data_17260 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 13C and 15N assignments of the UCHL1 S18Y variant ; _BMRB_accession_number 17260 _BMRB_flat_file_name bmr17260.str _Entry_type original _Submission_date 2010-10-20 _Accession_date 2010-10-20 _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 Tse 'Ho Sum' . . 2 Sze 'Kong Hung' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1146 "13C chemical shifts" 842 "15N chemical shifts" 236 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-13 update BMRB 'update entry citation' 2011-02-10 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16537 UCH-L1 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side-chain 1H, 15N and 13C resonance assignments of S18Y mutant of ubiquitin carboxy-terminal hydrolase L1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21298373 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tse Ho-Sum . . 2 Hu Hong-Yu . . 3 Sze Kong-Hung . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 165 _Page_last 168 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UCHL1 S18Y variant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UCHL1 S18Y variant' $UCHL1_S18Y_variant 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_UCHL1_S18Y_variant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UCHL1_S18Y_variant _Molecular_mass . _Mol_thiol_state unknown loop_ _Biological_function 'ubiquitin C-terminal hydrolases' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 231 _Mol_residue_sequence ; MQLKPMEINPEMLNKVLYRL GVAGQWRFVDVLGLEEESLG SVPAPACALLLLFPLTAQHE NFRKKQIEELKGQEVSPKVY FMKQTIGNSCGTIGLIHAVA NNQDKLGFEDGSVLKQFLSE TEKMSPEDRAKCFEKNEAIQ AAHDAVAQEGQCRVDDKVNF HFILFNNVDGHLYELDGRMP FPVNHGASSEDTLLKDAAKV CREFTEREQGEVRFSAVALC KAALEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 LEU 4 LYS 5 PRO 6 MET 7 GLU 8 ILE 9 ASN 10 PRO 11 GLU 12 MET 13 LEU 14 ASN 15 LYS 16 VAL 17 LEU 18 TYR 19 ARG 20 LEU 21 GLY 22 VAL 23 ALA 24 GLY 25 GLN 26 TRP 27 ARG 28 PHE 29 VAL 30 ASP 31 VAL 32 LEU 33 GLY 34 LEU 35 GLU 36 GLU 37 GLU 38 SER 39 LEU 40 GLY 41 SER 42 VAL 43 PRO 44 ALA 45 PRO 46 ALA 47 CYS 48 ALA 49 LEU 50 LEU 51 LEU 52 LEU 53 PHE 54 PRO 55 LEU 56 THR 57 ALA 58 GLN 59 HIS 60 GLU 61 ASN 62 PHE 63 ARG 64 LYS 65 LYS 66 GLN 67 ILE 68 GLU 69 GLU 70 LEU 71 LYS 72 GLY 73 GLN 74 GLU 75 VAL 76 SER 77 PRO 78 LYS 79 VAL 80 TYR 81 PHE 82 MET 83 LYS 84 GLN 85 THR 86 ILE 87 GLY 88 ASN 89 SER 90 CYS 91 GLY 92 THR 93 ILE 94 GLY 95 LEU 96 ILE 97 HIS 98 ALA 99 VAL 100 ALA 101 ASN 102 ASN 103 GLN 104 ASP 105 LYS 106 LEU 107 GLY 108 PHE 109 GLU 110 ASP 111 GLY 112 SER 113 VAL 114 LEU 115 LYS 116 GLN 117 PHE 118 LEU 119 SER 120 GLU 121 THR 122 GLU 123 LYS 124 MET 125 SER 126 PRO 127 GLU 128 ASP 129 ARG 130 ALA 131 LYS 132 CYS 133 PHE 134 GLU 135 LYS 136 ASN 137 GLU 138 ALA 139 ILE 140 GLN 141 ALA 142 ALA 143 HIS 144 ASP 145 ALA 146 VAL 147 ALA 148 GLN 149 GLU 150 GLY 151 GLN 152 CYS 153 ARG 154 VAL 155 ASP 156 ASP 157 LYS 158 VAL 159 ASN 160 PHE 161 HIS 162 PHE 163 ILE 164 LEU 165 PHE 166 ASN 167 ASN 168 VAL 169 ASP 170 GLY 171 HIS 172 LEU 173 TYR 174 GLU 175 LEU 176 ASP 177 GLY 178 ARG 179 MET 180 PRO 181 PHE 182 PRO 183 VAL 184 ASN 185 HIS 186 GLY 187 ALA 188 SER 189 SER 190 GLU 191 ASP 192 THR 193 LEU 194 LEU 195 LYS 196 ASP 197 ALA 198 ALA 199 LYS 200 VAL 201 CYS 202 ARG 203 GLU 204 PHE 205 THR 206 GLU 207 ARG 208 GLU 209 GLN 210 GLY 211 GLU 212 VAL 213 ARG 214 PHE 215 SER 216 ALA 217 VAL 218 ALA 219 LEU 220 CYS 221 LYS 222 ALA 223 ALA 224 LEU 225 GLU 226 HIS 227 HIS 228 HIS 229 HIS 230 HIS 231 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 16537 UCH-L1 96.54 223 99.55 99.55 1.57e-161 PDB 2ETL "Crystal Structure Of Ubiquitin Carboxy-terminal Hydrolase L1 (uch-l1)" 96.54 228 99.55 99.55 4.00e-161 PDB 2LEN "Solution Structure Of Uchl1 S18y Variant" 100.00 231 100.00 100.00 1.75e-169 PDB 3IFW "Crystal Structure Of The S18y Variant Of Ubiquitin Carboxy T Hydrolase L1 Bound To Ubiquitin Vinylmethylester." 96.54 228 100.00 100.00 1.93e-162 PDB 3IRT "Crystal Structure Of The I93m Mutant Of Ubiquitin Carboxy-Te Hydrolase L1" 96.54 228 99.10 99.55 1.36e-160 PDB 3KVF "Crystal Structure Of The I93m Mutant Of Ubiquitin Carboxy Te Hydrolase L1 Bound To Ubiquitin Vinylmethylester" 96.54 228 99.10 99.55 1.36e-160 PDB 3KW5 "Crystal Structure Of Ubiquitin Carboxy Terminal Hydrolase L1 Ubiquitin Vinylmethylester" 96.54 228 99.55 99.55 4.00e-161 PDB 4DM9 "The Crystal Structure Of Ubiquitin Carboxy-Terminal Hydrolase L1 (Uchl1) Bound To A Tripeptide Fluoromethyl Ketone Z-Vae(Ome)-F" 96.54 228 99.55 99.55 4.00e-161 PDB 4JKJ "Crystal Structure Of The S18y Variant Of Ubiquitin Carboxy-terminal Hydrolase L1" 96.54 228 100.00 100.00 1.93e-162 DBJ BAA28214 "PGP9.5 [Equus caballus]" 60.17 139 98.56 99.28 1.48e-94 DBJ BAB33087 "hypothetical protein [Macaca fascicularis]" 61.47 142 98.59 99.30 1.34e-96 DBJ BAD51987 "ubiquitin carboxyl-terminal esterase L1 [Macaca fascicularis]" 96.54 223 98.21 99.10 2.55e-159 DBJ BAE87282 "unnamed protein product [Macaca fascicularis]" 96.54 223 98.65 99.10 5.63e-160 DBJ BAG37761 "unnamed protein product [Homo sapiens]" 96.54 223 99.55 99.55 1.31e-161 EMBL CAA28443 "unnamed protein product [Homo sapiens]" 91.77 212 99.53 99.53 2.27e-152 GB AAD09172 "ubiquitin carboxy-terminal hydrolase L1 [Homo sapiens]" 90.04 208 99.52 99.52 2.43e-149 GB AAH00332 "Ubiquitin carboxyl-terminal esterase L1 (ubiquitin thiolesterase) [Homo sapiens]" 96.54 223 99.55 99.55 1.57e-161 GB AAH05117 "Ubiquitin carboxyl-terminal esterase L1 (ubiquitin thiolesterase) [Homo sapiens]" 96.54 223 99.55 99.55 1.57e-161 GB AAH06305 "Ubiquitin carboxyl-terminal esterase L1 (ubiquitin thiolesterase) [Homo sapiens]" 96.54 223 99.55 99.55 1.57e-161 GB AAY40923 "unknown [Homo sapiens]" 96.54 223 99.55 99.55 1.57e-161 REF NP_004172 "ubiquitin carboxyl-terminal hydrolase isozyme L1 [Homo sapiens]" 96.54 223 99.55 99.55 1.57e-161 REF XP_002745940 "PREDICTED: ubiquitin carboxyl-terminal hydrolase isozyme L1 [Callithrix jacchus]" 96.54 223 98.65 99.10 1.45e-160 REF XP_002814743 "PREDICTED: ubiquitin carboxyl-terminal hydrolase isozyme L1 [Pongo abelii]" 96.54 223 99.55 99.55 1.57e-161 REF XP_003258669 "PREDICTED: ubiquitin carboxyl-terminal hydrolase isozyme L1 isoform X3 [Nomascus leucogenys]" 96.54 223 99.55 99.55 1.76e-161 REF XP_003800742 "PREDICTED: ubiquitin carboxyl-terminal hydrolase isozyme L1 [Otolemur garnettii]" 96.54 223 97.31 98.21 3.38e-157 SP P09936 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase isozyme L1; Short=UCH-L1; AltName: Full=Neuron cytoplasmic protein 9.5; Alt" 96.54 223 99.55 99.55 1.57e-161 SP Q60HC8 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase isozyme L1; Short=UCH-L1; AltName: Full=Ubiquitin thioesterase L1; Flags: P" 96.54 223 98.21 99.10 2.55e-159 SP Q9GM50 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase isozyme L1; Short=UCH-L1; AltName: Full=Neuron cytoplasmic protein 9.5; Alt" 96.54 223 97.31 98.65 1.34e-157 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UCHL1_S18Y_variant Human 9606 Eukaryota Metazoa Homo sapiens 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 $UCHL1_S18Y_variant 'recombinant technology' . Escherichia coli 'Rosetta BL21' pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $UCHL1_S18Y_variant . mM 0.7 0.8 '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' DTT 3 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 100 . mM pH 6.5 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HN(CA)CO' 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 'UCHL1 S18Y variant' _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 1 1 MET C C 179.613 0.400 1 2 2 2 GLN H H 8.670 0.020 1 3 2 2 GLN HA H 4.614 0.020 1 4 2 2 GLN HB2 H 2.066 0.020 2 5 2 2 GLN HB3 H 1.842 0.020 2 6 2 2 GLN HE21 H 7.515 0.020 2 7 2 2 GLN HE22 H 6.860 0.020 2 8 2 2 GLN HG2 H 2.309 0.020 2 9 2 2 GLN HG3 H 2.186 0.020 2 10 2 2 GLN C C 174.169 0.400 1 11 2 2 GLN CA C 55.088 0.400 1 12 2 2 GLN CB C 31.680 0.400 1 13 2 2 GLN CG C 33.050 0.400 1 14 2 2 GLN N N 121.838 0.400 1 15 2 2 GLN NE2 N 112.178 0.400 1 16 3 3 LEU H H 7.826 0.020 1 17 3 3 LEU HA H 4.655 0.020 1 18 3 3 LEU HB2 H 1.353 0.020 2 19 3 3 LEU HB3 H 1.201 0.020 2 20 3 3 LEU HD1 H 0.632 0.020 2 21 3 3 LEU HD2 H 0.166 0.020 2 22 3 3 LEU HG H 1.338 0.020 1 23 3 3 LEU C C 177.009 0.400 1 24 3 3 LEU CA C 53.323 0.400 1 25 3 3 LEU CB C 41.993 0.400 1 26 3 3 LEU CD1 C 22.127 0.400 1 27 3 3 LEU CD2 C 23.774 0.400 1 28 3 3 LEU CG C 26.633 0.400 1 29 3 3 LEU N N 122.198 0.400 1 30 4 4 LYS H H 9.588 0.020 1 31 4 4 LYS C C 174.668 0.400 1 32 4 4 LYS CA C 55.242 0.400 1 33 4 4 LYS N N 123.144 0.400 1 34 5 5 PRO HA H 4.372 0.020 1 35 5 5 PRO HB2 H 1.860 0.020 2 36 5 5 PRO HB3 H 1.860 0.020 2 37 5 5 PRO C C 175.276 0.400 1 38 5 5 PRO CA C 63.039 0.400 1 39 5 5 PRO CB C 31.890 0.400 1 40 6 6 MET H H 8.170 0.020 1 41 6 6 MET HA H 4.450 0.020 1 42 6 6 MET HB2 H 1.958 0.020 2 43 6 6 MET HB3 H 1.648 0.020 2 44 6 6 MET HG2 H 2.324 0.020 2 45 6 6 MET HG3 H 2.257 0.020 2 46 6 6 MET C C 174.626 0.400 1 47 6 6 MET CA C 53.924 0.400 1 48 6 6 MET CB C 37.366 0.400 1 49 6 6 MET N N 119.446 0.400 1 50 7 7 GLU H H 8.648 0.020 1 51 7 7 GLU HA H 3.975 0.020 1 52 7 7 GLU HB2 H 1.774 0.020 2 53 7 7 GLU HB3 H 1.774 0.020 2 54 7 7 GLU HG2 H 2.143 0.020 2 55 7 7 GLU HG3 H 2.075 0.020 2 56 7 7 GLU C C 174.445 0.400 1 57 7 7 GLU CA C 56.283 0.400 1 58 7 7 GLU CB C 29.825 0.400 1 59 7 7 GLU CG C 36.450 0.400 1 60 7 7 GLU N N 126.699 0.400 1 61 8 8 ILE H H 8.050 0.020 1 62 8 8 ILE HA H 3.416 0.020 1 63 8 8 ILE HB H 1.345 0.020 1 64 8 8 ILE HG12 H 0.324 0.020 2 65 8 8 ILE HG13 H 0.324 0.020 2 66 8 8 ILE HG2 H -0.398 0.020 1 67 8 8 ILE C C 173.780 0.400 1 68 8 8 ILE CA C 61.347 0.400 1 69 8 8 ILE CB C 35.659 0.400 1 70 8 8 ILE CG1 C 13.479 0.400 1 71 8 8 ILE CG2 C 17.079 0.400 1 72 8 8 ILE N N 122.906 0.400 1 73 9 9 ASN H H 6.932 0.020 1 74 9 9 ASN HA H 4.495 0.020 1 75 9 9 ASN HB2 H 2.816 0.020 2 76 9 9 ASN HB3 H 2.816 0.020 2 77 9 9 ASN C C 172.721 0.400 1 78 9 9 ASN CA C 50.695 0.400 1 79 9 9 ASN CB C 37.106 0.400 1 80 9 9 ASN N N 121.516 0.400 1 81 10 10 PRO HA H 3.847 0.020 1 82 10 10 PRO HB2 H 2.233 0.020 1 83 10 10 PRO HB3 H 1.949 0.020 1 84 10 10 PRO C C 175.953 0.400 1 85 10 10 PRO CA C 67.238 0.400 1 86 10 10 PRO CB C 31.394 0.400 1 87 11 11 GLU H H 7.985 0.020 1 88 11 11 GLU HA H 4.081 0.020 1 89 11 11 GLU HB2 H 1.992 0.020 2 90 11 11 GLU HB3 H 1.992 0.020 2 91 11 11 GLU HG2 H 2.226 0.020 2 92 11 11 GLU HG3 H 2.226 0.020 2 93 11 11 GLU C C 179.916 0.400 1 94 11 11 GLU CA C 59.766 0.400 1 95 11 11 GLU CB C 29.037 0.400 1 96 11 11 GLU CG C 36.080 0.400 1 97 11 11 GLU N N 116.886 0.400 1 98 12 12 MET H H 8.331 0.020 1 99 12 12 MET HA H 4.248 0.020 1 100 12 12 MET C C 179.073 0.400 1 101 12 12 MET CA C 57.091 0.400 1 102 12 12 MET CB C 31.926 0.400 1 103 12 12 MET N N 117.345 0.400 1 104 13 13 LEU H H 8.082 0.020 1 105 13 13 LEU HA H 3.720 0.020 1 106 13 13 LEU HB2 H 1.286 0.020 2 107 13 13 LEU HB3 H 1.286 0.020 2 108 13 13 LEU HD1 H 0.345 0.020 2 109 13 13 LEU HD2 H 0.018 0.020 2 110 13 13 LEU HG H 1.399 0.020 1 111 13 13 LEU C C 179.355 0.400 1 112 13 13 LEU CA C 57.913 0.400 1 113 13 13 LEU CB C 42.268 0.400 1 114 13 13 LEU CD1 C 21.556 0.400 1 115 13 13 LEU CD2 C 25.711 0.400 1 116 13 13 LEU CG C 26.557 0.400 1 117 13 13 LEU N N 117.477 0.400 1 118 14 14 ASN H H 8.977 0.020 1 119 14 14 ASN HA H 4.756 0.020 1 120 14 14 ASN HB2 H 2.788 0.020 2 121 14 14 ASN HB3 H 2.788 0.020 2 122 14 14 ASN HD21 H 7.537 0.020 2 123 14 14 ASN HD22 H 7.370 0.020 2 124 14 14 ASN C C 178.537 0.400 1 125 14 14 ASN CA C 55.905 0.400 1 126 14 14 ASN CB C 37.123 0.400 1 127 14 14 ASN N N 117.213 0.400 1 128 14 14 ASN ND2 N 110.559 0.400 1 129 15 15 LYS H H 7.656 0.020 1 130 15 15 LYS HA H 4.210 0.020 1 131 15 15 LYS HB2 H 1.850 0.020 2 132 15 15 LYS HB3 H 1.850 0.020 2 133 15 15 LYS HD2 H 1.685 0.020 2 134 15 15 LYS HD3 H 1.585 0.020 2 135 15 15 LYS HE2 H 2.995 0.020 2 136 15 15 LYS HE3 H 2.995 0.020 2 137 15 15 LYS HG2 H 1.521 0.020 2 138 15 15 LYS HG3 H 1.521 0.020 2 139 15 15 LYS C C 180.071 0.400 1 140 15 15 LYS CA C 60.545 0.400 1 141 15 15 LYS CB C 33.554 0.400 1 142 15 15 LYS N N 121.052 0.400 1 143 16 16 VAL H H 7.959 0.020 1 144 16 16 VAL HA H 3.410 0.020 1 145 16 16 VAL HB H 2.221 0.020 1 146 16 16 VAL HG1 H 0.951 0.020 2 147 16 16 VAL HG2 H 0.951 0.020 2 148 16 16 VAL C C 177.448 0.400 1 149 16 16 VAL CA C 67.899 0.400 1 150 16 16 VAL CB C 30.761 0.400 1 151 16 16 VAL CG2 C 23.040 0.400 1 152 16 16 VAL N N 120.574 0.400 1 153 17 17 LEU H H 8.609 0.020 1 154 17 17 LEU HA H 3.773 0.020 1 155 17 17 LEU HB2 H 2.086 0.020 2 156 17 17 LEU HB3 H 1.782 0.020 2 157 17 17 LEU HD1 H 0.930 0.020 2 158 17 17 LEU HD2 H 0.820 0.020 2 159 17 17 LEU C C 178.359 0.400 1 160 17 17 LEU CA C 58.911 0.400 1 161 17 17 LEU CB C 43.000 0.400 1 162 17 17 LEU CD1 C 25.630 0.400 1 163 17 17 LEU N N 119.864 0.400 1 164 18 18 TYR H H 7.765 0.020 1 165 18 18 TYR HA H 4.629 0.020 1 166 18 18 TYR HB2 H 3.247 0.020 2 167 18 18 TYR HB3 H 3.247 0.020 2 168 18 18 TYR C C 181.254 0.400 1 169 18 18 TYR CA C 60.025 0.400 1 170 18 18 TYR CB C 37.567 0.400 1 171 18 18 TYR N N 115.848 0.400 1 172 19 19 ARG H H 8.348 0.020 1 173 19 19 ARG HA H 4.071 0.020 1 174 19 19 ARG HB2 H 1.937 0.020 2 175 19 19 ARG HB3 H 1.937 0.020 2 176 19 19 ARG HD2 H 3.260 0.020 2 177 19 19 ARG HD3 H 3.260 0.020 2 178 19 19 ARG HG2 H 1.883 0.020 2 179 19 19 ARG HG3 H 1.883 0.020 2 180 19 19 ARG C C 178.612 0.400 1 181 19 19 ARG CA C 58.847 0.400 1 182 19 19 ARG CB C 30.293 0.400 1 183 19 19 ARG CD C 42.950 0.400 1 184 19 19 ARG CG C 29.033 0.400 1 185 19 19 ARG N N 121.997 0.400 1 186 20 20 LEU H H 8.263 0.020 1 187 20 20 LEU HA H 4.322 0.020 1 188 20 20 LEU HB2 H 1.934 0.020 2 189 20 20 LEU HB3 H 1.934 0.020 2 190 20 20 LEU HD1 H 0.815 0.020 2 191 20 20 LEU HD2 H 0.815 0.020 2 192 20 20 LEU C C 177.488 0.400 1 193 20 20 LEU CA C 54.716 0.400 1 194 20 20 LEU CB C 41.026 0.400 1 195 20 20 LEU N N 115.667 0.400 1 196 21 21 GLY H H 8.080 0.020 1 197 21 21 GLY HA2 H 4.037 0.020 2 198 21 21 GLY HA3 H 4.037 0.020 2 199 21 21 GLY C C 173.358 0.400 1 200 21 21 GLY CA C 46.997 0.400 1 201 21 21 GLY N N 109.005 0.400 1 202 22 22 VAL H H 7.898 0.020 1 203 22 22 VAL HA H 4.143 0.020 1 204 22 22 VAL HB H 1.910 0.020 1 205 22 22 VAL HG1 H 0.950 0.020 2 206 22 22 VAL HG2 H 0.950 0.020 2 207 22 22 VAL C C 175.087 0.400 1 208 22 22 VAL CA C 63.161 0.400 1 209 22 22 VAL CB C 31.318 0.400 1 210 22 22 VAL CG2 C 21.259 0.400 1 211 22 22 VAL N N 121.718 0.400 1 212 23 23 ALA H H 8.348 0.020 1 213 23 23 ALA HA H 4.527 0.020 1 214 23 23 ALA HB H 1.313 0.020 1 215 23 23 ALA C C 178.231 0.400 1 216 23 23 ALA CA C 52.041 0.400 1 217 23 23 ALA CB C 20.444 0.400 1 218 23 23 ALA N N 130.941 0.400 1 219 24 24 GLY H H 8.541 0.020 1 220 24 24 GLY HA2 H 4.120 0.020 2 221 24 24 GLY HA3 H 4.120 0.020 2 222 24 24 GLY C C 175.027 0.400 1 223 24 24 GLY CA C 45.841 0.400 1 224 24 24 GLY N N 106.772 0.400 1 225 25 25 GLN H H 8.140 0.020 1 226 25 25 GLN HA H 4.089 0.020 1 227 25 25 GLN HB2 H 2.101 0.020 1 228 25 25 GLN HB3 H 1.909 0.020 1 229 25 25 GLN HE21 H 6.894 0.020 2 230 25 25 GLN HE22 H 7.516 0.020 2 231 25 25 GLN HG2 H 2.292 0.020 2 232 25 25 GLN HG3 H 2.292 0.020 2 233 25 25 GLN C C 175.046 0.400 1 234 25 25 GLN CA C 57.498 0.400 1 235 25 25 GLN CB C 29.101 0.400 1 236 25 25 GLN CG C 34.700 0.400 1 237 25 25 GLN N N 117.517 0.400 1 238 25 25 GLN NE2 N 112.059 0.400 1 239 26 26 TRP H H 7.758 0.020 1 240 26 26 TRP HA H 4.957 0.020 1 241 26 26 TRP HB2 H 2.645 0.020 2 242 26 26 TRP HB3 H 2.645 0.020 2 243 26 26 TRP HE1 H 9.860 0.020 1 244 26 26 TRP C C 175.083 0.400 1 245 26 26 TRP CA C 55.935 0.400 1 246 26 26 TRP CB C 29.667 0.400 1 247 26 26 TRP N N 119.066 0.400 1 248 26 26 TRP NE1 N 129.443 0.400 1 249 27 27 ARG H H 9.199 0.020 1 250 27 27 ARG HA H 4.420 0.020 1 251 27 27 ARG HB2 H 1.830 0.020 2 252 27 27 ARG HB3 H 1.674 0.020 2 253 27 27 ARG HD2 H 3.158 0.020 2 254 27 27 ARG HD3 H 3.071 0.020 2 255 27 27 ARG HG2 H 1.590 0.020 1 256 27 27 ARG HG3 H 1.461 0.020 1 257 27 27 ARG C C 174.986 0.400 1 258 27 27 ARG CA C 53.999 0.400 1 259 27 27 ARG CB C 34.079 0.400 1 260 27 27 ARG CD C 43.340 0.400 1 261 27 27 ARG CG C 27.620 0.400 1 262 27 27 ARG N N 118.968 0.400 1 263 28 28 PHE H H 10.426 0.020 1 264 28 28 PHE HA H 5.666 0.020 1 265 28 28 PHE HB2 H 3.002 0.020 2 266 28 28 PHE HB3 H 2.656 0.020 2 267 28 28 PHE C C 177.383 0.400 1 268 28 28 PHE CA C 58.830 0.400 1 269 28 28 PHE CB C 39.848 0.400 1 270 28 28 PHE N N 121.273 0.400 1 271 29 29 VAL H H 9.386 0.020 1 272 29 29 VAL HA H 4.667 0.020 1 273 29 29 VAL HB H 2.297 0.020 1 274 29 29 VAL HG1 H 0.968 0.020 2 275 29 29 VAL HG2 H 0.968 0.020 2 276 29 29 VAL C C 174.933 0.400 1 277 29 29 VAL CA C 59.587 0.400 1 278 29 29 VAL CB C 36.027 0.400 1 279 29 29 VAL CG1 C 21.259 0.400 1 280 29 29 VAL N N 116.227 0.400 1 281 30 30 ASP H H 8.799 0.020 1 282 30 30 ASP HA H 4.730 0.020 1 283 30 30 ASP HB2 H 2.551 0.020 2 284 30 30 ASP HB3 H 2.551 0.020 2 285 30 30 ASP C C 175.415 0.400 1 286 30 30 ASP CA C 55.984 0.400 1 287 30 30 ASP CB C 42.407 0.400 1 288 30 30 ASP N N 122.500 0.400 1 289 31 31 VAL H H 7.992 0.020 1 290 31 31 VAL HA H 4.101 0.020 1 291 31 31 VAL HB H 1.863 0.020 1 292 31 31 VAL HG1 H 0.838 0.020 2 293 31 31 VAL HG2 H 0.838 0.020 2 294 31 31 VAL C C 176.188 0.400 1 295 31 31 VAL CA C 61.806 0.400 1 296 31 31 VAL CB C 31.994 0.400 1 297 31 31 VAL CG1 C 22.142 0.400 1 298 31 31 VAL N N 122.651 0.400 1 299 32 32 LEU H H 8.950 0.020 1 300 32 32 LEU HA H 4.210 0.020 1 301 32 32 LEU HB2 H 1.665 0.020 2 302 32 32 LEU HB3 H 1.665 0.020 2 303 32 32 LEU HD1 H 0.960 0.020 2 304 32 32 LEU HD2 H 0.885 0.020 2 305 32 32 LEU HG H 1.668 0.020 1 306 32 32 LEU C C 176.990 0.400 1 307 32 32 LEU CA C 56.914 0.400 1 308 32 32 LEU CB C 41.236 0.400 1 309 32 32 LEU CD1 C 24.813 0.400 1 310 32 32 LEU CD2 C 23.360 0.400 1 311 32 32 LEU N N 127.844 0.400 1 312 33 33 GLY H H 7.391 0.020 1 313 33 33 GLY HA2 H 4.093 0.020 2 314 33 33 GLY HA3 H 3.774 0.020 2 315 33 33 GLY C C 171.142 0.400 1 316 33 33 GLY CA C 44.828 0.400 1 317 33 33 GLY N N 105.778 0.400 1 318 34 34 LEU H H 8.266 0.020 1 319 34 34 LEU HA H 4.336 0.020 1 320 34 34 LEU HB2 H 1.523 0.020 2 321 34 34 LEU HB3 H 1.523 0.020 2 322 34 34 LEU HD1 H 0.623 0.020 2 323 34 34 LEU HD2 H 0.623 0.020 2 324 34 34 LEU HG H 1.513 0.020 1 325 34 34 LEU C C 176.932 0.400 1 326 34 34 LEU CA C 53.566 0.400 1 327 34 34 LEU CB C 42.688 0.400 1 328 34 34 LEU CD1 C 25.782 0.400 1 329 34 34 LEU CD2 C 22.276 0.400 1 330 34 34 LEU CG C 26.810 0.400 1 331 34 34 LEU N N 115.760 0.400 1 332 35 35 GLU H H 8.000 0.020 1 333 35 35 GLU HA H 4.185 0.020 1 334 35 35 GLU HB2 H 2.224 0.020 1 335 35 35 GLU HB3 H 2.011 0.020 1 336 35 35 GLU HG2 H 2.334 0.020 2 337 35 35 GLU HG3 H 2.334 0.020 2 338 35 35 GLU C C 177.774 0.400 1 339 35 35 GLU CA C 56.387 0.400 1 340 35 35 GLU CB C 28.929 0.400 1 341 35 35 GLU CG C 36.410 0.400 1 342 35 35 GLU N N 117.505 0.400 1 343 36 36 GLU H H 8.980 0.020 1 344 36 36 GLU HA H 3.708 0.020 1 345 36 36 GLU HB2 H 1.998 0.020 2 346 36 36 GLU HB3 H 1.998 0.020 2 347 36 36 GLU HG2 H 2.265 0.020 2 348 36 36 GLU HG3 H 2.198 0.020 2 349 36 36 GLU C C 179.308 0.400 1 350 36 36 GLU CA C 60.750 0.400 1 351 36 36 GLU CB C 29.174 0.400 1 352 36 36 GLU CG C 37.021 0.400 1 353 36 36 GLU N N 122.847 0.400 1 354 37 37 GLU H H 9.214 0.020 1 355 37 37 GLU HA H 4.071 0.020 1 356 37 37 GLU HB2 H 2.038 0.020 2 357 37 37 GLU HB3 H 2.038 0.020 2 358 37 37 GLU HG2 H 2.294 0.020 2 359 37 37 GLU HG3 H 2.294 0.020 2 360 37 37 GLU C C 178.548 0.400 1 361 37 37 GLU CA C 59.310 0.400 1 362 37 37 GLU CB C 28.675 0.400 1 363 37 37 GLU CG C 36.530 0.400 1 364 37 37 GLU N N 117.181 0.400 1 365 38 38 SER H H 7.625 0.020 1 366 38 38 SER HA H 4.439 0.020 1 367 38 38 SER HB2 H 3.791 0.020 2 368 38 38 SER HB3 H 3.791 0.020 2 369 38 38 SER C C 176.550 0.400 1 370 38 38 SER CA C 60.069 0.400 1 371 38 38 SER CB C 63.309 0.400 1 372 38 38 SER N N 115.333 0.400 1 373 39 39 LEU H H 7.678 0.020 1 374 39 39 LEU HA H 4.085 0.020 1 375 39 39 LEU HB2 H 1.755 0.020 1 376 39 39 LEU HB3 H 1.419 0.020 1 377 39 39 LEU HD1 H 0.704 0.020 2 378 39 39 LEU HD2 H 0.666 0.020 2 379 39 39 LEU HG H 1.762 0.020 1 380 39 39 LEU C C 179.196 0.400 1 381 39 39 LEU CA C 56.904 0.400 1 382 39 39 LEU CB C 41.143 0.400 1 383 39 39 LEU CD1 C 21.516 0.400 1 384 39 39 LEU CD2 C 26.092 0.400 1 385 39 39 LEU CG C 25.850 0.400 1 386 39 39 LEU N N 121.038 0.400 1 387 40 40 GLY H H 8.045 0.020 1 388 40 40 GLY HA2 H 4.091 0.020 2 389 40 40 GLY HA3 H 3.912 0.020 2 390 40 40 GLY C C 174.336 0.400 1 391 40 40 GLY CA C 46.295 0.400 1 392 40 40 GLY N N 105.809 0.400 1 393 41 41 SER H H 7.453 0.020 1 394 41 41 SER HA H 4.458 0.020 1 395 41 41 SER HB2 H 3.996 0.020 2 396 41 41 SER HB3 H 3.980 0.020 2 397 41 41 SER C C 174.560 0.400 1 398 41 41 SER CA C 58.677 0.400 1 399 41 41 SER CB C 63.822 0.400 1 400 41 41 SER N N 112.756 0.400 1 401 42 42 VAL H H 7.338 0.020 1 402 42 42 VAL HA H 4.282 0.020 1 403 42 42 VAL HB H 2.049 0.020 1 404 42 42 VAL HG1 H 1.127 0.020 2 405 42 42 VAL HG2 H 0.969 0.020 2 406 42 42 VAL C C 174.506 0.400 1 407 42 42 VAL CA C 60.523 0.400 1 408 42 42 VAL CB C 32.539 0.400 1 409 42 42 VAL CG1 C 23.494 0.400 1 410 42 42 VAL CG2 C 21.250 0.400 1 411 42 42 VAL N N 125.910 0.400 1 412 43 43 PRO HA H 4.229 0.020 1 413 43 43 PRO HB2 H 2.275 0.020 2 414 43 43 PRO HB3 H 1.747 0.020 2 415 43 43 PRO HG2 H 2.025 0.020 2 416 43 43 PRO HG3 H 2.025 0.020 2 417 43 43 PRO C C 173.874 0.400 1 418 43 43 PRO CA C 63.786 0.400 1 419 43 43 PRO CB C 31.928 0.400 1 420 44 44 ALA H H 8.030 0.020 1 421 44 44 ALA HA H 4.681 0.020 1 422 44 44 ALA HB H 1.364 0.020 1 423 44 44 ALA C C 176.437 0.400 1 424 44 44 ALA CA C 48.741 0.400 1 425 44 44 ALA CB C 20.168 0.400 1 426 44 44 ALA N N 123.200 0.400 1 427 45 45 PRO HA H 4.660 0.020 1 428 45 45 PRO HB2 H 2.503 0.020 1 429 45 45 PRO HB3 H 2.167 0.020 1 430 45 45 PRO HG2 H 2.020 0.020 1 431 45 45 PRO HG3 H 1.856 0.020 1 432 45 45 PRO C C 174.366 0.400 1 433 45 45 PRO CA C 62.589 0.400 1 434 45 45 PRO CB C 35.154 0.400 1 435 46 46 ALA H H 8.522 0.020 1 436 46 46 ALA HA H 5.541 0.020 1 437 46 46 ALA HB H 1.483 0.020 1 438 46 46 ALA C C 177.574 0.400 1 439 46 46 ALA CA C 50.627 0.400 1 440 46 46 ALA CB C 22.082 0.400 1 441 46 46 ALA N N 121.800 0.400 1 442 47 47 CYS H H 9.032 0.020 1 443 47 47 CYS HA H 5.159 0.020 1 444 47 47 CYS HB2 H 3.233 0.020 2 445 47 47 CYS HB3 H 2.479 0.020 2 446 47 47 CYS C C 173.253 0.400 1 447 47 47 CYS CA C 56.435 0.400 1 448 47 47 CYS CB C 30.086 0.400 1 449 47 47 CYS N N 113.565 0.400 1 450 48 48 ALA H H 7.439 0.020 1 451 48 48 ALA HA H 4.967 0.020 1 452 48 48 ALA HB H 1.453 0.020 1 453 48 48 ALA C C 175.095 0.400 1 454 48 48 ALA CA C 52.469 0.400 1 455 48 48 ALA CB C 22.918 0.400 1 456 48 48 ALA N N 121.594 0.400 1 457 49 49 LEU H H 8.576 0.020 1 458 49 49 LEU HA H 5.231 0.020 1 459 49 49 LEU HB2 H 1.640 0.020 2 460 49 49 LEU HB3 H 1.226 0.020 2 461 49 49 LEU HD1 H 0.921 0.020 2 462 49 49 LEU HD2 H 0.700 0.020 2 463 49 49 LEU HG H 1.609 0.020 1 464 49 49 LEU C C 174.111 0.400 1 465 49 49 LEU CA C 54.410 0.400 1 466 49 49 LEU CB C 45.841 0.400 1 467 49 49 LEU CD2 C 26.771 0.400 1 468 49 49 LEU N N 123.098 0.400 1 469 50 50 LEU H H 9.805 0.020 1 470 50 50 LEU HA H 4.570 0.020 1 471 50 50 LEU HB2 H 3.097 0.020 2 472 50 50 LEU HB3 H 3.097 0.020 2 473 50 50 LEU C C 173.769 0.400 1 474 50 50 LEU CA C 55.887 0.400 1 475 50 50 LEU CB C 43.469 0.400 1 476 50 50 LEU N N 127.340 0.400 1 477 51 51 LEU H H 8.171 0.020 1 478 51 51 LEU HA H 5.101 0.020 1 479 51 51 LEU HD1 H 1.050 0.020 2 480 51 51 LEU HD2 H 0.361 0.020 2 481 51 51 LEU HG H 1.693 0.020 1 482 51 51 LEU C C 173.773 0.400 1 483 51 51 LEU CA C 53.490 0.400 1 484 51 51 LEU CB C 46.938 0.400 1 485 51 51 LEU CD1 C 23.034 0.400 1 486 51 51 LEU CD2 C 25.477 0.400 1 487 51 51 LEU N N 122.895 0.400 1 488 52 52 LEU H H 9.616 0.020 1 489 52 52 LEU HA H 5.849 0.020 1 490 52 52 LEU HB2 H 2.305 0.020 2 491 52 52 LEU HB3 H 2.305 0.020 2 492 52 52 LEU HD1 H 0.731 0.020 2 493 52 52 LEU HD2 H 0.566 0.020 2 494 52 52 LEU HG H 1.437 0.020 1 495 52 52 LEU C C 175.858 0.400 1 496 52 52 LEU CA C 53.954 0.400 1 497 52 52 LEU CB C 44.762 0.400 1 498 52 52 LEU CD1 C 24.840 0.400 1 499 52 52 LEU CD2 C 26.211 0.400 1 500 52 52 LEU CG C 27.620 0.400 1 501 52 52 LEU N N 130.883 0.400 1 502 53 53 PHE H H 9.037 0.020 1 503 53 53 PHE HA H 5.360 0.020 1 504 53 53 PHE HB2 H 2.948 0.020 2 505 53 53 PHE HB3 H 2.948 0.020 2 506 53 53 PHE C C 170.984 0.400 1 507 53 53 PHE CA C 54.113 0.400 1 508 53 53 PHE CB C 40.775 0.400 1 509 53 53 PHE N N 122.931 0.400 1 510 54 54 PRO HA H 4.467 0.020 1 511 54 54 PRO C C 175.603 0.400 1 512 54 54 PRO CA C 62.220 0.400 1 513 54 54 PRO CB C 31.308 0.400 1 514 55 55 LEU H H 8.434 0.020 1 515 55 55 LEU HA H 4.238 0.020 1 516 55 55 LEU HB2 H 1.564 0.020 2 517 55 55 LEU HB3 H 1.433 0.020 2 518 55 55 LEU HD1 H 0.729 0.020 1 519 55 55 LEU HD2 H 0.676 0.020 1 520 55 55 LEU HG H 1.377 0.020 1 521 55 55 LEU C C 176.585 0.400 1 522 55 55 LEU CA C 54.735 0.400 1 523 55 55 LEU CB C 40.947 0.400 1 524 55 55 LEU CD1 C 24.840 0.400 1 525 55 55 LEU CD2 C 24.832 0.400 1 526 55 55 LEU CG C 27.240 0.400 1 527 55 55 LEU N N 124.323 0.400 1 528 56 56 THR H H 7.119 0.020 1 529 56 56 THR HA H 4.717 0.020 1 530 56 56 THR HB H 4.846 0.020 1 531 56 56 THR HG2 H 1.247 0.020 1 532 56 56 THR C C 175.372 0.400 1 533 56 56 THR CA C 59.653 0.400 1 534 56 56 THR CB C 72.434 0.400 1 535 56 56 THR CG2 C 21.331 0.400 1 536 56 56 THR N N 114.735 0.400 1 537 57 57 ALA H H 8.999 0.020 1 538 57 57 ALA HA H 4.222 0.020 1 539 57 57 ALA HB H 1.504 0.020 1 540 57 57 ALA C C 180.791 0.400 1 541 57 57 ALA CA C 55.260 0.400 1 542 57 57 ALA CB C 17.721 0.400 1 543 57 57 ALA N N 123.805 0.400 1 544 58 58 GLN H H 8.667 0.020 1 545 58 58 GLN HA H 4.212 0.020 1 546 58 58 GLN HB2 H 2.433 0.020 2 547 58 58 GLN HB3 H 2.221 0.020 2 548 58 58 GLN HE21 H 7.690 0.020 1 549 58 58 GLN HE22 H 6.851 0.020 1 550 58 58 GLN HG2 H 2.707 0.020 2 551 58 58 GLN HG3 H 2.516 0.020 2 552 58 58 GLN C C 178.571 0.400 1 553 58 58 GLN CA C 59.347 0.400 1 554 58 58 GLN CB C 27.309 0.400 1 555 58 58 GLN CG C 33.968 0.400 1 556 58 58 GLN N N 117.523 0.400 1 557 58 58 GLN NE2 N 109.544 0.400 1 558 59 59 HIS H H 8.016 0.020 1 559 59 59 HIS HA H 4.453 0.020 1 560 59 59 HIS HB2 H 3.536 0.020 2 561 59 59 HIS HB3 H 3.536 0.020 2 562 59 59 HIS C C 177.336 0.400 1 563 59 59 HIS CA C 60.646 0.400 1 564 59 59 HIS CB C 30.935 0.400 1 565 59 59 HIS N N 122.999 0.400 1 566 60 60 GLU H H 8.169 0.020 1 567 60 60 GLU HA H 4.116 0.020 1 568 60 60 GLU HB2 H 2.118 0.020 2 569 60 60 GLU HB3 H 2.118 0.020 2 570 60 60 GLU HG2 H 2.414 0.020 2 571 60 60 GLU HG3 H 2.414 0.020 2 572 60 60 GLU C C 180.184 0.400 1 573 60 60 GLU CA C 58.933 0.400 1 574 60 60 GLU CB C 29.099 0.400 1 575 60 60 GLU N N 117.622 0.400 1 576 61 61 ASN H H 8.195 0.020 1 577 61 61 ASN HA H 4.463 0.020 1 578 61 61 ASN HB2 H 2.918 0.020 2 579 61 61 ASN HB3 H 2.918 0.020 2 580 61 61 ASN HD21 H 6.992 0.020 2 581 61 61 ASN HD22 H 7.684 0.020 2 582 61 61 ASN C C 177.743 0.400 1 583 61 61 ASN CA C 56.088 0.400 1 584 61 61 ASN CB C 38.014 0.400 1 585 61 61 ASN N N 118.943 0.400 1 586 61 61 ASN ND2 N 112.770 0.400 1 587 62 62 PHE H H 8.341 0.020 1 588 62 62 PHE HA H 4.252 0.020 1 589 62 62 PHE HB2 H 3.252 0.020 2 590 62 62 PHE HB3 H 3.252 0.020 2 591 62 62 PHE C C 177.695 0.400 1 592 62 62 PHE CA C 61.141 0.400 1 593 62 62 PHE CB C 38.043 0.400 1 594 62 62 PHE N N 123.926 0.400 1 595 63 63 ARG H H 8.523 0.020 1 596 63 63 ARG HA H 3.556 0.020 1 597 63 63 ARG C C 178.196 0.400 1 598 63 63 ARG CA C 57.108 0.400 1 599 63 63 ARG CB C 31.439 0.400 1 600 63 63 ARG N N 117.720 0.400 1 601 64 64 LYS H H 7.636 0.020 1 602 64 64 LYS HA H 3.804 0.020 1 603 64 64 LYS HB2 H 1.926 0.020 2 604 64 64 LYS HB3 H 1.926 0.020 2 605 64 64 LYS HD2 H 1.703 0.020 2 606 64 64 LYS HD3 H 1.703 0.020 2 607 64 64 LYS HE2 H 2.968 0.020 2 608 64 64 LYS HE3 H 2.968 0.020 2 609 64 64 LYS HG2 H 1.415 0.020 2 610 64 64 LYS HG3 H 1.415 0.020 2 611 64 64 LYS C C 179.511 0.400 1 612 64 64 LYS CA C 60.078 0.400 1 613 64 64 LYS CB C 32.388 0.400 1 614 64 64 LYS CE C 41.979 0.400 1 615 64 64 LYS N N 116.854 0.400 1 616 65 65 LYS H H 7.144 0.020 1 617 65 65 LYS HA H 4.038 0.020 1 618 65 65 LYS HB2 H 1.883 0.020 2 619 65 65 LYS HB3 H 1.800 0.020 2 620 65 65 LYS HD2 H 1.672 0.020 2 621 65 65 LYS HD3 H 1.672 0.020 2 622 65 65 LYS HE2 H 2.961 0.020 2 623 65 65 LYS HE3 H 2.961 0.020 2 624 65 65 LYS HG2 H 1.338 0.020 2 625 65 65 LYS HG3 H 1.338 0.020 2 626 65 65 LYS C C 178.089 0.400 1 627 65 65 LYS CA C 58.624 0.400 1 628 65 65 LYS CB C 32.138 0.400 1 629 65 65 LYS CD C 29.194 0.400 1 630 65 65 LYS CE C 44.897 0.400 1 631 65 65 LYS CG C 24.844 0.400 1 632 65 65 LYS N N 118.913 0.400 1 633 66 66 GLN H H 8.299 0.020 1 634 66 66 GLN HA H 3.774 0.020 1 635 66 66 GLN C C 178.355 0.400 1 636 66 66 GLN CA C 58.923 0.400 1 637 66 66 GLN CB C 29.486 0.400 1 638 66 66 GLN N N 122.283 0.400 1 639 67 67 ILE H H 8.526 0.020 1 640 67 67 ILE HA H 3.541 0.020 1 641 67 67 ILE HB H 1.784 0.020 1 642 67 67 ILE HD1 H 0.639 0.020 1 643 67 67 ILE HG12 H 0.830 0.020 2 644 67 67 ILE HG13 H 0.830 0.020 2 645 67 67 ILE HG2 H 0.898 0.020 1 646 67 67 ILE C C 178.082 0.400 1 647 67 67 ILE CA C 66.151 0.400 1 648 67 67 ILE CB C 38.691 0.400 1 649 67 67 ILE CG1 C 14.146 0.400 1 650 67 67 ILE CG2 C 17.503 0.400 1 651 67 67 ILE N N 117.142 0.400 1 652 68 68 GLU H H 6.959 0.020 1 653 68 68 GLU HA H 4.102 0.020 1 654 68 68 GLU HB2 H 2.117 0.020 2 655 68 68 GLU HB3 H 2.117 0.020 2 656 68 68 GLU HG2 H 2.405 0.020 2 657 68 68 GLU HG3 H 2.405 0.020 2 658 68 68 GLU C C 179.120 0.400 1 659 68 68 GLU CA C 58.733 0.400 1 660 68 68 GLU CB C 29.461 0.400 1 661 68 68 GLU CG C 35.736 0.400 1 662 68 68 GLU N N 116.344 0.400 1 663 69 69 GLU H H 7.880 0.020 1 664 69 69 GLU HA H 4.117 0.020 1 665 69 69 GLU HB2 H 2.131 0.020 2 666 69 69 GLU HB3 H 2.131 0.020 2 667 69 69 GLU C C 178.478 0.400 1 668 69 69 GLU CA C 58.159 0.400 1 669 69 69 GLU CB C 29.645 0.400 1 670 69 69 GLU N N 118.028 0.400 1 671 70 70 LEU H H 7.874 0.020 1 672 70 70 LEU HA H 4.246 0.020 1 673 70 70 LEU HB2 H 1.765 0.020 2 674 70 70 LEU HB3 H 1.448 0.020 2 675 70 70 LEU HD1 H 0.859 0.020 2 676 70 70 LEU HD2 H 0.774 0.020 2 677 70 70 LEU HG H 1.913 0.020 1 678 70 70 LEU C C 177.073 0.400 1 679 70 70 LEU CA C 54.829 0.400 1 680 70 70 LEU CB C 42.104 0.400 1 681 70 70 LEU CD1 C 27.867 0.400 1 682 70 70 LEU CD2 C 22.550 0.400 1 683 70 70 LEU CG C 26.528 0.400 1 684 70 70 LEU N N 118.119 0.400 1 685 71 71 LYS H H 7.223 0.020 1 686 71 71 LYS HA H 3.937 0.020 1 687 71 71 LYS HB2 H 1.913 0.020 2 688 71 71 LYS HB3 H 1.913 0.020 2 689 71 71 LYS HD2 H 1.738 0.020 2 690 71 71 LYS HD3 H 1.738 0.020 2 691 71 71 LYS HE2 H 3.004 0.020 2 692 71 71 LYS HE3 H 3.004 0.020 2 693 71 71 LYS HG2 H 1.495 0.020 2 694 71 71 LYS HG3 H 1.495 0.020 2 695 71 71 LYS C C 177.338 0.400 1 696 71 71 LYS CA C 58.949 0.400 1 697 71 71 LYS CB C 32.166 0.400 1 698 71 71 LYS CD C 29.232 0.400 1 699 71 71 LYS CE C 41.984 0.400 1 700 71 71 LYS CG C 24.688 0.400 1 701 71 71 LYS N N 120.054 0.400 1 702 72 72 GLY H H 8.638 0.020 1 703 72 72 GLY HA2 H 3.898 0.020 2 704 72 72 GLY HA3 H 3.898 0.020 2 705 72 72 GLY C C 174.800 0.400 1 706 72 72 GLY CA C 44.822 0.400 1 707 72 72 GLY N N 110.944 0.400 1 708 73 73 GLN H H 7.613 0.020 1 709 73 73 GLN HA H 4.236 0.020 1 710 73 73 GLN HB2 H 2.036 0.020 2 711 73 73 GLN HB3 H 1.864 0.020 2 712 73 73 GLN HE21 H 7.325 0.020 2 713 73 73 GLN HE22 H 6.760 0.020 2 714 73 73 GLN HG2 H 2.284 0.020 2 715 73 73 GLN HG3 H 2.284 0.020 2 716 73 73 GLN C C 175.196 0.400 1 717 73 73 GLN CA C 55.898 0.400 1 718 73 73 GLN CB C 28.195 0.400 1 719 73 73 GLN CG C 32.610 0.400 1 720 73 73 GLN N N 119.548 0.400 1 721 73 73 GLN NE2 N 111.900 0.400 1 722 74 74 GLU H H 8.642 0.020 1 723 74 74 GLU HA H 4.358 0.020 1 724 74 74 GLU HB2 H 1.824 0.020 2 725 74 74 GLU HB3 H 1.824 0.020 2 726 74 74 GLU HG2 H 2.003 0.020 2 727 74 74 GLU HG3 H 2.003 0.020 2 728 74 74 GLU C C 175.438 0.400 1 729 74 74 GLU CA C 55.954 0.400 1 730 74 74 GLU CB C 30.686 0.400 1 731 74 74 GLU CG C 36.270 0.400 1 732 74 74 GLU N N 124.107 0.400 1 733 75 75 VAL H H 8.347 0.020 1 734 75 75 VAL HA H 4.307 0.020 1 735 75 75 VAL HB H 1.836 0.020 1 736 75 75 VAL HG1 H 0.738 0.020 2 737 75 75 VAL HG2 H 0.738 0.020 2 738 75 75 VAL C C 175.548 0.400 1 739 75 75 VAL CA C 60.903 0.400 1 740 75 75 VAL CB C 34.454 0.400 1 741 75 75 VAL CG1 C 21.310 0.400 1 742 75 75 VAL N N 123.285 0.400 1 743 76 76 SER H H 7.955 0.020 1 744 76 76 SER HA H 4.691 0.020 1 745 76 76 SER HB2 H 4.377 0.020 2 746 76 76 SER HB3 H 3.425 0.020 2 747 76 76 SER CA C 55.742 0.400 1 748 76 76 SER CB C 63.724 0.400 1 749 76 76 SER N N 120.871 0.400 1 750 77 77 PRO HA H 4.533 0.020 1 751 77 77 PRO HB2 H 2.361 0.020 1 752 77 77 PRO HB3 H 1.987 0.020 1 753 77 77 PRO HD2 H 3.948 0.020 2 754 77 77 PRO HD3 H 3.948 0.020 2 755 77 77 PRO HG2 H 2.072 0.020 2 756 77 77 PRO C C 176.544 0.400 1 757 77 77 PRO CA C 63.878 0.400 1 758 77 77 PRO CB C 32.008 0.400 1 759 77 77 PRO CG C 27.470 0.400 1 760 78 78 LYS H H 8.108 0.020 1 761 78 78 LYS HA H 4.099 0.020 1 762 78 78 LYS HB2 H 1.810 0.020 2 763 78 78 LYS HB3 H 1.810 0.020 2 764 78 78 LYS HD2 H 1.663 0.020 2 765 78 78 LYS HD3 H 1.663 0.020 2 766 78 78 LYS HE2 H 2.959 0.020 2 767 78 78 LYS HE3 H 2.959 0.020 2 768 78 78 LYS HG2 H 1.387 0.020 2 769 78 78 LYS HG3 H 1.387 0.020 2 770 78 78 LYS C C 177.785 0.400 1 771 78 78 LYS CA C 56.891 0.400 1 772 78 78 LYS CB C 33.042 0.400 1 773 78 78 LYS CD C 29.190 0.400 1 774 78 78 LYS CE C 41.990 0.400 1 775 78 78 LYS CG C 25.190 0.400 1 776 78 78 LYS N N 116.379 0.400 1 777 79 79 VAL H H 7.089 0.020 1 778 79 79 VAL HA H 3.529 0.020 1 779 79 79 VAL HB H 1.690 0.020 1 780 79 79 VAL HG1 H 0.438 0.020 2 781 79 79 VAL HG2 H -0.017 0.020 2 782 79 79 VAL C C 175.064 0.400 1 783 79 79 VAL CA C 63.526 0.400 1 784 79 79 VAL CB C 31.567 0.400 1 785 79 79 VAL CG1 C 22.374 0.400 1 786 79 79 VAL CG2 C 21.085 0.400 1 787 79 79 VAL N N 118.008 0.400 1 788 80 80 TYR H H 9.573 0.020 1 789 80 80 TYR HA H 4.141 0.020 1 790 80 80 TYR HB2 H 2.822 0.020 2 791 80 80 TYR HB3 H 2.822 0.020 2 792 80 80 TYR C C 173.587 0.400 1 793 80 80 TYR CA C 58.820 0.400 1 794 80 80 TYR CB C 38.144 0.400 1 795 80 80 TYR N N 133.566 0.400 1 796 81 81 PHE H H 6.852 0.020 1 797 81 81 PHE HA H 5.185 0.020 1 798 81 81 PHE HB2 H 3.389 0.020 2 799 81 81 PHE HB3 H 2.730 0.020 2 800 81 81 PHE C C 171.786 0.400 1 801 81 81 PHE CA C 55.497 0.400 1 802 81 81 PHE CB C 43.356 0.400 1 803 81 81 PHE N N 128.910 0.400 1 804 82 82 MET H H 11.978 0.020 1 805 82 82 MET HA H 4.439 0.020 1 806 82 82 MET HB2 H 1.818 0.020 1 807 82 82 MET HB3 H 1.551 0.020 1 808 82 82 MET HG2 H 2.340 0.020 2 809 82 82 MET HG3 H 2.340 0.020 2 810 82 82 MET C C 170.734 0.400 1 811 82 82 MET CA C 53.573 0.400 1 812 82 82 MET CB C 38.914 0.400 1 813 82 82 MET N N 133.516 0.400 1 814 83 83 LYS H H 5.749 0.020 1 815 83 83 LYS HA H 4.107 0.020 1 816 83 83 LYS HB2 H 1.284 0.020 2 817 83 83 LYS HB3 H 1.284 0.020 2 818 83 83 LYS HE2 H 3.043 0.020 2 819 83 83 LYS HE3 H 2.949 0.020 2 820 83 83 LYS C C 175.363 0.400 1 821 83 83 LYS CA C 54.344 0.400 1 822 83 83 LYS N N 114.594 0.400 1 823 84 84 GLN C C 175.769 0.400 1 824 84 84 GLN CA C 54.955 0.400 1 825 84 84 GLN CB C 29.002 0.400 1 826 85 85 THR H H 8.600 0.020 1 827 85 85 THR HA H 4.587 0.020 1 828 85 85 THR HB H 4.366 0.020 1 829 85 85 THR HG2 H 0.947 0.020 1 830 85 85 THR C C 174.433 0.400 1 831 85 85 THR CA C 61.527 0.400 1 832 85 85 THR CB C 69.934 0.400 1 833 85 85 THR N N 118.096 0.400 1 834 86 86 ILE H H 7.982 0.020 1 835 86 86 ILE HA H 4.467 0.020 1 836 86 86 ILE HB H 1.768 0.020 1 837 86 86 ILE HD1 H 0.563 0.020 1 838 86 86 ILE HG12 H 1.593 0.020 2 839 86 86 ILE HG13 H 1.131 0.020 2 840 86 86 ILE HG2 H 0.903 0.020 1 841 86 86 ILE C C 177.494 0.400 1 842 86 86 ILE CA C 59.677 0.400 1 843 86 86 ILE CB C 40.131 0.400 1 844 86 86 ILE CD1 C 13.351 0.400 1 845 86 86 ILE CG2 C 17.703 0.400 1 846 86 86 ILE N N 121.144 0.400 1 847 87 87 GLY H H 9.110 0.020 1 848 87 87 GLY HA2 H 4.069 0.020 2 849 87 87 GLY HA3 H 3.913 0.020 2 850 87 87 GLY C C 173.456 0.400 1 851 87 87 GLY CA C 46.341 0.400 1 852 87 87 GLY N N 117.073 0.400 1 853 88 88 ASN H H 8.942 0.020 1 854 88 88 ASN HB2 H 2.955 0.020 2 855 88 88 ASN HB3 H 2.955 0.020 2 856 88 88 ASN C C 174.660 0.400 1 857 88 88 ASN CA C 54.463 0.400 1 858 88 88 ASN CB C 36.782 0.400 1 859 88 88 ASN N N 114.795 0.400 1 860 89 89 SER H H 7.540 0.020 1 861 89 89 SER HA H 4.632 0.020 1 862 89 89 SER HB2 H 4.026 0.020 2 863 89 89 SER HB3 H 4.026 0.020 2 864 89 89 SER C C 176.447 0.400 1 865 89 89 SER CA C 58.936 0.400 1 866 89 89 SER CB C 65.564 0.400 1 867 89 89 SER N N 107.069 0.400 1 868 90 90 CYS H H 8.780 0.020 1 869 90 90 CYS HA H 4.417 0.020 1 870 90 90 CYS HB2 H 2.906 0.020 2 871 90 90 CYS HB3 H 2.906 0.020 2 872 90 90 CYS C C 177.433 0.400 1 873 90 90 CYS CA C 61.281 0.400 1 874 90 90 CYS CB C 28.049 0.400 1 875 90 90 CYS N N 121.698 0.400 1 876 91 91 GLY H H 9.365 0.020 1 877 91 91 GLY HA2 H 3.893 0.020 2 878 91 91 GLY HA3 H 3.893 0.020 2 879 91 91 GLY C C 173.765 0.400 1 880 91 91 GLY CA C 46.758 0.400 1 881 91 91 GLY N N 116.348 0.400 1 882 92 92 THR H H 6.936 0.020 1 883 92 92 THR HA H 3.852 0.020 1 884 92 92 THR HB H 4.028 0.020 1 885 92 92 THR HG2 H 1.149 0.020 1 886 92 92 THR C C 179.809 0.400 1 887 92 92 THR CA C 66.723 0.400 1 888 92 92 THR CB C 67.813 0.400 1 889 92 92 THR CG2 C 23.360 0.400 1 890 92 92 THR N N 121.955 0.400 1 891 93 93 ILE H H 8.806 0.020 1 892 93 93 ILE HA H 3.363 0.020 1 893 93 93 ILE HB H 1.673 0.020 1 894 93 93 ILE HD1 H 0.296 0.020 1 895 93 93 ILE HG12 H 1.122 0.020 2 896 93 93 ILE HG13 H 0.975 0.020 2 897 93 93 ILE HG2 H 0.467 0.020 1 898 93 93 ILE C C 177.243 0.400 1 899 93 93 ILE CA C 63.996 0.400 1 900 93 93 ILE CB C 36.381 0.400 1 901 93 93 ILE CD1 C 10.802 0.400 1 902 93 93 ILE CG1 C 28.732 0.400 1 903 93 93 ILE CG2 C 17.403 0.400 1 904 93 93 ILE N N 121.326 0.400 1 905 94 94 GLY H H 8.000 0.020 1 906 94 94 GLY HA2 H 3.965 0.020 2 907 94 94 GLY HA3 H 3.457 0.020 2 908 94 94 GLY C C 174.629 0.400 1 909 94 94 GLY CA C 47.256 0.400 1 910 94 94 GLY N N 107.756 0.400 1 911 95 95 LEU H H 7.934 0.020 1 912 95 95 LEU HA H 3.996 0.020 1 913 95 95 LEU HD1 H 1.005 0.020 2 914 95 95 LEU HD2 H 0.815 0.020 2 915 95 95 LEU HG H 1.847 0.020 1 916 95 95 LEU C C 178.206 0.400 1 917 95 95 LEU CA C 60.449 0.400 1 918 95 95 LEU CB C 42.244 0.400 1 919 95 95 LEU CD1 C 29.937 0.400 1 920 95 95 LEU CD2 C 25.410 0.400 1 921 95 95 LEU N N 122.138 0.400 1 922 96 96 ILE H H 8.754 0.020 1 923 96 96 ILE HA H 3.276 0.020 1 924 96 96 ILE HB H 1.734 0.020 1 925 96 96 ILE HD1 H 0.376 0.020 1 926 96 96 ILE HG12 H 2.001 0.020 2 927 96 96 ILE HG13 H 0.659 0.020 2 928 96 96 ILE HG2 H 0.821 0.020 1 929 96 96 ILE C C 177.774 0.400 1 930 96 96 ILE CA C 67.497 0.400 1 931 96 96 ILE CB C 37.363 0.400 1 932 96 96 ILE CD1 C 13.869 0.400 1 933 96 96 ILE CG2 C 17.019 0.400 1 934 96 96 ILE N N 121.239 0.400 1 935 97 97 HIS H H 9.153 0.020 1 936 97 97 HIS HA H 4.255 0.020 1 937 97 97 HIS HB2 H 3.000 0.020 2 938 97 97 HIS HB3 H 3.000 0.020 2 939 97 97 HIS C C 178.275 0.400 1 940 97 97 HIS CA C 59.273 0.400 1 941 97 97 HIS CB C 30.035 0.400 1 942 97 97 HIS N N 118.189 0.400 1 943 98 98 ALA H H 8.632 0.020 1 944 98 98 ALA HA H 4.079 0.020 1 945 98 98 ALA HB H 1.482 0.020 1 946 98 98 ALA C C 178.810 0.400 1 947 98 98 ALA CA C 54.921 0.400 1 948 98 98 ALA CB C 17.674 0.400 1 949 98 98 ALA N N 123.339 0.400 1 950 99 99 VAL H H 8.404 0.020 1 951 99 99 VAL HA H 3.385 0.020 1 952 99 99 VAL HB H 1.940 0.020 1 953 99 99 VAL HG1 H 0.844 0.020 2 954 99 99 VAL HG2 H 0.844 0.020 2 955 99 99 VAL C C 178.555 0.400 1 956 99 99 VAL CA C 65.738 0.400 1 957 99 99 VAL CB C 31.696 0.400 1 958 99 99 VAL CG2 C 22.142 0.400 1 959 99 99 VAL N N 117.535 0.400 1 960 100 100 ALA H H 9.293 0.020 1 961 100 100 ALA HA H 3.702 0.020 1 962 100 100 ALA HB H 0.804 0.020 1 963 100 100 ALA C C 179.781 0.400 1 964 100 100 ALA CA C 54.354 0.400 1 965 100 100 ALA CB C 20.730 0.400 1 966 100 100 ALA N N 118.661 0.400 1 967 101 101 ASN H H 7.174 0.020 1 968 101 101 ASN HA H 4.955 0.020 1 969 101 101 ASN HB2 H 2.911 0.020 1 970 101 101 ASN HB3 H 2.645 0.020 1 971 101 101 ASN C C 173.274 0.400 1 972 101 101 ASN CA C 54.398 0.400 1 973 101 101 ASN CB C 39.401 0.400 1 974 101 101 ASN N N 109.444 0.400 1 975 102 102 ASN H H 7.715 0.020 1 976 102 102 ASN HA H 5.203 0.020 1 977 102 102 ASN HB2 H 2.589 0.020 1 978 102 102 ASN HB3 H 2.335 0.020 1 979 102 102 ASN HD22 H 6.799 0.020 1 980 102 102 ASN C C 176.039 0.400 1 981 102 102 ASN CA C 54.022 0.400 1 982 102 102 ASN CB C 40.593 0.400 1 983 102 102 ASN N N 119.093 0.400 1 984 102 102 ASN ND2 N 117.615 0.400 1 985 103 103 GLN H H 8.374 0.020 1 986 103 103 GLN HA H 3.943 0.020 1 987 103 103 GLN HB2 H 2.408 0.020 2 988 103 103 GLN HB3 H 2.087 0.020 2 989 103 103 GLN HE21 H 7.824 0.020 1 990 103 103 GLN HE22 H 7.003 0.020 1 991 103 103 GLN HG2 H 2.580 0.020 2 992 103 103 GLN HG3 H 2.580 0.020 2 993 103 103 GLN C C 175.554 0.400 1 994 103 103 GLN CA C 59.875 0.400 1 995 103 103 GLN CB C 29.618 0.400 1 996 103 103 GLN CG C 36.460 0.400 1 997 103 103 GLN N N 120.544 0.400 1 998 103 103 GLN NE2 N 111.624 0.400 1 999 104 104 ASP H H 9.142 0.020 1 1000 104 104 ASP HA H 4.460 0.020 1 1001 104 104 ASP HB2 H 2.738 0.020 2 1002 104 104 ASP HB3 H 2.738 0.020 2 1003 104 104 ASP C C 176.375 0.400 1 1004 104 104 ASP CA C 54.779 0.400 1 1005 104 104 ASP CB C 39.204 0.400 1 1006 104 104 ASP N N 115.304 0.400 1 1007 105 105 LYS H H 7.447 0.020 1 1008 105 105 LYS HA H 4.427 0.020 1 1009 105 105 LYS HB2 H 1.518 0.020 1 1010 105 105 LYS HB3 H 1.195 0.020 1 1011 105 105 LYS HD2 H 1.667 0.020 2 1012 105 105 LYS HD3 H 1.667 0.020 2 1013 105 105 LYS HE2 H 3.147 0.020 2 1014 105 105 LYS HE3 H 3.030 0.020 2 1015 105 105 LYS HG2 H 1.267 0.020 2 1016 105 105 LYS HG3 H 1.267 0.020 2 1017 105 105 LYS C C 175.584 0.400 1 1018 105 105 LYS CA C 56.761 0.400 1 1019 105 105 LYS CB C 34.517 0.400 1 1020 105 105 LYS CD C 29.463 0.400 1 1021 105 105 LYS CE C 41.940 0.400 1 1022 105 105 LYS CG C 24.030 0.400 1 1023 105 105 LYS N N 117.705 0.400 1 1024 106 106 LEU H H 7.061 0.020 1 1025 106 106 LEU HA H 4.032 0.020 1 1026 106 106 LEU HB2 H 1.041 0.020 2 1027 106 106 LEU HB3 H 1.041 0.020 2 1028 106 106 LEU HD1 H 0.143 0.020 2 1029 106 106 LEU HD2 H 0.142 0.020 2 1030 106 106 LEU HG H 1.267 0.020 1 1031 106 106 LEU C C 175.196 0.400 1 1032 106 106 LEU CA C 54.913 0.400 1 1033 106 106 LEU CB C 42.888 0.400 1 1034 106 106 LEU CD1 C 26.021 0.400 1 1035 106 106 LEU CD2 C 25.027 0.400 1 1036 106 106 LEU CG C 28.160 0.400 1 1037 106 106 LEU N N 119.779 0.400 1 1038 107 107 GLY H H 7.447 0.020 1 1039 107 107 GLY HA2 H 4.365 0.020 1 1040 107 107 GLY HA3 H 3.641 0.020 1 1041 107 107 GLY C C 172.224 0.400 1 1042 107 107 GLY CA C 43.475 0.400 1 1043 107 107 GLY N N 106.186 0.400 1 1044 108 108 PHE H H 8.545 0.020 1 1045 108 108 PHE HA H 5.289 0.020 1 1046 108 108 PHE HB2 H 2.796 0.020 2 1047 108 108 PHE HB3 H 2.796 0.020 2 1048 108 108 PHE C C 176.820 0.400 1 1049 108 108 PHE CA C 56.907 0.400 1 1050 108 108 PHE CB C 43.196 0.400 1 1051 108 108 PHE N N 115.405 0.400 1 1052 109 109 GLU H H 9.155 0.020 1 1053 109 109 GLU HA H 4.523 0.020 1 1054 109 109 GLU HB2 H 2.125 0.020 2 1055 109 109 GLU HB3 H 1.789 0.020 2 1056 109 109 GLU HG2 H 2.389 0.020 2 1057 109 109 GLU HG3 H 2.389 0.020 2 1058 109 109 GLU C C 177.777 0.400 1 1059 109 109 GLU CA C 54.862 0.400 1 1060 109 109 GLU CB C 30.484 0.400 1 1061 109 109 GLU CG C 35.250 0.400 1 1062 109 109 GLU N N 122.061 0.400 1 1063 110 110 ASP H H 9.078 0.020 1 1064 110 110 ASP HA H 4.399 0.020 1 1065 110 110 ASP HB2 H 2.625 0.020 2 1066 110 110 ASP HB3 H 2.625 0.020 2 1067 110 110 ASP C C 177.933 0.400 1 1068 110 110 ASP CA C 56.252 0.400 1 1069 110 110 ASP CB C 40.344 0.400 1 1070 110 110 ASP N N 123.995 0.400 1 1071 111 111 GLY H H 8.893 0.020 1 1072 111 111 GLY HA2 H 3.811 0.020 2 1073 111 111 GLY HA3 H 3.811 0.020 2 1074 111 111 GLY C C 174.703 0.400 1 1075 111 111 GLY CA C 45.186 0.400 1 1076 111 111 GLY N N 112.406 0.400 1 1077 112 112 SER H H 7.461 0.020 1 1078 112 112 SER HA H 4.464 0.020 1 1079 112 112 SER HB2 H 3.867 0.020 2 1080 112 112 SER HB3 H 3.867 0.020 2 1081 112 112 SER C C 177.853 0.400 1 1082 112 112 SER CA C 57.948 0.400 1 1083 112 112 SER CB C 64.448 0.400 1 1084 112 112 SER N N 112.098 0.400 1 1085 113 113 VAL H H 8.975 0.020 1 1086 113 113 VAL HA H 4.058 0.020 1 1087 113 113 VAL HB H 2.071 0.020 1 1088 113 113 VAL HG1 H 1.066 0.020 2 1089 113 113 VAL HG2 H 1.003 0.020 2 1090 113 113 VAL C C 179.053 0.400 1 1091 113 113 VAL CA C 64.644 0.400 1 1092 113 113 VAL CB C 31.994 0.400 1 1093 113 113 VAL CG1 C 21.059 0.400 1 1094 113 113 VAL CG2 C 21.870 0.400 1 1095 113 113 VAL N N 128.861 0.400 1 1096 114 114 LEU H H 7.885 0.020 1 1097 114 114 LEU HA H 4.341 0.020 1 1098 114 114 LEU HB2 H 1.602 0.020 2 1099 114 114 LEU HB3 H 1.602 0.020 2 1100 114 114 LEU HD1 H 1.059 0.020 1 1101 114 114 LEU HD2 H 0.946 0.020 1 1102 114 114 LEU HG H 1.677 0.020 1 1103 114 114 LEU C C 176.901 0.400 1 1104 114 114 LEU CA C 57.005 0.400 1 1105 114 114 LEU CB C 42.444 0.400 1 1106 114 114 LEU CD2 C 26.310 0.400 1 1107 114 114 LEU CG C 27.454 0.400 1 1108 114 114 LEU N N 121.368 0.400 1 1109 115 115 LYS H H 7.914 0.020 1 1110 115 115 LYS HA H 3.104 0.020 1 1111 115 115 LYS HB2 H 1.612 0.020 2 1112 115 115 LYS HB3 H 1.612 0.020 2 1113 115 115 LYS HD2 H 1.299 0.020 2 1114 115 115 LYS HD3 H 0.969 0.020 2 1115 115 115 LYS HE2 H 2.771 0.020 2 1116 115 115 LYS HE3 H 2.771 0.020 2 1117 115 115 LYS HG2 H 1.129 0.020 2 1118 115 115 LYS HG3 H 0.903 0.020 2 1119 115 115 LYS C C 178.076 0.400 1 1120 115 115 LYS CA C 59.066 0.400 1 1121 115 115 LYS CB C 31.673 0.400 1 1122 115 115 LYS CD C 28.103 0.400 1 1123 115 115 LYS CE C 42.048 0.400 1 1124 115 115 LYS CG C 23.973 0.400 1 1125 115 115 LYS N N 121.425 0.400 1 1126 116 116 GLN H H 7.107 0.020 1 1127 116 116 GLN HA H 3.999 0.020 1 1128 116 116 GLN HB2 H 2.142 0.020 2 1129 116 116 GLN HB3 H 2.142 0.020 2 1130 116 116 GLN HE21 H 6.876 0.020 2 1131 116 116 GLN HE22 H 7.552 0.020 2 1132 116 116 GLN HG2 H 2.463 0.020 2 1133 116 116 GLN C C 177.900 0.400 1 1134 116 116 GLN CA C 58.966 0.400 1 1135 116 116 GLN CB C 27.879 0.400 1 1136 116 116 GLN CG C 33.409 0.400 1 1137 116 116 GLN N N 116.409 0.400 1 1138 116 116 GLN NE2 N 112.306 0.400 1 1139 117 117 PHE H H 7.731 0.020 1 1140 117 117 PHE HA H 4.378 0.020 1 1141 117 117 PHE HB2 H 3.290 0.020 1 1142 117 117 PHE HB3 H 3.154 0.020 1 1143 117 117 PHE C C 179.263 0.400 1 1144 117 117 PHE CA C 61.384 0.400 1 1145 117 117 PHE CB C 39.956 0.400 1 1146 117 117 PHE N N 120.180 0.400 1 1147 118 118 LEU H H 8.820 0.020 1 1148 118 118 LEU HA H 3.668 0.020 1 1149 118 118 LEU HB2 H 1.740 0.020 2 1150 118 118 LEU HB3 H 1.222 0.020 2 1151 118 118 LEU HD1 H 0.609 0.020 2 1152 118 118 LEU HD2 H 0.379 0.020 2 1153 118 118 LEU HG H 1.855 0.020 1 1154 118 118 LEU C C 178.530 0.400 1 1155 118 118 LEU CA C 57.798 0.400 1 1156 118 118 LEU CB C 39.993 0.400 1 1157 118 118 LEU CD1 C 25.767 0.400 1 1158 118 118 LEU CD2 C 22.419 0.400 1 1159 118 118 LEU CG C 26.261 0.400 1 1160 118 118 LEU N N 122.128 0.400 1 1161 119 119 SER H H 8.031 0.020 1 1162 119 119 SER HA H 4.271 0.020 1 1163 119 119 SER HB2 H 3.946 0.020 2 1164 119 119 SER HB3 H 3.946 0.020 2 1165 119 119 SER C C 177.494 0.400 1 1166 119 119 SER CA C 61.375 0.400 1 1167 119 119 SER CB C 62.715 0.400 1 1168 119 119 SER N N 115.004 0.400 1 1169 120 120 GLU H H 8.113 0.020 1 1170 120 120 GLU HA H 4.079 0.020 1 1171 120 120 GLU HB2 H 2.086 0.020 2 1172 120 120 GLU HB3 H 2.086 0.020 2 1173 120 120 GLU HG2 H 2.208 0.020 2 1174 120 120 GLU HG3 H 2.208 0.020 2 1175 120 120 GLU C C 179.083 0.400 1 1176 120 120 GLU CA C 58.932 0.400 1 1177 120 120 GLU CB C 29.850 0.400 1 1178 120 120 GLU CG C 36.530 0.400 1 1179 120 120 GLU N N 120.721 0.400 1 1180 121 121 THR H H 7.434 0.020 1 1181 121 121 THR HA H 4.566 0.020 1 1182 121 121 THR HB H 4.364 0.020 1 1183 121 121 THR HG2 H 0.849 0.020 1 1184 121 121 THR C C 176.373 0.400 1 1185 121 121 THR CA C 60.874 0.400 1 1186 121 121 THR CB C 70.499 0.400 1 1187 121 121 THR CG2 C 20.340 0.400 1 1188 121 121 THR N N 103.711 0.400 1 1189 122 122 GLU H H 7.340 0.020 1 1190 122 122 GLU HA H 3.990 0.020 1 1191 122 122 GLU HB2 H 2.460 0.020 1 1192 122 122 GLU HB3 H 2.097 0.020 1 1193 122 122 GLU HG2 H 2.233 0.020 2 1194 122 122 GLU HG3 H 2.233 0.020 2 1195 122 122 GLU C C 177.178 0.400 1 1196 122 122 GLU CA C 60.874 0.400 1 1197 122 122 GLU CB C 30.380 0.400 1 1198 122 122 GLU CG C 35.603 0.400 1 1199 122 122 GLU N N 126.212 0.400 1 1200 123 123 LYS H H 8.846 0.020 1 1201 123 123 LYS HA H 4.615 0.020 1 1202 123 123 LYS HB2 H 2.066 0.020 2 1203 123 123 LYS HB3 H 1.633 0.020 2 1204 123 123 LYS HD2 H 1.675 0.020 2 1205 123 123 LYS HD3 H 1.675 0.020 2 1206 123 123 LYS HE2 H 2.964 0.020 2 1207 123 123 LYS HE3 H 2.964 0.020 2 1208 123 123 LYS HG2 H 1.366 0.020 2 1209 123 123 LYS HG3 H 1.366 0.020 2 1210 123 123 LYS C C 175.692 0.400 1 1211 123 123 LYS CA C 54.879 0.400 1 1212 123 123 LYS CB C 31.685 0.400 1 1213 123 123 LYS CD C 28.953 0.400 1 1214 123 123 LYS CE C 42.010 0.400 1 1215 123 123 LYS CG C 25.106 0.400 1 1216 123 123 LYS N N 117.329 0.400 1 1217 124 124 MET H H 6.803 0.020 1 1218 124 124 MET HA H 4.582 0.020 1 1219 124 124 MET HB2 H 2.018 0.020 2 1220 124 124 MET HB3 H 1.738 0.020 2 1221 124 124 MET HG2 H 2.718 0.020 2 1222 124 124 MET HG3 H 2.718 0.020 2 1223 124 124 MET C C 175.069 0.400 1 1224 124 124 MET CA C 55.587 0.400 1 1225 124 124 MET CB C 36.395 0.400 1 1226 124 124 MET CG C 33.708 0.400 1 1227 124 124 MET N N 118.997 0.400 1 1228 125 125 SER H H 9.012 0.020 1 1229 125 125 SER HB2 H 4.148 0.020 2 1230 125 125 SER HB3 H 4.148 0.020 2 1231 125 125 SER C C 173.474 0.400 1 1232 125 125 SER CA C 56.090 0.400 1 1233 125 125 SER CB C 62.930 0.400 1 1234 125 125 SER N N 116.372 0.400 1 1235 126 126 PRO HA H 4.538 0.020 1 1236 126 126 PRO HB2 H 1.948 0.020 2 1237 126 126 PRO HB3 H 1.948 0.020 2 1238 126 126 PRO C C 179.508 0.400 1 1239 126 126 PRO CA C 66.610 0.400 1 1240 126 126 PRO CB C 32.805 0.400 1 1241 127 127 GLU H H 8.932 0.020 1 1242 127 127 GLU HA H 3.924 0.020 1 1243 127 127 GLU HB2 H 1.954 0.020 2 1244 127 127 GLU HB3 H 1.954 0.020 2 1245 127 127 GLU HG2 H 2.464 0.020 2 1246 127 127 GLU HG3 H 2.464 0.020 2 1247 127 127 GLU C C 178.922 0.400 1 1248 127 127 GLU CA C 60.057 0.400 1 1249 127 127 GLU CB C 28.921 0.400 1 1250 127 127 GLU CG C 37.346 0.400 1 1251 127 127 GLU N N 116.959 0.400 1 1252 128 128 ASP H H 8.072 0.020 1 1253 128 128 ASP HA H 4.639 0.020 1 1254 128 128 ASP HB2 H 2.856 0.020 2 1255 128 128 ASP HB3 H 2.856 0.020 2 1256 128 128 ASP C C 179.871 0.400 1 1257 128 128 ASP CA C 57.447 0.400 1 1258 128 128 ASP CB C 39.011 0.400 1 1259 128 128 ASP N N 124.006 0.400 1 1260 129 129 ARG H H 8.954 0.020 1 1261 129 129 ARG HA H 3.839 0.020 1 1262 129 129 ARG HB2 H 1.915 0.020 2 1263 129 129 ARG HB3 H 1.915 0.020 2 1264 129 129 ARG HD2 H 3.037 0.020 2 1265 129 129 ARG HD3 H 3.037 0.020 2 1266 129 129 ARG HG2 H 1.724 0.020 2 1267 129 129 ARG HG3 H 1.724 0.020 2 1268 129 129 ARG C C 178.213 0.400 1 1269 129 129 ARG CA C 60.802 0.400 1 1270 129 129 ARG CB C 30.762 0.400 1 1271 129 129 ARG N N 121.983 0.400 1 1272 130 130 ALA H H 7.348 0.020 1 1273 130 130 ALA HA H 4.298 0.020 1 1274 130 130 ALA HB H 1.689 0.020 1 1275 130 130 ALA C C 179.560 0.400 1 1276 130 130 ALA CA C 55.208 0.400 1 1277 130 130 ALA CB C 18.993 0.400 1 1278 130 130 ALA N N 120.741 0.400 1 1279 131 131 LYS H H 7.634 0.020 1 1280 131 131 LYS HA H 3.920 0.020 1 1281 131 131 LYS HB2 H 1.984 0.020 2 1282 131 131 LYS HB3 H 1.984 0.020 2 1283 131 131 LYS HE2 H 2.962 0.020 2 1284 131 131 LYS HE3 H 2.962 0.020 2 1285 131 131 LYS C C 179.510 0.400 1 1286 131 131 LYS CA C 59.453 0.400 1 1287 131 131 LYS CB C 31.887 0.400 1 1288 131 131 LYS N N 118.020 0.400 1 1289 132 132 CYS H H 8.135 0.020 1 1290 132 132 CYS HA H 4.170 0.020 1 1291 132 132 CYS HB2 H 3.089 0.020 1 1292 132 132 CYS HB3 H 2.964 0.020 1 1293 132 132 CYS C C 178.198 0.400 1 1294 132 132 CYS CA C 63.659 0.400 1 1295 132 132 CYS CB C 26.465 0.400 1 1296 132 132 CYS N N 117.909 0.400 1 1297 133 133 PHE H H 8.742 0.020 1 1298 133 133 PHE HA H 4.066 0.020 1 1299 133 133 PHE HB2 H 3.507 0.020 1 1300 133 133 PHE HB3 H 3.265 0.020 1 1301 133 133 PHE C C 177.577 0.400 1 1302 133 133 PHE CA C 61.478 0.400 1 1303 133 133 PHE CB C 39.204 0.400 1 1304 133 133 PHE N N 123.371 0.400 1 1305 134 134 GLU H H 8.378 0.020 1 1306 134 134 GLU HA H 3.525 0.020 1 1307 134 134 GLU HB2 H 2.221 0.020 2 1308 134 134 GLU HB3 H 2.221 0.020 2 1309 134 134 GLU HG2 H 2.643 0.020 2 1310 134 134 GLU HG3 H 2.643 0.020 2 1311 134 134 GLU C C 177.530 0.400 1 1312 134 134 GLU CA C 59.080 0.400 1 1313 134 134 GLU CB C 29.541 0.400 1 1314 134 134 GLU N N 117.317 0.400 1 1315 135 135 LYS H H 7.074 0.020 1 1316 135 135 LYS HA H 4.399 0.020 1 1317 135 135 LYS HB2 H 2.055 0.020 2 1318 135 135 LYS HB3 H 1.870 0.020 2 1319 135 135 LYS HD2 H 1.686 0.020 2 1320 135 135 LYS HD3 H 1.686 0.020 2 1321 135 135 LYS HE2 H 2.982 0.020 2 1322 135 135 LYS HE3 H 2.982 0.020 2 1323 135 135 LYS HG2 H 1.574 0.020 2 1324 135 135 LYS HG3 H 1.574 0.020 2 1325 135 135 LYS C C 175.514 0.400 1 1326 135 135 LYS CA C 55.355 0.400 1 1327 135 135 LYS CB C 33.145 0.400 1 1328 135 135 LYS CD C 29.025 0.400 1 1329 135 135 LYS CE C 42.076 0.400 1 1330 135 135 LYS CG C 24.886 0.400 1 1331 135 135 LYS N N 114.675 0.400 1 1332 136 136 ASN H H 7.474 0.020 1 1333 136 136 ASN HA H 4.655 0.020 1 1334 136 136 ASN HB2 H 2.901 0.020 2 1335 136 136 ASN HB3 H 2.726 0.020 2 1336 136 136 ASN HD21 H 7.296 0.020 2 1337 136 136 ASN HD22 H 7.824 0.020 2 1338 136 136 ASN C C 173.323 0.400 1 1339 136 136 ASN CA C 53.902 0.400 1 1340 136 136 ASN CB C 37.884 0.400 1 1341 136 136 ASN N N 121.386 0.400 1 1342 136 136 ASN ND2 N 113.265 0.400 1 1343 137 137 GLU H H 8.210 0.020 1 1344 137 137 GLU HA H 3.811 0.020 1 1345 137 137 GLU HB2 H 1.980 0.020 2 1346 137 137 GLU HB3 H 1.980 0.020 2 1347 137 137 GLU HG2 H 2.340 0.020 2 1348 137 137 GLU HG3 H 2.201 0.020 2 1349 137 137 GLU C C 178.253 0.400 1 1350 137 137 GLU CA C 58.991 0.400 1 1351 137 137 GLU CB C 29.620 0.400 1 1352 137 137 GLU CG C 36.530 0.400 1 1353 137 137 GLU N N 126.767 0.400 1 1354 138 138 ALA H H 8.241 0.020 1 1355 138 138 ALA HA H 4.239 0.020 1 1356 138 138 ALA HB H 1.549 0.020 1 1357 138 138 ALA C C 181.457 0.400 1 1358 138 138 ALA CA C 55.243 0.400 1 1359 138 138 ALA CB C 18.525 0.400 1 1360 138 138 ALA N N 122.580 0.400 1 1361 139 139 ILE H H 8.882 0.020 1 1362 139 139 ILE HA H 3.534 0.020 1 1363 139 139 ILE HB H 1.379 0.020 1 1364 139 139 ILE HD1 H 0.231 0.020 1 1365 139 139 ILE HG12 H 1.555 0.020 2 1366 139 139 ILE HG13 H 0.559 0.020 2 1367 139 139 ILE HG2 H 0.678 0.020 1 1368 139 139 ILE C C 177.508 0.400 1 1369 139 139 ILE CA C 65.654 0.400 1 1370 139 139 ILE CB C 37.440 0.400 1 1371 139 139 ILE CD1 C 12.895 0.400 1 1372 139 139 ILE CG1 C 29.860 0.400 1 1373 139 139 ILE CG2 C 17.506 0.400 1 1374 139 139 ILE N N 120.070 0.400 1 1375 140 140 GLN H H 7.088 0.020 1 1376 140 140 GLN HA H 3.615 0.020 1 1377 140 140 GLN HB2 H 2.002 0.020 2 1378 140 140 GLN HB3 H 2.002 0.020 2 1379 140 140 GLN HE21 H 6.659 0.020 2 1380 140 140 GLN HE22 H 6.046 0.020 2 1381 140 140 GLN HG2 H 2.289 0.020 2 1382 140 140 GLN HG3 H 2.289 0.020 2 1383 140 140 GLN C C 176.941 0.400 1 1384 140 140 GLN CA C 59.513 0.400 1 1385 140 140 GLN CB C 27.429 0.400 1 1386 140 140 GLN CG C 33.372 0.400 1 1387 140 140 GLN N N 118.036 0.400 1 1388 140 140 GLN NE2 N 110.167 0.400 1 1389 141 141 ALA H H 8.459 0.020 1 1390 141 141 ALA HA H 4.105 0.020 1 1391 141 141 ALA HB H 1.505 0.020 1 1392 141 141 ALA C C 180.855 0.400 1 1393 141 141 ALA CA C 54.563 0.400 1 1394 141 141 ALA CB C 17.955 0.400 1 1395 141 141 ALA N N 119.351 0.400 1 1396 142 142 ALA H H 7.617 0.020 1 1397 142 142 ALA HA H 4.151 0.020 1 1398 142 142 ALA HB H 1.454 0.020 1 1399 142 142 ALA C C 178.353 0.400 1 1400 142 142 ALA CA C 55.061 0.400 1 1401 142 142 ALA CB C 18.548 0.400 1 1402 142 142 ALA N N 121.501 0.400 1 1403 143 143 HIS H H 7.932 0.020 1 1404 143 143 HIS HA H 3.777 0.020 1 1405 143 143 HIS HB2 H 3.476 0.020 2 1406 143 143 HIS HB3 H 2.926 0.020 2 1407 143 143 HIS C C 177.361 0.400 1 1408 143 143 HIS CA C 60.833 0.400 1 1409 143 143 HIS CB C 31.277 0.400 1 1410 143 143 HIS N N 116.406 0.400 1 1411 144 144 ASP H H 8.737 0.020 1 1412 144 144 ASP HA H 4.430 0.020 1 1413 144 144 ASP C C 178.802 0.400 1 1414 144 144 ASP CA C 57.676 0.400 1 1415 144 144 ASP CB C 39.824 0.400 1 1416 144 144 ASP N N 118.553 0.400 1 1417 145 145 ALA H H 8.340 0.020 1 1418 145 145 ALA HA H 4.089 0.020 1 1419 145 145 ALA HB H 1.487 0.020 1 1420 145 145 ALA C C 180.890 0.400 1 1421 145 145 ALA CA C 55.197 0.400 1 1422 145 145 ALA CB C 17.970 0.400 1 1423 145 145 ALA N N 122.177 0.400 1 1424 146 146 VAL H H 7.541 0.020 1 1425 146 146 VAL HA H 3.618 0.020 1 1426 146 146 VAL HB H 1.968 0.020 1 1427 146 146 VAL HG1 H 1.001 0.020 2 1428 146 146 VAL HG2 H 1.001 0.020 2 1429 146 146 VAL C C 178.551 0.400 1 1430 146 146 VAL CA C 66.183 0.400 1 1431 146 146 VAL CB C 31.751 0.400 1 1432 146 146 VAL CG1 C 23.181 0.400 1 1433 146 146 VAL N N 118.784 0.400 1 1434 147 147 ALA H H 8.670 0.020 1 1435 147 147 ALA HA H 3.834 0.020 1 1436 147 147 ALA HB H 1.299 0.020 1 1437 147 147 ALA C C 180.560 0.400 1 1438 147 147 ALA CA C 55.144 0.400 1 1439 147 147 ALA CB C 18.437 0.400 1 1440 147 147 ALA N N 121.661 0.400 1 1441 148 148 GLN H H 7.866 0.020 1 1442 148 148 GLN HA H 4.185 0.020 1 1443 148 148 GLN HB2 H 2.194 0.020 2 1444 148 148 GLN HB3 H 2.194 0.020 2 1445 148 148 GLN HE21 H 6.917 0.020 1 1446 148 148 GLN HE22 H 7.415 0.020 1 1447 148 148 GLN HG2 H 2.540 0.020 2 1448 148 148 GLN HG3 H 2.450 0.020 2 1449 148 148 GLN C C 177.023 0.400 1 1450 148 148 GLN CA C 57.521 0.400 1 1451 148 148 GLN CB C 29.171 0.400 1 1452 148 148 GLN CG C 34.410 0.400 1 1453 148 148 GLN N N 114.730 0.400 1 1454 148 148 GLN NE2 N 111.788 0.400 1 1455 149 149 GLU H H 7.786 0.020 1 1456 149 149 GLU HA H 4.244 0.020 1 1457 149 149 GLU HB2 H 2.136 0.020 2 1458 149 149 GLU HB3 H 2.136 0.020 2 1459 149 149 GLU HG2 H 2.577 0.020 2 1460 149 149 GLU HG3 H 2.577 0.020 2 1461 149 149 GLU C C 177.427 0.400 1 1462 149 149 GLU CA C 57.405 0.400 1 1463 149 149 GLU CB C 29.795 0.400 1 1464 149 149 GLU CG C 36.628 0.400 1 1465 149 149 GLU N N 118.680 0.400 1 1466 150 150 GLY H H 7.663 0.020 1 1467 150 150 GLY HA2 H 4.310 0.020 2 1468 150 150 GLY HA3 H 3.752 0.020 2 1469 150 150 GLY C C 173.128 0.400 1 1470 150 150 GLY CA C 44.752 0.400 1 1471 150 150 GLY N N 106.895 0.400 1 1472 151 151 GLN H H 8.338 0.020 1 1473 151 151 GLN HA H 4.346 0.020 1 1474 151 151 GLN HB2 H 1.990 0.020 2 1475 151 151 GLN HB3 H 1.990 0.020 2 1476 151 151 GLN HE21 H 7.575 0.020 2 1477 151 151 GLN HE22 H 6.831 0.020 2 1478 151 151 GLN HG2 H 2.315 0.020 2 1479 151 151 GLN HG3 H 2.315 0.020 2 1480 151 151 GLN C C 175.692 0.400 1 1481 151 151 GLN CA C 55.724 0.400 1 1482 151 151 GLN CB C 29.489 0.400 1 1483 151 151 GLN CG C 33.880 0.400 1 1484 151 151 GLN N N 118.604 0.400 1 1485 151 151 GLN NE2 N 112.721 0.400 1 1486 152 152 CYS H H 8.480 0.020 1 1487 152 152 CYS HA H 4.398 0.020 1 1488 152 152 CYS HB2 H 2.807 0.020 2 1489 152 152 CYS HB3 H 2.807 0.020 2 1490 152 152 CYS C C 174.471 0.400 1 1491 152 152 CYS CA C 58.748 0.400 1 1492 152 152 CYS CB C 27.833 0.400 1 1493 152 152 CYS N N 120.607 0.400 1 1494 153 153 ARG H H 8.626 0.020 1 1495 153 153 ARG HA H 4.392 0.020 1 1496 153 153 ARG HB2 H 1.779 0.020 2 1497 153 153 ARG HB3 H 1.779 0.020 2 1498 153 153 ARG HD2 H 3.177 0.020 2 1499 153 153 ARG HD3 H 3.177 0.020 2 1500 153 153 ARG HG2 H 1.593 0.020 2 1501 153 153 ARG HG3 H 1.593 0.020 2 1502 153 153 ARG C C 176.132 0.400 1 1503 153 153 ARG CA C 55.693 0.400 1 1504 153 153 ARG CB C 30.919 0.400 1 1505 153 153 ARG CD C 43.306 0.400 1 1506 153 153 ARG CG C 27.160 0.400 1 1507 153 153 ARG N N 125.256 0.400 1 1508 154 154 VAL H H 8.308 0.020 1 1509 154 154 VAL HA H 4.078 0.020 1 1510 154 154 VAL HB H 2.048 0.020 1 1511 154 154 VAL HG1 H 0.894 0.020 2 1512 154 154 VAL HG2 H 0.894 0.020 2 1513 154 154 VAL C C 175.767 0.400 1 1514 154 154 VAL CA C 62.282 0.400 1 1515 154 154 VAL CB C 32.804 0.400 1 1516 154 154 VAL CG1 C 20.981 0.400 1 1517 154 154 VAL CG2 C 20.984 0.400 1 1518 154 154 VAL N N 122.050 0.400 1 1519 155 155 ASP H H 8.477 0.020 1 1520 155 155 ASP HA H 4.603 0.020 1 1521 155 155 ASP HB2 H 2.831 0.020 2 1522 155 155 ASP HB3 H 2.643 0.020 2 1523 155 155 ASP C C 175.993 0.400 1 1524 155 155 ASP CA C 54.142 0.400 1 1525 155 155 ASP CB C 41.510 0.400 1 1526 155 155 ASP N N 124.775 0.400 1 1527 156 156 ASP H H 8.343 0.020 1 1528 156 156 ASP HA H 4.519 0.020 1 1529 156 156 ASP HB2 H 2.723 0.020 2 1530 156 156 ASP HB3 H 2.723 0.020 2 1531 156 156 ASP C C 176.836 0.400 1 1532 156 156 ASP CA C 54.651 0.400 1 1533 156 156 ASP CB C 40.890 0.400 1 1534 156 156 ASP N N 121.725 0.400 1 1535 157 157 LYS H H 8.445 0.020 1 1536 157 157 LYS HA H 4.138 0.020 1 1537 157 157 LYS HB2 H 1.809 0.020 2 1538 157 157 LYS HB3 H 1.809 0.020 2 1539 157 157 LYS HD2 H 1.599 0.020 2 1540 157 157 LYS HD3 H 1.599 0.020 2 1541 157 157 LYS HE2 H 2.950 0.020 2 1542 157 157 LYS HE3 H 2.950 0.020 2 1543 157 157 LYS HG2 H 1.364 0.020 2 1544 157 157 LYS HG3 H 1.364 0.020 2 1545 157 157 LYS C C 176.747 0.400 1 1546 157 157 LYS CA C 56.841 0.400 1 1547 157 157 LYS CB C 32.376 0.400 1 1548 157 157 LYS CD C 28.763 0.400 1 1549 157 157 LYS CE C 41.990 0.400 1 1550 157 157 LYS CG C 25.070 0.400 1 1551 157 157 LYS N N 119.340 0.400 1 1552 158 158 VAL H H 7.663 0.020 1 1553 158 158 VAL HA H 3.963 0.020 1 1554 158 158 VAL HB H 1.851 0.020 1 1555 158 158 VAL HG1 H 0.742 0.020 2 1556 158 158 VAL HG2 H 0.515 0.020 2 1557 158 158 VAL C C 174.296 0.400 1 1558 158 158 VAL CA C 61.854 0.400 1 1559 158 158 VAL CB C 33.332 0.400 1 1560 158 158 VAL CG1 C 21.233 0.400 1 1561 158 158 VAL CG2 C 20.919 0.400 1 1562 158 158 VAL N N 119.418 0.400 1 1563 159 159 ASN H H 8.503 0.020 1 1564 159 159 ASN HA H 4.884 0.020 1 1565 159 159 ASN HB3 H 2.686 0.020 2 1566 159 159 ASN HD21 H 7.545 0.020 2 1567 159 159 ASN HD22 H 6.909 0.020 2 1568 159 159 ASN C C 174.014 0.400 1 1569 159 159 ASN CA C 52.067 0.400 1 1570 159 159 ASN CB C 39.413 0.400 1 1571 159 159 ASN N N 122.686 0.400 1 1572 159 159 ASN ND2 N 113.120 0.400 1 1573 160 160 PHE H H 8.467 0.020 1 1574 160 160 PHE HA H 4.748 0.020 1 1575 160 160 PHE HB2 H 2.796 0.020 2 1576 160 160 PHE HB3 H 2.796 0.020 2 1577 160 160 PHE C C 174.770 0.400 1 1578 160 160 PHE CA C 57.737 0.400 1 1579 160 160 PHE CB C 40.710 0.400 1 1580 160 160 PHE N N 121.129 0.400 1 1581 161 161 HIS H H 9.317 0.020 1 1582 161 161 HIS HA H 5.495 0.020 1 1583 161 161 HIS HB2 H 2.511 0.020 2 1584 161 161 HIS HB3 H 2.042 0.020 2 1585 161 161 HIS C C 171.563 0.400 1 1586 161 161 HIS CA C 53.401 0.400 1 1587 161 161 HIS CB C 34.339 0.400 1 1588 161 161 HIS N N 123.037 0.400 1 1589 162 162 PHE C C 174.613 0.400 1 1590 162 162 PHE CA C 54.301 0.400 1 1591 163 163 ILE H H 8.472 0.020 1 1592 163 163 ILE HA H 4.601 0.020 1 1593 163 163 ILE HB H 1.569 0.020 1 1594 163 163 ILE HD1 H 0.532 0.020 1 1595 163 163 ILE HG12 H 1.196 0.020 2 1596 163 163 ILE HG13 H 1.196 0.020 2 1597 163 163 ILE HG2 H 0.970 0.020 1 1598 163 163 ILE C C 172.267 0.400 1 1599 163 163 ILE CA C 59.644 0.400 1 1600 163 163 ILE CB C 42.915 0.400 1 1601 163 163 ILE CD1 C 15.484 0.400 1 1602 163 163 ILE CG1 C 24.280 0.400 1 1603 163 163 ILE CG2 C 19.234 0.400 1 1604 163 163 ILE N N 118.488 0.400 1 1605 164 164 LEU H H 7.289 0.020 1 1606 164 164 LEU HA H 4.714 0.020 1 1607 164 164 LEU HD1 H 0.974 0.020 2 1608 164 164 LEU HD2 H 0.974 0.020 2 1609 164 164 LEU HG H 1.431 0.020 1 1610 164 164 LEU C C 173.378 0.400 1 1611 164 164 LEU CA C 53.892 0.400 1 1612 164 164 LEU CB C 45.339 0.400 1 1613 164 164 LEU CD1 C 27.652 0.400 1 1614 164 164 LEU CG C 27.920 0.400 1 1615 164 164 LEU N N 120.683 0.400 1 1616 165 165 PHE H H 9.407 0.020 1 1617 165 165 PHE HA H 5.711 0.020 1 1618 165 165 PHE HB2 H 2.821 0.020 2 1619 165 165 PHE C C 174.387 0.400 1 1620 165 165 PHE CA C 57.013 0.400 1 1621 165 165 PHE CB C 41.476 0.400 1 1622 165 165 PHE N N 122.732 0.400 1 1623 166 166 ASN H H 9.281 0.020 1 1624 166 166 ASN HA H 4.849 0.020 1 1625 166 166 ASN HB2 H 2.853 0.020 2 1626 166 166 ASN HB3 H 2.766 0.020 2 1627 166 166 ASN HD21 H 6.555 0.020 1 1628 166 166 ASN C C 173.143 0.400 1 1629 166 166 ASN CA C 52.605 0.400 1 1630 166 166 ASN CB C 44.032 0.400 1 1631 166 166 ASN N N 120.397 0.400 1 1632 166 166 ASN ND2 N 103.040 0.400 1 1633 167 167 ASN H H 9.249 0.020 1 1634 167 167 ASN HA H 5.926 0.020 1 1635 167 167 ASN HB2 H 2.701 0.020 2 1636 167 167 ASN HB3 H 2.623 0.020 2 1637 167 167 ASN HD21 H 7.184 0.020 1 1638 167 167 ASN HD22 H 5.964 0.020 1 1639 167 167 ASN C C 176.566 0.400 1 1640 167 167 ASN CA C 53.160 0.400 1 1641 167 167 ASN CB C 39.523 0.400 1 1642 167 167 ASN N N 125.625 0.400 1 1643 167 167 ASN ND2 N 107.454 0.400 1 1644 168 168 VAL H H 9.349 0.020 1 1645 168 168 VAL HA H 4.319 0.020 1 1646 168 168 VAL HB H 2.023 0.020 1 1647 168 168 VAL HG1 H 0.945 0.020 2 1648 168 168 VAL HG2 H 0.798 0.020 2 1649 168 168 VAL C C 176.175 0.400 1 1650 168 168 VAL CA C 62.449 0.400 1 1651 168 168 VAL CB C 35.275 0.400 1 1652 168 168 VAL CG1 C 21.238 0.400 1 1653 168 168 VAL CG2 C 21.207 0.400 1 1654 168 168 VAL N N 124.694 0.400 1 1655 169 169 ASP H H 9.679 0.020 1 1656 169 169 ASP HA H 4.485 0.020 1 1657 169 169 ASP HB2 H 3.312 0.020 2 1658 169 169 ASP HB3 H 2.372 0.020 2 1659 169 169 ASP C C 177.111 0.400 1 1660 169 169 ASP CA C 54.948 0.400 1 1661 169 169 ASP CB C 40.339 0.400 1 1662 169 169 ASP N N 128.578 0.400 1 1663 170 170 GLY H H 8.658 0.020 1 1664 170 170 GLY HA2 H 4.115 0.020 1 1665 170 170 GLY HA3 H 3.974 0.020 1 1666 170 170 GLY C C 174.292 0.400 1 1667 170 170 GLY CA C 46.164 0.400 1 1668 170 170 GLY N N 105.089 0.400 1 1669 171 171 HIS H H 7.969 0.020 1 1670 171 171 HIS HA H 4.950 0.020 1 1671 171 171 HIS HB2 H 2.973 0.020 2 1672 171 171 HIS HB3 H 2.973 0.020 2 1673 171 171 HIS C C 171.778 0.400 1 1674 171 171 HIS CA C 54.711 0.400 1 1675 171 171 HIS CB C 31.703 0.400 1 1676 171 171 HIS N N 118.277 0.400 1 1677 172 172 LEU H H 8.588 0.020 1 1678 172 172 LEU HA H 4.798 0.020 1 1679 172 172 LEU HD1 H 0.994 0.020 2 1680 172 172 LEU HD2 H 0.715 0.020 2 1681 172 172 LEU HG H 1.416 0.020 1 1682 172 172 LEU C C 174.250 0.400 1 1683 172 172 LEU CA C 54.328 0.400 1 1684 172 172 LEU CB C 42.096 0.400 1 1685 172 172 LEU CD1 C 24.870 0.400 1 1686 172 172 LEU CD2 C 26.163 0.400 1 1687 172 172 LEU CG C 27.920 0.400 1 1688 172 172 LEU N N 122.870 0.400 1 1689 173 173 TYR H H 9.304 0.020 1 1690 173 173 TYR HA H 5.689 0.020 1 1691 173 173 TYR HB2 H 2.806 0.020 1 1692 173 173 TYR HB3 H 2.681 0.020 1 1693 173 173 TYR C C 174.390 0.400 1 1694 173 173 TYR CA C 57.306 0.400 1 1695 173 173 TYR CB C 42.332 0.400 1 1696 173 173 TYR N N 125.402 0.400 1 1697 174 174 GLU H H 9.196 0.020 1 1698 174 174 GLU HA H 5.194 0.020 1 1699 174 174 GLU HB2 H 2.173 0.020 2 1700 174 174 GLU HB3 H 2.173 0.020 2 1701 174 174 GLU C C 176.310 0.400 1 1702 174 174 GLU CA C 52.757 0.400 1 1703 174 174 GLU CB C 34.162 0.400 1 1704 174 174 GLU N N 122.325 0.400 1 1705 175 175 LEU H H 9.905 0.020 1 1706 175 175 LEU HA H 4.579 0.020 1 1707 175 175 LEU HB2 H 1.537 0.020 2 1708 175 175 LEU HB3 H 1.537 0.020 2 1709 175 175 LEU HD1 H 0.728 0.020 2 1710 175 175 LEU HD2 H 0.606 0.020 2 1711 175 175 LEU HG H 1.372 0.020 1 1712 175 175 LEU C C 174.708 0.400 1 1713 175 175 LEU CA C 55.889 0.400 1 1714 175 175 LEU CB C 43.101 0.400 1 1715 175 175 LEU CD1 C 25.705 0.400 1 1716 175 175 LEU CD2 C 27.045 0.400 1 1717 175 175 LEU CG C 29.710 0.400 1 1718 175 175 LEU N N 129.088 0.400 1 1719 176 176 ASP H H 9.347 0.020 1 1720 176 176 ASP HA H 4.823 0.020 1 1721 176 176 ASP HB2 H 2.765 0.020 2 1722 176 176 ASP HB3 H 2.765 0.020 2 1723 176 176 ASP C C 177.381 0.400 1 1724 176 176 ASP CA C 53.014 0.400 1 1725 176 176 ASP CB C 43.557 0.400 1 1726 176 176 ASP N N 128.486 0.400 1 1727 177 177 GLY H H 9.479 0.020 1 1728 177 177 GLY HA2 H 3.961 0.020 2 1729 177 177 GLY HA3 H 3.445 0.020 2 1730 177 177 GLY C C 176.425 0.400 1 1731 177 177 GLY CA C 47.252 0.400 1 1732 177 177 GLY N N 112.929 0.400 1 1733 178 178 ARG H H 9.413 0.020 1 1734 178 178 ARG C C 178.119 0.400 1 1735 178 178 ARG CA C 57.116 0.400 1 1736 178 178 ARG CB C 30.213 0.400 1 1737 178 178 ARG N N 119.733 0.400 1 1738 179 179 MET H H 8.303 0.020 1 1739 179 179 MET CA C 53.553 0.400 1 1740 179 179 MET N N 120.481 0.400 1 1741 180 180 PRO HA H 4.360 0.020 1 1742 180 180 PRO HB2 H 2.129 0.020 2 1743 180 180 PRO HB3 H 1.561 0.020 2 1744 180 180 PRO C C 175.444 0.400 1 1745 180 180 PRO CA C 62.850 0.400 1 1746 180 180 PRO CB C 31.752 0.400 1 1747 181 181 PHE H H 6.728 0.020 1 1748 181 181 PHE HA H 4.363 0.020 1 1749 181 181 PHE HB2 H 3.303 0.020 2 1750 181 181 PHE HB3 H 3.033 0.020 2 1751 181 181 PHE C C 173.397 0.400 1 1752 181 181 PHE CA C 52.243 0.400 1 1753 181 181 PHE CB C 37.339 0.400 1 1754 181 181 PHE N N 112.979 0.400 1 1755 182 182 PRO HA H 4.466 0.020 1 1756 182 182 PRO HB2 H 1.873 0.020 2 1757 182 182 PRO HB3 H 1.873 0.020 2 1758 182 182 PRO HG2 H 1.595 0.020 2 1759 182 182 PRO HG3 H 1.595 0.020 2 1760 182 182 PRO C C 173.952 0.400 1 1761 182 182 PRO CA C 61.960 0.400 1 1762 182 182 PRO CB C 33.500 0.400 1 1763 183 183 VAL H H 8.621 0.020 1 1764 183 183 VAL HA H 4.150 0.020 1 1765 183 183 VAL HB H 2.062 0.020 1 1766 183 183 VAL HG1 H 0.887 0.020 2 1767 183 183 VAL HG2 H 0.366 0.020 2 1768 183 183 VAL C C 174.775 0.400 1 1769 183 183 VAL CA C 62.013 0.400 1 1770 183 183 VAL CB C 34.447 0.400 1 1771 183 183 VAL CG1 C 20.885 0.400 1 1772 183 183 VAL CG2 C 20.350 0.400 1 1773 183 183 VAL N N 119.313 0.400 1 1774 184 184 ASN H H 8.731 0.020 1 1775 184 184 ASN HA H 4.208 0.020 1 1776 184 184 ASN HB2 H 3.089 0.020 2 1777 184 184 ASN HB3 H 2.435 0.020 2 1778 184 184 ASN HD21 H 7.472 0.020 2 1779 184 184 ASN HD22 H 5.645 0.020 2 1780 184 184 ASN C C 176.020 0.400 1 1781 184 184 ASN CA C 52.034 0.400 1 1782 184 184 ASN CB C 38.262 0.400 1 1783 184 184 ASN N N 126.058 0.400 1 1784 184 184 ASN ND2 N 108.682 0.400 1 1785 185 185 HIS H H 9.567 0.020 1 1786 185 185 HIS HA H 4.729 0.020 1 1787 185 185 HIS HB2 H 3.593 0.020 2 1788 185 185 HIS HB3 H 3.593 0.020 2 1789 185 185 HIS C C 175.045 0.400 1 1790 185 185 HIS CA C 56.950 0.400 1 1791 185 185 HIS CB C 29.777 0.400 1 1792 185 185 HIS N N 125.378 0.400 1 1793 186 186 GLY H H 8.801 0.020 1 1794 186 186 GLY HA2 H 4.552 0.020 2 1795 186 186 GLY HA3 H 3.778 0.020 2 1796 186 186 GLY C C 172.464 0.400 1 1797 186 186 GLY CA C 43.821 0.400 1 1798 186 186 GLY N N 109.568 0.400 1 1799 187 187 ALA H H 8.291 0.020 1 1800 187 187 ALA HA H 3.955 0.020 1 1801 187 187 ALA HB H 1.204 0.020 1 1802 187 187 ALA C C 177.728 0.400 1 1803 187 187 ALA CA C 52.645 0.400 1 1804 187 187 ALA CB C 18.552 0.400 1 1805 187 187 ALA N N 120.740 0.400 1 1806 188 188 SER H H 7.893 0.020 1 1807 188 188 SER HA H 4.310 0.020 1 1808 188 188 SER HB2 H 3.737 0.020 2 1809 188 188 SER HB3 H 3.737 0.020 2 1810 188 188 SER C C 173.190 0.400 1 1811 188 188 SER CA C 57.126 0.400 1 1812 188 188 SER CB C 64.309 0.400 1 1813 188 188 SER N N 115.978 0.400 1 1814 189 189 SER H H 8.281 0.020 1 1815 189 189 SER HA H 4.721 0.020 1 1816 189 189 SER HB2 H 4.060 0.020 2 1817 189 189 SER HB3 H 3.931 0.020 2 1818 189 189 SER C C 175.584 0.400 1 1819 189 189 SER CA C 57.177 0.400 1 1820 189 189 SER CB C 65.699 0.400 1 1821 189 189 SER N N 117.619 0.400 1 1822 190 190 GLU H H 9.303 0.020 1 1823 190 190 GLU HA H 4.000 0.020 1 1824 190 190 GLU HB2 H 2.151 0.020 2 1825 190 190 GLU HB3 H 2.151 0.020 2 1826 190 190 GLU HG2 H 2.415 0.020 2 1827 190 190 GLU HG3 H 2.415 0.020 2 1828 190 190 GLU C C 178.707 0.400 1 1829 190 190 GLU CA C 60.488 0.400 1 1830 190 190 GLU CB C 29.381 0.400 1 1831 190 190 GLU CG C 36.703 0.400 1 1832 190 190 GLU N N 124.054 0.400 1 1833 191 191 ASP H H 8.414 0.020 1 1834 191 191 ASP HA H 4.562 0.020 1 1835 191 191 ASP HB2 H 2.717 0.020 2 1836 191 191 ASP HB3 H 2.717 0.020 2 1837 191 191 ASP C C 177.654 0.400 1 1838 191 191 ASP CA C 55.929 0.400 1 1839 191 191 ASP CB C 40.730 0.400 1 1840 191 191 ASP N N 115.331 0.400 1 1841 192 192 THR H H 7.538 0.020 1 1842 192 192 THR HA H 4.660 0.020 1 1843 192 192 THR HB H 4.619 0.020 1 1844 192 192 THR HG2 H 1.054 0.020 1 1845 192 192 THR C C 173.566 0.400 1 1846 192 192 THR CA C 61.374 0.400 1 1847 192 192 THR CB C 68.469 0.400 1 1848 192 192 THR CG2 C 20.928 0.400 1 1849 192 192 THR N N 108.625 0.400 1 1850 193 193 LEU H H 7.146 0.020 1 1851 193 193 LEU HA H 4.104 0.020 1 1852 193 193 LEU HB2 H 1.734 0.020 2 1853 193 193 LEU HB3 H 1.734 0.020 2 1854 193 193 LEU HD1 H 0.797 0.020 2 1855 193 193 LEU HD2 H 0.797 0.020 2 1856 193 193 LEU HG H 1.496 0.020 1 1857 193 193 LEU C C 177.750 0.400 1 1858 193 193 LEU CA C 59.180 0.400 1 1859 193 193 LEU CB C 41.438 0.400 1 1860 193 193 LEU CD2 C 24.636 0.400 1 1861 193 193 LEU CG C 27.990 0.400 1 1862 193 193 LEU N N 124.091 0.400 1 1863 194 194 LEU H H 8.437 0.020 1 1864 194 194 LEU HA H 3.777 0.020 1 1865 194 194 LEU HB2 H 1.766 0.020 1 1866 194 194 LEU HB3 H 1.487 0.020 1 1867 194 194 LEU HD1 H 0.913 0.020 2 1868 194 194 LEU HD2 H 0.823 0.020 2 1869 194 194 LEU HG H 1.732 0.020 1 1870 194 194 LEU C C 178.289 0.400 1 1871 194 194 LEU CA C 59.019 0.400 1 1872 194 194 LEU CB C 41.174 0.400 1 1873 194 194 LEU CD1 C 25.726 0.400 1 1874 194 194 LEU CD2 C 24.445 0.400 1 1875 194 194 LEU CG C 27.077 0.400 1 1876 194 194 LEU N N 115.873 0.400 1 1877 195 195 LYS H H 7.832 0.020 1 1878 195 195 LYS HA H 3.800 0.020 1 1879 195 195 LYS HB2 H 1.752 0.020 2 1880 195 195 LYS HB3 H 1.752 0.020 2 1881 195 195 LYS HD2 H 1.638 0.020 2 1882 195 195 LYS HD3 H 1.638 0.020 2 1883 195 195 LYS HE2 H 2.935 0.020 2 1884 195 195 LYS HE3 H 2.935 0.020 2 1885 195 195 LYS HG2 H 1.352 0.020 2 1886 195 195 LYS HG3 H 1.352 0.020 2 1887 195 195 LYS C C 179.528 0.400 1 1888 195 195 LYS CA C 59.511 0.400 1 1889 195 195 LYS CB C 32.490 0.400 1 1890 195 195 LYS CD C 29.770 0.400 1 1891 195 195 LYS CE C 42.040 0.400 1 1892 195 195 LYS N N 117.811 0.400 1 1893 196 196 ASP H H 8.890 0.020 1 1894 196 196 ASP HA H 4.335 0.020 1 1895 196 196 ASP HB2 H 2.644 0.020 2 1896 196 196 ASP HB3 H 2.644 0.020 2 1897 196 196 ASP C C 178.843 0.400 1 1898 196 196 ASP CA C 57.145 0.400 1 1899 196 196 ASP CB C 39.817 0.400 1 1900 196 196 ASP N N 121.925 0.400 1 1901 197 197 ALA H H 9.174 0.020 1 1902 197 197 ALA HA H 3.591 0.020 1 1903 197 197 ALA HB H 1.217 0.020 1 1904 197 197 ALA C C 179.746 0.400 1 1905 197 197 ALA CA C 54.532 0.400 1 1906 197 197 ALA CB C 19.042 0.400 1 1907 197 197 ALA N N 122.346 0.400 1 1908 198 198 ALA H H 8.789 0.020 1 1909 198 198 ALA HA H 3.604 0.020 1 1910 198 198 ALA HB H 1.465 0.020 1 1911 198 198 ALA C C 178.678 0.400 1 1912 198 198 ALA CA C 55.813 0.400 1 1913 198 198 ALA CB C 18.578 0.400 1 1914 198 198 ALA N N 121.711 0.400 1 1915 199 199 LYS H H 7.255 0.020 1 1916 199 199 LYS HA H 3.789 0.020 1 1917 199 199 LYS HB2 H 1.913 0.020 2 1918 199 199 LYS HB3 H 1.913 0.020 2 1919 199 199 LYS HD2 H 1.661 0.020 2 1920 199 199 LYS HD3 H 1.661 0.020 2 1921 199 199 LYS HE2 H 2.990 0.020 2 1922 199 199 LYS HE3 H 2.990 0.020 2 1923 199 199 LYS HG2 H 2.011 0.020 2 1924 199 199 LYS HG3 H 1.766 0.020 2 1925 199 199 LYS C C 179.036 0.400 1 1926 199 199 LYS CA C 60.030 0.400 1 1927 199 199 LYS CB C 32.089 0.400 1 1928 199 199 LYS CD C 30.160 0.400 1 1929 199 199 LYS CG C 34.107 0.400 1 1930 199 199 LYS N N 116.958 0.400 1 1931 200 200 VAL H H 6.681 0.020 1 1932 200 200 VAL HA H 3.587 0.020 1 1933 200 200 VAL HB H 1.578 0.020 1 1934 200 200 VAL HG1 H 0.901 0.020 2 1935 200 200 VAL HG2 H 0.510 0.020 2 1936 200 200 VAL C C 179.416 0.400 1 1937 200 200 VAL CA C 65.640 0.400 1 1938 200 200 VAL CB C 30.592 0.400 1 1939 200 200 VAL CG1 C 23.041 0.400 1 1940 200 200 VAL CG2 C 21.100 0.400 1 1941 200 200 VAL N N 118.423 0.400 1 1942 201 201 CYS H H 7.967 0.020 1 1943 201 201 CYS HA H 3.879 0.020 1 1944 201 201 CYS HB2 H 3.060 0.020 2 1945 201 201 CYS HB3 H 3.060 0.020 2 1946 201 201 CYS C C 177.318 0.400 1 1947 201 201 CYS CA C 64.485 0.400 1 1948 201 201 CYS CB C 27.430 0.400 1 1949 201 201 CYS N N 117.686 0.400 1 1950 202 202 ARG H H 8.427 0.020 1 1951 202 202 ARG HA H 4.004 0.020 1 1952 202 202 ARG C C 179.084 0.400 1 1953 202 202 ARG CA C 59.576 0.400 1 1954 202 202 ARG CB C 29.554 0.400 1 1955 202 202 ARG N N 118.288 0.400 1 1956 203 203 GLU H H 7.551 0.020 1 1957 203 203 GLU HA H 3.960 0.020 1 1958 203 203 GLU HB2 H 2.451 0.020 2 1959 203 203 GLU HB3 H 2.451 0.020 2 1960 203 203 GLU HG2 H 2.590 0.020 2 1961 203 203 GLU HG3 H 2.590 0.020 2 1962 203 203 GLU C C 179.632 0.400 1 1963 203 203 GLU CA C 59.371 0.400 1 1964 203 203 GLU CB C 28.572 0.400 1 1965 203 203 GLU CG C 36.300 0.400 1 1966 203 203 GLU N N 119.713 0.400 1 1967 204 204 PHE H H 7.635 0.020 1 1968 204 204 PHE HA H 3.769 0.020 1 1969 204 204 PHE HB2 H 3.521 0.020 2 1970 204 204 PHE HB3 H 2.781 0.020 2 1971 204 204 PHE C C 179.536 0.400 1 1972 204 204 PHE CA C 61.304 0.400 1 1973 204 204 PHE CB C 38.360 0.400 1 1974 204 204 PHE N N 117.850 0.400 1 1975 205 205 THR H H 7.466 0.020 1 1976 205 205 THR HA H 3.540 0.020 1 1977 205 205 THR HB H 3.904 0.020 1 1978 205 205 THR HG2 H 0.420 0.020 1 1979 205 205 THR C C 177.073 0.400 1 1980 205 205 THR CA C 64.453 0.400 1 1981 205 205 THR CB C 67.968 0.400 1 1982 205 205 THR CG2 C 20.506 0.400 1 1983 205 205 THR N N 110.101 0.400 1 1984 206 206 GLU H H 7.595 0.020 1 1985 206 206 GLU HA H 4.052 0.020 1 1986 206 206 GLU HB2 H 2.008 0.020 2 1987 206 206 GLU HB3 H 2.008 0.020 2 1988 206 206 GLU HG2 H 2.326 0.020 2 1989 206 206 GLU HG3 H 2.236 0.020 2 1990 206 206 GLU C C 178.497 0.400 1 1991 206 206 GLU CA C 57.904 0.400 1 1992 206 206 GLU CB C 29.480 0.400 1 1993 206 206 GLU CG C 36.530 0.400 1 1994 206 206 GLU N N 121.613 0.400 1 1995 207 207 ARG H H 7.265 0.020 1 1996 207 207 ARG HA H 4.054 0.020 1 1997 207 207 ARG HB2 H 2.049 0.020 2 1998 207 207 ARG HB3 H 2.049 0.020 2 1999 207 207 ARG HD2 H 3.157 0.020 2 2000 207 207 ARG HD3 H 3.157 0.020 2 2001 207 207 ARG HG2 H 1.819 0.020 2 2002 207 207 ARG HG3 H 1.819 0.020 2 2003 207 207 ARG C C 176.843 0.400 1 2004 207 207 ARG CA C 58.860 0.400 1 2005 207 207 ARG CB C 31.394 0.400 1 2006 207 207 ARG CD C 43.340 0.400 1 2007 207 207 ARG CG C 29.298 0.400 1 2008 207 207 ARG N N 116.998 0.400 1 2009 208 208 GLU H H 7.119 0.020 1 2010 208 208 GLU HA H 4.563 0.020 1 2011 208 208 GLU HB2 H 2.412 0.020 2 2012 208 208 GLU HB3 H 2.412 0.020 2 2013 208 208 GLU HG2 H 2.443 0.020 2 2014 208 208 GLU HG3 H 2.443 0.020 2 2015 208 208 GLU C C 175.201 0.400 1 2016 208 208 GLU CA C 54.630 0.400 1 2017 208 208 GLU CB C 30.596 0.400 1 2018 208 208 GLU CG C 36.400 0.400 1 2019 208 208 GLU N N 118.204 0.400 1 2020 209 209 GLN H H 8.258 0.020 1 2021 209 209 GLN HA H 4.304 0.020 1 2022 209 209 GLN HB2 H 2.205 0.020 2 2023 209 209 GLN HB3 H 2.052 0.020 2 2024 209 209 GLN HE21 H 7.602 0.020 2 2025 209 209 GLN HE22 H 6.851 0.020 2 2026 209 209 GLN HG2 H 2.409 0.020 2 2027 209 209 GLN HG3 H 2.409 0.020 2 2028 209 209 GLN C C 177.055 0.400 1 2029 209 209 GLN CA C 56.630 0.400 1 2030 209 209 GLN CB C 28.926 0.400 1 2031 209 209 GLN CG C 34.121 0.400 1 2032 209 209 GLN N N 120.486 0.400 1 2033 209 209 GLN NE2 N 113.051 0.400 1 2034 210 210 GLY H H 8.768 0.020 1 2035 210 210 GLY HA2 H 4.050 0.020 2 2036 210 210 GLY C C 173.800 0.400 1 2037 210 210 GLY CA C 45.245 0.400 1 2038 210 210 GLY N N 110.340 0.400 1 2039 211 211 GLU H H 8.256 0.020 1 2040 211 211 GLU HA H 4.481 0.020 1 2041 211 211 GLU HB2 H 2.261 0.020 1 2042 211 211 GLU HB3 H 2.002 0.020 1 2043 211 211 GLU HG2 H 2.174 0.020 2 2044 211 211 GLU HG3 H 2.174 0.020 2 2045 211 211 GLU C C 176.053 0.400 1 2046 211 211 GLU CA C 55.844 0.400 1 2047 211 211 GLU CB C 30.515 0.400 1 2048 211 211 GLU CG C 36.973 0.400 1 2049 211 211 GLU N N 121.282 0.400 1 2050 212 212 VAL H H 8.056 0.020 1 2051 212 212 VAL HA H 4.589 0.020 1 2052 212 212 VAL HB H 2.310 0.020 1 2053 212 212 VAL HG1 H 0.944 0.020 2 2054 212 212 VAL HG2 H 0.944 0.020 2 2055 212 212 VAL C C 176.585 0.400 1 2056 212 212 VAL CA C 61.260 0.400 1 2057 212 212 VAL CB C 33.254 0.400 1 2058 212 212 VAL CG1 C 19.979 0.400 1 2059 212 212 VAL CG2 C 19.979 0.400 1 2060 212 212 VAL N N 119.108 0.400 1 2061 213 213 ARG H H 8.669 0.020 1 2062 213 213 ARG HA H 4.539 0.020 1 2063 213 213 ARG HB2 H 1.891 0.020 2 2064 213 213 ARG HB3 H 1.891 0.020 2 2065 213 213 ARG HD2 H 3.225 0.020 2 2066 213 213 ARG HD3 H 3.225 0.020 2 2067 213 213 ARG HG2 H 1.718 0.020 2 2068 213 213 ARG HG3 H 1.718 0.020 2 2069 213 213 ARG C C 174.317 0.400 1 2070 213 213 ARG CA C 56.196 0.400 1 2071 213 213 ARG CB C 30.156 0.400 1 2072 213 213 ARG CD C 43.634 0.400 1 2073 213 213 ARG N N 126.183 0.400 1 2074 214 214 PHE H H 8.105 0.020 1 2075 214 214 PHE HA H 5.311 0.020 1 2076 214 214 PHE HB2 H 3.093 0.020 2 2077 214 214 PHE HB3 H 3.093 0.020 2 2078 214 214 PHE C C 176.022 0.400 1 2079 214 214 PHE CA C 56.532 0.400 1 2080 214 214 PHE CB C 41.838 0.400 1 2081 214 214 PHE N N 120.391 0.400 1 2082 215 215 SER H H 8.956 0.020 1 2083 215 215 SER HA H 4.872 0.020 1 2084 215 215 SER HB2 H 3.919 0.020 2 2085 215 215 SER HB3 H 3.919 0.020 2 2086 215 215 SER C C 171.489 0.400 1 2087 215 215 SER CA C 57.676 0.400 1 2088 215 215 SER CB C 65.432 0.400 1 2089 215 215 SER N N 115.667 0.400 1 2090 216 216 ALA H H 9.072 0.020 1 2091 216 216 ALA HA H 5.900 0.020 1 2092 216 216 ALA HB H 1.353 0.020 1 2093 216 216 ALA C C 176.413 0.400 1 2094 216 216 ALA CA C 50.611 0.400 1 2095 216 216 ALA CB C 21.856 0.400 1 2096 216 216 ALA N N 124.222 0.400 1 2097 217 217 VAL H H 9.049 0.020 1 2098 217 217 VAL HA H 5.290 0.020 1 2099 217 217 VAL HB H 2.130 0.020 1 2100 217 217 VAL HG1 H 0.950 0.020 2 2101 217 217 VAL HG2 H 0.950 0.020 2 2102 217 217 VAL C C 173.683 0.400 1 2103 217 217 VAL CA C 59.392 0.400 1 2104 217 217 VAL CB C 36.399 0.400 1 2105 217 217 VAL CG1 C 23.040 0.400 1 2106 217 217 VAL CG2 C 20.918 0.400 1 2107 217 217 VAL N N 115.377 0.400 1 2108 218 218 ALA H H 9.218 0.020 1 2109 218 218 ALA HA H 5.652 0.020 1 2110 218 218 ALA HB H 1.341 0.020 1 2111 218 218 ALA C C 175.504 0.400 1 2112 218 218 ALA CA C 49.914 0.400 1 2113 218 218 ALA CB C 22.322 0.400 1 2114 218 218 ALA N N 124.206 0.400 1 2115 219 219 LEU H H 8.071 0.020 1 2116 219 219 LEU HA H 4.587 0.020 1 2117 219 219 LEU HB2 H 0.768 0.020 2 2118 219 219 LEU HB3 H 0.768 0.020 2 2119 219 219 LEU HD1 H 0.343 0.020 2 2120 219 219 LEU HD2 H -0.175 0.020 2 2121 219 219 LEU HG H 1.222 0.020 1 2122 219 219 LEU C C 174.721 0.400 1 2123 219 219 LEU CA C 54.015 0.400 1 2124 219 219 LEU CB C 43.477 0.400 1 2125 219 219 LEU CD1 C 25.466 0.400 1 2126 219 219 LEU CD2 C 20.325 0.400 1 2127 219 219 LEU CG C 26.739 0.400 1 2128 219 219 LEU N N 124.137 0.400 1 2129 220 220 CYS H H 9.060 0.020 1 2130 220 220 CYS HA H 5.706 0.020 1 2131 220 220 CYS HB2 H 2.797 0.020 2 2132 220 220 CYS HB3 H 2.677 0.020 2 2133 220 220 CYS C C 172.893 0.400 1 2134 220 220 CYS CA C 57.421 0.400 1 2135 220 220 CYS CB C 32.569 0.400 1 2136 220 220 CYS N N 123.982 0.400 1 2137 221 221 LYS H H 7.455 0.020 1 2138 221 221 LYS HA H 3.483 0.020 1 2139 221 221 LYS HB2 H 1.050 0.020 1 2140 221 221 LYS HB3 H -0.266 0.020 1 2141 221 221 LYS HD2 H 1.188 0.020 2 2142 221 221 LYS HD3 H 1.188 0.020 2 2143 221 221 LYS HE2 H 2.662 0.020 2 2144 221 221 LYS HE3 H 2.662 0.020 2 2145 221 221 LYS HG2 H 0.568 0.020 2 2146 221 221 LYS HG3 H -0.037 0.020 2 2147 221 221 LYS C C 175.130 0.400 1 2148 221 221 LYS CA C 55.582 0.400 1 2149 221 221 LYS CB C 31.276 0.400 1 2150 221 221 LYS CD C 29.145 0.400 1 2151 221 221 LYS CE C 41.906 0.400 1 2152 221 221 LYS CG C 25.044 0.400 1 2153 221 221 LYS N N 125.028 0.400 1 2154 222 222 ALA H H 7.836 0.020 1 2155 222 222 ALA HA H 4.178 0.020 1 2156 222 222 ALA HB H 1.154 0.020 1 2157 222 222 ALA C C 176.444 0.400 1 2158 222 222 ALA CA C 51.636 0.400 1 2159 222 222 ALA CB C 19.835 0.400 1 2160 222 222 ALA N N 128.353 0.400 1 2161 223 223 ALA H H 8.228 0.020 1 2162 223 223 ALA HA H 4.257 0.020 1 2163 223 223 ALA HB H 1.316 0.020 1 2164 223 223 ALA C C 177.493 0.400 1 2165 223 223 ALA CA C 51.795 0.400 1 2166 223 223 ALA CB C 19.117 0.400 1 2167 223 223 ALA N N 123.734 0.400 1 2168 224 224 LEU H H 8.187 0.020 1 2169 224 224 LEU HA H 4.201 0.020 1 2170 224 224 LEU HB2 H 1.501 0.020 2 2171 224 224 LEU HB3 H 1.321 0.020 2 2172 224 224 LEU HD1 H 0.845 0.020 2 2173 224 224 LEU HD2 H 0.785 0.020 2 2174 224 224 LEU HG H 1.501 0.020 1 2175 224 224 LEU C C 177.383 0.400 1 2176 224 224 LEU CA C 55.127 0.400 1 2177 224 224 LEU CB C 42.282 0.400 1 2178 224 224 LEU CD1 C 24.845 0.400 1 2179 224 224 LEU CD2 C 23.651 0.400 1 2180 224 224 LEU CG C 26.810 0.400 1 2181 224 224 LEU N N 121.680 0.400 1 2182 225 225 GLU H H 8.404 0.020 1 2183 225 225 GLU HA H 4.162 0.020 1 2184 225 225 GLU HB2 H 1.837 0.020 2 2185 225 225 GLU HB3 H 1.837 0.020 2 2186 225 225 GLU HG2 H 2.140 0.020 2 2187 225 225 GLU HG3 H 2.140 0.020 2 2188 225 225 GLU C C 176.061 0.400 1 2189 225 225 GLU CA C 56.280 0.400 1 2190 225 225 GLU CB C 30.313 0.400 1 2191 225 225 GLU CG C 36.450 0.400 1 2192 225 225 GLU N N 121.584 0.400 1 2193 226 226 HIS H H 8.337 0.020 1 2194 226 226 HIS HA H 4.544 0.020 1 2195 226 226 HIS HB2 H 3.041 0.020 2 2196 226 226 HIS HB3 H 3.041 0.020 2 2197 226 226 HIS C C 174.855 0.400 1 2198 226 226 HIS CA C 55.838 0.400 1 2199 226 226 HIS CB C 30.173 0.400 1 2200 226 226 HIS N N 120.237 0.400 1 2201 227 227 HIS H H 7.820 0.020 1 2202 227 227 HIS HA H 4.140 0.020 1 2203 227 227 HIS C C 176.365 0.400 1 2204 227 227 HIS CA C 51.581 0.400 1 2205 227 227 HIS N N 126.684 0.400 1 2206 228 228 HIS H H 8.129 0.020 1 2207 228 228 HIS HA H 4.234 0.020 1 2208 228 228 HIS C C 177.393 0.400 1 2209 228 228 HIS CA C 51.885 0.400 1 2210 228 228 HIS N N 123.088 0.400 1 2211 230 230 HIS HA H 4.604 0.020 1 2212 230 230 HIS HB2 H 3.099 0.020 2 2213 230 230 HIS HB3 H 3.099 0.020 2 2214 230 230 HIS C C 173.934 0.400 1 2215 230 230 HIS CA C 55.834 0.400 1 2216 230 230 HIS CB C 30.120 0.400 1 2217 231 231 HIS H H 8.168 0.020 1 2218 231 231 HIS HA H 4.421 0.020 1 2219 231 231 HIS HB2 H 3.118 0.020 2 2220 231 231 HIS HB3 H 3.118 0.020 2 2221 231 231 HIS C C 179.193 0.400 1 2222 231 231 HIS CA C 57.229 0.400 1 2223 231 231 HIS CB C 30.109 0.400 1 2224 231 231 HIS N N 125.336 0.400 1 stop_ save_