data_11457 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second dsRBD from RNA helicase A ; _BMRB_accession_number 11457 _BMRB_flat_file_name bmr11457.str _Entry_type original _Submission_date 2011-11-29 _Accession_date 2011-11-30 _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 Nagata Takashi . . 2 Muto Yutaka . . 3 Tsuda Kengo . . 4 Inoue Makoto . . 5 Kigawa Takanori . . 6 Terada Takaho . . 7 Shirouzu Mikako . . 8 Yokoyama Shigeyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 661 "13C chemical shifts" 485 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-29 original author . stop_ _Original_release_date 2012-08-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of the double-stranded RNA-binding domains from RNA helicase A' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22454253 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nagata Takashi . . 2 Tsuda Kengo . . 3 Kobayashi Naohiro . . 4 Shirouzu Mikako . . 5 Kigawa Takanori . . 6 Guntert Peter . . 7 Yokoyama Shigeyuki . . 8 Muto Yutaka . . stop_ _Journal_abbreviation Proteins _Journal_volume 80 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1699 _Page_last 1706 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Solution structure of the second dsRBD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'second dsRBD' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 12507.041 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSSGSSGLESEEVDLNAGLH GNWTLENAKARLNQYFQKEK IQGEYKYTQVGPDHNRSFIA EMTIYIKQLGRRIFAREHGS NKKLAAQSCALSLVRQLYHL GVIEAYSSGPSSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 156 GLY 2 157 SER 3 158 SER 4 159 GLY 5 160 SER 6 161 SER 7 162 GLY 8 163 LEU 9 164 GLU 10 165 SER 11 166 GLU 12 167 GLU 13 168 VAL 14 169 ASP 15 170 LEU 16 171 ASN 17 172 ALA 18 173 GLY 19 174 LEU 20 175 HIS 21 176 GLY 22 177 ASN 23 178 TRP 24 179 THR 25 180 LEU 26 181 GLU 27 182 ASN 28 183 ALA 29 184 LYS 30 185 ALA 31 186 ARG 32 187 LEU 33 188 ASN 34 189 GLN 35 190 TYR 36 191 PHE 37 192 GLN 38 193 LYS 39 194 GLU 40 195 LYS 41 196 ILE 42 197 GLN 43 198 GLY 44 199 GLU 45 200 TYR 46 201 LYS 47 202 TYR 48 203 THR 49 204 GLN 50 205 VAL 51 206 GLY 52 207 PRO 53 208 ASP 54 209 HIS 55 210 ASN 56 211 ARG 57 212 SER 58 213 PHE 59 214 ILE 60 215 ALA 61 216 GLU 62 217 MET 63 218 THR 64 219 ILE 65 220 TYR 66 221 ILE 67 222 LYS 68 223 GLN 69 224 LEU 70 225 GLY 71 226 ARG 72 227 ARG 73 228 ILE 74 229 PHE 75 230 ALA 76 231 ARG 77 232 GLU 78 233 HIS 79 234 GLY 80 235 SER 81 236 ASN 82 237 LYS 83 238 LYS 84 239 LEU 85 240 ALA 86 241 ALA 87 242 GLN 88 243 SER 89 244 CYS 90 245 ALA 91 246 LEU 92 247 SER 93 248 LEU 94 249 VAL 95 250 ARG 96 251 GLN 97 252 LEU 98 253 TYR 99 254 HIS 100 255 LEU 101 256 GLY 102 257 VAL 103 258 ILE 104 259 GLU 105 260 ALA 106 261 TYR 107 262 SER 108 263 SER 109 264 GLY 110 265 PRO 111 266 SER 112 267 SER 113 268 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1UIL "Double-Stranded Rna-Binding Motif Of Hypothetical Protein Bab28848" 100.00 113 100.00 100.00 4.75e-76 PDB 2RS7 "Solution Structure Of The Second Dsrbd From Rna Helicase A" 100.00 113 100.00 100.00 4.75e-76 PDB 3VYX "Structural Insights Into Risc Assembly Facilitated By Dsrna Binding Domains Of Human Rna Helicase (dhx9)" 88.50 114 99.00 100.00 5.55e-67 DBJ BAB28848 "unnamed protein product [Mus musculus]" 88.50 265 99.00 99.00 4.46e-64 DBJ BAE24846 "unnamed protein product [Mus musculus]" 88.50 735 100.00 100.00 6.71e-62 DBJ BAE88384 "unnamed protein product [Macaca fascicularis]" 88.50 437 98.00 99.00 1.66e-62 DBJ BAH90798 "DEAH (Asp-Glu-Ala-His) box polypeptide 9, partial [synthetic construct]" 88.50 1270 99.00 100.00 9.56e-60 EMBL CAA58036 "nuclear DNA helicase II [Bos taurus]" 88.50 1287 98.00 99.00 5.79e-59 EMBL CAA71668 "nuclear DNA helicase II [Homo sapiens]" 88.50 1270 99.00 100.00 8.75e-60 EMBL CAH92036 "hypothetical protein [Pongo abelii]" 88.50 1269 99.00 100.00 9.54e-60 GB AAB48855 "RNA helicase A [Homo sapiens]" 88.50 1279 97.00 99.00 2.92e-58 GB AAC05725 "RNA helicase A [Mus musculus]" 88.50 1380 97.00 97.00 8.41e-58 GB AAH08773 "DHX9 protein, partial [Homo sapiens]" 88.50 596 99.00 100.00 1.07e-61 GB AAH14246 "DHX9 protein, partial [Homo sapiens]" 88.50 599 99.00 100.00 1.40e-61 GB AAH25245 "DHX9 protein, partial [Homo sapiens]" 88.50 593 99.00 100.00 1.02e-61 PIR A47363 "RNA helicase A - human" 88.50 1279 97.00 99.00 2.24e-58 REF NP_001100654 "ATP-dependent RNA helicase A [Rattus norvegicus]" 88.50 1174 100.00 100.00 1.54e-61 REF NP_001253117 "ATP-dependent RNA helicase A [Macaca mulatta]" 88.50 1275 99.00 100.00 1.09e-59 REF NP_001348 "ATP-dependent RNA helicase A [Homo sapiens]" 88.50 1270 99.00 100.00 9.56e-60 REF NP_031868 "ATP-dependent RNA helicase A [Mus musculus]" 88.50 1383 100.00 100.00 9.38e-60 REF NP_776461 "ATP-dependent RNA helicase A [Bos taurus]" 88.50 1287 98.00 99.00 5.79e-59 SP O70133 "RecName: Full=ATP-dependent RNA helicase A; Short=RHA; AltName: Full=DEAH box protein 9; Short=mHEL-5; AltName: Full=Nuclear DN" 88.50 1380 100.00 100.00 1.01e-59 SP Q08211 "RecName: Full=ATP-dependent RNA helicase A; Short=RHA; AltName: Full=DEAH box protein 9; AltName: Full=Leukophysin; Short=LKP; " 88.50 1270 99.00 100.00 9.56e-60 SP Q28141 "RecName: Full=ATP-dependent RNA helicase A; Short=RHA; AltName: Full=DEAH box protein 9; AltName: Full=Nuclear DNA helicase II;" 88.50 1287 98.00 99.00 5.79e-59 SP Q5R874 "RecName: Full=ATP-dependent RNA helicase A; Short=RHA; AltName: Full=DEAH box protein 9; AltName: Full=Nuclear DNA helicase II;" 88.50 1269 99.00 100.00 9.54e-60 TPG DAA21040 "TPA: ATP-dependent RNA helicase A [Bos taurus]" 88.50 1287 98.00 99.00 5.79e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Mouse 10090 Eukaryota Metazoa Mus musculus 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 $entity 'recombinant technology' 'E. coli' Eschrichia Coli . 'not applicable' 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 $entity 1.16 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 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' 120 . mM pH 6.0 . pH pressure 1 . atm temperature 298.15 . 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 water C 13 protons ppm 0 internal indirect . . . 0.251449530 water H 1 protons ppm 4.784 internal indirect . . . 1.0 water N 15 protons ppm 0 internal 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 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'second dsRBD' _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 1 159 4 GLY HA2 H 3.989 0.03 1 2 159 4 GLY HA3 H 3.989 0.03 1 3 159 4 GLY C C 174.296 0.3 1 4 159 4 GLY CA C 45.359 0.3 1 5 160 5 SER H H 8.258 0.03 1 6 160 5 SER HA H 4.496 0.03 1 7 160 5 SER HB2 H 3.847 0.03 1 8 160 5 SER HB3 H 3.847 0.03 1 9 160 5 SER C C 174.808 0.3 1 10 160 5 SER CA C 58.306 0.3 1 11 160 5 SER CB C 63.904 0.3 1 12 160 5 SER N N 115.715 0.3 1 13 161 6 SER H H 8.506 0.03 1 14 161 6 SER HA H 4.465 0.03 1 15 161 6 SER HB2 H 3.877 0.03 1 16 161 6 SER HB3 H 3.877 0.03 1 17 161 6 SER C C 174.992 0.3 1 18 161 6 SER CA C 58.691 0.3 1 19 161 6 SER CB C 63.95 0.3 1 20 161 6 SER N N 117.989 0.3 1 21 162 7 GLY H H 8.446 0.03 1 22 162 7 GLY HA2 H 3.985 0.03 2 23 162 7 GLY HA3 H 3.955 0.03 2 24 162 7 GLY C C 174.166 0.3 1 25 162 7 GLY CA C 45.385 0.3 1 26 162 7 GLY N N 110.864 0.3 1 27 163 8 LEU H H 8.133 0.03 1 28 163 8 LEU HA H 4.342 0.03 1 29 163 8 LEU HB2 H 1.574 0.03 1 30 163 8 LEU HB3 H 1.574 0.03 1 31 163 8 LEU HG H 1.571 0.03 1 32 163 8 LEU HD1 H 0.834 0.03 1 33 163 8 LEU HD2 H 0.886 0.03 1 34 163 8 LEU C C 177.675 0.3 1 35 163 8 LEU CA C 55.267 0.3 1 36 163 8 LEU CB C 42.51 0.3 1 37 163 8 LEU CG C 27.06 0.3 1 38 163 8 LEU CD1 C 23.467 0.3 2 39 163 8 LEU CD2 C 24.962 0.3 2 40 163 8 LEU N N 121.525 0.3 1 41 164 9 GLU H H 8.564 0.03 1 42 164 9 GLU HA H 4.265 0.03 1 43 164 9 GLU HB2 H 1.95 0.03 2 44 164 9 GLU HB3 H 2.063 0.03 2 45 164 9 GLU HG2 H 2.271 0.03 1 46 164 9 GLU HG3 H 2.271 0.03 1 47 164 9 GLU C C 176.636 0.3 1 48 164 9 GLU CA C 57.054 0.3 1 49 164 9 GLU CB C 29.921 0.3 1 50 164 9 GLU CG C 36.189 0.3 1 51 164 9 GLU N N 121.435 0.3 1 52 165 10 SER H H 8.213 0.03 1 53 165 10 SER HA H 4.407 0.03 1 54 165 10 SER HB2 H 3.873 0.03 2 55 165 10 SER HB3 H 3.817 0.03 2 56 165 10 SER C C 174.522 0.3 1 57 165 10 SER CA C 58.492 0.3 1 58 165 10 SER CB C 63.898 0.3 1 59 165 10 SER N N 115.855 0.3 1 60 166 11 GLU H H 8.39 0.03 1 61 166 11 GLU HA H 4.296 0.03 1 62 166 11 GLU HB2 H 1.94 0.03 2 63 166 11 GLU HB3 H 2.065 0.03 2 64 166 11 GLU HG2 H 2.228 0.03 1 65 166 11 GLU HG3 H 2.228 0.03 1 66 166 11 GLU C C 176.521 0.3 1 67 166 11 GLU CA C 56.697 0.3 1 68 166 11 GLU CB C 30.274 0.3 1 69 166 11 GLU CG C 36.28 0.3 1 70 166 11 GLU N N 122.527 0.3 1 71 167 12 GLU H H 8.371 0.03 1 72 167 12 GLU HA H 4.276 0.03 1 73 167 12 GLU HB2 H 1.938 0.03 2 74 167 12 GLU HB3 H 2.041 0.03 2 75 167 12 GLU HG2 H 2.241 0.03 1 76 167 12 GLU HG3 H 2.241 0.03 1 77 167 12 GLU C C 176.784 0.3 1 78 167 12 GLU CA C 56.835 0.3 1 79 167 12 GLU CB C 30.083 0.3 1 80 167 12 GLU CG C 36.176 0.3 1 81 167 12 GLU N N 121.951 0.3 1 82 168 13 VAL H H 8.087 0.03 1 83 168 13 VAL HA H 4.032 0.03 1 84 168 13 VAL HB H 2.041 0.03 1 85 168 13 VAL HG1 H 0.898 0.03 1 86 168 13 VAL HG2 H 0.934 0.03 1 87 168 13 VAL C C 175.916 0.3 1 88 168 13 VAL CA C 62.811 0.3 1 89 168 13 VAL CB C 32.821 0.3 1 90 168 13 VAL CG1 C 21.103 0.3 2 91 168 13 VAL CG2 C 20.786 0.3 2 92 168 13 VAL N N 120.99 0.3 1 93 169 14 ASP H H 8.412 0.03 1 94 169 14 ASP HA H 4.668 0.03 1 95 169 14 ASP HB2 H 2.628 0.03 2 96 169 14 ASP HB3 H 2.781 0.03 2 97 169 14 ASP C C 177.252 0.3 1 98 169 14 ASP CA C 54.165 0.3 1 99 169 14 ASP CB C 40.85 0.3 1 100 169 14 ASP N N 123.082 0.3 1 101 170 15 LEU H H 8.315 0.03 1 102 170 15 LEU HA H 4.215 0.03 1 103 170 15 LEU HB2 H 1.605 0.03 2 104 170 15 LEU HB3 H 1.706 0.03 2 105 170 15 LEU HG H 1.674 0.03 1 106 170 15 LEU HD1 H 0.846 0.03 1 107 170 15 LEU HD2 H 0.917 0.03 1 108 170 15 LEU C C 178.008 0.3 1 109 170 15 LEU CA C 56.308 0.3 1 110 170 15 LEU CB C 41.898 0.3 1 111 170 15 LEU CG C 26.88 0.3 1 112 170 15 LEU CD1 C 23.287 0.3 2 113 170 15 LEU CD2 C 25.041 0.3 2 114 170 15 LEU N N 124.443 0.3 1 115 171 16 ASN H H 8.322 0.03 1 116 171 16 ASN HA H 4.76 0.03 1 117 171 16 ASN HB2 H 2.883 0.03 2 118 171 16 ASN HB3 H 2.962 0.03 2 119 171 16 ASN HD21 H 7.002 0.03 2 120 171 16 ASN HD22 H 7.734 0.03 2 121 171 16 ASN C C 176.049 0.3 1 122 171 16 ASN CA C 53.463 0.3 1 123 171 16 ASN CB C 38.815 0.3 1 124 171 16 ASN N N 116.851 0.3 1 125 171 16 ASN ND2 N 113.29 0.3 1 126 172 17 ALA H H 7.925 0.03 1 127 172 17 ALA HA H 4.052 0.03 1 128 172 17 ALA HB H 1.322 0.03 1 129 172 17 ALA C C 180.1 0.3 1 130 172 17 ALA CA C 55.266 0.3 1 131 172 17 ALA CB C 18.919 0.3 1 132 172 17 ALA N N 123.059 0.3 1 133 173 18 GLY H H 8.649 0.03 1 134 173 18 GLY HA2 H 3.854 0.03 1 135 173 18 GLY HA3 H 3.854 0.03 1 136 173 18 GLY C C 175.675 0.3 1 137 173 18 GLY CA C 46.346 0.3 1 138 173 18 GLY N N 107.099 0.3 1 139 174 19 LEU H H 7.619 0.03 1 140 174 19 LEU HA H 4.298 0.03 1 141 174 19 LEU HB2 H 1.274 0.03 2 142 174 19 LEU HB3 H 1.409 0.03 2 143 174 19 LEU HG H 1.503 0.03 1 144 174 19 LEU HD1 H 0.802 0.03 1 145 174 19 LEU HD2 H 0.89 0.03 1 146 174 19 LEU C C 177.5 0.3 1 147 174 19 LEU CA C 55.611 0.3 1 148 174 19 LEU CB C 41.792 0.3 1 149 174 19 LEU CG C 26.88 0.3 1 150 174 19 LEU CD1 C 22.839 0.3 2 151 174 19 LEU CD2 C 25.067 0.3 2 152 174 19 LEU N N 120.099 0.3 1 153 175 20 HIS H H 7.776 0.03 1 154 175 20 HIS HA H 4.944 0.03 1 155 175 20 HIS HB2 H 2.947 0.03 2 156 175 20 HIS HB3 H 3.346 0.03 2 157 175 20 HIS HD2 H 7.045 0.03 1 158 175 20 HIS HE1 H 8.714 0.03 1 159 175 20 HIS C C 175.098 0.3 1 160 175 20 HIS CA C 54.188 0.3 1 161 175 20 HIS CB C 31.029 0.3 1 162 175 20 HIS CD2 C 120.203 0.3 1 163 175 20 HIS CE1 C 138.091 0.3 1 164 175 20 HIS N N 117.089 0.3 1 165 176 21 GLY H H 8.087 0.03 1 166 176 21 GLY HA2 H 2.303 0.03 2 167 176 21 GLY HA3 H 3.175 0.03 2 168 176 21 GLY C C 172.148 0.3 1 169 176 21 GLY CA C 46.019 0.3 1 170 176 21 GLY N N 108.301 0.3 1 171 177 22 ASN H H 8.044 0.03 1 172 177 22 ASN HA H 3.733 0.03 1 173 177 22 ASN HB2 H 2.751 0.03 2 174 177 22 ASN HB3 H 2.99 0.03 2 175 177 22 ASN HD21 H 6.789 0.03 2 176 177 22 ASN HD22 H 7.273 0.03 2 177 177 22 ASN C C 173.478 0.3 1 178 177 22 ASN CA C 54.458 0.3 1 179 177 22 ASN CB C 36.879 0.3 1 180 177 22 ASN N N 108.121 0.3 1 181 177 22 ASN ND2 N 113.29 0.3 1 182 178 23 TRP H H 6.875 0.03 1 183 178 23 TRP HA H 4.793 0.03 1 184 178 23 TRP HB2 H 2.857 0.03 2 185 178 23 TRP HB3 H 2.99 0.03 2 186 178 23 TRP HD1 H 6.89 0.03 1 187 178 23 TRP HE1 H 9.822 0.03 1 188 178 23 TRP HE3 H 7.405 0.03 1 189 178 23 TRP HZ2 H 7.558 0.03 1 190 178 23 TRP HZ3 H 6.927 0.03 1 191 178 23 TRP HH2 H 7.386 0.03 1 192 178 23 TRP C C 176.151 0.3 1 193 178 23 TRP CA C 56.864 0.3 1 194 178 23 TRP CB C 29.941 0.3 1 195 178 23 TRP CD1 C 126.409 0.3 1 196 178 23 TRP CE3 C 120.121 0.3 1 197 178 23 TRP CZ2 C 115.575 0.3 1 198 178 23 TRP CZ3 C 122.209 0.3 1 199 178 23 TRP CH2 C 124.002 0.3 1 200 178 23 TRP N N 119.934 0.3 1 201 178 23 TRP NE1 N 126.349 0.3 1 202 179 24 THR H H 9.868 0.03 1 203 179 24 THR HA H 4.575 0.03 1 204 179 24 THR HB H 4.559 0.03 1 205 179 24 THR HG2 H 0.951 0.03 1 206 179 24 THR C C 174.582 0.3 1 207 179 24 THR CA C 60.013 0.3 1 208 179 24 THR CB C 72.835 0.3 1 209 179 24 THR CG2 C 21.67 0.3 1 210 179 24 THR N N 118.668 0.3 1 211 180 25 LEU H H 9.029 0.03 1 212 180 25 LEU HA H 3.866 0.03 1 213 180 25 LEU HB2 H 1.54 0.03 2 214 180 25 LEU HB3 H 1.69 0.03 2 215 180 25 LEU HG H 1.698 0.03 1 216 180 25 LEU HD1 H 0.869 0.03 1 217 180 25 LEU HD2 H 0.906 0.03 1 218 180 25 LEU C C 178.779 0.3 1 219 180 25 LEU CA C 58.14 0.3 1 220 180 25 LEU CB C 42.504 0.3 1 221 180 25 LEU CG C 26.701 0.3 1 222 180 25 LEU CD1 C 24.356 0.3 2 223 180 25 LEU CD2 C 25.084 0.3 2 224 180 25 LEU N N 120.777 0.3 1 225 181 26 GLU H H 8.136 0.03 1 226 181 26 GLU HA H 4.041 0.03 1 227 181 26 GLU HB2 H 1.884 0.03 1 228 181 26 GLU HB3 H 1.884 0.03 1 229 181 26 GLU HG2 H 2.194 0.03 2 230 181 26 GLU HG3 H 2.242 0.03 2 231 181 26 GLU C C 177.407 0.3 1 232 181 26 GLU CA C 58.859 0.3 1 233 181 26 GLU CB C 29.882 0.3 1 234 181 26 GLU CG C 36.402 0.3 1 235 181 26 GLU N N 114.005 0.3 1 236 182 27 ASN H H 7.382 0.03 1 237 182 27 ASN HA H 4.975 0.03 1 238 182 27 ASN HB2 H 2.525 0.03 2 239 182 27 ASN HB3 H 3.005 0.03 2 240 182 27 ASN HD21 H 5.797 0.03 2 241 182 27 ASN HD22 H 4.984 0.03 2 242 182 27 ASN C C 178.326 0.3 1 243 182 27 ASN CA C 52.619 0.3 1 244 182 27 ASN CB C 38.921 0.3 1 245 182 27 ASN N N 114.057 0.3 1 246 182 27 ASN ND2 N 106.466 0.3 1 247 183 28 ALA H H 8.128 0.03 1 248 183 28 ALA HA H 4.059 0.03 1 249 183 28 ALA HB H 1.449 0.03 1 250 183 28 ALA C C 178.945 0.3 1 251 183 28 ALA CA C 56.462 0.3 1 252 183 28 ALA CB C 18.796 0.3 1 253 183 28 ALA N N 123.408 0.3 1 254 184 29 LYS H H 8.319 0.03 1 255 184 29 LYS HA H 3.558 0.03 1 256 184 29 LYS HB2 H 1.774 0.03 2 257 184 29 LYS HB3 H 1.852 0.03 2 258 184 29 LYS HG2 H 1.393 0.03 1 259 184 29 LYS HG3 H 1.393 0.03 1 260 184 29 LYS HD2 H 1.571 0.03 2 261 184 29 LYS HD3 H 1.571 0.03 2 262 184 29 LYS HE2 H 2.893 0.03 2 263 184 29 LYS HE3 H 2.976 0.03 2 264 184 29 LYS C C 178.387 0.3 1 265 184 29 LYS CA C 60.848 0.3 1 266 184 29 LYS CB C 32.076 0.3 1 267 184 29 LYS CG C 24.999 0.3 1 268 184 29 LYS CD C 29.934 0.3 1 269 184 29 LYS CE C 41.922 0.3 1 270 184 29 LYS N N 119.002 0.3 1 271 185 30 ALA H H 8.439 0.03 1 272 185 30 ALA HA H 4.143 0.03 1 273 185 30 ALA HB H 1.474 0.03 1 274 185 30 ALA C C 180.659 0.3 1 275 185 30 ALA CA C 54.883 0.3 1 276 185 30 ALA CB C 18.077 0.3 1 277 185 30 ALA N N 119.769 0.3 1 278 186 31 ARG H H 7.179 0.03 1 279 186 31 ARG HA H 4.366 0.03 1 280 186 31 ARG HB2 H 1.47 0.03 2 281 186 31 ARG HB3 H 1.826 0.03 2 282 186 31 ARG HG2 H 0.761 0.03 1 283 186 31 ARG HG3 H 0.761 0.03 1 284 186 31 ARG HD2 H 3.339 0.03 2 285 186 31 ARG HD3 H 3.442 0.03 2 286 186 31 ARG HE H 8.935 0.03 1 287 186 31 ARG C C 179.531 0.3 1 288 186 31 ARG CA C 56.3 0.3 1 289 186 31 ARG CB C 29.038 0.3 1 290 186 31 ARG CG C 26.261 0.3 1 291 186 31 ARG CD C 42.091 0.3 1 292 186 31 ARG N N 118.703 0.3 1 293 186 31 ARG NE N 85.263 0.3 1 294 187 32 LEU H H 8.422 0.03 1 295 187 32 LEU HA H 3.608 0.03 1 296 187 32 LEU HB2 H 0.999 0.03 2 297 187 32 LEU HB3 H 1.679 0.03 2 298 187 32 LEU HG H 0.636 0.03 1 299 187 32 LEU HD1 H 0.329 0.03 1 300 187 32 LEU HD2 H 0.742 0.03 1 301 187 32 LEU C C 177.583 0.3 1 302 187 32 LEU CA C 56.857 0.3 1 303 187 32 LEU CB C 40.534 0.3 1 304 187 32 LEU CG C 25.263 0.3 1 305 187 32 LEU CD1 C 22.358 0.3 2 306 187 32 LEU CD2 C 26.617 0.3 2 307 187 32 LEU N N 123.996 0.3 1 308 188 33 ASN H H 8.137 0.03 1 309 188 33 ASN HA H 4.401 0.03 1 310 188 33 ASN HB2 H 2.881 0.03 1 311 188 33 ASN HB3 H 2.881 0.03 1 312 188 33 ASN HD21 H 6.884 0.03 2 313 188 33 ASN HD22 H 7.661 0.03 2 314 188 33 ASN C C 178.368 0.3 1 315 188 33 ASN CA C 56.334 0.3 1 316 188 33 ASN CB C 37.839 0.3 1 317 188 33 ASN N N 116.942 0.3 1 318 188 33 ASN ND2 N 111.734 0.3 1 319 189 34 GLN H H 7.725 0.03 1 320 189 34 GLN HA H 4.124 0.03 1 321 189 34 GLN HB2 H 2.192 0.03 2 322 189 34 GLN HB3 H 2.346 0.03 2 323 189 34 GLN HG2 H 2.408 0.03 2 324 189 34 GLN HG3 H 2.613 0.03 2 325 189 34 GLN HE21 H 6.923 0.03 2 326 189 34 GLN HE22 H 7.507 0.03 2 327 189 34 GLN C C 178.169 0.3 1 328 189 34 GLN CA C 59.038 0.3 1 329 189 34 GLN CB C 28.677 0.3 1 330 189 34 GLN CG C 33.646 0.3 1 331 189 34 GLN N N 119.61 0.3 1 332 189 34 GLN NE2 N 111.102 0.3 1 333 190 35 TYR H H 7.834 0.03 1 334 190 35 TYR HA H 4.51 0.03 1 335 190 35 TYR HB2 H 2.755 0.03 2 336 190 35 TYR HB3 H 3.157 0.03 2 337 190 35 TYR HD1 H 6.856 0.03 1 338 190 35 TYR HD2 H 6.856 0.03 1 339 190 35 TYR HE1 H 6.563 0.03 1 340 190 35 TYR HE2 H 6.563 0.03 1 341 190 35 TYR C C 176.941 0.3 1 342 190 35 TYR CA C 61.721 0.3 1 343 190 35 TYR CB C 38.02 0.3 1 344 190 35 TYR CD1 C 132.404 0.3 1 345 190 35 TYR CD2 C 132.404 0.3 1 346 190 35 TYR CE1 C 118.127 0.3 1 347 190 35 TYR CE2 C 118.127 0.3 1 348 190 35 TYR N N 122.312 0.3 1 349 191 36 PHE H H 8.667 0.03 1 350 191 36 PHE HA H 4.298 0.03 1 351 191 36 PHE HB2 H 3.331 0.03 2 352 191 36 PHE HB3 H 3.648 0.03 2 353 191 36 PHE HD1 H 7.197 0.03 1 354 191 36 PHE HD2 H 7.197 0.03 1 355 191 36 PHE HE1 H 7.106 0.03 1 356 191 36 PHE HE2 H 7.106 0.03 1 357 191 36 PHE HZ H 7.14 0.03 1 358 191 36 PHE C C 179.157 0.3 1 359 191 36 PHE CA C 58.338 0.3 1 360 191 36 PHE CB C 36.706 0.3 1 361 191 36 PHE CD1 C 130.098 0.3 1 362 191 36 PHE CD2 C 130.098 0.3 1 363 191 36 PHE CE1 C 130.361 0.3 1 364 191 36 PHE CE2 C 130.361 0.3 1 365 191 36 PHE CZ C 128.924 0.3 1 366 191 36 PHE N N 117.719 0.3 1 367 192 37 GLN H H 8.085 0.03 1 368 192 37 GLN HA H 4.12 0.03 1 369 192 37 GLN HB2 H 2.189 0.03 2 370 192 37 GLN HB3 H 2.189 0.03 2 371 192 37 GLN HG2 H 2.432 0.03 2 372 192 37 GLN HG3 H 2.568 0.03 2 373 192 37 GLN HE21 H 6.856 0.03 2 374 192 37 GLN HE22 H 7.449 0.03 2 375 192 37 GLN C C 178.821 0.3 1 376 192 37 GLN CA C 58.836 0.3 1 377 192 37 GLN CB C 28.677 0.3 1 378 192 37 GLN CG C 34.066 0.3 1 379 192 37 GLN N N 117.211 0.3 1 380 192 37 GLN NE2 N 111.796 0.3 1 381 193 38 LYS H H 8.081 0.03 1 382 193 38 LYS HA H 4.033 0.03 1 383 193 38 LYS HB2 H 1.94 0.03 2 384 193 38 LYS HB3 H 1.977 0.03 2 385 193 38 LYS HG2 H 1.431 0.03 1 386 193 38 LYS HG3 H 1.431 0.03 1 387 193 38 LYS HD2 H 1.687 0.03 2 388 193 38 LYS HD3 H 1.75 0.03 2 389 193 38 LYS HE2 H 3.006 0.03 1 390 193 38 LYS HE3 H 3.006 0.03 1 391 193 38 LYS C C 178.525 0.3 1 392 193 38 LYS CA C 58.919 0.3 1 393 193 38 LYS CB C 32.611 0.3 1 394 193 38 LYS CG C 24.904 0.3 1 395 193 38 LYS CD C 29.02 0.3 1 396 193 38 LYS CE C 42.424 0.3 1 397 193 38 LYS N N 120.761 0.3 1 398 194 39 GLU H H 8.065 0.03 1 399 194 39 GLU HA H 4.15 0.03 1 400 194 39 GLU HB2 H 1.31 0.03 2 401 194 39 GLU HB3 H 2.088 0.03 2 402 194 39 GLU HG2 H 1.599 0.03 2 403 194 39 GLU HG3 H 1.673 0.03 2 404 194 39 GLU C C 175.389 0.3 1 405 194 39 GLU CA C 55.597 0.3 1 406 194 39 GLU CB C 29.934 0.3 1 407 194 39 GLU CG C 35.371 0.3 1 408 194 39 GLU N N 114.609 0.3 1 409 195 40 LYS H H 7.716 0.03 1 410 195 40 LYS HA H 3.877 0.03 1 411 195 40 LYS HB2 H 1.804 0.03 2 412 195 40 LYS HB3 H 2.095 0.03 2 413 195 40 LYS HG2 H 1.323 0.03 1 414 195 40 LYS HG3 H 1.323 0.03 1 415 195 40 LYS HD2 H 1.631 0.03 2 416 195 40 LYS HD3 H 1.7 0.03 2 417 195 40 LYS HE2 H 3.006 0.03 1 418 195 40 LYS HE3 H 3.006 0.03 1 419 195 40 LYS C C 175.726 0.3 1 420 195 40 LYS CA C 57.062 0.3 1 421 195 40 LYS CB C 28.677 0.3 1 422 195 40 LYS CG C 24.904 0.3 1 423 195 40 LYS CD C 29.216 0.3 1 424 195 40 LYS CE C 42.51 0.3 1 425 195 40 LYS N N 116.665 0.3 1 426 196 41 ILE H H 7.994 0.03 1 427 196 41 ILE HA H 4.258 0.03 1 428 196 41 ILE HB H 1.494 0.03 1 429 196 41 ILE HG12 H 0.987 0.03 2 430 196 41 ILE HG13 H 1.328 0.03 2 431 196 41 ILE HG2 H 0.589 0.03 1 432 196 41 ILE HD1 H 0.936 0.03 1 433 196 41 ILE C C 174.789 0.3 1 434 196 41 ILE CA C 59.873 0.3 1 435 196 41 ILE CB C 41.504 0.3 1 436 196 41 ILE CG1 C 27.05 0.3 1 437 196 41 ILE CG2 C 17.359 0.3 1 438 196 41 ILE CD1 C 14.154 0.3 1 439 196 41 ILE N N 117.095 0.3 1 440 197 42 GLN H H 8.202 0.03 1 441 197 42 GLN HA H 4.171 0.03 1 442 197 42 GLN HB2 H 1.799 0.03 2 443 197 42 GLN HB3 H 1.892 0.03 2 444 197 42 GLN HG2 H 2.182 0.03 1 445 197 42 GLN HG3 H 2.182 0.03 1 446 197 42 GLN HE21 H 6.765 0.03 2 447 197 42 GLN HE22 H 7.467 0.03 2 448 197 42 GLN C C 174.951 0.3 1 449 197 42 GLN CA C 54.386 0.3 1 450 197 42 GLN CB C 29.777 0.3 1 451 197 42 GLN CG C 33.643 0.3 1 452 197 42 GLN N N 122.58 0.3 1 453 197 42 GLN NE2 N 112.352 0.3 1 454 198 43 GLY H H 7.364 0.03 1 455 198 43 GLY HA2 H 3.058 0.03 2 456 198 43 GLY HA3 H 3.852 0.03 2 457 198 43 GLY C C 172.133 0.3 1 458 198 43 GLY CA C 45.148 0.3 1 459 198 43 GLY N N 110.969 0.3 1 460 199 44 GLU H H 8.105 0.03 1 461 199 44 GLU HA H 4.484 0.03 1 462 199 44 GLU HB2 H 1.765 0.03 2 463 199 44 GLU HB3 H 1.904 0.03 2 464 199 44 GLU HG2 H 2.078 0.03 2 465 199 44 GLU HG3 H 2.186 0.03 2 466 199 44 GLU C C 174.918 0.3 1 467 199 44 GLU CA C 54.603 0.3 1 468 199 44 GLU CB C 32.427 0.3 1 469 199 44 GLU CG C 35.785 0.3 1 470 199 44 GLU N N 122.675 0.3 1 471 200 45 TYR H H 8.245 0.03 1 472 200 45 TYR HA H 4.36 0.03 1 473 200 45 TYR HB2 H 1.997 0.03 2 474 200 45 TYR HB3 H 2.472 0.03 2 475 200 45 TYR HD1 H 6.962 0.03 1 476 200 45 TYR HD2 H 6.962 0.03 1 477 200 45 TYR HE1 H 6.641 0.03 1 478 200 45 TYR HE2 H 6.641 0.03 1 479 200 45 TYR C C 175.251 0.3 1 480 200 45 TYR CA C 58.713 0.3 1 481 200 45 TYR CB C 39.638 0.3 1 482 200 45 TYR CD1 C 132.726 0.3 1 483 200 45 TYR CD2 C 132.726 0.3 1 484 200 45 TYR CE1 C 118.734 0.3 1 485 200 45 TYR CE2 C 118.734 0.3 1 486 200 45 TYR N N 123.367 0.3 1 487 201 46 LYS H H 8.856 0.03 1 488 201 46 LYS HA H 4.591 0.03 1 489 201 46 LYS HB2 H 1.73 0.03 1 490 201 46 LYS HB3 H 1.73 0.03 1 491 201 46 LYS HG2 H 1.458 0.03 2 492 201 46 LYS HG3 H 1.274 0.03 2 493 201 46 LYS HD2 H 1.649 0.03 2 494 201 46 LYS HD3 H 1.593 0.03 2 495 201 46 LYS HE2 H 2.914 0.03 1 496 201 46 LYS HE3 H 2.914 0.03 1 497 201 46 LYS C C 176.541 0.3 1 498 201 46 LYS CA C 54.886 0.3 1 499 201 46 LYS CB C 33.883 0.3 1 500 201 46 LYS CG C 24.904 0.3 1 501 201 46 LYS CD C 29.29 0.3 1 502 201 46 LYS CE C 42.331 0.3 1 503 201 46 LYS N N 122.791 0.3 1 504 202 47 TYR H H 9.13 0.03 1 505 202 47 TYR HA H 5.905 0.03 1 506 202 47 TYR HB2 H 2.936 0.03 1 507 202 47 TYR HB3 H 2.936 0.03 1 508 202 47 TYR HD1 H 7.019 0.03 1 509 202 47 TYR HD2 H 7.019 0.03 1 510 202 47 TYR HE1 H 6.744 0.03 1 511 202 47 TYR HE2 H 6.744 0.03 1 512 202 47 TYR C C 176.585 0.3 1 513 202 47 TYR CA C 57.422 0.3 1 514 202 47 TYR CB C 41.526 0.3 1 515 202 47 TYR CD1 C 132.908 0.3 1 516 202 47 TYR CD2 C 132.908 0.3 1 517 202 47 TYR CE1 C 118.263 0.3 1 518 202 47 TYR CE2 C 118.263 0.3 1 519 202 47 TYR N N 125.575 0.3 1 520 203 48 THR H H 9.266 0.03 1 521 203 48 THR HA H 4.543 0.03 1 522 203 48 THR HB H 3.851 0.03 1 523 203 48 THR HG2 H 1.166 0.03 1 524 203 48 THR C C 172.845 0.3 1 525 203 48 THR CA C 62.013 0.3 1 526 203 48 THR CB C 71.795 0.3 1 527 203 48 THR CG2 C 20.952 0.3 1 528 203 48 THR N N 118.773 0.3 1 529 204 49 GLN H H 8.976 0.03 1 530 204 49 GLN HA H 4.272 0.03 1 531 204 49 GLN HB2 H 1.826 0.03 1 532 204 49 GLN HB3 H 1.826 0.03 1 533 204 49 GLN HG2 H 1.719 0.03 2 534 204 49 GLN HG3 H 1.919 0.03 2 535 204 49 GLN HE21 H 7.1 0.03 2 536 204 49 GLN HE22 H 7.3 0.03 2 537 204 49 GLN C C 174.562 0.3 1 538 204 49 GLN CA C 55.889 0.3 1 539 204 49 GLN CB C 30.045 0.3 1 540 204 49 GLN CG C 34.702 0.3 1 541 204 49 GLN N N 127.36 0.3 1 542 204 49 GLN NE2 N 112.77 0.3 1 543 205 50 VAL H H 8.513 0.03 1 544 205 50 VAL HA H 4.336 0.03 1 545 205 50 VAL HB H 1.998 0.03 1 546 205 50 VAL HG1 H 0.668 0.03 1 547 205 50 VAL HG2 H 0.764 0.03 1 548 205 50 VAL C C 175.246 0.3 1 549 205 50 VAL CA C 60.78 0.3 1 550 205 50 VAL CB C 34.536 0.3 1 551 205 50 VAL CG1 C 19.67 0.3 2 552 205 50 VAL CG2 C 21.67 0.3 2 553 205 50 VAL N N 123.634 0.3 1 554 206 51 GLY H H 8.188 0.03 1 555 206 51 GLY HA2 H 4.54 0.03 2 556 206 51 GLY HA3 H 3.81 0.03 2 557 206 51 GLY C C 172.12 0.3 1 558 206 51 GLY CA C 43.905 0.3 1 559 206 51 GLY N N 109.656 0.3 1 560 207 52 PRO HA H 4.536 0.03 1 561 207 52 PRO HB2 H 2.209 0.03 2 562 207 52 PRO HB3 H 1.852 0.03 2 563 207 52 PRO HG2 H 1.216 0.03 2 564 207 52 PRO HG3 H 1.946 0.03 2 565 207 52 PRO HD2 H 3.461 0.03 2 566 207 52 PRO HD3 H 3.571 0.03 2 567 207 52 PRO C C 177.109 0.3 1 568 207 52 PRO CA C 62.201 0.3 1 569 207 52 PRO CB C 32.561 0.3 1 570 207 52 PRO CG C 26.88 0.3 1 571 207 52 PRO CD C 48.797 0.3 1 572 208 53 ASP H H 8.578 0.03 1 573 208 53 ASP HA H 4.003 0.03 1 574 208 53 ASP HB2 H 2.576 0.03 2 575 208 53 ASP HB3 H 2.605 0.03 2 576 208 53 ASP C C 177.069 0.3 1 577 208 53 ASP CA C 57.663 0.3 1 578 208 53 ASP CB C 40.318 0.3 1 579 208 53 ASP N N 118.547 0.3 1 580 209 54 HIS HA H 4.579 0.03 1 581 209 54 HIS HB2 H 3.032 0.03 2 582 209 54 HIS HB3 H 3.322 0.03 2 583 209 54 HIS HD2 H 7.02 0.03 1 584 209 54 HIS HE1 H 7.949 0.03 1 585 209 54 HIS C C 174.683 0.3 1 586 209 54 HIS CA C 56.164 0.3 1 587 209 54 HIS CB C 29.628 0.3 1 588 209 54 HIS CD2 C 119.033 0.3 1 589 209 54 HIS CE1 C 138.747 0.3 1 590 210 55 ASN H H 7.655 0.03 1 591 210 55 ASN HA H 4.77 0.03 1 592 210 55 ASN HB2 H 2.379 0.03 1 593 210 55 ASN HB3 H 2.379 0.03 1 594 210 55 ASN HD21 H 7.437 0.03 2 595 210 55 ASN HD22 H 6.722 0.03 2 596 210 55 ASN C C 172.457 0.3 1 597 210 55 ASN CA C 52.669 0.3 1 598 210 55 ASN CB C 38.169 0.3 1 599 210 55 ASN N N 121.628 0.3 1 600 210 55 ASN ND2 N 110.864 0.3 1 601 211 56 ARG H H 8.238 0.03 1 602 211 56 ARG HA H 4.636 0.03 1 603 211 56 ARG HB2 H 1.63 0.03 1 604 211 56 ARG HB3 H 1.63 0.03 1 605 211 56 ARG HG2 H 1.38 0.03 2 606 211 56 ARG HG3 H 1.631 0.03 2 607 211 56 ARG HD2 H 2.779 0.03 2 608 211 56 ARG HD3 H 2.965 0.03 2 609 211 56 ARG HE H 6.747 0.03 1 610 211 56 ARG C C 176.178 0.3 1 611 211 56 ARG CA C 55.279 0.3 1 612 211 56 ARG CB C 31.043 0.3 1 613 211 56 ARG CG C 25.611 0.3 1 614 211 56 ARG CD C 43.15 0.3 1 615 211 56 ARG N N 122.254 0.3 1 616 212 57 SER H H 8.788 0.03 1 617 212 57 SER HA H 4.571 0.03 1 618 212 57 SER HB2 H 3.811 0.03 2 619 212 57 SER HB3 H 4.037 0.03 2 620 212 57 SER C C 172.11 0.3 1 621 212 57 SER CA C 57.961 0.3 1 622 212 57 SER CB C 64.317 0.3 1 623 212 57 SER N N 117.701 0.3 1 624 213 58 PHE H H 8.521 0.03 1 625 213 58 PHE HA H 5.457 0.03 1 626 213 58 PHE HB2 H 2.363 0.03 2 627 213 58 PHE HB3 H 2.744 0.03 2 628 213 58 PHE HD1 H 6.829 0.03 1 629 213 58 PHE HD2 H 6.829 0.03 1 630 213 58 PHE HE1 H 7.328 0.03 1 631 213 58 PHE HE2 H 7.328 0.03 1 632 213 58 PHE HZ H 7.25 0.03 1 633 213 58 PHE C C 174.477 0.3 1 634 213 58 PHE CA C 57.961 0.3 1 635 213 58 PHE CB C 44.564 0.3 1 636 213 58 PHE CD1 C 131.018 0.3 1 637 213 58 PHE CD2 C 131.018 0.3 1 638 213 58 PHE CE1 C 131.351 0.3 1 639 213 58 PHE CE2 C 131.351 0.3 1 640 213 58 PHE CZ C 130.002 0.3 1 641 213 58 PHE N N 114.344 0.3 1 642 214 59 ILE H H 9.066 0.03 1 643 214 59 ILE HA H 4.71 0.03 1 644 214 59 ILE HB H 1.606 0.03 1 645 214 59 ILE HG12 H 1.375 0.03 2 646 214 59 ILE HG13 H 0.469 0.03 2 647 214 59 ILE HG2 H 0.66 0.03 1 648 214 59 ILE HD1 H 0.638 0.03 1 649 214 59 ILE C C 175.477 0.3 1 650 214 59 ILE CA C 59.736 0.3 1 651 214 59 ILE CB C 40.544 0.3 1 652 214 59 ILE CG1 C 27.599 0.3 1 653 214 59 ILE CG2 C 18.423 0.3 1 654 214 59 ILE CD1 C 13.406 0.3 1 655 214 59 ILE N N 120.432 0.3 1 656 215 60 ALA H H 9.089 0.03 1 657 215 60 ALA HA H 5.273 0.03 1 658 215 60 ALA HB H 1.052 0.03 1 659 215 60 ALA C C 175.166 0.3 1 660 215 60 ALA CA C 50.123 0.3 1 661 215 60 ALA CB C 21.814 0.3 1 662 215 60 ALA N N 127.317 0.3 1 663 216 61 GLU H H 8.787 0.03 1 664 216 61 GLU HA H 5.573 0.03 1 665 216 61 GLU HB2 H 1.951 0.03 2 666 216 61 GLU HB3 H 2.095 0.03 2 667 216 61 GLU HG2 H 2.17 0.03 2 668 216 61 GLU HG3 H 2.205 0.03 2 669 216 61 GLU C C 174.613 0.3 1 670 216 61 GLU CA C 53.873 0.3 1 671 216 61 GLU CB C 35.504 0.3 1 672 216 61 GLU CG C 37.301 0.3 1 673 216 61 GLU N N 120.138 0.3 1 674 217 62 MET H H 8.089 0.03 1 675 217 62 MET HA H 4.517 0.03 1 676 217 62 MET HB2 H 1.471 0.03 2 677 217 62 MET HB3 H 1.913 0.03 2 678 217 62 MET HG2 H 2.008 0.03 2 679 217 62 MET HG3 H 2.248 0.03 2 680 217 62 MET HE H 0.851 0.03 1 681 217 62 MET C C 173.163 0.3 1 682 217 62 MET CA C 56.344 0.3 1 683 217 62 MET CB C 38.019 0.3 1 684 217 62 MET CG C 31.372 0.3 1 685 217 62 MET CE C 15.203 0.3 1 686 217 62 MET N N 120.567 0.3 1 687 218 63 THR H H 8.145 0.03 1 688 218 63 THR HA H 5.3 0.03 1 689 218 63 THR HB H 3.958 0.03 1 690 218 63 THR HG2 H 1.147 0.03 1 691 218 63 THR C C 173.584 0.3 1 692 218 63 THR CA C 60.476 0.3 1 693 218 63 THR CB C 70.636 0.3 1 694 218 63 THR CG2 C 20.952 0.3 1 695 218 63 THR N N 120.331 0.3 1 696 219 64 ILE H H 8.55 0.03 1 697 219 64 ILE HA H 4.56 0.03 1 698 219 64 ILE HB H 1.595 0.03 1 699 219 64 ILE HG12 H 1.015 0.03 2 700 219 64 ILE HG13 H 1.44 0.03 2 701 219 64 ILE HG2 H 0.889 0.03 1 702 219 64 ILE HD1 H 0.848 0.03 1 703 219 64 ILE C C 173.612 0.3 1 704 219 64 ILE CA C 59.776 0.3 1 705 219 64 ILE CB C 42.627 0.3 1 706 219 64 ILE CG1 C 26.341 0.3 1 707 219 64 ILE CG2 C 18.616 0.3 1 708 219 64 ILE CD1 C 15.382 0.3 1 709 219 64 ILE N N 121.26 0.3 1 710 220 65 TYR H H 8.863 0.03 1 711 220 65 TYR HA H 4.546 0.03 1 712 220 65 TYR HB2 H 2.773 0.03 2 713 220 65 TYR HB3 H 2.925 0.03 2 714 220 65 TYR HD1 H 6.826 0.03 1 715 220 65 TYR HD2 H 6.826 0.03 1 716 220 65 TYR HE1 H 6.588 0.03 1 717 220 65 TYR HE2 H 6.588 0.03 1 718 220 65 TYR C C 173.963 0.3 1 719 220 65 TYR CA C 57.743 0.3 1 720 220 65 TYR CB C 39.145 0.3 1 721 220 65 TYR CD1 C 132.761 0.3 1 722 220 65 TYR CD2 C 132.761 0.3 1 723 220 65 TYR CE1 C 117.701 0.3 1 724 220 65 TYR CE2 C 117.701 0.3 1 725 220 65 TYR N N 125.955 0.3 1 726 221 66 ILE H H 8.202 0.03 1 727 221 66 ILE HA H 4.214 0.03 1 728 221 66 ILE HB H 1.971 0.03 1 729 221 66 ILE HG12 H 1.26 0.03 1 730 221 66 ILE HG13 H 1.26 0.03 1 731 221 66 ILE HG2 H 0.848 0.03 1 732 221 66 ILE HD1 H 0.643 0.03 1 733 221 66 ILE C C 176.226 0.3 1 734 221 66 ILE CA C 58.32 0.3 1 735 221 66 ILE CB C 36.267 0.3 1 736 221 66 ILE CG1 C 26.341 0.3 1 737 221 66 ILE CG2 C 18.574 0.3 1 738 221 66 ILE CD1 C 13.227 0.3 1 739 221 66 ILE N N 128.371 0.3 1 740 222 67 LYS H H 8.845 0.03 1 741 222 67 LYS HA H 3.701 0.03 1 742 222 67 LYS HB2 H 1.848 0.03 2 743 222 67 LYS HB3 H 1.91 0.03 2 744 222 67 LYS HG2 H 1.481 0.03 2 745 222 67 LYS HG3 H 1.554 0.03 2 746 222 67 LYS HD2 H 1.766 0.03 1 747 222 67 LYS HD3 H 1.766 0.03 1 748 222 67 LYS HE2 H 3.045 0.03 1 749 222 67 LYS HE3 H 3.045 0.03 1 750 222 67 LYS C C 178.94 0.3 1 751 222 67 LYS CA C 60.334 0.3 1 752 222 67 LYS CB C 32.023 0.3 1 753 222 67 LYS CG C 24.904 0.3 1 754 222 67 LYS CD C 29.55 0.3 1 755 222 67 LYS CE C 42.016 0.3 1 756 222 67 LYS N N 130.709 0.3 1 757 223 68 GLN H H 9.116 0.03 1 758 223 68 GLN HA H 4.061 0.03 1 759 223 68 GLN HB2 H 1.946 0.03 2 760 223 68 GLN HB3 H 2.044 0.03 2 761 223 68 GLN HG2 H 2.441 0.03 1 762 223 68 GLN HG3 H 2.441 0.03 1 763 223 68 GLN HE21 H 7.255 0.03 2 764 223 68 GLN HE22 H 7.668 0.03 2 765 223 68 GLN C C 176.137 0.3 1 766 223 68 GLN CA C 59.058 0.3 1 767 223 68 GLN CB C 28.119 0.3 1 768 223 68 GLN CG C 34.001 0.3 1 769 223 68 GLN N N 116.342 0.3 1 770 223 68 GLN NE2 N 113.071 0.3 1 771 224 69 LEU H H 6.736 0.03 1 772 224 69 LEU HA H 4.536 0.03 1 773 224 69 LEU HB2 H 1.322 0.03 2 774 224 69 LEU HB3 H 1.572 0.03 2 775 224 69 LEU HG H 1.398 0.03 1 776 224 69 LEU HD1 H 0.825 0.03 1 777 224 69 LEU HD2 H 0.798 0.03 1 778 224 69 LEU C C 177.034 0.3 1 779 224 69 LEU CA C 53.828 0.3 1 780 224 69 LEU CB C 44.504 0.3 1 781 224 69 LEU CG C 27.24 0.3 1 782 224 69 LEU CD1 C 22.134 0.3 2 783 224 69 LEU CD2 C 26.341 0.3 2 784 224 69 LEU N N 113.298 0.3 1 785 225 70 GLY H H 7.904 0.03 1 786 225 70 GLY HA2 H 3.854 0.03 2 787 225 70 GLY HA3 H 3.939 0.03 2 788 225 70 GLY C C 173.847 0.3 1 789 225 70 GLY CA C 46.562 0.3 1 790 225 70 GLY N N 109.179 0.3 1 791 226 71 ARG H H 6.763 0.03 1 792 226 71 ARG HA H 4.759 0.03 1 793 226 71 ARG HB2 H 1.612 0.03 2 794 226 71 ARG HB3 H 1.745 0.03 2 795 226 71 ARG HG2 H 1.391 0.03 2 796 226 71 ARG HG3 H 1.31 0.03 2 797 226 71 ARG HD2 H 3.098 0.03 1 798 226 71 ARG HD3 H 3.098 0.03 1 799 226 71 ARG HE H 7.14 0.03 1 800 226 71 ARG C C 173.117 0.3 1 801 226 71 ARG CA C 53.97 0.3 1 802 226 71 ARG CB C 33.906 0.3 1 803 226 71 ARG CG C 25.982 0.3 1 804 226 71 ARG CD C 43.349 0.3 1 805 226 71 ARG CZ C 159.63 0.3 1 806 226 71 ARG N N 113.484 0.3 1 807 226 71 ARG NE N 83.428 0.3 1 808 227 72 ARG H H 8.663 0.03 1 809 227 72 ARG HA H 5.233 0.03 1 810 227 72 ARG HB2 H 1.623 0.03 2 811 227 72 ARG HB3 H 1.69 0.03 2 812 227 72 ARG HG2 H 1.329 0.03 2 813 227 72 ARG HG3 H 1.634 0.03 2 814 227 72 ARG HD2 H 3.096 0.03 1 815 227 72 ARG HD3 H 3.096 0.03 1 816 227 72 ARG C C 176.299 0.3 1 817 227 72 ARG CA C 54.906 0.3 1 818 227 72 ARG CB C 32.45 0.3 1 819 227 72 ARG CG C 28.497 0.3 1 820 227 72 ARG CD C 43.275 0.3 1 821 227 72 ARG N N 121.439 0.3 1 822 228 73 ILE H H 8.737 0.03 1 823 228 73 ILE HA H 4.703 0.03 1 824 228 73 ILE HB H 1.802 0.03 1 825 228 73 ILE HG12 H 0.918 0.03 2 826 228 73 ILE HG13 H 1.174 0.03 2 827 228 73 ILE HG2 H 0.69 0.03 1 828 228 73 ILE HD1 H 0.576 0.03 1 829 228 73 ILE C C 173.69 0.3 1 830 228 73 ILE CA C 59.894 0.3 1 831 228 73 ILE CB C 40.838 0.3 1 832 228 73 ILE CG1 C 25.443 0.3 1 833 228 73 ILE CG2 C 17.32 0.3 1 834 228 73 ILE CD1 C 14.721 0.3 1 835 228 73 ILE N N 116.96 0.3 1 836 229 74 PHE H H 8.773 0.03 1 837 229 74 PHE HA H 5.44 0.03 1 838 229 74 PHE HB2 H 2.902 0.03 2 839 229 74 PHE HB3 H 3.003 0.03 2 840 229 74 PHE HD1 H 7.148 0.03 1 841 229 74 PHE HD2 H 7.148 0.03 1 842 229 74 PHE HE1 H 7.217 0.03 1 843 229 74 PHE HE2 H 7.217 0.03 1 844 229 74 PHE HZ H 7.16 0.03 1 845 229 74 PHE C C 174.17 0.3 1 846 229 74 PHE CA C 56.276 0.3 1 847 229 74 PHE CB C 43.76 0.3 1 848 229 74 PHE CD1 C 132.18 0.3 1 849 229 74 PHE CD2 C 132.18 0.3 1 850 229 74 PHE CE1 C 131.26 0.3 1 851 229 74 PHE CE2 C 131.26 0.3 1 852 229 74 PHE CZ C 133.26 0.3 1 853 229 74 PHE N N 120.859 0.3 1 854 230 75 ALA H H 8.19 0.03 1 855 230 75 ALA HA H 4.464 0.03 1 856 230 75 ALA HB H 1.396 0.03 1 857 230 75 ALA C C 174.726 0.3 1 858 230 75 ALA CA C 51.493 0.3 1 859 230 75 ALA CB C 25.921 0.3 1 860 230 75 ALA N N 124.689 0.3 1 861 231 76 ARG H H 8.475 0.03 1 862 231 76 ARG HA H 5.014 0.03 1 863 231 76 ARG HB2 H 1.68 0.03 1 864 231 76 ARG HB3 H 1.68 0.03 1 865 231 76 ARG HG2 H 1.233 0.03 2 866 231 76 ARG HG3 H 1.331 0.03 2 867 231 76 ARG HD2 H 3.185 0.03 2 868 231 76 ARG HD3 H 3.185 0.03 2 869 231 76 ARG C C 174.733 0.3 1 870 231 76 ARG CA C 55.769 0.3 1 871 231 76 ARG CB C 32.629 0.3 1 872 231 76 ARG CG C 27.958 0.3 1 873 231 76 ARG CD C 43.726 0.3 1 874 231 76 ARG N N 122.757 0.3 1 875 232 77 GLU H H 8.783 0.03 1 876 232 77 GLU HA H 5.009 0.03 1 877 232 77 GLU HB2 H 1.359 0.03 2 878 232 77 GLU HB3 H 2.345 0.03 2 879 232 77 GLU HG2 H 2.23 0.03 2 880 232 77 GLU HG3 H 2.015 0.03 2 881 232 77 GLU C C 174.09 0.3 1 882 232 77 GLU CA C 53.853 0.3 1 883 232 77 GLU CB C 35.144 0.3 1 884 232 77 GLU CG C 34.995 0.3 1 885 232 77 GLU N N 123.263 0.3 1 886 233 78 HIS H H 9.03 0.03 1 887 233 78 HIS HA H 5.607 0.03 1 888 233 78 HIS HB2 H 3.105 0.03 1 889 233 78 HIS HB3 H 3.105 0.03 1 890 233 78 HIS HD2 H 7.021 0.03 1 891 233 78 HIS HE1 H 8.105 0.03 1 892 233 78 HIS C C 175.469 0.3 1 893 233 78 HIS CA C 54.908 0.3 1 894 233 78 HIS CB C 32.214 0.3 1 895 233 78 HIS CD2 C 120.455 0.3 1 896 233 78 HIS CE1 C 138.625 0.3 1 897 233 78 HIS N N 119.205 0.3 1 898 234 79 GLY H H 8.908 0.03 1 899 234 79 GLY HA2 H 3.58 0.03 2 900 234 79 GLY HA3 H 4.481 0.03 2 901 234 79 GLY C C 172.91 0.3 1 902 234 79 GLY CA C 45.241 0.3 1 903 234 79 GLY N N 106.851 0.3 1 904 235 80 SER H H 8.83 0.03 1 905 235 80 SER HA H 4.265 0.03 1 906 235 80 SER HB2 H 3.968 0.03 1 907 235 80 SER HB3 H 3.968 0.03 1 908 235 80 SER C C 173.355 0.3 1 909 235 80 SER CA C 61.194 0.3 1 910 235 80 SER CB C 63.084 0.3 1 911 235 80 SER N N 115.082 0.3 1 912 236 81 ASN H H 7.507 0.03 1 913 236 81 ASN HA H 4.692 0.03 1 914 236 81 ASN HB2 H 2.943 0.03 2 915 236 81 ASN HB3 H 3.081 0.03 2 916 236 81 ASN HD21 H 6.782 0.03 2 917 236 81 ASN HD22 H 7.482 0.03 2 918 236 81 ASN C C 174.378 0.3 1 919 236 81 ASN CA C 51.334 0.3 1 920 236 81 ASN CB C 40.268 0.3 1 921 236 81 ASN N N 112.34 0.3 1 922 236 81 ASN ND2 N 112.973 0.3 1 923 237 82 LYS H H 8.232 0.03 1 924 237 82 LYS HA H 3.128 0.03 1 925 237 82 LYS HB2 H 0.864 0.03 2 926 237 82 LYS HB3 H 0.943 0.03 2 927 237 82 LYS HG2 H -0.278 0.03 2 928 237 82 LYS HG3 H -0.029 0.03 2 929 237 82 LYS HD2 H 0.543 0.03 2 930 237 82 LYS HD3 H 0.746 0.03 2 931 237 82 LYS HE2 H 2.002 0.03 2 932 237 82 LYS HE3 H 2.002 0.03 2 933 237 82 LYS C C 177.315 0.3 1 934 237 82 LYS CA C 61.438 0.3 1 935 237 82 LYS CB C 32.018 0.3 1 936 237 82 LYS CG C 25.657 0.3 1 937 237 82 LYS CD C 28.995 0.3 1 938 237 82 LYS CE C 41.241 0.3 1 939 237 82 LYS N N 119.416 0.3 1 940 238 83 LYS H H 7.717 0.03 1 941 238 83 LYS HA H 3.916 0.03 1 942 238 83 LYS HB2 H 1.683 0.03 2 943 238 83 LYS HB3 H 1.73 0.03 2 944 238 83 LYS HG2 H 1.195 0.03 2 945 238 83 LYS HG3 H 1.393 0.03 2 946 238 83 LYS HD2 H 1.58 0.03 2 947 238 83 LYS HD3 H 1.577 0.03 2 948 238 83 LYS HE2 H 2.889 0.03 1 949 238 83 LYS HE3 H 2.889 0.03 1 950 238 83 LYS C C 179.859 0.3 1 951 238 83 LYS CA C 59.577 0.3 1 952 238 83 LYS CB C 32.09 0.3 1 953 238 83 LYS CG C 25.084 0.3 1 954 238 83 LYS CD C 29.575 0.3 1 955 238 83 LYS CE C 42.014 0.3 1 956 238 83 LYS N N 119.618 0.3 1 957 239 84 LEU H H 8.638 0.03 1 958 239 84 LEU HA H 4.109 0.03 1 959 239 84 LEU HB2 H 1.573 0.03 2 960 239 84 LEU HB3 H 1.636 0.03 2 961 239 84 LEU HG H 1.811 0.03 1 962 239 84 LEU HD1 H 0.898 0.03 1 963 239 84 LEU HD2 H 0.955 0.03 1 964 239 84 LEU C C 180.192 0.3 1 965 239 84 LEU CA C 57.422 0.3 1 966 239 84 LEU CB C 42.151 0.3 1 967 239 84 LEU CG C 27.452 0.3 1 968 239 84 LEU CD1 C 22.86 0.3 2 969 239 84 LEU CD2 C 25.384 0.3 2 970 239 84 LEU N N 120.356 0.3 1 971 240 85 ALA H H 8.143 0.03 1 972 240 85 ALA HA H 3.813 0.03 1 973 240 85 ALA HB H 1.398 0.03 1 974 240 85 ALA C C 178.89 0.3 1 975 240 85 ALA CA C 55.565 0.3 1 976 240 85 ALA CB C 18.257 0.3 1 977 240 85 ALA N N 123.08 0.3 1 978 241 86 ALA H H 8.293 0.03 1 979 241 86 ALA HA H 3.352 0.03 1 980 241 86 ALA HB H 0.871 0.03 1 981 241 86 ALA C C 179.49 0.3 1 982 241 86 ALA CA C 55.474 0.3 1 983 241 86 ALA CB C 17.179 0.3 1 984 241 86 ALA N N 120.038 0.3 1 985 242 87 GLN H H 8.173 0.03 1 986 242 87 GLN HA H 3.805 0.03 1 987 242 87 GLN HB2 H 2.184 0.03 2 988 242 87 GLN HB3 H 2.279 0.03 2 989 242 87 GLN HG2 H 2.367 0.03 2 990 242 87 GLN HG3 H 2.498 0.03 2 991 242 87 GLN HE21 H 6.842 0.03 2 992 242 87 GLN HE22 H 7.23 0.03 2 993 242 87 GLN C C 178.779 0.3 1 994 242 87 GLN CA C 59.802 0.3 1 995 242 87 GLN CB C 29.246 0.3 1 996 242 87 GLN CG C 34.922 0.3 1 997 242 87 GLN N N 117.942 0.3 1 998 242 87 GLN NE2 N 109.915 0.3 1 999 243 88 SER H H 8.085 0.03 1 1000 243 88 SER HA H 4.076 0.03 1 1001 243 88 SER HB2 H 3.886 0.03 2 1002 243 88 SER HB3 H 3.978 0.03 2 1003 243 88 SER C C 176.583 0.3 1 1004 243 88 SER CA C 62.061 0.3 1 1005 243 88 SER CB C 62.991 0.3 1 1006 243 88 SER N N 115.966 0.3 1 1007 244 89 CYS H H 8.466 0.03 1 1008 244 89 CYS HA H 3.746 0.03 1 1009 244 89 CYS HB2 H 2.908 0.03 2 1010 244 89 CYS HB3 H 3.071 0.03 2 1011 244 89 CYS C C 175.297 0.3 1 1012 244 89 CYS CA C 63.544 0.3 1 1013 244 89 CYS CB C 27.187 0.3 1 1014 244 89 CYS N N 124.36 0.3 1 1015 245 90 ALA H H 8.746 0.03 1 1016 245 90 ALA HA H 3.955 0.03 1 1017 245 90 ALA HB H 1.445 0.03 1 1018 245 90 ALA C C 178.922 0.3 1 1019 245 90 ALA CA C 55.31 0.3 1 1020 245 90 ALA CB C 17.51 0.3 1 1021 245 90 ALA N N 119.934 0.3 1 1022 246 91 LEU H H 7.791 0.03 1 1023 246 91 LEU HA H 3.773 0.03 1 1024 246 91 LEU HB2 H 1.319 0.03 2 1025 246 91 LEU HB3 H 2.13 0.03 2 1026 246 91 LEU HG H 1.32 0.03 1 1027 246 91 LEU HD1 H 0.746 0.03 1 1028 246 91 LEU HD2 H 0.85 0.03 1 1029 246 91 LEU C C 177.495 0.3 1 1030 246 91 LEU CA C 58.035 0.3 1 1031 246 91 LEU CB C 41.276 0.3 1 1032 246 91 LEU CG C 26.88 0.3 1 1033 246 91 LEU CD1 C 23.287 0.3 2 1034 246 91 LEU CD2 C 25.786 0.3 2 1035 246 91 LEU N N 116.952 0.3 1 1036 247 92 SER H H 7.669 0.03 1 1037 247 92 SER HA H 4.18 0.03 1 1038 247 92 SER HB2 H 4.074 0.03 2 1039 247 92 SER HB3 H 4.074 0.03 2 1040 247 92 SER C C 178.428 0.3 1 1041 247 92 SER CA C 60.603 0.3 1 1042 247 92 SER CB C 62.87 0.3 1 1043 247 92 SER N N 112.551 0.3 1 1044 248 93 LEU H H 7.93 0.03 1 1045 248 93 LEU HA H 3.834 0.03 1 1046 248 93 LEU HB2 H 1.005 0.03 2 1047 248 93 LEU HB3 H 1.931 0.03 2 1048 248 93 LEU HG H 1.745 0.03 1 1049 248 93 LEU HD1 H 0.526 0.03 1 1050 248 93 LEU HD2 H 0.773 0.03 1 1051 248 93 LEU C C 178.096 0.3 1 1052 248 93 LEU CA C 58.427 0.3 1 1053 248 93 LEU CB C 42.069 0.3 1 1054 248 93 LEU CG C 26.162 0.3 1 1055 248 93 LEU CD1 C 22.548 0.3 2 1056 248 93 LEU CD2 C 27.934 0.3 2 1057 248 93 LEU N N 119.516 0.3 1 1058 249 94 VAL H H 8.656 0.03 1 1059 249 94 VAL HA H 3.029 0.03 1 1060 249 94 VAL HB H 1.713 0.03 1 1061 249 94 VAL HG1 H -0.158 0.03 1 1062 249 94 VAL HG2 H 0.635 0.03 1 1063 249 94 VAL C C 177.565 0.3 1 1064 249 94 VAL CA C 67.437 0.3 1 1065 249 94 VAL CB C 31.551 0.3 1 1066 249 94 VAL CG1 C 20.071 0.3 2 1067 249 94 VAL CG2 C 25.261 0.3 2 1068 249 94 VAL N N 119.562 0.3 1 1069 250 95 ARG H H 8.685 0.03 1 1070 250 95 ARG HA H 3.963 0.03 1 1071 250 95 ARG HB2 H 1.958 0.03 2 1072 250 95 ARG HB3 H 2.041 0.03 2 1073 250 95 ARG HG2 H 1.72 0.03 2 1074 250 95 ARG HG3 H 2.136 0.03 2 1075 250 95 ARG HD2 H 2.96 0.03 2 1076 250 95 ARG HD3 H 2.578 0.03 2 1077 250 95 ARG HE H 7.165 0.03 1 1078 250 95 ARG C C 178.553 0.3 1 1079 250 95 ARG CA C 61.476 0.3 1 1080 250 95 ARG CB C 30.064 0.3 1 1081 250 95 ARG CG C 30.114 0.3 1 1082 250 95 ARG CD C 44.064 0.3 1 1083 250 95 ARG N N 117.825 0.3 1 1084 251 96 GLN H H 7.996 0.03 1 1085 251 96 GLN HA H 4.179 0.03 1 1086 251 96 GLN HB2 H 1.967 0.03 2 1087 251 96 GLN HB3 H 2.208 0.03 2 1088 251 96 GLN HG2 H 2.138 0.03 2 1089 251 96 GLN HG3 H 2.839 0.03 2 1090 251 96 GLN HE21 H 6.428 0.03 2 1091 251 96 GLN HE22 H 7.029 0.03 2 1092 251 96 GLN C C 178.912 0.3 1 1093 251 96 GLN CA C 60.353 0.3 1 1094 251 96 GLN CB C 30.747 0.3 1 1095 251 96 GLN CG C 36.222 0.3 1 1096 251 96 GLN N N 117.831 0.3 1 1097 251 96 GLN NE2 N 108.965 0.3 1 1098 252 97 LEU H H 8.416 0.03 1 1099 252 97 LEU HA H 3.689 0.03 1 1100 252 97 LEU HB2 H 0.802 0.03 2 1101 252 97 LEU HB3 H 1.729 0.03 2 1102 252 97 LEU HG H 1.509 0.03 1 1103 252 97 LEU HD1 H -0.098 0.03 1 1104 252 97 LEU HD2 H 0.379 0.03 1 1105 252 97 LEU C C 179.06 0.3 1 1106 252 97 LEU CA C 58.14 0.3 1 1107 252 97 LEU CB C 41.432 0.3 1 1108 252 97 LEU CG C 26.162 0.3 1 1109 252 97 LEU CD1 C 24.105 0.3 2 1110 252 97 LEU CD2 C 22.748 0.3 2 1111 252 97 LEU N N 119.405 0.3 1 1112 253 98 TYR H H 8.686 0.03 1 1113 253 98 TYR HA H 4.596 0.03 1 1114 253 98 TYR HB2 H 2.92 0.03 2 1115 253 98 TYR HB3 H 3.055 0.03 2 1116 253 98 TYR HD1 H 6.888 0.03 1 1117 253 98 TYR HD2 H 6.888 0.03 1 1118 253 98 TYR HE1 H 6.658 0.03 1 1119 253 98 TYR HE2 H 6.658 0.03 1 1120 253 98 TYR C C 179.458 0.3 1 1121 253 98 TYR CA C 60.662 0.3 1 1122 253 98 TYR CB C 37.763 0.3 1 1123 253 98 TYR N N 122.037 0.3 1 1124 254 99 HIS H H 8.604 0.03 1 1125 254 99 HIS HA H 4.049 0.03 1 1126 254 99 HIS HB2 H 3.288 0.03 2 1127 254 99 HIS HB3 H 3.288 0.03 2 1128 254 99 HIS HD2 H 7.397 0.03 1 1129 254 99 HIS HE1 H 8.105 0.03 1 1130 254 99 HIS C C 176.784 0.3 1 1131 254 99 HIS CA C 59.578 0.3 1 1132 254 99 HIS CB C 28.236 0.3 1 1133 254 99 HIS CD2 C 123.768 0.3 1 1134 254 99 HIS CE1 C 136.649 0.3 1 1135 254 99 HIS N N 120.686 0.3 1 1136 255 100 LEU H H 7.906 0.03 1 1137 255 100 LEU HA H 4.287 0.03 1 1138 255 100 LEU HB2 H 1.589 0.03 2 1139 255 100 LEU HB3 H 1.709 0.03 2 1140 255 100 LEU HG H 1.809 0.03 1 1141 255 100 LEU HD1 H 0.833 0.03 1 1142 255 100 LEU HD2 H 0.671 0.03 1 1143 255 100 LEU C C 177.098 0.3 1 1144 255 100 LEU CA C 55.296 0.3 1 1145 255 100 LEU CB C 43.08 0.3 1 1146 255 100 LEU CG C 26.715 0.3 1 1147 255 100 LEU CD1 C 22.402 0.3 2 1148 255 100 LEU CD2 C 25.623 0.3 2 1149 255 100 LEU N N 117.721 0.3 1 1150 256 101 GLY H H 7.775 0.03 1 1151 256 101 GLY HA2 H 4.006 0.03 2 1152 256 101 GLY HA3 H 3.873 0.03 2 1153 256 101 GLY C C 174.577 0.3 1 1154 256 101 GLY CA C 45.521 0.3 1 1155 256 101 GLY N N 107.93 0.3 1 1156 257 102 VAL H H 7.964 0.03 1 1157 257 102 VAL HA H 3.861 0.03 1 1158 257 102 VAL HB H 1.901 0.03 1 1159 257 102 VAL HG1 H 0.77 0.03 1 1160 257 102 VAL HG2 H 0.876 0.03 1 1161 257 102 VAL C C 175.537 0.3 1 1162 257 102 VAL CA C 63.522 0.3 1 1163 257 102 VAL CB C 32.605 0.3 1 1164 257 102 VAL CG1 C 22.209 0.3 1 1165 257 102 VAL CG2 C 22.209 0.3 1 1166 257 102 VAL N N 117.728 0.3 1 1167 258 103 ILE H H 6.669 0.03 1 1168 258 103 ILE HA H 4.374 0.03 1 1169 258 103 ILE HB H 1.482 0.03 1 1170 258 103 ILE HG12 H 0.547 0.03 2 1171 258 103 ILE HG13 H 1.338 0.03 2 1172 258 103 ILE HG2 H 0.732 0.03 1 1173 258 103 ILE HD1 H 0.255 0.03 1 1174 258 103 ILE C C 173.616 0.3 1 1175 258 103 ILE CA C 59.681 0.3 1 1176 258 103 ILE CB C 41.466 0.3 1 1177 258 103 ILE CG1 C 26.329 0.3 1 1178 258 103 ILE CG2 C 17.179 0.3 1 1179 258 103 ILE CD1 C 14.127 0.3 1 1180 258 103 ILE N N 112.868 0.3 1 1181 259 104 GLU H H 9.174 0.03 1 1182 259 104 GLU HA H 4.584 0.03 1 1183 259 104 GLU HB2 H 2.197 0.03 2 1184 259 104 GLU HB3 H 2.343 0.03 2 1185 259 104 GLU HG2 H 2.548 0.03 1 1186 259 104 GLU HG3 H 2.548 0.03 1 1187 259 104 GLU C C 175.597 0.3 1 1188 259 104 GLU CA C 56.037 0.3 1 1189 259 104 GLU CB C 29.952 0.3 1 1190 259 104 GLU CG C 35.736 0.3 1 1191 259 104 GLU N N 123.424 0.3 1 1192 260 105 ALA H H 8.46 0.03 1 1193 260 105 ALA HA H 4.097 0.03 1 1194 260 105 ALA HB H 1.259 0.03 1 1195 260 105 ALA C C 177.255 0.3 1 1196 260 105 ALA CA C 52.428 0.3 1 1197 260 105 ALA CB C 18.976 0.3 1 1198 260 105 ALA N N 120.34 0.3 1 1199 261 106 TYR H H 7.862 0.03 1 1200 261 106 TYR HA H 3.648 0.03 1 1201 261 106 TYR HB2 H 0.099 0.03 2 1202 261 106 TYR HB3 H 1.52 0.03 2 1203 261 106 TYR HD1 H 6.664 0.03 1 1204 261 106 TYR HD2 H 6.664 0.03 1 1205 261 106 TYR HE1 H 6.678 0.03 1 1206 261 106 TYR HE2 H 6.678 0.03 1 1207 261 106 TYR C C 175.685 0.3 1 1208 261 106 TYR CA C 59.432 0.3 1 1209 261 106 TYR CB C 35.882 0.3 1 1210 261 106 TYR CD1 C 133.409 0.3 1 1211 261 106 TYR CD2 C 133.409 0.3 1 1212 261 106 TYR CE1 C 117.706 0.3 1 1213 261 106 TYR CE2 C 117.706 0.3 1 1214 261 106 TYR N N 123.923 0.3 1 1215 262 107 SER H H 7.186 0.03 1 1216 262 107 SER HA H 4.067 0.03 1 1217 262 107 SER HB2 H 3.47 0.03 2 1218 262 107 SER HB3 H 3.543 0.03 2 1219 262 107 SER C C 173.141 0.3 1 1220 262 107 SER CA C 56.873 0.3 1 1221 262 107 SER CB C 64.357 0.3 1 1222 262 107 SER N N 120.04 0.3 1 1223 263 108 SER H H 7.907 0.03 1 1224 263 108 SER HA H 4.215 0.03 1 1225 263 108 SER HB2 H 3.806 0.03 2 1226 263 108 SER HB3 H 3.74 0.03 2 1227 263 108 SER C C 174.387 0.3 1 1228 263 108 SER CA C 58.193 0.3 1 1229 263 108 SER CB C 63.836 0.3 1 1230 263 108 SER N N 117.614 0.3 1 1231 264 109 GLY H H 8.057 0.03 1 1232 264 109 GLY HA2 H 4.033 0.03 2 1233 264 109 GLY HA3 H 4.058 0.03 2 1234 264 109 GLY C C 171.63 0.3 1 1235 264 109 GLY CA C 44.622 0.3 1 1236 264 109 GLY N N 110.485 0.3 1 1237 265 110 PRO HA H 4.429 0.03 1 1238 265 110 PRO HB2 H 2.253 0.03 2 1239 265 110 PRO HB3 H 1.926 0.03 2 1240 265 110 PRO HG2 H 1.977 0.03 2 1241 265 110 PRO HG3 H 1.977 0.03 2 1242 265 110 PRO HD2 H 3.57 0.03 1 1243 265 110 PRO HD3 H 3.57 0.03 1 1244 265 110 PRO C C 177.33 0.3 1 1245 265 110 PRO CA C 63.167 0.3 1 1246 265 110 PRO CB C 32.142 0.3 1 1247 265 110 PRO CG C 27.108 0.3 1 1248 265 110 PRO CD C 49.753 0.3 1 1249 266 111 SER H H 8.482 0.03 1 1250 266 111 SER HA H 4.455 0.03 1 1251 266 111 SER HB2 H 3.857 0.03 1 1252 266 111 SER HB3 H 3.857 0.03 1 1253 266 111 SER C C 174.632 0.3 1 1254 266 111 SER CA C 58.291 0.3 1 1255 266 111 SER CB C 63.779 0.3 1 1256 266 111 SER N N 116.513 0.3 1 1257 267 112 SER H H 8.299 0.03 1 1258 267 112 SER HA H 4.455 0.03 1 1259 267 112 SER HB2 H 3.86 0.03 1 1260 267 112 SER HB3 H 3.86 0.03 1 1261 267 112 SER C C 173.899 0.3 1 1262 267 112 SER CA C 58.351 0.3 1 1263 267 112 SER CB C 64.032 0.3 1 1264 267 112 SER N N 117.868 0.3 1 1265 268 113 GLY H H 8.013 0.03 1 1266 268 113 GLY C C 178.946 0.3 1 1267 268 113 GLY CA C 46.264 0.3 1 1268 268 113 GLY N N 116.851 0.3 1 stop_ save_