56 THR C C 176.649 0.1 1 586 209 56 THR CA C 63.824 0.1 1 587 209 56 THR CB C 71.324 0.1 1 588 209 56 THR CG2 C 22.121 0.1 1 589 209 56 THR N N 109.555 0.1 1 590 210 57 GLY H H 7.544 0.02 1 591 210 57 GLY HA2 H 4.098 0.02 2 592 210 57 GLY HA3 H 4.027 0.02 2 593 210 57 GLY C C 174.975 0.1 1 594 210 57 GLY CA C 46.723 0.1 1 595 210 57 GLY N N 108.757 0.1 1 596 211 58 LEU H H 7.829 0.02 1 597 211 58 LEU HA H 4.440 0.02 1 598 211 58 LEU HB2 H 1.603 0.02 2 599 211 58 LEU HB3 H 1.431 0.02 2 600 211 58 LEU HG H 1.021 0.02 1 601 211 58 LEU HD2 H 0.876 0.02 1 602 211 58 LEU C C 175.726 0.1 1 603 211 58 LEU CA C 55.182 0.1 1 604 211 58 LEU CB C 45.750 0.1 1 605 211 58 LEU CG C 26.660 0.1 1 606 211 58 LEU CD1 C 22.445 0.1 1 607 211 58 LEU CD2 C 22.777 0.1 1 608 211 58 LEU N N 118.308 0.1 1 609 212 59 LEU H H 7.669 0.02 1 610 212 59 LEU HA H 4.744 0.02 1 611 212 59 LEU HB2 H 1.281 0.02 2 612 212 59 LEU HB3 H 1.041 0.02 2 613 212 59 LEU HG H 1.363 0.02 1 614 212 59 LEU HD1 H 0.654 0.02 2 615 212 59 LEU HD2 H 0.434 0.02 2 616 212 59 LEU C C 174.703 0.1 1 617 212 59 LEU CA C 53.243 0.1 1 618 212 59 LEU CB C 47.046 0.1 1 619 212 59 LEU CG C 26.653 0.1 1 620 212 59 LEU CD1 C 24.719 0.1 1 621 212 59 LEU CD2 C 26.006 0.1 1 622 212 59 LEU N N 117.920 0.1 1 623 213 60 ALA H H 9.071 0.02 1 624 213 60 ALA HA H 4.581 0.02 1 625 213 60 ALA HB H 1.363 0.02 1 626 213 60 ALA C C 176.249 0.1 1 627 213 60 ALA CA C 50.607 0.1 1 628 213 60 ALA CB C 22.769 0.1 1 629 213 60 ALA N N 126.297 0.1 1 630 214 61 VAL H H 8.222 0.02 1 631 214 61 VAL HA H 3.261 0.02 1 632 214 61 VAL HB H 1.859 0.02 1 633 214 61 VAL HG1 H 0.969 0.02 1 634 214 61 VAL C C 176.663 0.1 1 635 214 61 VAL CA C 65.497 0.1 1 636 214 61 VAL CB C 31.834 0.1 1 637 214 61 VAL CG1 C 23.101 0.1 1 638 214 61 VAL CG2 C 21.474 0.1 1 639 214 61 VAL N N 118.870 0.1 1 640 215 62 ASN H H 9.117 0.02 1 641 215 62 ASN HA H 4.278 0.02 1 642 215 62 ASN HB2 H 3.513 0.02 2 643 215 62 ASN HB3 H 3.003 0.02 2 644 215 62 ASN HD21 H 7.647 0.02 2 645 215 62 ASN HD22 H 6.990 0.02 2 646 215 62 ASN C C 175.261 0.1 1 647 215 62 ASN CA C 56.777 0.1 1 648 215 62 ASN CB C 37.267 0.1 1 649 215 62 ASN N N 116.677 0.1 1 650 215 62 ASN ND2 N 114.611 0.1 1 651 216 63 ASP H H 8.200 0.02 1 652 216 63 ASP HA H 4.591 0.02 1 653 216 63 ASP HB2 H 2.847 0.02 2 654 216 63 ASP HB3 H 2.209 0.02 2 655 216 63 ASP C C 175.583 0.1 1 656 216 63 ASP CA C 56.777 0.1 1 657 216 63 ASP CB C 41.184 0.1 1 658 216 63 ASP N N 122.820 0.1 1 659 217 64 GLU H H 8.328 0.02 1 660 217 64 GLU HA H 4.389 0.02 1 661 217 64 GLU HB2 H 1.890 0.02 2 662 217 64 GLU HB3 H 1.803 0.02 2 663 217 64 GLU HG2 H 1.557 0.02 2 664 217 64 GLU HG3 H 1.310 0.02 2 665 217 64 GLU C C 176.555 0.1 1 666 217 64 GLU CA C 54.773 0.1 1 667 217 64 GLU CB C 31.739 0.1 1 668 217 64 GLU CG C 35.686 0.1 1 669 217 64 GLU N N 122.885 0.1 1 670 218 65 VAL H H 8.911 0.02 1 671 218 65 VAL HA H 3.773 0.02 1 672 218 65 VAL HB H 1.710 0.02 1 673 218 65 VAL HG1 H 0.671 0.02 1 674 218 65 VAL C C 173.956 0.1 1 675 218 65 VAL CA C 63.483 0.1 1 676 218 65 VAL CB C 32.161 0.1 1 677 218 65 VAL CG1 C 21.497 0.1 1 678 218 65 VAL CG2 C 21.797 0.1 1 679 218 65 VAL N N 128.099 0.1 1 680 219 66 ILE H H 8.958 0.02 1 681 219 66 ILE HA H 4.375 0.02 1 682 219 66 ILE HB H 1.590 0.02 1 683 219 66 ILE HG12 H 1.105 0.02 2 684 219 66 ILE HG13 H 0.745 0.02 2 685 219 66 ILE HG2 H 0.841 0.02 1 686 219 66 ILE HD1 H 0.405 0.02 1 687 219 66 ILE C C 178.067 0.1 1 688 219 66 ILE CA C 60.710 0.1 1 689 219 66 ILE CB C 38.982 0.1 1 690 219 66 ILE CG1 C 26.653 0.1 1 691 219 66 ILE CG2 C 17.787 0.1 1 692 219 66 ILE CD1 C 10.144 0.1 1 693 219 66 ILE N N 123.191 0.1 1 694 220 67 GLU H H 7.709 0.02 1 695 220 67 GLU HA H 5.219 0.02 1 696 220 67 GLU HB2 H 1.852 0.02 1 697 220 67 GLU HB3 H 1.852 0.02 1 698 220 67 GLU HG2 H 1.943 0.02 2 699 220 67 GLU HG3 H 1.547 0.02 2 700 220 67 GLU C C 175.320 0.1 1 701 220 67 GLU CA C 54.902 0.1 1 702 220 67 GLU CB C 36.240 0.1 1 703 220 67 GLU CG C 36.040 0.1 1 704 220 67 GLU N N 117.577 0.1 1 705 221 68 VAL H H 8.615 0.02 1 706 221 68 VAL HA H 4.361 0.02 1 707 221 68 VAL HB H 1.966 0.02 1 708 221 68 VAL HG1 H 0.843 0.02 2 709 221 68 VAL HG2 H 0.799 0.02 2 710 221 68 VAL C C 174.951 0.1 1 711 221 68 VAL CA C 62.233 0.1 1 712 221 68 VAL CB C 34.342 0.1 1 713 221 68 VAL CG1 C 22.106 0.1 1 714 221 68 VAL CG2 C 21.474 0.1 1 715 221 68 VAL N N 120.315 0.1 1 716 222 69 ASN H H 9.877 0.02 1 717 222 69 ASN HA H 4.002 0.02 1 718 222 69 ASN HB2 H 2.998 0.02 2 719 222 69 ASN HB3 H 2.470 0.02 2 720 222 69 ASN HD21 H 7.498 0.02 2 721 222 69 ASN HD22 H 7.323 0.02 2 722 222 69 ASN C C 174.667 0.1 1 723 222 69 ASN CA C 55.640 0.1 1 724 222 69 ASN CB C 37.185 0.1 1 725 222 69 ASN N N 128.072 0.1 1 726 222 69 ASN ND2 N 110.757 0.1 1 727 223 70 GLY H H 8.246 0.02 1 728 223 70 GLY HA2 H 4.035 0.02 2 729 223 70 GLY HA3 H 3.624 0.02 2 730 223 70 GLY C C 173.273 0.1 1 731 223 70 GLY CA C 45.751 0.1 1 732 223 70 GLY N N 101.325 0.1 1 733 224 71 ILE H H 7.918 0.02 1 734 224 71 ILE HA H 4.248 0.02 1 735 224 71 ILE HB H 2.076 0.02 1 736 224 71 ILE HG12 H 1.481 0.02 2 737 224 71 ILE HG13 H 1.205 0.02 2 738 224 71 ILE HG2 H 0.941 0.02 1 739 224 71 ILE HD1 H 0.848 0.02 1 740 224 71 ILE C C 176.112 0.1 1 741 224 71 ILE CA C 59.671 0.1 1 742 224 71 ILE CB C 37.985 0.1 1 743 224 71 ILE CG1 C 26.984 0.1 1 744 224 71 ILE CG2 C 17.589 0.1 1 745 224 71 ILE CD1 C 11.535 0.1 1 746 224 71 ILE N N 122.468 0.1 1 747 225 72 GLU H H 8.892 0.02 1 748 225 72 GLU HA H 4.491 0.02 1 749 225 72 GLU HB2 H 2.240 0.02 2 750 225 72 GLU HB3 H 2.154 0.02 2 751 225 72 GLU HG2 H 2.524 0.02 2 752 225 72 GLU HG3 H 2.345 0.02 2 753 225 72 GLU C C 177.214 0.1 1 754 225 72 GLU CA C 57.572 0.1 1 755 225 72 GLU CB C 30.219 0.1 1 756 225 72 GLU CG C 37.012 0.1 1 757 225 72 GLU N N 126.707 0.1 1 758 226 73 VAL H H 7.379 0.02 1 759 226 73 VAL HA H 4.049 0.02 1 760 226 73 VAL HB H 2.267 0.02 1 761 226 73 VAL HG1 H 0.753 0.02 2 762 226 73 VAL HG2 H 0.689 0.02 2 763 226 73 VAL C C 175.578 0.1 1 764 226 73 VAL CA C 62.126 0.1 1 765 226 73 VAL CB C 31.514 0.1 1 766 226 73 VAL CG1 C 22.777 0.1 1 767 226 73 VAL CG2 C 19.855 0.1 1 768 226 73 VAL N N 112.835 0.1 1 769 227 74 ALA H H 7.589 0.02 1 770 227 74 ALA HA H 4.192 0.02 1 771 227 74 ALA HB H 1.369 0.02 1 772 227 74 ALA C C 178.547 0.1 1 773 227 74 ALA CA C 53.821 0.1 1 774 227 74 ALA CB C 18.237 0.1 1 775 227 74 ALA N N 124.971 0.1 1 776 228 75 GLY H H 8.853 0.02 1 777 228 75 GLY HA2 H 4.207 0.02 2 778 228 75 GLY HA3 H 3.722 0.02 2 779 228 75 GLY C C 174.638 0.1 1 780 228 75 GLY CA C 45.658 0.1 1 781 228 75 GLY N N 111.476 0.1 1 782 229 76 LYS H H 8.007 0.02 1 783 229 76 LYS HA H 4.740 0.02 1 784 229 76 LYS HB2 H 1.962 0.02 2 785 229 76 LYS HB3 H 1.835 0.02 2 786 229 76 LYS HG2 H 1.298 0.02 1 787 229 76 LYS HG3 H 1.298 0.02 1 788 229 76 LYS HD2 H 1.586 0.02 2 789 229 76 LYS HD3 H 1.469 0.02 2 790 229 76 LYS HE2 H 2.984 0.02 1 791 229 76 LYS HE3 H 2.984 0.02 1 792 229 76 LYS C C 176.869 0.1 1 793 229 76 LYS CA C 55.269 0.1 1 794 229 76 LYS CB C 34.730 0.1 1 795 229 76 LYS CG C 26.400 0.1 1 796 229 76 LYS CD C 29.890 0.1 1 797 229 76 LYS CE C 42.561 0.1 1 798 229 76 LYS N N 120.203 0.1 1 799 230 77 THR H H 8.597 0.02 1 800 230 77 THR HA H 4.489 0.02 1 801 230 77 THR HB H 4.759 0.02 1 802 230 77 THR HG2 H 1.342 0.02 1 803 230 77 THR C C 175.776 0.1 1 804 230 77 THR CA C 60.693 0.1 1 805 230 77 THR CB C 71.327 0.1 1 806 230 77 THR CG2 C 22.445 0.1 1 807 230 77 THR N N 111.142 0.1 1 808 231 78 LEU H H 9.031 0.02 1 809 231 78 LEU HA H 3.903 0.02 1 810 231 78 LEU HB2 H 1.776 0.02 1 811 231 78 LEU HB3 H 1.776 0.02 1 812 231 78 LEU HG H 1.709 0.02 1 813 231 78 LEU HD2 H 0.926 0.02 1 814 231 78 LEU C C 179.911 0.1 1 815 231 78 LEU CA C 59.050 0.1 1 816 231 78 LEU CB C 42.226 0.1 1 817 231 78 LEU CG C 27.300 0.1 1 818 231 78 LEU CD1 C 25.035 0.1 1 819 231 78 LEU CD2 C 24.719 0.1 1 820 231 78 LEU N N 121.363 0.1 1 821 232 79 ASP H H 8.433 0.02 1 822 232 79 ASP HA H 4.373 0.02 1 823 232 79 ASP HB2 H 2.739 0.02 2 824 232 79 ASP HB3 H 2.525 0.02 2 825 232 79 ASP C C 178.399 0.1 1 826 232 79 ASP CA C 57.824 0.1 1 827 232 79 ASP CB C 40.573 0.1 1 828 232 79 ASP N N 117.816 0.1 1 829 233 80 GLN H H 7.729 0.02 1 830 233 80 GLN HA H 4.129 0.02 1 831 233 80 GLN HB2 H 2.541 0.02 2 832 233 80 GLN HB3 H 1.912 0.02 2 833 233 80 GLN HG2 H 2.536 0.02 2 834 233 80 GLN HG3 H 2.509 0.02 2 835 233 80 GLN HE21 H 7.575 0.02 2 836 233 80 GLN HE22 H 6.833 0.02 2 837 233 80 GLN C C 180.055 0.1 1 838 233 80 GLN CA C 59.050 0.1 1 839 233 80 GLN CB C 29.243 0.1 1 840 233 80 GLN CG C 35.069 0.1 1 841 233 80 GLN N N 119.368 0.1 1 842 233 80 GLN NE2 N 110.637 0.1 1 843 234 81 VAL H H 8.498 0.02 1 844 234 81 VAL HA H 3.746 0.02 1 845 234 81 VAL HB H 2.128 0.02 1 846 234 81 VAL HG1 H 1.001 0.02 2 847 234 81 VAL HG2 H 0.880 0.02 2 848 234 81 VAL C C 178.230 0.1 1 849 234 81 VAL CA C 67.116 0.1 1 850 234 81 VAL CB C 31.509 0.1 1 851 234 81 VAL CG1 C 24.072 0.1 1 852 234 81 VAL CG2 C 22.445 0.1 1 853 234 81 VAL N N 121.491 0.1 1 854 235 82 THR H H 8.761 0.02 1 855 235 82 THR HA H 3.798 0.02 1 856 235 82 THR HB H 4.415 0.02 1 857 235 82 THR HG2 H 1.245 0.02 1 858 235 82 THR C C 176.620 0.1 1 859 235 82 THR CA C 68.134 0.1 1 860 235 82 THR CB C 68.404 0.1 1 861 235 82 THR CG2 C 21.652 0.1 1 862 235 82 THR N N 118.793 0.1 1 863 236 83 ASP H H 8.016 0.02 1 864 236 83 ASP HA H 4.413 0.02 1 865 236 83 ASP HB2 H 2.839 0.02 2 866 236 83 ASP HB3 H 2.642 0.02 2 867 236 83 ASP C C 179.311 0.1 1 868 236 83 ASP CA C 58.052 0.1 1 869 236 83 ASP CB C 40.528 0.1 1 870 236 83 ASP N N 120.890 0.1 1 871 237 84 MET H H 7.836 0.02 1 872 237 84 MET HA H 4.130 0.02 1 873 237 84 MET HB2 H 2.424 0.02 2 874 237 84 MET HB3 H 2.062 0.02 2 875 237 84 MET HG2 H 2.860 0.02 2 876 237 84 MET HG3 H 2.566 0.02 2 877 237 84 MET HE H 1.979 0.02 1 878 237 84 MET C C 178.934 0.1 1 879 237 84 MET CA C 59.671 0.1 1 880 237 84 MET CB C 34.422 0.1 1 881 237 84 MET CG C 31.428 0.1 1 882 237 84 MET CE C 16.935 0.1 1 883 237 84 MET N N 119.340 0.1 1 884 238 85 MET H H 8.120 0.02 1 885 238 85 MET HA H 3.994 0.02 1 886 238 85 MET HB2 H 2.440 0.02 2 887 238 85 MET HB3 H 1.914 0.02 2 888 238 85 MET HG2 H 2.952 0.02 2 889 238 85 MET HG3 H 2.417 0.02 2 890 238 85 MET HE H 1.885 0.02 1 891 238 85 MET C C 178.059 0.1 1 892 238 85 MET CA C 59.671 0.1 1 893 238 85 MET CB C 32.480 0.1 1 894 238 85 MET CG C 33.451 0.1 1 895 238 85 MET CE C 17.589 0.1 1 896 238 85 MET N N 118.867 0.1 1 897 239 86 VAL H H 8.240 0.02 1 898 239 86 VAL HA H 3.689 0.02 1 899 239 86 VAL HB H 2.191 0.02 1 900 239 86 VAL HG1 H 1.073 0.02 2 901 239 86 VAL HG2 H 0.950 0.02 2 902 239 86 VAL C C 179.897 0.1 1 903 239 86 VAL CA C 66.145 0.1 1 904 239 86 VAL CB C 32.156 0.1 1 905 239 86 VAL CG1 C 22.445 0.1 1 906 239 86 VAL CG2 C 21.474 0.1 1 907 239 86 VAL N N 118.143 0.1 1 908 240 87 ALA H H 8.227 0.02 1 909 240 87 ALA HA H 4.204 0.02 1 910 240 87 ALA HB H 1.476 0.02 1 911 240 87 ALA C C 178.810 0.1 1 912 240 87 ALA CA C 54.815 0.1 1 913 240 87 ALA CB C 18.510 0.1 1 914 240 87 ALA N N 122.570 0.1 1 915 241 88 ASN H H 7.352 0.02 1 916 241 88 ASN HA H 4.927 0.02 1 917 241 88 ASN HB2 H 3.101 0.02 2 918 241 88 ASN HB3 H 2.421 0.02 2 919 241 88 ASN HD21 H 7.676 0.02 2 920 241 88 ASN HD22 H 7.085 0.02 2 921 241 88 ASN C C 175.689 0.1 1 922 241 88 ASN CA C 53.626 0.1 1 923 241 88 ASN CB C 40.572 0.1 1 924 241 88 ASN N N 114.199 0.1 1 925 241 88 ASN ND2 N 115.173 0.1 1 926 242 89 SER H H 7.585 0.02 1 927 242 89 SER HA H 4.063 0.02 1 928 242 89 SER C C 175.290 0.1 1 929 242 89 SER CA C 62.239 0.1 1 930 242 89 SER CB C 64.110 0.1 1 931 242 89 SER N N 114.923 0.1 1 932 243 90 SER H H 8.454 0.02 1 933 243 90 SER HA H 4.433 0.02 1 934 243 90 SER HB2 H 3.944 0.02 1 935 243 90 SER HB3 H 3.944 0.02 1 936 243 90 SER C C 174.309 0.1 1 937 243 90 SER CA C 60.318 0.1 1 938 243 90 SER CB C 63.870 0.1 1 939 243 90 SER N N 115.442 0.1 1 940 244 91 ASN H H 7.880 0.02 1 941 244 91 ASN HA H 4.789 0.02 1 942 244 91 ASN HB2 H 2.667 0.02 1 943 244 91 ASN HB3 H 2.667 0.02 1 944 244 91 ASN HD21 H 7.478 0.02 2 945 244 91 ASN HD22 H 6.661 0.02 2 946 244 91 ASN C C 172.960 0.1 1 947 244 91 ASN CA C 53.572 0.1 1 948 244 91 ASN CB C 38.955 0.1 1 949 244 91 ASN N N 120.519 0.1 1 950 244 91 ASN ND2 N 110.904 0.1 1 951 245 92 LEU H H 8.278 0.02 1 952 245 92 LEU HA H 4.713 0.02 1 953 245 92 LEU HB2 H 2.013 0.02 2 954 245 92 LEU HB3 H 1.574 0.02 2 955 245 92 LEU HG H 1.078 0.02 1 956 245 92 LEU HD1 H 1.049 0.02 1 957 245 92 LEU HD2 H 1.050 0.02 1 958 245 92 LEU C C 175.338 0.1 1 959 245 92 LEU CA C 55.786 0.1 1 960 245 92 LEU CB C 43.162 0.1 1 961 245 92 LEU CG C 27.948 0.1 1 962 245 92 LEU CD1 C 25.042 0.1 1 963 245 92 LEU CD2 C 24.862 0.1 1 964 245 92 LEU N N 126.642 0.1 1 965 246 93 ILE H H 8.929 0.02 1 966 246 93 ILE HA H 4.920 0.02 1 967 246 93 ILE HB H 1.562 0.02 1 968 246 93 ILE HG12 H 1.546 0.02 2 969 246 93 ILE HG13 H 0.784 0.02 2 970 246 93 ILE HG2 H 0.675 0.02 1 971 246 93 ILE HD1 H 0.802 0.02 1 972 246 93 ILE C C 176.248 0.1 1 973 246 93 ILE CA C 60.642 0.1 1 974 246 93 ILE CB C 40.976 0.1 1 975 246 93 ILE CG1 C 27.954 0.1 1 976 246 93 ILE CG2 C 17.446 0.1 1 977 246 93 ILE CD1 C 13.705 0.1 1 978 246 93 ILE N N 126.854 0.1 1 979 247 94 ILE H H 9.084 0.02 1 980 247 94 ILE HA H 4.974 0.02 1 981 247 94 ILE HB H 1.723 0.02 1 982 247 94 ILE HG12 H 1.524 0.02 2 983 247 94 ILE HG13 H 1.035 0.02 2 984 247 94 ILE HG2 H 0.907 0.02 1 985 247 94 ILE HD1 H 0.630 0.02 1 986 247 94 ILE C C 174.552 0.1 1 987 247 94 ILE CA C 59.023 0.1 1 988 247 94 ILE CB C 41.220 0.1 1 989 247 94 ILE CG1 C 26.966 0.1 1 990 247 94 ILE CG2 C 18.566 0.1 1 991 247 94 ILE CD1 C 14.029 0.1 1 992 247 94 ILE N N 126.039 0.1 1 993 248 95 THR H H 8.620 0.02 1 994 248 95 THR HA H 5.335 0.02 1 995 248 95 THR HB H 3.796 0.02 1 996 248 95 THR HG2 H 0.962 0.02 1 997 248 95 THR C C 174.804 0.1 1 998 248 95 THR CA C 61.210 0.1 1 999 248 95 THR CB C 68.734 0.1 1 1000 248 95 THR CG2 C 22.561 0.1 1 1001 248 95 THR N N 122.895 0.1 1 1002 249 96 VAL H H 9.402 0.02 1 1003 249 96 VAL HA H 5.582 0.02 1 1004 249 96 VAL HB H 1.841 0.02 1 1005 249 96 VAL HG1 H 0.705 0.02 2 1006 249 96 VAL HG2 H 0.797 0.02 2 1007 249 96 VAL C C 174.712 0.1 1 1008 249 96 VAL CA C 58.254 0.1 1 1009 249 96 VAL CB C 36.274 0.1 1 1010 249 96 VAL CG1 C 21.499 0.1 1 1011 249 96 VAL CG2 C 18.696 0.1 1 1012 249 96 VAL N N 120.875 0.1 1 1013 250 97 LYS H H 9.180 0.02 1 1014 250 97 LYS HA H 5.130 0.02 1 1015 250 97 LYS HB2 H 1.927 0.02 2 1016 250 97 LYS HB3 H 1.489 0.02 2 1017 250 97 LYS HG2 H 1.478 0.02 2 1018 250 97 LYS HG3 H 1.346 0.02 2 1019 250 97 LYS HD2 H 1.746 0.02 2 1020 250 97 LYS HD3 H 1.739 0.02 2 1021 250 97 LYS HE2 H 3.009 0.02 1 1022 250 97 LYS HE3 H 3.009 0.02 1 1023 250 97 LYS C C 172.342 0.1 1 1024 250 97 LYS CA C 53.010 0.1 1 1025 250 97 LYS CB C 34.749 0.1 1 1026 250 97 LYS CG C 25.035 0.1 1 1027 250 97 LYS CD C 29.890 0.1 1 1028 250 97 LYS CE C 42.191 0.1 1 1029 250 97 LYS N N 123.882 0.1 1 1030 251 98 PRO HA H 4.422 0.02 1 1031 251 98 PRO HB2 H 2.373 0.02 2 1032 251 98 PRO HB3 H 1.936 0.02 2 1033 251 98 PRO HG2 H 2.093 0.02 2 1034 251 98 PRO HG3 H 1.774 0.02 2 1035 251 98 PRO HD2 H 4.026 0.02 2 1036 251 98 PRO HD3 H 3.822 0.02 2 1037 251 98 PRO C C 177.090 0.1 1 1038 251 98 PRO CA C 62.857 0.1 1 1039 251 98 PRO CB C 33.131 0.1 1 1040 251 98 PRO CG C 27.954 0.1 1 1041 251 98 PRO CD C 52.221 0.1 1 1042 252 99 ALA H H 9.541 0.02 1 1043 252 99 ALA HA H 4.290 0.02 1 1044 252 99 ALA HB H 1.438 0.02 1 1045 252 99 ALA C C 178.565 0.1 1 1046 252 99 ALA CA C 53.787 0.1 1 1047 252 99 ALA CB C 19.400 0.1 1 1048 252 99 ALA N N 126.577 0.1 1 1049 253 100 ASN H H 8.548 0.02 1 1050 253 100 ASN HA H 4.682 0.02 1 1051 253 100 ASN HB2 H 2.828 0.02 1 1052 253 100 ASN HB3 H 2.828 0.02 1 1053 253 100 ASN HD21 H 7.630 0.02 2 1054 253 100 ASN HD22 H 6.915 0.02 2 1055 253 100 ASN C C 174.967 0.1 1 1056 253 100 ASN CA C 53.333 0.1 1 1057 253 100 ASN CB C 38.954 0.1 1 1058 253 100 ASN N N 115.977 0.1 1 1059 253 100 ASN ND2 N 112.755 0.1 1 1060 254 101 GLN H H 8.241 0.02 1 1061 254 101 GLN HA H 4.363 0.02 1 1062 254 101 GLN HB2 H 2.191 0.02 2 1063 254 101 GLN HB3 H 1.963 0.02 2 1064 254 101 GLN HG2 H 2.376 0.02 1 1065 254 101 GLN HG3 H 2.376 0.02 1 1066 254 101 GLN HE21 H 7.664 0.02 2 1067 254 101 GLN HE22 H 6.924 0.02 2 1068 254 101 GLN C C 174.988 0.1 1 1069 254 101 GLN CA C 56.110 0.1 1 1070 254 101 GLN CB C 29.896 0.1 1 1071 254 101 GLN CG C 34.102 0.1 1 1072 254 101 GLN N N 120.602 0.1 1 1073 254 101 GLN NE2 N 112.701 0.1 1 1074 255 102 ARG H H 8.004 0.02 1 1075 255 102 ARG HA H 4.188 0.02 1 1076 255 102 ARG HB2 H 1.866 0.02 2 1077 255 102 ARG HB3 H 1.756 0.02 2 1078 255 102 ARG HG2 H 1.613 0.02 1 1079 255 102 ARG HG3 H 1.613 0.02 1 1080 255 102 ARG HD2 H 3.220 0.02 1 1081 255 102 ARG HD3 H 3.220 0.02 1 1082 255 102 ARG C C 180.985 0.1 1 1083 255 102 ARG CA C 58.042 0.1 1 1084 255 102 ARG CB C 31.837 0.1 1 1085 255 102 ARG CG C 27.307 0.1 1 1086 255 102 ARG N N 127.635 0.1 1 stop_ save_