data_5496 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of ubiquitin-like domain in Parkin: Gene product of familial Parkinson's disease ; _BMRB_accession_number 5496 _BMRB_flat_file_name bmr5496.str _Entry_type original _Submission_date 2002-08-07 _Accession_date 2002-08-08 _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 Tashiro Mitsuru . . 2 Okubo Seiji . . 3 Shimotakahara Sakurako . . 4 Hatanaka Hideki . . 5 Yasuda Hideyo . . 6 Kainosho Masatsune . . 7 Shigeyuki Yokoyama . . 8 Shindo Heisaburo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 458 "13C chemical shifts" 333 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-01-14 original author . stop_ _Original_release_date 2003-01-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: NMR structure of ubiquitin-like domain in PARKIN: Gene product of familial Parkinson's disease ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tashiro Mitsuru . . 2 Okubo Seiji . . 3 Shimotakahara Sakurako . . 4 Hatanaka Hideki . . 5 Yasuda Hideyo . . 6 Kainosho Masatsune . . 7 Shigeyuki Yokoyama . . 8 Shindo Heisaburo . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 25 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_title 'The 40th Japanese NMR conference' _Conference_site Kyoto _Conference_state_province . _Conference_country Japan _Conference_start_date 2001-11-14 _Conference_end_date 2001-11-16 _Conference_abstract_number p62 _Page_first 153 _Page_last 156 _Year 2003 _Details ; The entry was first published as a conference abstract, then submitted to JBNMR. ; loop_ _Keyword 'NMR structure' Parkin 'Parkinson's disease' ubiquitin stop_ save_ ################################## # Molecular system description # ################################## save_system_Uld _Saveframe_category molecular_system _Mol_system_name 'ubiquitin-like domain in murine PARKIN' _Abbreviation_common Uld _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Uld subunit 1' $Uld stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Uld _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ubiquitin-like domain in murine PARKIN' _Abbreviation_common Uld _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; MGMIVFVRFNSSYGFPVEVD SDTSILQLKEVVAKRQGVPA DQLRVIFAGKELPNHLTVQN CDLEQQSIVHIVQRPRRR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 MET 4 ILE 5 VAL 6 PHE 7 VAL 8 ARG 9 PHE 10 ASN 11 SER 12 SER 13 TYR 14 GLY 15 PHE 16 PRO 17 VAL 18 GLU 19 VAL 20 ASP 21 SER 22 ASP 23 THR 24 SER 25 ILE 26 LEU 27 GLN 28 LEU 29 LYS 30 GLU 31 VAL 32 VAL 33 ALA 34 LYS 35 ARG 36 GLN 37 GLY 38 VAL 39 PRO 40 ALA 41 ASP 42 GLN 43 LEU 44 ARG 45 VAL 46 ILE 47 PHE 48 ALA 49 GLY 50 LYS 51 GLU 52 LEU 53 PRO 54 ASN 55 HIS 56 LEU 57 THR 58 VAL 59 GLN 60 ASN 61 CYS 62 ASP 63 LEU 64 GLU 65 GLN 66 GLN 67 SER 68 ILE 69 VAL 70 HIS 71 ILE 72 VAL 73 GLN 74 ARG 75 PRO 76 ARG 77 ARG 78 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1MG8 "Nmr Structure Of Ubiquitin-Like Domain In Murine Parkin" 100.00 78 100.00 100.00 9.54e-49 PDB 2ZEQ "Crystal Structure Of Ubiquitin-Like Domain Of Murine Parkin" 100.00 78 100.00 100.00 9.54e-49 PDB 3B1L "Crystal Structure Of Parkin Ubiquitin-Like Domain R33q Mutant" 97.44 76 98.68 100.00 3.16e-46 DBJ BAA82404 "parkin [Mus musculus]" 97.44 464 100.00 100.00 1.78e-45 GB AAG13890 "parkin [Mus musculus]" 97.44 464 100.00 100.00 1.78e-45 GB AAG13891 "parkin [Mus musculus]" 97.44 262 100.00 100.00 3.04e-45 GB AAG13892 "parkin [Mus musculus]" 97.44 255 100.00 100.00 2.43e-45 GB AAI13205 "Parkinson disease (autosomal recessive, juvenile) 2, parkin [Mus musculus]" 97.44 464 100.00 100.00 1.78e-45 GB ACL93281 "truncated parkin variant SV3-6DEL [Mus musculus]" 73.08 65 100.00 100.00 1.70e-31 REF NP_057903 "E3 ubiquitin-protein ligase parkin [Mus musculus]" 97.44 464 100.00 100.00 1.78e-45 REF XP_006523397 "PREDICTED: E3 ubiquitin-protein ligase parkin isoform X1 [Mus musculus]" 94.87 479 100.00 100.00 2.77e-44 REF XP_006523398 "PREDICTED: E3 ubiquitin-protein ligase parkin isoform X2 [Mus musculus]" 94.87 478 100.00 100.00 2.74e-44 REF XP_006523399 "PREDICTED: E3 ubiquitin-protein ligase parkin isoform X3 [Mus musculus]" 97.44 465 100.00 100.00 1.61e-45 REF XP_006523401 "PREDICTED: E3 ubiquitin-protein ligase parkin isoform X5 [Mus musculus]" 94.87 276 100.00 100.00 8.37e-45 SP Q9WVS6 "RecName: Full=E3 ubiquitin-protein ligase parkin [Mus musculus]" 97.44 464 100.00 100.00 1.78e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Uld Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Uld 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Uld 1.0 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Saveframe_category software _Name NMRview _Version . _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Uld-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Uld-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Uld subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 GLY HA2 H 3.96 0.02 1 2 . 2 GLY HA3 H 3.96 0.02 1 3 . 2 GLY C C 169.3 0.2 1 4 . 2 GLY CA C 43.1 0.2 1 5 . 3 MET H H 9.05 0.02 1 6 . 3 MET HA H 4.77 0.02 1 7 . 3 MET HB2 H 1.90 0.02 2 8 . 3 MET HB3 H 1.84 0.02 2 9 . 3 MET HG2 H 2.23 0.02 1 10 . 3 MET HG3 H 2.23 0.02 1 11 . 3 MET C C 173.6 0.2 1 12 . 3 MET CA C 54.5 0.2 1 13 . 3 MET CB C 35.8 0.2 1 14 . 3 MET CG C 31.2 0.2 1 15 . 3 MET N N 120.3 0.2 1 16 . 4 ILE H H 8.31 0.02 1 17 . 4 ILE HA H 4.74 0.02 1 18 . 4 ILE HB H 1.76 0.02 1 19 . 4 ILE HG12 H 1.52 0.02 2 20 . 4 ILE HG13 H 1.23 0.02 2 21 . 4 ILE HG2 H 0.63 0.02 1 22 . 4 ILE HD1 H 0.77 0.02 1 23 . 4 ILE C C 175.8 0.2 1 24 . 4 ILE CA C 59.6 0.2 1 25 . 4 ILE CB C 38.5 0.2 1 26 . 4 ILE CG1 C 27.2 0.2 1 27 . 4 ILE CG2 C 18.2 0.2 1 28 . 4 ILE CD1 C 11.8 0.2 1 29 . 4 ILE N N 123.1 0.2 1 30 . 5 VAL H H 8.67 0.02 1 31 . 5 VAL HA H 4.46 0.02 1 32 . 5 VAL HB H 1.88 0.02 1 33 . 5 VAL HG1 H 0.70 0.02 2 34 . 5 VAL HG2 H 0.63 0.02 2 35 . 5 VAL C C 173.6 0.2 1 36 . 5 VAL CA C 59.5 0.2 1 37 . 5 VAL CB C 34.1 0.2 1 38 . 5 VAL CG1 C 21.8 0.2 2 39 . 5 VAL CG2 C 19.8 0.2 2 40 . 5 VAL N N 122.6 0.2 1 41 . 6 PHE H H 9.05 0.02 1 42 . 6 PHE HA H 4.68 0.02 1 43 . 6 PHE HB2 H 2.79 0.02 1 44 . 6 PHE HB3 H 2.79 0.02 1 45 . 6 PHE HD1 H 6.91 0.02 1 46 . 6 PHE HD2 H 6.91 0.02 1 47 . 6 PHE HE1 H 7.18 0.02 1 48 . 6 PHE HE2 H 7.18 0.02 1 49 . 6 PHE C C 173.8 0.2 1 50 . 6 PHE CA C 57.2 0.2 1 51 . 6 PHE CB C 40.7 0.2 1 52 . 6 PHE CD1 C 130.7 0.2 1 53 . 6 PHE CD2 C 130.7 0.2 1 54 . 6 PHE CE1 C 131.3 0.2 1 55 . 6 PHE CE2 C 131.3 0.2 1 56 . 6 PHE N N 124.1 0.2 1 57 . 7 VAL H H 8.33 0.02 1 58 . 7 VAL HA H 4.33 0.02 1 59 . 7 VAL HB H 1.20 0.02 1 60 . 7 VAL HG1 H 0.50 0.02 1 61 . 7 VAL HG2 H 0.50 0.02 1 62 . 7 VAL C C 174.8 0.2 1 63 . 7 VAL CA C 60.5 0.2 1 64 . 7 VAL CB C 32.1 0.2 1 65 . 7 VAL CG1 C 21.3 0.2 1 66 . 7 VAL CG2 C 21.3 0.2 1 67 . 7 VAL N N 124.3 0.2 1 68 . 8 ARG H H 8.59 0.02 1 69 . 8 ARG HA H 4.60 0.02 1 70 . 8 ARG HB2 H 1.68 0.02 2 71 . 8 ARG HB3 H 1.39 0.02 2 72 . 8 ARG HG2 H 1.52 0.02 1 73 . 8 ARG HG3 H 1.52 0.02 1 74 . 8 ARG HD2 H 3.01 0.02 1 75 . 8 ARG HD3 H 3.01 0.02 1 76 . 8 ARG C C 174.8 0.2 1 77 . 8 ARG CA C 54.6 0.2 1 78 . 8 ARG CB C 31.2 0.2 1 79 . 8 ARG CG C 27.1 0.2 1 80 . 8 ARG CD C 43.4 0.2 . 81 . 8 ARG N N 125.1 0.2 1 82 . 9 PHE H H 8.94 0.02 1 83 . 9 PHE HA H 5.19 0.02 1 84 . 9 PHE HB2 H 3.28 0.02 2 85 . 9 PHE HB3 H 2.83 0.02 2 86 . 9 PHE HD1 H 7.14 0.02 1 87 . 9 PHE HD2 H 7.14 0.02 1 88 . 9 PHE HE1 H 6.99 0.02 1 89 . 9 PHE HE2 H 6.99 0.02 1 90 . 9 PHE C C 175.0 0.2 1 91 . 9 PHE CA C 56.7 0.2 1 92 . 9 PHE CB C 40.9 0.2 1 93 . 9 PHE CD1 C 131.5 0.2 1 94 . 9 PHE CD2 C 131.5 0.2 1 95 . 9 PHE CE1 C 129.5 0.2 1 96 . 9 PHE CE2 C 129.5 0.2 1 97 . 9 PHE N N 127.3 0.2 1 98 . 10 ASN H H 8.95 0.02 1 99 . 10 ASN HA H 4.48 0.02 1 100 . 10 ASN HB2 H 3.14 0.02 2 101 . 10 ASN HB3 H 2.89 0.02 2 102 . 10 ASN HD21 H 7.56 0.02 2 103 . 10 ASN HD22 H 6.76 0.02 2 104 . 10 ASN C C 175.3 0.2 1 105 . 10 ASN CA C 54.4 0.2 1 106 . 10 ASN CB C 37.4 0.2 1 107 . 10 ASN N N 122.0 0.2 1 108 . 10 ASN ND2 N 112.9 0.2 1 109 . 11 SER H H 8.70 0.02 1 110 . 11 SER HA H 4.39 0.02 1 111 . 11 SER HB2 H 4.06 0.02 1 112 . 11 SER HB3 H 4.06 0.02 1 113 . 11 SER C C 174.8 0.2 1 114 . 11 SER CA C 59.8 0.2 1 115 . 11 SER CB C 63.2 0.2 1 116 . 11 SER N N 113.4 0.2 1 117 . 12 SER H H 8.39 0.02 1 118 . 12 SER HA H 4.63 0.02 1 119 . 12 SER HB2 H 3.99 0.02 1 120 . 12 SER HB3 H 3.99 0.02 1 121 . 12 SER C C 173.6 0.2 1 122 . 12 SER CA C 59.2 0.2 1 123 . 12 SER CB C 64.7 0.2 1 124 . 12 SER N N 115.8 0.2 1 125 . 13 TYR H H 8.03 0.02 1 126 . 13 TYR HA H 4.89 0.02 1 127 . 13 TYR HB2 H 3.18 0.02 1 128 . 13 TYR HB3 H 3.18 0.02 1 129 . 13 TYR HD1 H 7.25 0.02 1 130 . 13 TYR HD2 H 7.25 0.02 1 131 . 13 TYR HE1 H 6.84 0.02 1 132 . 13 TYR HE2 H 6.84 0.02 1 133 . 13 TYR C C 175.1 0.2 1 134 . 13 TYR CA C 58.1 0.2 1 135 . 13 TYR CB C 40.1 0.2 1 136 . 13 TYR CD1 C 132.8 0.2 1 137 . 13 TYR CD2 C 132.8 0.2 1 138 . 13 TYR CE1 C 117.9 0.2 1 139 . 13 TYR CE2 C 117.9 0.2 1 140 . 13 TYR N N 121.2 0.2 1 141 . 14 GLY H H 8.29 0.02 1 142 . 14 GLY HA2 H 4.49 0.02 2 143 . 14 GLY HA3 H 3.83 0.02 2 144 . 14 GLY C C 172.1 0.2 1 145 . 14 GLY CA C 45.6 0.2 1 146 . 14 GLY N N 112.4 0.2 1 147 . 15 PHE H H 7.99 0.02 1 148 . 15 PHE HA H 5.11 0.02 1 149 . 15 PHE HB2 H 3.25 0.02 2 150 . 15 PHE HB3 H 3.09 0.02 2 151 . 15 PHE HD1 H 6.92 0.02 1 152 . 15 PHE HD2 H 6.92 0.02 1 153 . 15 PHE HE1 H 7.10 0.02 1 154 . 15 PHE HE2 H 7.10 0.02 1 155 . 15 PHE CA C 54.2 0.2 1 156 . 15 PHE CB C 38.4 0.2 1 157 . 15 PHE CD1 C 133.4 0.2 1 158 . 15 PHE CD2 C 133.4 0.2 1 159 . 15 PHE CE1 C 129.1 0.2 1 160 . 15 PHE CE2 C 129.1 0.2 1 161 . 15 PHE N N 118.3 0.2 1 162 . 16 PRO HA H 5.03 0.02 1 163 . 16 PRO HB2 H 2.04 0.02 2 164 . 16 PRO HB3 H 1.85 0.02 2 165 . 16 PRO HG2 H 2.26 0.02 2 166 . 16 PRO HG3 H 2.21 0.02 2 167 . 16 PRO HD2 H 4.02 0.02 2 168 . 16 PRO HD3 H 3.91 0.02 2 169 . 16 PRO C C 177.0 0.2 1 170 . 16 PRO CA C 61.6 0.2 1 171 . 16 PRO CB C 32.7 0.2 1 172 . 16 PRO CG C 27.2 0.2 1 173 . 16 PRO CD C 50.6 0.2 1 174 . 17 VAL H H 9.09 0.02 1 175 . 17 VAL HA H 4.31 0.02 1 176 . 17 VAL HB H 1.81 0.02 1 177 . 17 VAL HG1 H 0.88 0.02 1 178 . 17 VAL HG2 H 0.88 0.02 1 179 . 17 VAL C C 173.6 0.2 1 180 . 17 VAL CA C 61.2 0.2 1 181 . 17 VAL CB C 35.4 0.2 1 182 . 17 VAL CG1 C 21.8 0.2 1 183 . 17 VAL CG2 C 21.8 0.2 1 184 . 17 VAL N N 119.7 0.2 1 185 . 18 GLU H H 8.36 0.02 1 186 . 18 GLU HA H 5.00 0.02 1 187 . 18 GLU HB2 H 1.79 0.02 1 188 . 18 GLU HB3 H 1.79 0.02 1 189 . 18 GLU HG2 H 2.10 0.02 1 190 . 18 GLU HG3 H 2.10 0.02 1 191 . 18 GLU C C 175.8 0.2 1 192 . 18 GLU CA C 55.3 0.2 1 193 . 18 GLU CB C 30.3 0.2 1 194 . 18 GLU CG C 36.0 0.2 1 195 . 18 GLU N N 126.0 0.2 1 196 . 19 VAL H H 8.96 0.02 1 197 . 19 VAL HA H 4.77 0.02 1 198 . 19 VAL HB H 2.29 0.02 1 199 . 19 VAL HG1 H 0.84 0.02 2 200 . 19 VAL HG2 H 0.70 0.02 2 201 . 19 VAL C C 173.6 0.2 1 202 . 19 VAL CA C 58.8 0.2 1 203 . 19 VAL CB C 35.2 0.2 1 204 . 19 VAL CG1 C 22.4 0.2 2 205 . 19 VAL CG2 C 19.1 0.2 2 206 . 19 VAL N N 118.5 0.2 1 207 . 20 ASP H H 8.61 0.02 1 208 . 20 ASP HA H 5.08 0.02 1 209 . 20 ASP HB2 H 2.91 0.02 2 210 . 20 ASP HB3 H 2.71 0.02 2 211 . 20 ASP C C 177.0 0.2 1 212 . 20 ASP CA C 52.8 0.2 1 213 . 20 ASP CB C 43.5 0.2 1 214 . 20 ASP N N 119.7 0.2 1 215 . 21 SER H H 8.78 0.02 1 216 . 21 SER HA H 4.11 0.02 1 217 . 21 SER HB2 H 3.87 0.02 1 218 . 21 SER HB3 H 3.87 0.02 1 219 . 21 SER C C 173.6 0.2 1 220 . 21 SER CA C 60.4 0.2 1 221 . 21 SER CB C 63.1 0.2 1 222 . 21 SER N N 115.4 0.2 1 223 . 22 ASP H H 7.98 0.02 1 224 . 22 ASP HA H 4.67 0.02 1 225 . 22 ASP HB2 H 2.80 0.02 1 226 . 22 ASP HB3 H 2.80 0.02 1 227 . 22 ASP C C 175.8 0.2 1 228 . 22 ASP CA C 53.0 0.2 1 229 . 22 ASP CB C 40.3 0.2 1 230 . 22 ASP N N 114.4 0.2 1 231 . 23 THR H H 7.69 0.02 1 232 . 23 THR HA H 4.15 0.02 1 233 . 23 THR HB H 4.15 0.02 1 234 . 23 THR HG2 H 1.40 0.02 1 235 . 23 THR C C 173.8 0.2 1 236 . 23 THR CA C 64.1 0.2 1 237 . 23 THR CB C 69.6 0.2 1 238 . 23 THR CG2 C 21.8 0.2 1 239 . 23 THR N N 120.1 0.2 1 240 . 24 SER H H 8.92 0.02 1 241 . 24 SER HA H 5.08 0.02 1 242 . 24 SER HB2 H 4.44 0.02 2 243 . 24 SER HB3 H 4.04 0.02 2 244 . 24 SER C C 175.3 0.2 1 245 . 24 SER CA C 56.5 0.2 1 246 . 24 SER CB C 65.7 0.2 1 247 . 24 SER N N 123.1 0.2 1 248 . 25 ILE H H 8.64 0.02 1 249 . 25 ILE HA H 3.79 0.02 1 250 . 25 ILE HB H 2.53 0.02 1 251 . 25 ILE HG12 H 1.59 0.02 2 252 . 25 ILE HG13 H 1.24 0.02 2 253 . 25 ILE HG2 H 0.83 0.02 1 254 . 25 ILE HD1 H 0.53 0.02 1 255 . 25 ILE C C 178.8 0.2 1 256 . 25 ILE CA C 61.5 0.2 1 257 . 25 ILE CB C 33.7 0.2 1 258 . 25 ILE CG1 C 27.0 0.2 1 259 . 25 ILE CG2 C 17.3 0.2 1 260 . 25 ILE CD1 C 7.72 0.2 1 261 . 25 ILE N N 122.1 0.2 1 262 . 26 LEU H H 8.22 0.02 1 263 . 26 LEU HA H 3.99 0.02 1 264 . 26 LEU HB2 H 1.80 0.02 2 265 . 26 LEU HB3 H 1.33 0.02 2 266 . 26 LEU HG H 1.57 0.02 1 267 . 26 LEU HD1 H 0.92 0.02 1 268 . 26 LEU HD2 H 0.92 0.02 1 269 . 26 LEU C C 177.9 0.2 1 270 . 26 LEU CA C 58.9 0.2 1 271 . 26 LEU CB C 42.0 0.2 1 272 . 26 LEU CG C 25.8 0.2 1 273 . 26 LEU CD1 C 22.7 0.2 1 274 . 26 LEU CD2 C 22.7 0.2 1 275 . 26 LEU N N 121.0 0.2 1 276 . 27 GLN H H 7.96 0.02 1 277 . 27 GLN HA H 4.03 0.02 1 278 . 27 GLN HB2 H 2.56 0.02 2 279 . 27 GLN HB3 H 2.04 0.02 2 280 . 27 GLN HG2 H 2.47 0.02 1 281 . 27 GLN HG3 H 2.47 0.02 1 282 . 27 GLN HE21 H 7.57 0.02 2 283 . 27 GLN HE22 H 6.94 0.02 2 284 . 27 GLN C C 179.3 0.2 1 285 . 27 GLN CA C 59.1 0.2 1 286 . 27 GLN CB C 28.3 0.2 1 287 . 27 GLN CG C 35.0 0.2 1 288 . 27 GLN N N 118.6 0.2 1 289 . 27 GLN NE2 N 111.3 0.2 1 290 . 28 LEU H H 8.19 0.02 1 291 . 28 LEU HA H 4.03 0.02 1 292 . 28 LEU HB2 H 2.22 0.02 2 293 . 28 LEU HB3 H 1.33 0.02 2 294 . 28 LEU HG H 1.45 0.02 1 295 . 28 LEU HD1 H 0.72 0.02 1 296 . 28 LEU HD2 H 0.72 0.02 1 297 . 28 LEU C C 178.3 0.2 1 298 . 28 LEU CA C 58.6 0.2 1 299 . 28 LEU CB C 41.6 0.2 1 300 . 28 LEU CD1 C 24.9 0.2 1 301 . 28 LEU CD2 C 24.9 0.2 1 302 . 28 LEU N N 121.7 0.2 1 303 . 29 LYS H H 8.64 0.02 1 304 . 29 LYS HA H 3.65 0.02 1 305 . 29 LYS HB2 H 2.36 0.02 2 306 . 29 LYS HB3 H 1.81 0.02 2 307 . 29 LYS HG2 H 1.77 0.02 2 308 . 29 LYS HG3 H 1.00 0.02 2 309 . 29 LYS HD2 H 1.91 0.02 2 310 . 29 LYS HD3 H 1.78 0.02 2 311 . 29 LYS HE2 H 2.80 0.02 1 312 . 29 LYS HE3 H 2.80 0.02 1 313 . 29 LYS C C 178.3 0.2 1 314 . 29 LYS CA C 61.0 0.2 1 315 . 29 LYS CB C 33.2 0.2 1 316 . 29 LYS CG C 27.7 0.2 1 317 . 29 LYS CD C 30.2 0.2 1 318 . 29 LYS CE C 43.9 0.2 1 319 . 29 LYS N N 117.8 0.2 1 320 . 30 GLU H H 8.46 0.02 1 321 . 30 GLU HA H 4.04 0.02 1 322 . 30 GLU HB2 H 2.56 0.02 2 323 . 30 GLU HB3 H 2.04 0.02 2 324 . 30 GLU HG2 H 2.51 0.02 2 325 . 30 GLU HG3 H 2.22 0.02 2 326 . 30 GLU C C 179.5 0.2 1 327 . 30 GLU CA C 59.7 0.2 1 328 . 30 GLU CB C 29.1 0.2 1 329 . 30 GLU CG C 35.8 0.2 1 330 . 30 GLU N N 118.2 0.2 1 331 . 31 VAL H H 8.01 0.02 1 332 . 31 VAL HA H 3.80 0.02 1 333 . 31 VAL HB H 2.39 0.02 1 334 . 31 VAL HG1 H 1.19 0.02 2 335 . 31 VAL HG2 H 1.05 0.02 2 336 . 31 VAL C C 179.3 0.2 1 337 . 31 VAL CA C 66.6 0.2 1 338 . 31 VAL CB C 32.0 0.2 1 339 . 31 VAL CG1 C 21.1 0.2 1 340 . 31 VAL CG2 C 21.1 0.2 1 341 . 31 VAL N N 120.7 0.2 1 342 . 32 VAL H H 7.90 0.02 1 343 . 32 VAL HA H 3.52 0.02 1 344 . 32 VAL HB H 2.15 0.02 1 345 . 32 VAL HG1 H 1.15 0.02 2 346 . 32 VAL HG2 H 1.01 0.02 2 347 . 32 VAL C C 176.8 0.2 1 348 . 32 VAL CA C 67.0 0.2 1 349 . 32 VAL CB C 31.5 0.2 1 350 . 32 VAL CG1 C 23.7 0.2 2 351 . 32 VAL CG2 C 22.2 0.2 2 352 . 32 VAL N N 121.0 0.2 1 353 . 33 ALA H H 9.26 0.02 1 354 . 33 ALA HA H 3.99 0.02 1 355 . 33 ALA HB H 1.68 0.02 1 356 . 33 ALA C C 180.5 0.2 1 357 . 33 ALA CA C 55.7 0.2 1 358 . 33 ALA CB C 19.0 0.2 1 359 . 33 ALA N N 123.9 0.2 1 360 . 34 LYS H H 7.75 0.02 1 361 . 34 LYS HA H 4.07 0.02 1 362 . 34 LYS HB2 H 1.95 0.02 1 363 . 34 LYS HB3 H 1.95 0.02 1 364 . 34 LYS HG2 H 1.61 0.02 2 365 . 34 LYS HG3 H 1.50 0.02 2 366 . 34 LYS HD2 H 1.72 0.02 1 367 . 34 LYS HD3 H 1.72 0.02 1 368 . 34 LYS HE2 H 3.02 0.02 1 369 . 34 LYS HE3 H 3.02 0.02 1 370 . 34 LYS C C 179.0 0.2 1 371 . 34 LYS CA C 58.6 0.2 1 372 . 34 LYS CB C 32.6 0.2 1 373 . 34 LYS CG C 25.2 0.2 1 374 . 34 LYS CD C 29.2 0.2 1 375 . 34 LYS CE C 42.5 0.2 1 376 . 34 LYS N N 116.8 0.2 1 377 . 35 ARG H H 7.52 0.02 1 378 . 35 ARG HA H 4.00 0.02 1 379 . 35 ARG HB2 H 1.79 0.02 2 380 . 35 ARG HB3 H 1.73 0.02 2 381 . 35 ARG HG2 H 1.46 0.02 2 382 . 35 ARG HG3 H 1.39 0.02 2 383 . 35 ARG HD2 H 2.67 0.02 2 384 . 35 ARG HD3 H 2.42 0.02 2 385 . 35 ARG C C 177.8 0.2 1 386 . 35 ARG CA C 58.4 0.2 1 387 . 35 ARG CB C 30.4 0.2 1 388 . 35 ARG CG C 27.0 0.2 1 389 . 35 ARG CD C 43.0 0.2 1 390 . 35 ARG N N 118.7 0.2 1 391 . 36 GLN H H 8.25 0.02 1 392 . 36 GLN HA H 4.16 0.02 1 393 . 36 GLN HB2 H 1.95 0.02 2 394 . 36 GLN HB3 H 1.62 0.02 2 395 . 36 GLN HG2 H 1.97 0.02 2 396 . 36 GLN HG3 H 1.37 0.02 2 397 . 36 GLN C C 176.3 0.2 1 398 . 36 GLN CA C 54.6 0.2 1 399 . 36 GLN CB C 30.3 0.2 1 400 . 36 GLN CG C 34.1 0.2 . 401 . 36 GLN N N 112.9 0.2 1 402 . 37 GLY H H 8.08 0.02 1 403 . 37 GLY HA2 H 3.96 0.02 1 404 . 37 GLY HA3 H 3.96 0.02 1 405 . 37 GLY C C 174.3 0.2 1 406 . 37 GLY CA C 46.8 0.2 1 407 . 37 GLY N N 109.8 0.2 1 408 . 38 VAL H H 7.53 0.02 1 409 . 38 VAL HA H 4.84 0.02 1 410 . 38 VAL HB H 2.02 0.02 1 411 . 38 VAL HG1 H 0.96 0.02 2 412 . 38 VAL HG2 H 0.81 0.02 2 413 . 38 VAL CA C 58.0 0.2 1 414 . 38 VAL CB C 34.3 0.2 1 415 . 38 VAL N N 115.0 0.2 1 416 . 39 PRO HA H 4.42 0.02 1 417 . 39 PRO HB2 H 2.42 0.02 1 418 . 39 PRO HB3 H 2.42 0.02 1 419 . 39 PRO HG2 H 2.09 0.02 2 420 . 39 PRO HG3 H 1.97 0.02 2 421 . 39 PRO HD2 H 3.86 0.02 2 422 . 39 PRO HD3 H 3.45 0.02 2 423 . 39 PRO C C 178.3 0.2 1 424 . 39 PRO CA C 62.6 0.2 1 425 . 39 PRO CB C 32.5 0.2 1 426 . 39 PRO CG C 28.3 0.2 1 427 . 39 PRO CD C 51.3 0.2 1 428 . 40 ALA H H 8.89 0.02 1 429 . 40 ALA HA H 3.80 0.02 1 430 . 40 ALA HB H 1.36 0.02 1 431 . 40 ALA C C 179.3 0.2 1 432 . 40 ALA CA C 55.3 0.2 1 433 . 40 ALA CB C 18.3 0.2 1 434 . 40 ALA N N 125.5 0.2 1 435 . 41 ASP H H 8.40 0.02 1 436 . 41 ASP HA H 4.48 0.02 1 437 . 41 ASP HB2 H 2.87 0.02 2 438 . 41 ASP HB3 H 2.69 0.02 2 439 . 41 ASP C C 177.3 0.2 1 440 . 41 ASP CA C 55.4 0.2 1 441 . 41 ASP CB C 39.7 0.2 1 442 . 41 ASP N N 113.1 0.2 1 443 . 42 GLN H H 7.72 0.02 1 444 . 42 GLN HA H 4.41 0.02 1 445 . 42 GLN HB2 H 2.62 0.02 2 446 . 42 GLN HB3 H 1.98 0.02 2 447 . 42 GLN HG2 H 2.43 0.02 1 448 . 42 GLN HG3 H 2.43 0.02 1 449 . 42 GLN HE21 H 7.62 0.02 2 450 . 42 GLN HE22 H 6.91 0.02 2 451 . 42 GLN C C 174.8 0.2 1 452 . 42 GLN CA C 55.3 0.2 1 453 . 42 GLN CB C 29.4 0.2 1 454 . 42 GLN CG C 34.2 0.2 1 455 . 42 GLN N N 116.9 0.2 1 456 . 42 GLN NE2 N 109.2 0.2 1 457 . 43 LEU H H 7.55 0.02 1 458 . 43 LEU HA H 5.06 0.02 1 459 . 43 LEU HB2 H 2.01 0.02 1 460 . 43 LEU HB3 H 2.01 0.02 1 461 . 43 LEU HG H 1.10 0.02 1 462 . 43 LEU HD1 H 0.86 0.02 2 463 . 43 LEU HD2 H 0.76 0.02 2 464 . 43 LEU C C 176.3 0.2 1 465 . 43 LEU CA C 54.0 0.2 1 466 . 43 LEU CB C 43.4 0.2 1 467 . 43 LEU CG C 26.3 0.2 1 468 . 43 LEU CD1 C 22.7 0.2 1 469 . 43 LEU CD2 C 22.7 0.2 1 470 . 43 LEU N N 117.4 0.2 1 471 . 44 ARG H H 8.81 0.02 1 472 . 44 ARG HA H 4.53 0.02 1 473 . 44 ARG HB2 H 1.60 0.02 1 474 . 44 ARG HB3 H 1.60 0.02 1 475 . 44 ARG HG2 H 1.52 0.02 1 476 . 44 ARG HG3 H 1.52 0.02 1 477 . 44 ARG HD2 H 3.15 0.02 2 478 . 44 ARG HD3 H 3.05 0.02 2 479 . 44 ARG C C 174.6 0.2 1 480 . 44 ARG CA C 54.2 0.2 1 481 . 44 ARG CB C 33.1 0.2 1 482 . 44 ARG CG C 27.1 0.2 1 483 . 44 ARG N N 120.1 0.2 1 484 . 45 VAL H H 8.75 0.02 1 485 . 45 VAL HA H 4.58 0.02 1 486 . 45 VAL HB H 2.04 0.02 1 487 . 45 VAL HG1 H 0.84 0.02 1 488 . 45 VAL HG2 H 0.84 0.02 1 489 . 45 VAL C C 173.6 0.2 1 490 . 45 VAL CA C 61.5 0.2 1 491 . 45 VAL CB C 32.6 0.2 1 492 . 45 VAL CG1 C 22.0 0.2 1 493 . 45 VAL CG2 C 22.0 0.2 1 494 . 45 VAL N N 122.7 0.2 1 495 . 46 ILE H H 9.46 0.02 1 496 . 46 ILE HA H 4.91 0.02 1 497 . 46 ILE HB H 1.88 0.02 1 498 . 46 ILE HG12 H 1.32 0.02 2 499 . 46 ILE HG13 H 1.08 0.02 2 500 . 46 ILE HG2 H 0.72 0.02 1 501 . 46 ILE HD1 H 0.66 0.02 1 502 . 46 ILE C C 175.3 0.2 1 503 . 46 ILE CA C 59.3 0.2 1 504 . 46 ILE CB C 39.6 0.2 1 505 . 46 ILE CG1 C 27.7 0.2 1 506 . 46 ILE CG2 C 17.6 0.2 1 507 . 46 ILE CD1 C 12.3 0.2 1 508 . 46 ILE N N 128.7 0.2 1 509 . 47 PHE H H 9.26 0.02 1 510 . 47 PHE HA H 5.20 0.02 1 511 . 47 PHE HB2 H 3.07 0.02 2 512 . 47 PHE HB3 H 2.89 0.02 2 513 . 47 PHE HD1 H 7.44 0.02 1 514 . 47 PHE HD2 H 7.44 0.02 1 515 . 47 PHE C C 174.3 0.2 1 516 . 47 PHE CA C 56.1 0.2 1 517 . 47 PHE CB C 43.3 0.2 1 518 . 47 PHE CD1 C 131.6 0.2 1 519 . 47 PHE CD2 C 131.6 0.2 1 520 . 47 PHE N N 127.4 0.2 1 521 . 48 ALA H H 8.95 0.02 1 522 . 48 ALA HA H 3.74 0.02 1 523 . 48 ALA HB H 0.87 0.02 1 524 . 48 ALA C C 177.0 0.2 1 525 . 48 ALA CA C 52.5 0.2 1 526 . 48 ALA CB C 16.4 0.2 1 527 . 48 ALA N N 132.8 0.2 1 528 . 49 GLY H H 8.27 0.02 1 529 . 49 GLY HA2 H 4.10 0.02 2 530 . 49 GLY HA3 H 3.47 0.02 2 531 . 49 GLY C C 173.6 0.2 1 532 . 49 GLY CA C 45.3 0.2 1 533 . 49 GLY N N 102.3 0.2 1 534 . 50 LYS H H 7.88 0.02 1 535 . 50 LYS HA H 4.68 0.02 1 536 . 50 LYS HB2 H 1.87 0.02 1 537 . 50 LYS HB3 H 1.87 0.02 1 538 . 50 LYS HG2 H 1.46 0.02 1 539 . 50 LYS HG3 H 1.46 0.02 1 540 . 50 LYS HD2 H 1.75 0.02 1 541 . 50 LYS HD3 H 1.75 0.02 1 542 . 50 LYS HE2 H 3.07 0.02 1 543 . 50 LYS HE3 H 3.07 0.02 1 544 . 50 LYS C C 174.3 0.2 1 545 . 50 LYS CA C 54.5 0.2 1 546 . 50 LYS CB C 35.2 0.2 1 547 . 50 LYS CG C 24.4 0.2 1 548 . 50 LYS CD C 29.1 0.2 1 549 . 50 LYS CE C 42.5 0.2 1 550 . 50 LYS N N 121.3 0.2 1 551 . 51 GLU H H 8.68 0.02 1 552 . 51 GLU HA H 4.92 0.02 1 553 . 51 GLU HB2 H 1.84 0.02 1 554 . 51 GLU HB3 H 1.84 0.02 1 555 . 51 GLU HG2 H 2.37 0.02 2 556 . 51 GLU HG3 H 2.11 0.02 2 557 . 51 GLU C C 176.8 0.2 1 558 . 51 GLU CA C 55.6 0.2 1 559 . 51 GLU CB C 29.2 0.2 1 560 . 51 GLU CG C 36.5 0.2 1 561 . 51 GLU N N 123.2 0.2 1 562 . 52 LEU H H 8.98 0.02 1 563 . 52 LEU HA H 4.91 0.02 1 564 . 52 LEU HB2 H 1.77 0.02 2 565 . 52 LEU HB3 H 1.45 0.02 2 566 . 52 LEU HG H 1.91 0.02 1 567 . 52 LEU HD1 H 1.04 0.02 2 568 . 52 LEU HD2 H 0.95 0.02 2 569 . 52 LEU CA C 51.1 0.2 1 570 . 52 LEU CB C 42.0 0.2 1 571 . 52 LEU CG C 26.6 0.2 1 572 . 52 LEU CD1 C 22.4 0.2 1 573 . 52 LEU CD2 C 22.4 0.2 1 574 . 52 LEU N N 128.8 0.2 1 575 . 53 PRO HA H 4.65 0.02 1 576 . 53 PRO HB2 H 2.41 0.02 2 577 . 53 PRO HB3 H 2.02 0.02 2 578 . 53 PRO HG2 H 2.14 0.02 2 579 . 53 PRO HG3 H 1.80 0.02 2 580 . 53 PRO HD2 H 4.08 0.02 2 581 . 53 PRO HD3 H 3.65 0.02 2 582 . 53 PRO C C 176.8 0.2 1 583 . 53 PRO CA C 61.9 0.2 1 584 . 53 PRO CB C 32.9 0.2 1 585 . 53 PRO CG C 27.3 0.2 1 586 . 53 PRO CD C 51.2 0.2 1 587 . 54 ASN H H 8.27 0.02 1 588 . 54 ASN HA H 4.32 0.02 1 589 . 54 ASN HB2 H 2.96 0.02 2 590 . 54 ASN HB3 H 2.73 0.02 2 591 . 54 ASN HD21 H 7.82 0.02 2 592 . 54 ASN HD22 H 7.22 0.02 2 593 . 54 ASN C C 176.5 0.2 1 594 . 54 ASN CA C 55.4 0.2 1 595 . 54 ASN CB C 39.8 0.2 1 596 . 54 ASN N N 114.8 0.2 1 597 . 54 ASN ND2 N 110.4 0.2 1 598 . 55 HIS H H 7.89 0.02 1 599 . 55 HIS HA H 4.69 0.02 1 600 . 55 HIS HB2 H 3.41 0.02 2 601 . 55 HIS HB3 H 3.08 0.02 2 602 . 55 HIS HD2 H 7.12 0.02 1 603 . 55 HIS HE1 H 8.09 0.02 1 604 . 55 HIS C C 175.8 0.2 1 605 . 55 HIS CA C 56.5 0.2 1 606 . 55 HIS CB C 30.0 0.2 1 607 . 55 HIS CD2 C 118.5 0.2 1 608 . 55 HIS CE1 C 138.1 0.2 1 609 . 55 HIS N N 110.6 0.2 1 610 . 56 LEU H H 6.82 0.02 1 611 . 56 LEU HA H 4.47 0.02 1 612 . 56 LEU HB2 H 1.49 0.02 1 613 . 56 LEU HB3 H 1.49 0.02 1 614 . 56 LEU HG H 1.14 0.02 1 615 . 56 LEU HD1 H 0.90 0.02 2 616 . 56 LEU HD2 H 0.83 0.02 2 617 . 56 LEU C C 175.8 0.2 1 618 . 56 LEU CA C 54.1 0.2 1 619 . 56 LEU CB C 43.3 0.2 1 620 . 56 LEU CG C 26.3 0.2 1 621 . 56 LEU CD1 C 22.9 0.2 1 622 . 56 LEU CD2 C 22.9 0.2 1 623 . 56 LEU N N 121.5 0.2 1 624 . 57 THR H H 8.12 0.02 1 625 . 57 THR HA H 5.04 0.02 1 626 . 57 THR HB H 4.55 0.02 1 627 . 57 THR HG2 H 1.17 0.02 1 628 . 57 THR C C 176.8 0.2 1 629 . 57 THR CA C 59.5 0.2 1 630 . 57 THR CB C 71.7 0.2 1 631 . 57 THR CG2 C 22.0 0.2 1 632 . 57 THR N N 108.1 0.2 1 633 . 58 VAL H H 8.54 0.02 1 634 . 58 VAL HA H 3.46 0.02 1 635 . 58 VAL HB H 2.23 0.02 1 636 . 58 VAL HG1 H 0.92 0.02 2 637 . 58 VAL HG2 H 0.74 0.02 2 638 . 58 VAL C C 178.0 0.2 1 639 . 58 VAL CA C 66.7 0.2 1 640 . 58 VAL CB C 31.7 0.2 1 641 . 58 VAL CG1 C 21.6 0.2 2 642 . 58 VAL CG2 C 19.0 0.2 2 643 . 58 VAL N N 120.0 0.2 1 644 . 59 GLN H H 8.32 0.02 1 645 . 59 GLN HA H 4.26 0.02 1 646 . 59 GLN HB2 H 2.23 0.02 2 647 . 59 GLN HB3 H 1.98 0.02 2 648 . 59 GLN HG2 H 2.36 0.02 1 649 . 59 GLN HG3 H 2.36 0.02 1 650 . 59 GLN C C 178.5 0.2 1 651 . 59 GLN CA C 58.4 0.2 1 652 . 59 GLN CB C 28.9 0.2 1 653 . 59 GLN CG C 33.3 0.2 1 654 . 59 GLN N N 117.7 0.2 1 655 . 60 ASN H H 7.98 0.02 1 656 . 60 ASN HA H 4.77 0.02 1 657 . 60 ASN HB2 H 3.08 0.02 1 658 . 60 ASN HB3 H 3.08 0.02 1 659 . 60 ASN HD21 H 7.75 0.02 2 660 . 60 ASN HD22 H 7.10 0.02 2 661 . 60 ASN C C 176.0 0.2 1 662 . 60 ASN CA C 54.8 0.2 1 663 . 60 ASN CB C 39.7 0.2 1 664 . 60 ASN N N 117.8 0.2 1 665 . 60 ASN ND2 N 110.5 0.2 1 666 . 61 CYS H H 7.63 0.02 1 667 . 61 CYS HA H 4.46 0.02 1 668 . 61 CYS HB2 H 2.87 0.02 2 669 . 61 CYS HB3 H 2.82 0.02 2 670 . 61 CYS C C 173.1 0.2 1 671 . 61 CYS CA C 59.9 0.2 1 672 . 61 CYS CB C 28.5 0.2 1 673 . 61 CYS N N 115.3 0.2 1 674 . 62 ASP H H 8.00 0.02 1 675 . 62 ASP HA H 4.43 0.02 1 676 . 62 ASP HB2 H 3.12 0.02 2 677 . 62 ASP HB3 H 2.86 0.02 2 678 . 62 ASP C C 174.6 0.2 1 679 . 62 ASP CA C 55.4 0.2 1 680 . 62 ASP CB C 38.5 0.2 1 681 . 62 ASP N N 115.2 0.2 1 682 . 63 LEU H H 7.07 0.02 1 683 . 63 LEU HA H 3.90 0.02 1 684 . 63 LEU HB2 H 1.42 0.02 2 685 . 63 LEU HB3 H 0.96 0.02 2 686 . 63 LEU HG H 1.06 0.02 1 687 . 63 LEU HD1 H 0.43 0.02 2 688 . 63 LEU HD2 H -0.12 0.02 2 689 . 63 LEU C C 175.6 0.2 1 690 . 63 LEU CA C 55.3 0.2 1 691 . 63 LEU CB C 42.3 0.2 1 692 . 63 LEU CG C 27.6 0.2 1 693 . 63 LEU CD1 C 25.3 0.2 2 694 . 63 LEU CD2 C 22.9 0.2 2 695 . 63 LEU N N 116.9 0.2 1 696 . 64 GLU H H 8.25 0.02 1 697 . 64 GLU HA H 4.53 0.02 1 698 . 64 GLU HB2 H 2.13 0.02 2 699 . 64 GLU HB3 H 1.90 0.02 2 700 . 64 GLU HG2 H 2.27 0.02 1 701 . 64 GLU HG3 H 2.27 0.02 1 702 . 64 GLU C C 175.3 0.2 1 703 . 64 GLU CA C 54.2 0.2 1 704 . 64 GLU CB C 32.6 0.2 1 705 . 64 GLU CG C 35.3 0.2 1 706 . 64 GLU N N 119.2 0.2 1 707 . 65 GLN H H 8.38 0.02 1 708 . 65 GLN HA H 4.26 0.02 1 709 . 65 GLN HB2 H 2.11 0.02 1 710 . 65 GLN HB3 H 2.11 0.02 1 711 . 65 GLN HG2 H 2.59 0.02 2 712 . 65 GLN HG3 H 2.54 0.02 2 713 . 65 GLN HE21 H 7.71 0.02 2 714 . 65 GLN HE22 H 6.95 0.02 2 715 . 65 GLN C C 177.5 0.2 1 716 . 65 GLN CA C 57.8 0.2 1 717 . 65 GLN CB C 28.1 0.2 1 718 . 65 GLN CG C 32.7 0.2 1 719 . 65 GLN N N 119.0 0.2 1 720 . 65 GLN NE2 N 111.2 0.2 1 721 . 66 GLN H H 9.31 0.02 1 722 . 66 GLN HA H 3.69 0.02 1 723 . 66 GLN HB2 H 2.41 0.02 1 724 . 66 GLN HB3 H 2.41 0.02 1 725 . 66 GLN HG2 H 2.26 0.02 1 726 . 66 GLN HG3 H 2.26 0.02 1 727 . 66 GLN CA C 57.7 0.2 1 728 . 66 GLN CB C 26.4 0.2 1 729 . 66 GLN CG C 34.5 0.2 1 730 . 66 GLN N N 116.7 0.2 1 731 . 67 SER H H 8.38 0.02 1 732 . 67 SER HA H 4.46 0.02 1 733 . 67 SER HB2 H 3.91 0.02 2 734 . 67 SER HB3 H 3.75 0.02 2 735 . 67 SER C C 172.1 0.2 1 736 . 67 SER CA C 61.4 0.2 1 737 . 67 SER CB C 64.7 0.2 1 738 . 67 SER N N 117.3 0.2 1 739 . 68 ILE H H 8.50 0.02 1 740 . 68 ILE HA H 5.00 0.02 1 741 . 68 ILE HB H 1.84 0.02 1 742 . 68 ILE HG12 H 1.08 0.02 1 743 . 68 ILE HG13 H 1.08 0.02 1 744 . 68 ILE HG2 H 0.70 0.02 1 745 . 68 ILE HD1 H 0.88 0.02 1 746 . 68 ILE C C 176.1 0.2 1 747 . 68 ILE CA C 60.3 0.2 1 748 . 68 ILE CB C 39.6 0.2 1 749 . 68 ILE CG1 C 27.9 0.2 1 750 . 68 ILE CG2 C 17.7 0.2 1 751 . 68 ILE CD1 C 13.7 0.2 1 752 . 68 ILE N N 122.2 0.2 1 753 . 69 VAL H H 8.99 0.02 1 754 . 69 VAL HA H 4.82 0.02 1 755 . 69 VAL HB H 1.94 0.02 1 756 . 69 VAL HG1 H 0.71 0.02 2 757 . 69 VAL HG2 H 0.63 0.02 2 758 . 69 VAL C C 174.1 0.2 1 759 . 69 VAL CA C 59.6 0.2 1 760 . 69 VAL CB C 33.9 0.2 1 761 . 69 VAL CG1 C 22.3 0.2 2 762 . 69 VAL CG2 C 20.4 0.2 2 763 . 69 VAL N N 122.4 0.2 1 764 . 70 HIS H H 9.02 0.02 1 765 . 70 HIS HA H 5.30 0.02 1 766 . 70 HIS HB2 H 3.13 0.02 1 767 . 70 HIS HB3 H 3.13 0.02 1 768 . 70 HIS HD2 H 7.19 0.02 1 769 . 70 HIS HE1 H 8.24 0.02 1 770 . 70 HIS C C 174.1 0.2 1 771 . 70 HIS CA C 54.1 0.2 1 772 . 70 HIS CB C 31.2 0.2 1 773 . 70 HIS CD2 C 118.8 0.2 1 774 . 70 HIS CE1 C 136.6 0.2 1 775 . 70 HIS N N 123.6 0.2 1 776 . 71 ILE H H 8.68 0.02 1 777 . 71 ILE HA H 5.30 0.02 1 778 . 71 ILE HB H 1.61 0.02 1 779 . 71 ILE HG12 H 1.41 0.02 2 780 . 71 ILE HG13 H 1.24 0.02 2 781 . 71 ILE HG2 H 0.86 0.02 1 782 . 71 ILE HD1 H 0.74 0.02 1 783 . 71 ILE C C 174.6 0.2 1 784 . 71 ILE CA C 59.1 0.2 1 785 . 71 ILE CB C 38.2 0.2 1 786 . 71 ILE CG1 C 27.9 0.2 1 787 . 71 ILE CG2 C 19.0 0.2 1 788 . 71 ILE CD1 C 12.6 0.2 1 789 . 71 ILE N N 123.6 0.2 1 790 . 72 VAL H H 8.55 0.02 1 791 . 72 VAL HA H 4.60 0.02 1 792 . 72 VAL HB H 1.92 0.02 1 793 . 72 VAL HG1 H 0.83 0.02 2 794 . 72 VAL HG2 H 0.77 0.02 2 795 . 72 VAL C C 174.6 0.2 1 796 . 72 VAL CA C 59.3 0.2 1 797 . 72 VAL CB C 35.2 0.2 1 798 . 72 VAL CG1 C 20.9 0.2 2 799 . 72 VAL CG2 C 19.8 0.2 2 800 . 72 VAL N N 123.1 0.2 1 801 . 73 GLN H H 8.61 0.02 1 802 . 73 GLN HA H 5.00 0.02 1 803 . 73 GLN HB2 H 2.16 0.02 2 804 . 73 GLN HB3 H 1.90 0.02 2 805 . 73 GLN HG2 H 2.44 0.02 2 806 . 73 GLN HG3 H 2.29 0.02 2 807 . 73 GLN C C 176.1 0.2 1 808 . 73 GLN CA C 54.6 0.2 1 809 . 73 GLN CB C 30.5 0.2 1 810 . 73 GLN CG C 34.2 0.2 1 811 . 73 GLN N N 124.3 0.2 1 812 . 74 ARG H H 8.90 0.02 1 813 . 74 ARG HA H 4.60 0.02 1 814 . 74 ARG HB2 H 1.85 0.02 2 815 . 74 ARG HB3 H 1.71 0.02 2 816 . 74 ARG HG2 H 1.63 0.02 1 817 . 74 ARG HG3 H 1.63 0.02 1 818 . 74 ARG HD2 H 3.24 0.02 1 819 . 74 ARG HD3 H 3.24 0.02 1 820 . 74 ARG CA C 54.2 0.2 1 821 . 74 ARG CB C 30.5 0.2 1 822 . 74 ARG N N 126.5 0.2 1 823 . 75 PRO HA H 4.46 0.02 1 824 . 75 PRO HB2 H 2.34 0.02 2 825 . 75 PRO HB3 H 1.90 0.02 2 826 . 75 PRO HG2 H 2.05 0.02 1 827 . 75 PRO HG3 H 2.05 0.02 1 828 . 75 PRO HD2 H 3.84 0.02 2 829 . 75 PRO HD3 H 3.66 0.02 2 830 . 75 PRO C C 176.5 0.2 1 831 . 75 PRO CA C 62.9 0.2 1 832 . 75 PRO CB C 32.2 0.2 1 833 . 75 PRO CG C 27.6 0.2 1 834 . 75 PRO CD C 51.0 0.2 1 835 . 76 ARG H H 8.45 0.02 1 836 . 76 ARG HA H 4.30 0.02 1 837 . 76 ARG HB2 H 1.85 0.02 1 838 . 76 ARG HB3 H 1.85 0.02 1 839 . 76 ARG HG2 H 1.62 0.02 1 840 . 76 ARG HG3 H 1.62 0.02 1 841 . 76 ARG HD2 H 3.23 0.02 1 842 . 76 ARG HD3 H 3.23 0.02 1 843 . 76 ARG C C 176.3 0.2 1 844 . 76 ARG CA C 56.0 0.2 1 845 . 76 ARG CB C 30.9 0.2 1 846 . 76 ARG CG C 27.4 0.2 1 847 . 76 ARG CD C 43.4 0.2 1 848 . 76 ARG N N 122.0 0.2 1 849 . 77 ARG H H 8.45 0.02 1 850 . 77 ARG HA H 4.36 0.02 1 851 . 77 ARG HB2 H 1.84 0.02 1 852 . 77 ARG HB3 H 1.84 0.02 1 853 . 77 ARG HG2 H 1.68 0.02 1 854 . 77 ARG HG3 H 1.68 0.02 1 855 . 77 ARG HD2 H 3.23 0.02 1 856 . 77 ARG HD3 H 3.23 0.02 1 857 . 77 ARG C C 175.3 0.2 1 858 . 77 ARG CA C 56.1 0.2 1 859 . 77 ARG CB C 30.9 0.2 1 860 . 77 ARG CG C 27.1 0.2 1 861 . 77 ARG CD C 43.4 0.2 1 862 . 77 ARG N N 123.6 0.2 1 863 . 78 ARG H H 8.04 0.02 1 864 . 78 ARG HA H 4.20 0.02 . 865 . 78 ARG HG2 H 1.48 0.02 1 866 . 78 ARG HG3 H 1.48 0.02 1 867 . 78 ARG HD2 H 2.81 0.02 1 868 . 78 ARG HD3 H 2.81 0.02 1 869 . 78 ARG N N 127.8 0.2 1 stop_ save_