data_16977 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment of nsp7a from arterivirus ; _BMRB_accession_number 16977 _BMRB_flat_file_name bmr16977.str _Entry_type original _Submission_date 2010-06-07 _Accession_date 2010-06-07 _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 Conte Maria R. . 2 Gaudin Cyril . . 3 Manolaridis Ioannis . . 4 Tucker Paul A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 631 "13C chemical shifts" 506 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-24 update BMRB 'update entry citation' 2010-08-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignment of nsp7 from arterivirus.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20703834 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gaudin Cyril . . 2 Manolaridis Ioannis . . 3 Tucker Paul A. . 4 Conte Maria R. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 23 _Page_last 25 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name nsp7a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label nsp7a $nsp7a 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_nsp7a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common nsp7a _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; GLTATLAALTDDDFQFLSDV LDCRAVRSAMNLRAALTSFQ VAQYRNILNASLQVDRDAAR SRRLMAKLADFAVEQEVTAG DRVVVIDGLDRMAHFKDDLV LVPLTTKVVGGSRCTICDVV KEE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 LEU 3 THR 4 ALA 5 THR 6 LEU 7 ALA 8 ALA 9 LEU 10 THR 11 ASP 12 ASP 13 ASP 14 PHE 15 GLN 16 PHE 17 LEU 18 SER 19 ASP 20 VAL 21 LEU 22 ASP 23 CYS 24 ARG 25 ALA 26 VAL 27 ARG 28 SER 29 ALA 30 MET 31 ASN 32 LEU 33 ARG 34 ALA 35 ALA 36 LEU 37 THR 38 SER 39 PHE 40 GLN 41 VAL 42 ALA 43 GLN 44 TYR 45 ARG 46 ASN 47 ILE 48 LEU 49 ASN 50 ALA 51 SER 52 LEU 53 GLN 54 VAL 55 ASP 56 ARG 57 ASP 58 ALA 59 ALA 60 ARG 61 SER 62 ARG 63 ARG 64 LEU 65 MET 66 ALA 67 LYS 68 LEU 69 ALA 70 ASP 71 PHE 72 ALA 73 VAL 74 GLU 75 GLN 76 GLU 77 VAL 78 THR 79 ALA 80 GLY 81 ASP 82 ARG 83 VAL 84 VAL 85 VAL 86 ILE 87 ASP 88 GLY 89 LEU 90 ASP 91 ARG 92 MET 93 ALA 94 HIS 95 PHE 96 LYS 97 ASP 98 ASP 99 LEU 100 VAL 101 LEU 102 VAL 103 PRO 104 LEU 105 THR 106 THR 107 LYS 108 VAL 109 VAL 110 GLY 111 GLY 112 SER 113 ARG 114 CYS 115 THR 116 ILE 117 CYS 118 ASP 119 VAL 120 VAL 121 LYS 122 GLU 123 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2L8K "Nmr Structure Of The Arterivirus Nonstructural Protein 7 Alpha (Nsp7 Alpha)" 100.00 123 100.00 100.00 6.63e-80 DBJ BAQ56330 "replicase [Equine arteritis virus]" 99.19 3175 99.18 99.18 1.06e-72 EMBL CAA69186 "replicase ORF1a polyprotein [Cloning vector pEAV030]" 99.19 1727 100.00 100.00 6.64e-72 EMBL CAA69187 "replicase ORF1b polyprotein [Cloning vector pEAV030]" 99.19 3175 100.00 100.00 2.23e-73 EMBL CAC42774 "replicase ORF1a polyprotein [Equine arteritis virus]" 99.19 1727 100.00 100.00 6.64e-72 EMBL CAC42775 "replicase ORF1b polyprotein [Equine arteritis virus]" 99.19 3175 100.00 100.00 2.23e-73 GB AAR14191 "ORF1a polyprotein [Equine arteritis virus]" 99.19 1728 98.36 99.18 9.03e-71 GB AAR14192 "ORF1ab polyprotein [Equine arteritis virus]" 99.19 3176 98.36 99.18 2.62e-72 GB AAR14200 "ORF1a polyprotein [Equine arteritis virus]" 99.19 1728 98.36 99.18 8.85e-71 GB AAR14201 "ORF1ab polyprotein [Equine arteritis virus]" 99.19 3176 98.36 99.18 2.62e-72 GB ABI64071 "replicase polyprotein, partial [Equine arteritis virus]" 99.19 1725 100.00 100.00 8.29e-72 REF NP_127506 "replicase ORF1ab polyprotein [Equine arteritis virus]" 99.19 3175 100.00 100.00 2.23e-73 REF NP_127507 "replicase ORF1a polyprotein [Equine arteritis virus]" 99.19 1727 100.00 100.00 6.64e-72 REF NP_705589 "nsp7 [Equine arteritis virus]" 99.19 225 100.00 100.00 2.98e-78 SP P19811 "RecName: Full=Replicase polyprotein 1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Nsp1 papain-like cysteine pr" 99.19 3175 100.00 100.00 2.23e-73 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _Organism_acronym _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $nsp7a 'Equine arteritis virus' 03.004.0.01.002. Virus 11047 . Arteriviridae Equine "arteritis virus" 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 $nsp7a 'recombinant technology' . Escherichia coli . pETM-11 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 $nsp7a . mM 0.4 0.6 '[U-100% 13C; U-100% 15N]' H20 90 % . . 'natural abundance' D20 10 % . . 'natural abundance' 'potassium phosphate' 20 mM . . 'natural abundance' NaCl 50 nM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.5 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name nsp7a _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 GLY H H 8.411 0.003 1 2 1 1 GLY HA2 H 3.916 0.070 2 3 1 1 GLY HA3 H 3.978 0.070 2 4 1 1 GLY C C 174.194 0.070 1 5 1 1 GLY CA C 45.411 0.047 1 6 1 1 GLY N N 109.937 0.004 1 7 2 2 LEU H H 8.193 0.001 1 8 2 2 LEU HA H 4.364 0.001 1 9 2 2 LEU HB2 H 1.621 0.004 2 10 2 2 LEU HB3 H 1.621 0.004 2 11 2 2 LEU HD1 H 0.905 0.070 2 12 2 2 LEU HD2 H 0.864 0.070 2 13 2 2 LEU HG H 1.609 0.070 1 14 2 2 LEU C C 177.837 0.070 1 15 2 2 LEU CA C 55.617 0.024 1 16 2 2 LEU CB C 42.495 0.050 1 17 2 2 LEU CD1 C 24.828 0.070 2 18 2 2 LEU CD2 C 23.807 0.070 2 19 2 2 LEU CG C 27.056 0.070 1 20 2 2 LEU N N 121.878 0.015 1 21 3 3 THR H H 8.093 0.001 1 22 3 3 THR HA H 4.224 0.010 1 23 3 3 THR HB H 4.214 0.070 1 24 3 3 THR HG2 H 1.197 0.002 1 25 3 3 THR C C 174.563 0.070 1 26 3 3 THR CA C 62.510 0.056 1 27 3 3 THR CB C 69.725 0.082 1 28 3 3 THR CG2 C 21.755 0.011 1 29 3 3 THR N N 114.543 0.007 1 30 4 4 ALA H H 8.270 0.001 1 31 4 4 ALA HA H 4.260 0.001 1 32 4 4 ALA HB H 1.377 0.070 1 33 4 4 ALA C C 178.177 0.070 1 34 4 4 ALA CA C 52.995 0.107 1 35 4 4 ALA CB C 19.164 0.087 1 36 4 4 ALA N N 125.812 0.006 1 37 5 5 THR H H 8.030 0.003 1 38 5 5 THR HA H 4.202 0.021 1 39 5 5 THR HB H 4.167 0.070 1 40 5 5 THR HG2 H 1.179 0.001 1 41 5 5 THR C C 174.904 0.070 1 42 5 5 THR CA C 62.645 0.024 1 43 5 5 THR CB C 69.671 0.046 1 44 5 5 THR CG2 C 21.752 0.009 1 45 5 5 THR N N 113.465 0.006 1 46 6 6 LEU H H 8.106 0.004 1 47 6 6 LEU HA H 4.292 0.001 1 48 6 6 LEU HB2 H 1.628 0.070 2 49 6 6 LEU HB3 H 1.628 0.070 2 50 6 6 LEU HD1 H 0.874 0.024 2 51 6 6 LEU HD2 H 0.874 0.024 2 52 6 6 LEU HG H 1.651 0.070 1 53 6 6 LEU C C 177.137 0.070 1 54 6 6 LEU CA C 55.550 0.012 1 55 6 6 LEU CB C 42.206 0.044 1 56 6 6 LEU CD1 C 25.175 0.070 2 57 6 6 LEU CD2 C 23.593 0.070 2 58 6 6 LEU CG C 27.033 0.070 1 59 6 6 LEU N N 124.140 0.045 1 60 7 7 ALA H H 8.083 0.003 1 61 7 7 ALA HA H 4.264 0.002 1 62 7 7 ALA HB H 1.377 0.070 1 63 7 7 ALA C C 176.981 0.070 1 64 7 7 ALA CA C 52.609 0.065 1 65 7 7 ALA CB C 19.132 0.070 1 66 7 7 ALA N N 123.640 0.041 1 67 8 8 ALA H H 7.927 0.003 1 68 8 8 ALA HA H 4.352 0.006 1 69 8 8 ALA HB H 1.373 0.006 1 70 8 8 ALA C C 177.335 0.070 1 71 8 8 ALA CA C 52.398 0.220 1 72 8 8 ALA CB C 19.290 0.124 1 73 8 8 ALA N N 121.792 0.040 1 74 9 9 LEU H H 7.897 0.004 1 75 9 9 LEU HA H 4.501 0.003 1 76 9 9 LEU HB2 H 1.646 0.007 2 77 9 9 LEU HB3 H 1.120 0.004 2 78 9 9 LEU HD1 H 0.820 0.008 2 79 9 9 LEU HD2 H 0.686 0.002 2 80 9 9 LEU HG H 1.710 0.001 1 81 9 9 LEU C C 177.752 0.070 1 82 9 9 LEU CA C 55.150 0.070 1 83 9 9 LEU CB C 43.211 0.034 1 84 9 9 LEU CD1 C 25.661 0.070 2 85 9 9 LEU CD2 C 23.440 0.070 2 86 9 9 LEU CG C 27.370 0.070 1 87 9 9 LEU N N 121.476 0.039 1 88 10 10 THR H H 9.345 0.003 1 89 10 10 THR HA H 4.708 0.011 1 90 10 10 THR HB H 4.661 0.002 1 91 10 10 THR HG2 H 1.307 0.003 1 92 10 10 THR C C 175.647 0.070 1 93 10 10 THR CA C 60.514 0.044 1 94 10 10 THR CB C 72.400 0.066 1 95 10 10 THR CG2 C 21.660 0.061 1 96 10 10 THR N N 114.549 0.029 1 97 11 11 ASP H H 8.921 0.004 1 98 11 11 ASP HA H 5.129 0.014 1 99 11 11 ASP HB2 H 2.669 0.070 2 100 11 11 ASP HB3 H 2.363 0.070 2 101 11 11 ASP C C 178.353 0.070 1 102 11 11 ASP CA C 58.058 0.604 1 103 11 11 ASP CB C 41.106 0.070 1 104 11 11 ASP N N 120.391 0.017 1 105 12 12 ASP H H 8.245 0.002 1 106 12 12 ASP HA H 4.436 0.005 1 107 12 12 ASP HB2 H 2.556 0.006 2 108 12 12 ASP C C 179.035 0.070 1 109 12 12 ASP CA C 57.178 0.051 1 110 12 12 ASP CB C 41.059 0.079 1 111 12 12 ASP N N 117.963 0.085 1 112 13 13 ASP H H 7.780 0.002 1 113 13 13 ASP HA H 4.288 0.002 1 114 13 13 ASP HB2 H 2.733 0.004 2 115 13 13 ASP HB3 H 2.336 0.004 2 116 13 13 ASP C C 178.218 0.070 1 117 13 13 ASP CA C 58.113 0.046 1 118 13 13 ASP CB C 41.103 0.053 1 119 13 13 ASP N N 121.357 0.042 1 120 14 14 PHE H H 7.859 0.003 1 121 14 14 PHE HA H 4.147 0.005 1 122 14 14 PHE HB2 H 2.987 0.007 2 123 14 14 PHE HB3 H 2.885 0.004 2 124 14 14 PHE HD1 H 7.084 0.007 3 125 14 14 PHE HE1 H 7.202 0.002 3 126 14 14 PHE C C 177.982 0.070 1 127 14 14 PHE CA C 63.082 0.023 1 128 14 14 PHE CB C 38.656 0.041 1 129 14 14 PHE CD1 C 131.494 0.070 3 130 14 14 PHE CE1 C 131.577 0.070 3 131 14 14 PHE N N 118.299 0.031 1 132 15 15 GLN H H 8.411 0.003 1 133 15 15 GLN HA H 3.970 0.004 1 134 15 15 GLN HB2 H 2.277 0.001 2 135 15 15 GLN HB3 H 2.232 0.017 2 136 15 15 GLN HE21 H 7.693 0.070 2 137 15 15 GLN HE22 H 6.820 0.070 2 138 15 15 GLN HG2 H 2.474 0.004 2 139 15 15 GLN HG3 H 2.412 0.070 2 140 15 15 GLN C C 177.494 0.070 1 141 15 15 GLN CA C 58.632 0.008 1 142 15 15 GLN CB C 28.251 0.054 1 143 15 15 GLN CG C 33.888 0.070 1 144 15 15 GLN N N 120.245 0.031 1 145 15 15 GLN NE2 N 115.016 0.003 1 146 16 16 PHE H H 7.750 0.005 1 147 16 16 PHE HA H 4.294 0.005 1 148 16 16 PHE HB2 H 3.134 0.006 2 149 16 16 PHE HD1 H 7.112 0.006 3 150 16 16 PHE HE1 H 7.056 0.006 3 151 16 16 PHE HZ H 7.245 0.006 1 152 16 16 PHE C C 176.983 0.070 1 153 16 16 PHE CA C 62.049 0.022 1 154 16 16 PHE CB C 38.766 0.032 1 155 16 16 PHE CD1 C 131.800 0.070 3 156 16 16 PHE CE1 C 131.700 0.070 3 157 16 16 PHE CZ C 129.701 0.070 1 158 16 16 PHE N N 120.039 0.030 1 159 17 17 LEU H H 8.112 0.004 1 160 17 17 LEU HA H 3.737 0.005 1 161 17 17 LEU HB2 H 1.976 0.005 2 162 17 17 LEU HB3 H 1.214 0.005 2 163 17 17 LEU HD1 H 0.835 0.001 2 164 17 17 LEU HD2 H 0.768 0.002 2 165 17 17 LEU HG H 1.943 0.006 1 166 17 17 LEU C C 178.193 0.070 1 167 17 17 LEU CA C 58.236 0.003 1 168 17 17 LEU CB C 41.445 0.048 1 169 17 17 LEU CD1 C 23.557 0.070 2 170 17 17 LEU CD2 C 25.726 0.070 2 171 17 17 LEU CG C 26.991 0.043 1 172 17 17 LEU N N 117.672 0.033 1 173 18 18 SER H H 7.938 0.002 1 174 18 18 SER HA H 3.842 0.006 1 175 18 18 SER HB2 H 4.255 0.002 2 176 18 18 SER HB3 H 3.752 0.005 2 177 18 18 SER C C 176.454 0.070 1 178 18 18 SER CA C 61.931 0.070 1 179 18 18 SER CB C 62.841 0.087 1 180 18 18 SER N N 112.181 0.030 1 181 19 19 ASP H H 7.860 0.004 1 182 19 19 ASP HA H 4.210 0.005 1 183 19 19 ASP HB2 H 2.708 0.005 2 184 19 19 ASP HB3 H 2.380 0.004 2 185 19 19 ASP C C 180.276 0.070 1 186 19 19 ASP CA C 57.341 0.007 1 187 19 19 ASP CB C 39.542 0.050 1 188 19 19 ASP N N 119.794 0.016 1 189 20 20 VAL H H 8.604 0.003 1 190 20 20 VAL HA H 3.352 0.005 1 191 20 20 VAL HB H 2.251 0.004 1 192 20 20 VAL HG1 H 0.838 0.007 2 193 20 20 VAL HG2 H 0.414 0.005 2 194 20 20 VAL C C 178.478 0.070 1 195 20 20 VAL CA C 67.215 0.003 1 196 20 20 VAL CB C 31.477 0.050 1 197 20 20 VAL CG1 C 21.470 0.070 2 198 20 20 VAL CG2 C 24.405 0.053 2 199 20 20 VAL N N 124.697 0.040 1 200 21 21 LEU H H 7.748 0.002 1 201 21 21 LEU HA H 4.011 0.003 1 202 21 21 LEU HB2 H 1.927 0.005 2 203 21 21 LEU HB3 H 1.396 0.003 2 204 21 21 LEU HD1 H 0.820 0.005 2 205 21 21 LEU HD2 H 0.526 0.005 2 206 21 21 LEU HG H 1.672 0.005 1 207 21 21 LEU C C 176.627 0.070 1 208 21 21 LEU CA C 56.731 0.031 1 209 21 21 LEU CB C 41.639 0.029 1 210 21 21 LEU CD1 C 26.870 0.070 2 211 21 21 LEU CD2 C 23.640 0.070 2 212 21 21 LEU CG C 27.320 0.083 1 213 21 21 LEU N N 117.961 0.018 1 214 22 22 ASP H H 7.306 0.002 1 215 22 22 ASP HA H 4.839 0.004 1 216 22 22 ASP HB2 H 2.883 0.005 2 217 22 22 ASP HB3 H 2.699 0.008 2 218 22 22 ASP C C 177.833 0.070 1 219 22 22 ASP CA C 54.619 0.070 1 220 22 22 ASP CB C 41.792 0.080 1 221 22 22 ASP N N 117.575 0.031 1 222 23 23 CYS H H 7.731 0.004 1 223 23 23 CYS HA H 4.187 0.005 1 224 23 23 CYS HB2 H 3.397 0.005 2 225 23 23 CYS HB3 H 2.664 0.005 2 226 23 23 CYS C C 174.562 0.070 1 227 23 23 CYS CA C 62.567 0.001 1 228 23 23 CYS CB C 28.717 0.040 1 229 23 23 CYS N N 119.880 0.068 1 230 24 24 ARG H H 8.593 0.003 1 231 24 24 ARG HA H 4.186 0.006 1 232 24 24 ARG HB2 H 1.979 0.003 2 233 24 24 ARG HB3 H 1.725 0.009 2 234 24 24 ARG HD2 H 3.272 0.002 2 235 24 24 ARG HD3 H 3.154 0.003 2 236 24 24 ARG HG2 H 1.816 0.006 2 237 24 24 ARG C C 174.916 0.070 1 238 24 24 ARG CA C 56.551 0.070 1 239 24 24 ARG CB C 32.178 0.072 1 240 24 24 ARG CD C 42.880 0.080 1 241 24 24 ARG CG C 27.550 0.080 1 242 24 24 ARG N N 121.272 0.034 1 243 25 25 ALA H H 7.302 0.003 1 244 25 25 ALA HA H 4.674 0.005 1 245 25 25 ALA HB H 1.368 0.002 1 246 25 25 ALA C C 174.397 0.070 1 247 25 25 ALA CA C 51.121 0.002 1 248 25 25 ALA CB C 22.799 0.071 1 249 25 25 ALA N N 113.961 0.033 1 250 26 26 VAL H H 8.443 0.009 1 251 26 26 VAL HA H 4.921 0.006 1 252 26 26 VAL HB H 1.600 0.004 1 253 26 26 VAL HG1 H 0.679 0.003 2 254 26 26 VAL HG2 H 0.435 0.005 2 255 26 26 VAL C C 175.877 0.070 1 256 26 26 VAL CA C 60.330 0.070 1 257 26 26 VAL CB C 34.278 0.057 1 258 26 26 VAL CG1 C 21.900 0.040 2 259 26 26 VAL CG2 C 21.287 0.044 2 260 26 26 VAL N N 120.141 0.057 1 261 27 27 ARG H H 9.033 0.003 1 262 27 27 ARG HA H 4.767 0.012 1 263 27 27 ARG HB2 H 1.980 0.009 2 264 27 27 ARG HB3 H 1.402 0.005 2 265 27 27 ARG HD2 H 3.141 0.004 2 266 27 27 ARG HD3 H 3.616 0.004 2 267 27 27 ARG HG2 H 1.759 0.005 2 268 27 27 ARG HG3 H 1.258 0.002 2 269 27 27 ARG C C 174.210 0.070 1 270 27 27 ARG CA C 52.251 0.002 1 271 27 27 ARG CB C 37.231 0.046 1 272 27 27 ARG CD C 44.281 0.080 1 273 27 27 ARG CG C 26.903 0.080 1 274 27 27 ARG N N 125.410 0.015 1 275 28 28 SER H H 8.941 0.003 1 276 28 28 SER HA H 5.002 0.005 1 277 28 28 SER HB2 H 3.794 0.004 2 278 28 28 SER HB3 H 3.565 0.003 2 279 28 28 SER CA C 56.031 0.070 1 280 28 28 SER CB C 64.124 0.065 1 281 28 28 SER N N 114.430 0.040 1 282 29 29 ALA HA H 3.794 0.001 1 283 29 29 ALA HB H 1.458 0.001 1 284 29 29 ALA C C 178.509 0.070 1 285 29 29 ALA CA C 54.666 0.070 1 286 29 29 ALA CB C 18.754 0.038 1 287 30 30 MET H H 8.210 0.004 1 288 30 30 MET HA H 4.193 0.003 1 289 30 30 MET HB2 H 2.049 0.004 2 290 30 30 MET HB3 H 2.008 0.003 2 291 30 30 MET HE H 2.112 0.003 1 292 30 30 MET HG2 H 2.643 0.004 2 293 30 30 MET HG3 H 2.543 0.003 2 294 30 30 MET C C 177.609 0.070 1 295 30 30 MET CA C 57.189 0.033 1 296 30 30 MET CB C 32.564 0.070 1 297 30 30 MET CE C 17.011 0.050 1 298 30 30 MET CG C 32.352 0.050 1 299 30 30 MET N N 115.368 0.070 1 300 31 31 ASN H H 7.448 0.004 1 301 31 31 ASN HA H 4.609 0.004 1 302 31 31 ASN HB2 H 2.945 0.003 2 303 31 31 ASN HD21 H 7.636 0.004 2 304 31 31 ASN HD22 H 6.853 0.001 2 305 31 31 ASN C C 175.432 0.070 1 306 31 31 ASN CA C 53.491 0.008 1 307 31 31 ASN CB C 37.653 0.084 1 308 31 31 ASN N N 113.117 0.072 1 309 31 31 ASN ND2 N 111.142 0.005 1 310 32 32 LEU H H 9.231 0.005 1 311 32 32 LEU HA H 4.092 0.006 1 312 32 32 LEU HB2 H 1.991 0.003 2 313 32 32 LEU HB3 H 1.612 0.001 2 314 32 32 LEU HD1 H 0.953 0.003 2 315 32 32 LEU HD2 H 0.780 0.002 2 316 32 32 LEU HG H 1.884 0.010 1 317 32 32 LEU C C 176.598 0.070 1 318 32 32 LEU CA C 57.309 0.070 1 319 32 32 LEU CB C 42.535 0.083 1 320 32 32 LEU CD1 C 26.548 0.004 2 321 32 32 LEU CD2 C 24.512 0.051 2 322 32 32 LEU CG C 27.266 0.070 1 323 32 32 LEU N N 126.804 0.050 1 324 33 33 ARG H H 7.788 0.003 1 325 33 33 ARG HA H 4.255 0.003 1 326 33 33 ARG HB2 H 1.929 0.004 2 327 33 33 ARG HB3 H 1.768 0.001 2 328 33 33 ARG HD2 H 3.165 0.006 2 329 33 33 ARG HD3 H 3.134 0.040 2 330 33 33 ARG HG2 H 1.820 0.040 2 331 33 33 ARG C C 176.625 0.070 1 332 33 33 ARG CA C 56.497 0.043 1 333 33 33 ARG CB C 30.493 0.058 1 334 33 33 ARG CD C 43.409 0.070 1 335 33 33 ARG CG C 27.786 0.070 1 336 33 33 ARG N N 112.907 0.016 1 337 34 34 ALA H H 7.100 0.001 1 338 34 34 ALA HA H 4.470 0.002 1 339 34 34 ALA HB H 1.306 0.002 1 340 34 34 ALA C C 175.425 0.070 1 341 34 34 ALA CA C 51.130 0.070 1 342 34 34 ALA CB C 21.258 0.075 1 343 34 34 ALA N N 122.648 0.020 1 344 35 35 ALA H H 8.229 0.003 1 345 35 35 ALA HA H 4.302 0.003 1 346 35 35 ALA HB H 1.365 0.010 1 347 35 35 ALA C C 178.710 0.070 1 348 35 35 ALA CA C 52.033 0.009 1 349 35 35 ALA CB C 18.969 0.081 1 350 35 35 ALA N N 123.218 0.015 1 351 36 36 LEU H H 9.047 0.004 1 352 36 36 LEU HA H 4.335 0.004 1 353 36 36 LEU HB2 H 1.669 0.006 2 354 36 36 LEU HB3 H 1.581 0.006 2 355 36 36 LEU HD1 H 0.757 0.004 2 356 36 36 LEU HD2 H 0.668 0.001 2 357 36 36 LEU HG H 1.751 0.073 1 358 36 36 LEU C C 178.347 0.070 1 359 36 36 LEU CA C 55.114 0.025 1 360 36 36 LEU CB C 42.394 0.093 1 361 36 36 LEU CD1 C 23.143 0.070 2 362 36 36 LEU CD2 C 25.900 0.070 2 363 36 36 LEU CG C 27.704 0.070 1 364 36 36 LEU N N 122.064 0.024 1 365 37 37 THR H H 8.765 0.003 1 366 37 37 THR HA H 4.410 0.038 1 367 37 37 THR HB H 4.811 0.006 1 368 37 37 THR HG2 H 1.433 0.002 1 369 37 37 THR CA C 61.105 0.070 1 370 37 37 THR CB C 71.406 0.024 1 371 37 37 THR CG2 C 21.856 0.070 1 372 37 37 THR N N 111.739 0.034 1 373 38 38 SER H H 7.765 0.002 1 374 39 39 PHE H H 7.229 0.002 1 375 39 39 PHE HA H 4.377 0.007 1 376 39 39 PHE HB2 H 3.233 0.004 2 377 39 39 PHE HB3 H 3.011 0.006 2 378 39 39 PHE HD1 H 7.226 0.070 3 379 39 39 PHE HE1 H 7.364 0.002 3 380 39 39 PHE C C 177.671 0.070 1 381 39 39 PHE CA C 60.903 0.019 1 382 39 39 PHE CB C 39.322 0.099 1 383 39 39 PHE CD1 C 131.772 0.070 3 384 39 39 PHE CE1 C 131.845 0.070 3 385 40 40 GLN H H 7.769 0.005 1 386 40 40 GLN HA H 3.975 0.007 1 387 40 40 GLN HB2 H 2.528 0.004 2 388 40 40 GLN HB3 H 1.907 0.004 2 389 40 40 GLN HE21 H 7.741 0.070 2 390 40 40 GLN HE22 H 6.946 0.002 2 391 40 40 GLN HG2 H 2.553 0.070 2 392 40 40 GLN HG3 H 2.527 0.004 2 393 40 40 GLN C C 179.339 0.070 1 394 40 40 GLN CA C 59.075 0.015 1 395 40 40 GLN CB C 30.198 0.043 1 396 40 40 GLN CG C 35.213 0.037 1 397 40 40 GLN N N 119.694 0.083 1 398 40 40 GLN NE2 N 111.892 0.001 1 399 41 41 VAL H H 8.645 0.002 1 400 41 41 VAL HA H 3.459 0.003 1 401 41 41 VAL HB H 2.107 0.001 1 402 41 41 VAL HG1 H 0.974 0.005 2 403 41 41 VAL HG2 H 0.983 0.001 2 404 41 41 VAL C C 177.433 0.070 1 405 41 41 VAL CA C 67.788 0.090 1 406 41 41 VAL CB C 31.922 0.077 1 407 41 41 VAL CG1 C 21.752 0.049 2 408 41 41 VAL CG2 C 24.243 0.009 2 409 41 41 VAL N N 119.978 0.028 1 410 42 42 ALA H H 7.909 0.001 1 411 42 42 ALA HA H 4.019 0.004 1 412 42 42 ALA HB H 1.472 0.002 1 413 42 42 ALA C C 180.285 0.070 1 414 42 42 ALA CA C 55.395 0.017 1 415 42 42 ALA CB C 17.889 0.055 1 416 42 42 ALA N N 121.283 0.048 1 417 43 43 GLN H H 7.920 0.001 1 418 43 43 GLN HA H 3.956 0.005 1 419 43 43 GLN HB2 H 1.986 0.001 2 420 43 43 GLN HE21 H 7.120 0.001 2 421 43 43 GLN HE22 H 6.877 0.070 2 422 43 43 GLN HG2 H 2.139 0.006 2 423 43 43 GLN HG3 H 1.983 0.070 2 424 43 43 GLN C C 178.858 0.070 1 425 43 43 GLN CA C 58.697 0.008 1 426 43 43 GLN CB C 28.686 0.063 1 427 43 43 GLN CG C 33.838 0.008 1 428 43 43 GLN N N 116.749 0.021 1 429 43 43 GLN NE2 N 112.209 0.070 1 430 44 44 TYR H H 8.169 0.002 1 431 44 44 TYR HA H 4.318 0.004 1 432 44 44 TYR HB2 H 3.107 0.003 2 433 44 44 TYR HB3 H 2.927 0.004 2 434 44 44 TYR HD1 H 6.991 0.002 3 435 44 44 TYR HE1 H 6.712 0.002 3 436 44 44 TYR C C 178.016 0.070 1 437 44 44 TYR CA C 62.184 0.009 1 438 44 44 TYR CB C 38.148 0.072 1 439 44 44 TYR CD1 C 132.339 0.043 3 440 44 44 TYR CE1 C 117.809 0.022 3 441 44 44 TYR N N 120.723 0.020 1 442 45 45 ARG H H 9.044 0.002 1 443 45 45 ARG HA H 3.679 0.002 1 444 45 45 ARG HB2 H 2.007 0.006 2 445 45 45 ARG HB3 H 1.909 0.001 2 446 45 45 ARG HD2 H 3.269 0.075 2 447 45 45 ARG HG2 H 1.895 0.090 2 448 45 45 ARG HG3 H 1.602 0.003 2 449 45 45 ARG C C 178.200 0.070 1 450 45 45 ARG CA C 60.736 0.049 1 451 45 45 ARG CB C 30.090 0.003 1 452 45 45 ARG CD C 43.833 0.090 1 453 45 45 ARG CG C 28.873 0.080 1 454 45 45 ARG N N 118.892 0.016 1 455 46 46 ASN H H 7.826 0.005 1 456 46 46 ASN HA H 4.462 0.002 1 457 46 46 ASN HB2 H 2.955 0.005 2 458 46 46 ASN HB3 H 2.835 0.001 2 459 46 46 ASN HD21 H 7.559 0.070 2 460 46 46 ASN HD22 H 6.915 0.070 2 461 46 46 ASN C C 178.338 0.070 1 462 46 46 ASN CA C 56.407 0.101 1 463 46 46 ASN CB C 37.953 0.032 1 464 46 46 ASN N N 116.318 0.026 1 465 46 46 ASN ND2 N 112.203 0.070 1 466 47 47 ILE H H 7.601 0.004 1 467 47 47 ILE HA H 3.764 0.003 1 468 47 47 ILE HB H 1.865 0.003 1 469 47 47 ILE HD1 H 0.866 0.006 1 470 47 47 ILE HG12 H 1.722 0.004 2 471 47 47 ILE HG13 H 1.173 0.002 2 472 47 47 ILE HG2 H 0.760 0.002 1 473 47 47 ILE C C 179.038 0.070 1 474 47 47 ILE CA C 65.078 0.011 1 475 47 47 ILE CB C 37.989 0.051 1 476 47 47 ILE CD1 C 13.361 0.046 1 477 47 47 ILE CG1 C 29.120 0.055 1 478 47 47 ILE CG2 C 17.227 0.031 1 479 47 47 ILE N N 122.598 0.032 1 480 48 48 LEU H H 8.000 0.003 1 481 48 48 LEU HA H 3.795 0.006 1 482 48 48 LEU HB2 H 1.786 0.005 2 483 48 48 LEU HB3 H 0.997 0.004 2 484 48 48 LEU HD1 H 0.553 0.009 2 485 48 48 LEU HD2 H 0.243 0.003 2 486 48 48 LEU HG H 1.374 0.003 1 487 48 48 LEU C C 178.852 0.070 1 488 48 48 LEU CA C 58.487 0.034 1 489 48 48 LEU CB C 41.667 0.067 1 490 48 48 LEU CD1 C 22.857 0.070 2 491 48 48 LEU CD2 C 25.581 0.070 2 492 48 48 LEU CG C 26.810 0.070 1 493 48 48 LEU N N 121.312 0.037 1 494 49 49 ASN H H 8.750 0.002 1 495 49 49 ASN HA H 4.103 0.007 1 496 49 49 ASN HB2 H 2.833 0.004 2 497 49 49 ASN HB3 H 2.770 0.010 2 498 49 49 ASN HD21 H 7.465 0.001 2 499 49 49 ASN HD22 H 6.630 0.002 2 500 49 49 ASN C C 176.810 0.070 1 501 49 49 ASN CA C 57.262 0.072 1 502 49 49 ASN CB C 39.662 0.023 1 503 49 49 ASN N N 117.478 0.017 1 504 49 49 ASN ND2 N 112.132 0.020 1 505 50 50 ALA H H 7.789 0.003 1 506 50 50 ALA HA H 4.032 0.005 1 507 50 50 ALA HB H 1.490 0.001 1 508 50 50 ALA C C 180.595 0.070 1 509 50 50 ALA CA C 55.144 0.001 1 510 50 50 ALA CB C 18.100 0.068 1 511 50 50 ALA N N 119.017 0.046 1 512 51 51 SER H H 7.489 0.003 1 513 51 51 SER HA H 4.306 0.003 1 514 51 51 SER HB2 H 3.980 0.002 2 515 51 51 SER HB3 H 3.673 0.003 2 516 51 51 SER C C 175.046 0.070 1 517 51 51 SER CA C 62.221 0.030 1 518 51 51 SER CB C 63.614 0.045 1 519 51 51 SER N N 112.878 0.038 1 520 52 52 LEU H H 8.155 0.002 1 521 52 52 LEU HA H 4.165 0.006 1 522 52 52 LEU HB2 H 1.923 0.003 2 523 52 52 LEU HB3 H 1.422 0.005 2 524 52 52 LEU HD1 H 0.930 0.003 2 525 52 52 LEU HD2 H 0.764 0.006 2 526 52 52 LEU HG H 1.992 0.002 1 527 52 52 LEU C C 179.931 0.070 1 528 52 52 LEU CA C 57.577 0.070 1 529 52 52 LEU CB C 41.756 0.075 1 530 52 52 LEU CD1 C 24.311 0.070 2 531 52 52 LEU CD2 C 26.188 0.026 2 532 52 52 LEU CG C 26.885 0.042 1 533 52 52 LEU N N 119.252 0.018 1 534 53 53 GLN H H 7.882 0.002 1 535 53 53 GLN HA H 3.994 0.005 1 536 53 53 GLN HB2 H 2.140 0.070 2 537 53 53 GLN HB3 H 2.086 0.001 2 538 53 53 GLN HE21 H 7.261 0.070 2 539 53 53 GLN HE22 H 6.777 0.070 2 540 53 53 GLN HG2 H 2.497 0.002 2 541 53 53 GLN HG3 H 2.497 0.002 2 542 53 53 GLN C C 176.965 0.070 1 543 53 53 GLN CA C 58.065 0.032 1 544 53 53 GLN CB C 28.868 0.073 1 545 53 53 GLN CG C 34.146 0.030 1 546 53 53 GLN N N 115.099 0.031 1 547 53 53 GLN NE2 N 111.993 0.001 1 548 54 54 VAL H H 7.162 0.005 1 549 54 54 VAL HA H 4.273 0.002 1 550 54 54 VAL HB H 2.508 0.004 1 551 54 54 VAL HG1 H 1.195 0.003 2 552 54 54 VAL HG2 H 1.050 0.007 2 553 54 54 VAL C C 175.924 0.070 1 554 54 54 VAL CA C 61.668 0.011 1 555 54 54 VAL CB C 31.608 0.048 1 556 54 54 VAL CG1 C 20.341 0.070 2 557 54 54 VAL CG2 C 21.730 0.070 2 558 54 54 VAL N N 111.537 0.031 1 559 55 55 ASP H H 6.967 0.001 1 560 55 55 ASP HA H 3.866 0.004 1 561 55 55 ASP HB2 H 2.400 0.004 2 562 55 55 ASP HB3 H 2.016 0.003 2 563 55 55 ASP C C 177.114 0.070 1 564 55 55 ASP CA C 54.978 0.079 1 565 55 55 ASP CB C 41.198 0.044 1 566 55 55 ASP N N 122.129 0.025 1 567 56 56 ARG H H 8.168 0.001 1 568 56 56 ARG HA H 4.119 0.003 1 569 56 56 ARG HB2 H 1.984 0.006 2 570 56 56 ARG HB3 H 1.763 0.001 2 571 56 56 ARG C C 176.345 0.070 1 572 56 56 ARG CA C 56.898 0.011 1 573 56 56 ARG CB C 30.099 0.015 1 574 56 56 ARG N N 125.741 0.015 1 575 57 57 ASP H H 8.374 0.002 1 576 57 57 ASP HA H 4.529 0.004 1 577 57 57 ASP HB2 H 3.128 0.001 2 578 57 57 ASP HB3 H 2.309 0.003 2 579 57 57 ASP C C 174.913 0.070 1 580 57 57 ASP CA C 53.129 0.004 1 581 57 57 ASP CB C 40.671 0.037 1 582 57 57 ASP N N 122.516 0.016 1 583 58 58 ALA H H 8.116 0.001 1 584 58 58 ALA HA H 4.029 0.006 1 585 58 58 ALA HB H 1.415 0.001 1 586 58 58 ALA C C 179.831 0.070 1 587 58 58 ALA CA C 54.677 0.070 1 588 58 58 ALA CB C 18.690 0.070 1 589 58 58 ALA N N 128.235 0.023 1 590 59 59 ALA H H 8.142 0.003 1 591 59 59 ALA HA H 4.042 0.006 1 592 59 59 ALA HB H 1.439 0.004 1 593 59 59 ALA C C 180.562 0.070 1 594 59 59 ALA CA C 54.946 0.070 1 595 59 59 ALA CB C 18.132 0.032 1 596 59 59 ALA N N 120.750 0.026 1 597 60 60 ARG H H 8.062 0.002 1 598 60 60 ARG HA H 3.891 0.004 1 599 60 60 ARG HB2 H 1.988 0.004 2 600 60 60 ARG HB3 H 1.451 0.003 2 601 60 60 ARG C C 177.788 0.070 1 602 60 60 ARG CA C 59.478 0.015 1 603 60 60 ARG CB C 29.968 0.134 1 604 60 60 ARG N N 121.857 0.023 1 605 61 61 SER H H 8.222 0.002 1 606 61 61 SER HA H 4.287 0.009 1 607 61 61 SER HB2 H 3.888 0.003 2 608 61 61 SER C C 177.127 0.070 1 609 61 61 SER CA C 61.644 0.016 1 610 61 61 SER CB C 63.219 0.041 1 611 61 61 SER N N 114.313 0.020 1 612 62 62 ARG H H 7.785 0.003 1 613 62 62 ARG HA H 4.013 0.002 1 614 62 62 ARG HB2 H 1.948 0.001 2 615 62 62 ARG HB3 H 1.837 0.004 2 616 62 62 ARG HD2 H 3.230 0.070 2 617 62 62 ARG HD3 H 3.173 0.070 2 618 62 62 ARG HG2 H 1.818 0.070 2 619 62 62 ARG HG3 H 1.631 0.002 2 620 62 62 ARG C C 179.568 0.070 1 621 62 62 ARG CA C 59.752 0.017 1 622 62 62 ARG CB C 30.134 0.070 1 623 62 62 ARG CD C 43.576 0.070 1 624 62 62 ARG CG C 27.659 0.006 1 625 62 62 ARG N N 119.308 0.060 1 626 63 63 ARG H H 7.655 0.002 1 627 63 63 ARG HA H 4.119 0.003 1 628 63 63 ARG HB2 H 1.969 0.070 2 629 63 63 ARG HB3 H 1.768 0.070 2 630 63 63 ARG HD2 H 3.267 0.070 2 631 63 63 ARG HD3 H 3.211 0.070 2 632 63 63 ARG HG2 H 1.724 0.010 2 633 63 63 ARG HG3 H 1.540 0.003 2 634 63 63 ARG C C 179.210 0.070 1 635 63 63 ARG CA C 59.376 0.097 1 636 63 63 ARG CB C 30.288 0.093 1 637 63 63 ARG CD C 43.428 0.070 1 638 63 63 ARG CG C 27.741 0.066 1 639 63 63 ARG N N 119.872 0.022 1 640 64 64 LEU H H 8.562 0.002 1 641 64 64 LEU HA H 4.050 0.003 1 642 64 64 LEU HB2 H 1.997 0.002 2 643 64 64 LEU HB3 H 1.293 0.003 2 644 64 64 LEU HD1 H 0.859 0.003 2 645 64 64 LEU HD2 H 0.805 0.070 2 646 64 64 LEU HG H 2.005 0.007 1 647 64 64 LEU C C 179.224 0.070 1 648 64 64 LEU CA C 58.035 0.070 1 649 64 64 LEU CB C 40.502 0.044 1 650 64 64 LEU CD1 C 25.303 0.054 2 651 64 64 LEU CD2 C 22.631 0.070 2 652 64 64 LEU CG C 26.983 0.023 1 653 64 64 LEU N N 119.068 0.016 1 654 65 65 MET H H 8.874 0.002 1 655 65 65 MET HA H 3.984 0.009 1 656 65 65 MET HB2 H 2.192 0.003 2 657 65 65 MET HB3 H 2.037 0.007 2 658 65 65 MET HE H 2.038 0.003 1 659 65 65 MET HG2 H 2.737 0.003 2 660 65 65 MET HG3 H 2.566 0.003 2 661 65 65 MET C C 179.409 0.070 1 662 65 65 MET CA C 58.890 0.006 1 663 65 65 MET CB C 32.038 0.055 1 664 65 65 MET CE C 17.086 0.072 1 665 65 65 MET CG C 33.642 0.072 1 666 65 65 MET N N 118.627 0.019 1 667 66 66 ALA H H 7.411 0.005 1 668 66 66 ALA HA H 4.221 0.004 1 669 66 66 ALA HB H 1.524 0.004 1 670 66 66 ALA C C 179.915 0.070 1 671 66 66 ALA CA C 54.722 0.009 1 672 66 66 ALA CB C 17.956 0.028 1 673 66 66 ALA N N 120.547 0.033 1 674 67 67 LYS H H 7.504 0.003 1 675 67 67 LYS HA H 4.330 0.003 1 676 67 67 LYS HB2 H 2.066 0.006 2 677 67 67 LYS HB3 H 1.992 0.006 2 678 67 67 LYS HD2 H 1.680 0.003 2 679 67 67 LYS HE2 H 2.953 0.003 2 680 67 67 LYS HG2 H 1.766 0.002 2 681 67 67 LYS HG3 H 1.561 0.001 2 682 67 67 LYS C C 178.862 0.070 1 683 67 67 LYS CA C 58.040 0.043 1 684 67 67 LYS CB C 33.371 0.062 1 685 67 67 LYS CD C 29.754 0.061 1 686 67 67 LYS CE C 41.994 0.078 1 687 67 67 LYS CG C 25.519 0.009 1 688 67 67 LYS N N 117.275 0.016 1 689 68 68 LEU H H 7.880 0.003 1 690 68 68 LEU HA H 3.979 0.004 1 691 68 68 LEU HB2 H 1.764 0.003 2 692 68 68 LEU HB3 H 1.661 0.005 2 693 68 68 LEU HD1 H 0.904 0.003 2 694 68 68 LEU HD1 H 0.824 0.003 2 695 68 68 LEU HG H 1.755 0.003 1 696 68 68 LEU C C 178.174 0.070 1 697 68 68 LEU CA C 57.578 0.036 1 698 68 68 LEU CB C 41.732 0.048 1 699 68 68 LEU CD1 C 25.477 0.090 2 700 68 68 LEU CD2 C 25.723 0.100 2 701 68 68 LEU CG C 26.798 0.090 1 702 68 68 LEU N N 120.156 0.022 1 703 69 69 ALA H H 7.499 0.002 1 704 69 69 ALA HA H 4.065 0.004 1 705 69 69 ALA HB H 1.445 0.003 1 706 69 69 ALA C C 178.334 0.070 1 707 69 69 ALA CA C 55.093 0.019 1 708 69 69 ALA CB C 18.245 0.074 1 709 69 69 ALA N N 119.762 0.023 1 710 70 70 ASP H H 7.357 0.002 1 711 70 70 ASP HA H 4.865 0.006 1 712 70 70 ASP HB2 H 2.951 0.006 2 713 70 70 ASP HB3 H 2.538 0.009 2 714 70 70 ASP C C 175.714 0.070 1 715 70 70 ASP CA C 53.636 0.010 1 716 70 70 ASP CB C 41.725 0.089 1 717 70 70 ASP N N 114.445 0.035 1 718 71 71 PHE H H 7.557 0.002 1 719 71 71 PHE HA H 4.494 0.005 1 720 71 71 PHE HB2 H 3.325 0.003 2 721 71 71 PHE HB3 H 2.995 0.003 2 722 71 71 PHE HD1 H 7.191 0.006 3 723 71 71 PHE HE1 H 6.941 0.003 3 724 71 71 PHE C C 175.767 0.070 1 725 71 71 PHE CA C 58.844 0.011 1 726 71 71 PHE CB C 40.199 0.040 1 727 71 71 PHE CD1 C 131.645 0.070 3 728 71 71 PHE CE1 C 129.688 0.070 3 729 71 71 PHE N N 122.394 0.025 1 730 72 72 ALA H H 8.588 0.003 1 731 72 72 ALA HA H 3.480 0.004 1 732 72 72 ALA HB H 0.978 0.002 1 733 72 72 ALA C C 176.432 0.070 1 734 72 72 ALA CA C 53.175 0.007 1 735 72 72 ALA CB C 17.251 0.053 1 736 72 72 ALA N N 125.048 0.042 1 737 73 73 VAL H H 7.305 0.001 1 738 73 73 VAL HA H 3.896 0.003 1 739 73 73 VAL HB H 2.052 0.002 1 740 73 73 VAL HG1 H 0.920 0.005 2 741 73 73 VAL C C 176.637 0.070 1 742 73 73 VAL CA C 63.368 0.086 1 743 73 73 VAL CB C 31.836 0.090 1 744 73 73 VAL CG1 C 21.255 0.067 2 745 73 73 VAL N N 119.051 0.023 1 746 74 74 GLU H H 8.612 0.003 1 747 74 74 GLU HA H 4.280 0.002 1 748 74 74 GLU HB2 H 1.978 0.002 2 749 74 74 GLU HG2 H 2.321 0.008 2 750 74 74 GLU C C 175.633 0.070 1 751 74 74 GLU CA C 57.277 0.056 1 752 74 74 GLU CB C 29.929 0.073 1 753 74 74 GLU CG C 35.883 0.010 1 754 74 74 GLU N N 128.291 0.018 1 755 75 75 GLN H H 8.293 0.002 1 756 75 75 GLN HA H 4.653 0.004 1 757 75 75 GLN HB2 H 2.163 0.012 2 758 75 75 GLN HB3 H 1.995 0.005 2 759 75 75 GLN HE21 H 7.551 0.003 2 760 75 75 GLN HE22 H 6.949 0.003 2 761 75 75 GLN HG2 H 2.358 0.070 2 762 75 75 GLN HG3 H 2.305 0.070 2 763 75 75 GLN C C 174.542 0.070 1 764 75 75 GLN CA C 54.563 0.010 1 765 75 75 GLN CB C 31.998 0.052 1 766 75 75 GLN CG C 33.419 0.013 1 767 75 75 GLN N N 123.495 0.017 1 768 75 75 GLN NE2 N 112.092 0.040 1 769 76 76 GLU H H 8.477 0.005 1 770 76 76 GLU HA H 4.230 0.004 1 771 76 76 GLU HB2 H 1.932 0.004 2 772 76 76 GLU HG2 H 2.232 0.005 2 773 76 76 GLU HG3 H 2.195 0.070 2 774 76 76 GLU C C 175.796 0.070 1 775 76 76 GLU CA C 57.157 0.015 1 776 76 76 GLU CB C 30.073 0.031 1 777 76 76 GLU N N 120.713 0.036 1 778 77 77 VAL H H 8.225 0.004 1 779 77 77 VAL HA H 4.550 0.004 1 780 77 77 VAL HB H 1.905 0.006 1 781 77 77 VAL HG1 H 0.844 0.004 2 782 77 77 VAL HG2 H 0.738 0.006 2 783 77 77 VAL C C 174.706 0.070 1 784 77 77 VAL CA C 61.021 0.033 1 785 77 77 VAL CB C 34.509 0.071 1 786 77 77 VAL CG1 C 22.231 0.070 2 787 77 77 VAL CG2 C 23.125 0.050 2 788 77 77 VAL N N 124.292 0.033 1 789 78 78 THR H H 9.358 0.003 1 790 78 78 THR HA H 4.562 0.006 1 791 78 78 THR HB H 4.112 0.003 1 792 78 78 THR HG2 H 1.141 0.003 1 793 78 78 THR C C 173.002 0.070 1 794 78 78 THR CA C 59.120 0.001 1 795 78 78 THR CB C 72.014 0.079 1 796 78 78 THR CG2 C 20.228 0.033 1 797 78 78 THR N N 120.358 0.017 1 798 79 79 ALA H H 8.192 0.004 1 799 79 79 ALA HA H 3.804 0.004 1 800 79 79 ALA HB H 1.347 0.005 1 801 79 79 ALA C C 178.347 0.070 1 802 79 79 ALA CA C 53.790 0.053 1 803 79 79 ALA CB C 17.953 0.021 1 804 79 79 ALA N N 122.449 0.015 1 805 80 80 GLY H H 8.800 0.004 1 806 80 80 GLY HA2 H 4.504 0.009 2 807 80 80 GLY HA3 H 3.788 0.010 2 808 80 80 GLY C C 175.416 0.070 1 809 80 80 GLY CA C 45.054 0.040 1 810 80 80 GLY N N 112.689 0.042 1 811 81 81 ASP H H 7.810 0.004 1 812 81 81 ASP HA H 4.864 0.004 1 813 81 81 ASP HB2 H 2.998 0.007 2 814 81 81 ASP HB3 H 2.550 0.007 2 815 81 81 ASP C C 173.702 0.070 1 816 81 81 ASP CA C 54.772 0.070 1 817 81 81 ASP CB C 42.895 0.059 1 818 81 81 ASP N N 120.899 0.040 1 819 82 82 ARG H H 8.195 0.005 1 820 82 82 ARG HA H 5.444 0.004 1 821 82 82 ARG HB2 H 1.733 0.007 2 822 82 82 ARG HD2 H 3.012 0.006 2 823 82 82 ARG HD3 H 2.813 0.002 2 824 82 82 ARG HG2 H 1.670 0.070 2 825 82 82 ARG C C 175.646 0.070 1 826 82 82 ARG CA C 55.142 0.034 1 827 82 82 ARG CB C 34.980 0.049 1 828 82 82 ARG CD C 43.898 0.011 1 829 82 82 ARG CG C 28.519 0.070 1 830 82 82 ARG N N 115.511 0.031 1 831 83 83 VAL H H 8.468 0.005 1 832 83 83 VAL HA H 4.454 0.003 1 833 83 83 VAL HB H 1.220 0.003 1 834 83 83 VAL HG1 H 0.457 0.006 2 835 83 83 VAL HG2 H 0.347 0.005 2 836 83 83 VAL C C 173.871 0.070 1 837 83 83 VAL CA C 60.195 0.018 1 838 83 83 VAL CB C 37.602 0.037 1 839 83 83 VAL CG1 C 20.382 0.070 2 840 83 83 VAL CG2 C 22.669 0.055 2 841 83 83 VAL N N 120.001 0.036 1 842 84 84 VAL H H 8.469 0.002 1 843 84 84 VAL HA H 5.258 0.003 1 844 84 84 VAL HB H 2.539 0.004 1 845 84 84 VAL HG1 H 1.170 0.003 2 846 84 84 VAL HG2 H 0.947 0.004 2 847 84 84 VAL C C 172.589 0.070 1 848 84 84 VAL CA C 58.654 0.034 1 849 84 84 VAL CB C 33.294 0.067 1 850 84 84 VAL CG1 C 20.776 0.027 2 851 84 84 VAL CG2 C 23.628 0.024 2 852 84 84 VAL N N 124.454 0.020 1 853 85 85 VAL H H 9.187 0.003 1 854 85 85 VAL HA H 4.795 0.004 1 855 85 85 VAL HB H 1.807 0.006 1 856 85 85 VAL HG1 H 0.784 0.003 2 857 85 85 VAL HG2 H 0.683 0.002 2 858 85 85 VAL C C 174.230 0.070 1 859 85 85 VAL CA C 60.575 0.031 1 860 85 85 VAL CB C 32.132 0.044 1 861 85 85 VAL CG1 C 22.596 0.070 2 862 85 85 VAL N N 128.830 0.012 1 863 86 86 ILE H H 8.768 0.008 1 864 86 86 ILE HA H 4.142 0.003 1 865 86 86 ILE HB H 1.686 0.002 1 866 86 86 ILE HD1 H 0.443 0.004 1 867 86 86 ILE HG12 H 1.069 0.001 2 868 86 86 ILE HG13 H 0.752 0.001 2 869 86 86 ILE HG2 H 0.588 0.003 1 870 86 86 ILE C C 174.230 0.070 1 871 86 86 ILE CA C 64.119 0.045 1 872 86 86 ILE CB C 38.010 0.022 1 873 86 86 ILE CD1 C 13.520 0.030 1 874 86 86 ILE CG1 C 26.617 0.070 1 875 86 86 ILE CG2 C 18.849 0.044 1 876 86 86 ILE N N 118.572 0.070 1 877 87 87 ASP H H 8.472 0.001 1 878 87 87 ASP HA H 4.790 0.004 1 879 87 87 ASP C C 177.494 0.070 1 880 87 87 ASP N N 118.579 0.036 1 881 88 88 GLY H H 7.373 0.001 1 882 88 88 GLY HA2 H 3.895 0.008 2 883 88 88 GLY HA3 H 3.803 0.001 2 884 88 88 GLY C C 171.052 0.070 1 885 88 88 GLY CA C 44.263 0.029 1 886 88 88 GLY N N 108.125 0.026 1 887 89 89 LEU H H 8.251 0.002 1 888 89 89 LEU HA H 4.547 0.003 1 889 89 89 LEU HB2 H 1.627 0.004 2 890 89 89 LEU HB3 H 1.089 0.002 2 891 89 89 LEU HD1 H 1.085 0.002 2 892 89 89 LEU HD2 H 0.940 0.008 2 893 89 89 LEU HG H 1.784 0.006 1 894 89 89 LEU C C 175.603 0.070 1 895 89 89 LEU CA C 54.620 0.042 1 896 89 89 LEU CB C 46.283 0.083 1 897 89 89 LEU CD1 C 24.010 0.057 2 898 89 89 LEU CD2 C 27.797 0.065 2 899 89 89 LEU CG C 28.014 0.183 1 900 89 89 LEU N N 119.831 0.018 1 901 90 90 ASP H H 8.588 0.004 1 902 90 90 ASP HA H 4.641 0.070 1 903 90 90 ASP HB2 H 2.644 0.004 2 904 90 90 ASP HB3 H 2.590 0.003 2 905 90 90 ASP C C 174.909 0.070 1 906 90 90 ASP CA C 54.689 0.009 1 907 90 90 ASP CB C 42.132 0.021 1 908 90 90 ASP N N 124.000 0.037 1 909 91 91 ARG H H 7.399 0.002 1 910 91 91 ARG HA H 4.580 0.004 1 911 91 91 ARG HB2 H 1.894 0.037 2 912 91 91 ARG HB3 H 1.778 0.004 2 913 91 91 ARG HD2 H 3.197 0.005 2 914 91 91 ARG HG2 H 1.555 0.002 2 915 91 91 ARG HG3 H 1.458 0.004 2 916 91 91 ARG C C 173.087 0.070 1 917 91 91 ARG CA C 53.959 0.039 1 918 91 91 ARG CB C 32.728 0.060 1 919 91 91 ARG CD C 43.370 0.084 1 920 91 91 ARG CG C 25.677 0.002 1 921 91 91 ARG N N 116.006 0.024 1 922 92 92 MET H H 8.203 0.003 1 923 92 92 MET HA H 4.846 0.005 1 924 92 92 MET HB2 H 2.056 0.004 2 925 92 92 MET HB3 H 1.933 0.006 2 926 92 92 MET HE H 2.058 0.003 1 927 92 92 MET HG2 H 2.563 0.004 2 928 92 92 MET HG3 H 2.489 0.006 2 929 92 92 MET C C 175.928 0.070 1 930 92 92 MET CA C 56.612 0.033 1 931 92 92 MET CB C 33.818 0.071 1 932 92 92 MET CE C 16.788 0.061 1 933 92 92 MET CG C 31.540 0.044 1 934 92 92 MET N N 117.511 0.042 1 935 93 93 ALA H H 8.121 0.003 1 936 93 93 ALA HA H 4.803 0.008 1 937 93 93 ALA HB H 1.393 0.003 1 938 93 93 ALA C C 175.822 0.070 1 939 93 93 ALA CA C 51.161 0.004 1 940 93 93 ALA CB C 24.030 0.054 1 941 93 93 ALA N N 124.613 0.033 1 942 94 94 HIS H H 8.973 0.018 1 943 94 94 HIS HA H 4.284 0.003 1 944 94 94 HIS HB2 H 3.126 0.006 2 945 94 94 HIS HB3 H 3.021 0.005 2 946 94 94 HIS HD2 H 7.018 0.003 1 947 94 94 HIS HE1 H 7.883 0.070 1 948 94 94 HIS C C 173.689 0.070 1 949 94 94 HIS CA C 59.698 0.038 1 950 94 94 HIS CB C 30.317 0.104 1 951 94 94 HIS CD2 C 119.909 0.090 1 952 94 94 HIS CE1 C 137.585 0.070 1 953 94 94 HIS N N 121.334 0.025 1 954 95 95 PHE H H 8.537 0.005 1 955 95 95 PHE HA H 4.675 0.003 1 956 95 95 PHE HB2 H 2.896 0.003 2 957 95 95 PHE HB3 H 2.537 0.007 2 958 95 95 PHE HD1 H 6.978 0.007 3 959 95 95 PHE HE1 H 7.137 0.008 3 960 95 95 PHE C C 173.009 0.070 1 961 95 95 PHE CA C 57.421 0.070 1 962 95 95 PHE CB C 41.483 0.055 1 963 95 95 PHE CD1 C 131.147 0.013 3 964 95 95 PHE CE1 C 131.144 0.070 3 965 95 95 PHE N N 125.462 0.034 1 966 96 96 LYS H H 7.291 0.005 1 967 96 96 LYS HA H 4.190 0.002 1 968 96 96 LYS HB2 H 1.566 0.003 2 969 96 96 LYS HB3 H 1.410 0.005 2 970 96 96 LYS HD2 H 1.368 0.008 2 971 96 96 LYS HD3 H 1.354 0.070 2 972 96 96 LYS HE2 H 2.788 0.004 2 973 96 96 LYS HG2 H 1.029 0.004 2 974 96 96 LYS HG3 H 0.867 0.002 2 975 96 96 LYS C C 174.351 0.070 1 976 96 96 LYS CA C 55.415 0.037 1 977 96 96 LYS CB C 34.658 0.076 1 978 96 96 LYS CD C 29.548 0.029 1 979 96 96 LYS CE C 42.090 0.051 1 980 96 96 LYS CG C 23.818 0.026 1 981 96 96 LYS N N 114.056 0.046 1 982 97 97 ASP H H 9.123 0.003 1 983 97 97 ASP HA H 4.244 0.001 1 984 97 97 ASP HB2 H 2.786 0.003 2 985 97 97 ASP C C 175.095 0.070 1 986 97 97 ASP CA C 57.162 0.007 1 987 97 97 ASP CB C 39.134 0.069 1 988 97 97 ASP N N 121.281 0.039 1 989 98 98 ASP H H 8.729 0.003 1 990 98 98 ASP HA H 4.895 0.005 1 991 98 98 ASP HB2 H 3.186 0.002 2 992 98 98 ASP HB3 H 2.611 0.005 2 993 98 98 ASP C C 174.514 0.070 1 994 98 98 ASP CA C 53.153 0.070 1 995 98 98 ASP CB C 39.814 0.065 1 996 98 98 ASP N N 120.907 0.051 1 997 99 99 LEU H H 8.366 0.007 1 998 99 99 LEU HA H 5.269 0.004 1 999 99 99 LEU HB2 H 2.132 0.007 2 1000 99 99 LEU HB3 H 1.207 0.003 2 1001 99 99 LEU HD1 H 0.853 0.005 2 1002 99 99 LEU HD2 H 0.757 0.003 2 1003 99 99 LEU HG H 1.932 0.004 1 1004 99 99 LEU C C 176.470 0.070 1 1005 99 99 LEU CA C 53.643 0.028 1 1006 99 99 LEU CB C 44.721 0.067 1 1007 99 99 LEU CD1 C 26.013 0.034 2 1008 99 99 LEU CD2 C 22.810 0.017 2 1009 99 99 LEU CG C 26.090 0.071 1 1010 99 99 LEU N N 117.913 0.025 1 1011 100 100 VAL H H 9.435 0.002 1 1012 100 100 VAL HA H 4.540 0.003 1 1013 100 100 VAL HB H 1.814 0.004 1 1014 100 100 VAL HG1 H 0.694 0.003 2 1015 100 100 VAL HG2 H 0.657 0.003 2 1016 100 100 VAL C C 174.209 0.070 1 1017 100 100 VAL CA C 59.914 0.136 1 1018 100 100 VAL CB C 35.312 0.062 1 1019 100 100 VAL CG1 C 21.375 0.039 2 1020 100 100 VAL CG2 C 20.279 0.055 2 1021 100 100 VAL N N 120.181 0.046 1 1022 101 101 LEU H H 8.958 0.003 1 1023 101 101 LEU HA H 5.025 0.005 1 1024 101 101 LEU HB2 H 1.815 0.006 2 1025 101 101 LEU HB3 H 0.956 0.005 2 1026 101 101 LEU HD1 H 0.605 0.002 2 1027 101 101 LEU HD2 H 0.141 0.002 2 1028 101 101 LEU HG H 1.501 0.002 1 1029 101 101 LEU C C 176.117 0.070 1 1030 101 101 LEU CA C 52.902 0.177 1 1031 101 101 LEU CB C 43.061 0.060 1 1032 101 101 LEU CD1 C 26.677 0.064 2 1033 101 101 LEU CD2 C 23.566 0.048 2 1034 101 101 LEU CG C 26.947 0.036 1 1035 101 101 LEU N N 119.876 0.037 1 1036 102 102 VAL H H 8.890 0.003 1 1037 102 102 VAL HA H 4.429 0.004 1 1038 102 102 VAL HB H 1.945 0.003 1 1039 102 102 VAL HG1 H 0.891 0.001 2 1040 102 102 VAL HG2 H 0.877 0.070 2 1041 102 102 VAL CA C 58.990 0.070 1 1042 102 102 VAL CB C 34.166 0.083 1 1043 102 102 VAL CG1 C 21.144 0.070 2 1044 102 102 VAL CG2 C 21.355 0.070 2 1045 102 102 VAL N N 120.964 0.039 1 1046 103 103 PRO HA H 4.284 0.003 1 1047 103 103 PRO HB2 H 2.073 0.003 2 1048 103 103 PRO HB3 H 1.828 0.008 2 1049 103 103 PRO HD2 H 3.601 0.007 2 1050 103 103 PRO HD3 H 3.556 0.011 2 1051 103 103 PRO HG2 H 1.714 0.002 2 1052 103 103 PRO HG3 H 1.425 0.004 2 1053 103 103 PRO C C 175.423 0.070 1 1054 103 103 PRO CA C 64.517 0.053 1 1055 103 103 PRO CB C 32.933 0.058 1 1056 103 103 PRO CD C 51.760 0.029 1 1057 103 103 PRO CG C 27.840 0.064 1 1058 104 104 LEU H H 9.310 0.004 1 1059 104 104 LEU HA H 4.671 0.003 1 1060 104 104 LEU HB2 H 1.595 0.004 2 1061 104 104 LEU HD1 H 0.831 0.002 2 1062 104 104 LEU HD2 H 0.804 0.070 2 1063 104 104 LEU HG H 1.682 0.003 1 1064 104 104 LEU C C 176.986 0.070 1 1065 104 104 LEU CA C 56.250 0.008 1 1066 104 104 LEU CB C 43.867 0.039 1 1067 104 104 LEU CD1 C 23.973 0.070 2 1068 104 104 LEU CD2 C 23.861 0.070 2 1069 104 104 LEU CG C 26.621 0.059 1 1070 104 104 LEU N N 125.367 0.045 1 1071 105 105 THR H H 7.417 0.004 1 1072 105 105 THR HA H 4.635 0.007 1 1073 105 105 THR HB H 4.065 0.002 1 1074 105 105 THR HG2 H 1.292 0.002 1 1075 105 105 THR C C 171.984 0.070 1 1076 105 105 THR CA C 61.645 0.039 1 1077 105 105 THR CB C 71.436 0.044 1 1078 105 105 THR CG2 C 21.749 0.060 1 1079 105 105 THR N N 112.680 0.042 1 1080 106 106 THR H H 8.569 0.006 1 1081 106 106 THR HA H 5.663 0.004 1 1082 106 106 THR HB H 3.801 0.003 1 1083 106 106 THR HG2 H 0.971 0.004 1 1084 106 106 THR C C 173.408 0.070 1 1085 106 106 THR CA C 61.453 0.094 1 1086 106 106 THR CB C 71.137 0.054 1 1087 106 106 THR CG2 C 21.442 0.031 1 1088 106 106 THR N N 124.371 0.071 1 1089 107 107 LYS H H 8.455 0.003 1 1090 107 107 LYS HA H 4.263 0.003 1 1091 107 107 LYS HB2 H 0.922 0.003 2 1092 107 107 LYS HB3 H 0.156 0.003 2 1093 107 107 LYS HD2 H 1.304 0.004 2 1094 107 107 LYS HD3 H 1.044 0.004 2 1095 107 107 LYS HE2 H 2.727 0.002 2 1096 107 107 LYS HE3 H 2.604 0.002 2 1097 107 107 LYS HG2 H 0.915 0.005 2 1098 107 107 LYS HG3 H 0.585 0.007 2 1099 107 107 LYS C C 173.974 0.070 1 1100 107 107 LYS CA C 54.813 0.065 1 1101 107 107 LYS CB C 35.911 0.049 1 1102 107 107 LYS CD C 28.530 0.050 1 1103 107 107 LYS CE C 42.125 0.022 1 1104 107 107 LYS CG C 25.579 0.060 1 1105 107 107 LYS N N 127.307 0.022 1 1106 108 108 VAL H H 8.126 0.002 1 1107 108 108 VAL HA H 4.326 0.004 1 1108 108 108 VAL HB H 1.789 0.003 1 1109 108 108 VAL HG1 H 0.755 0.009 2 1110 108 108 VAL HG2 H 0.617 0.006 2 1111 108 108 VAL C C 175.803 0.070 1 1112 108 108 VAL CA C 62.496 0.049 1 1113 108 108 VAL CB C 31.546 0.092 1 1114 108 108 VAL CG1 C 21.488 0.069 2 1115 108 108 VAL CG2 C 21.015 0.039 2 1116 108 108 VAL N N 121.491 0.047 1 1117 109 109 VAL H H 8.725 0.002 1 1118 109 109 VAL HA H 4.178 0.002 1 1119 109 109 VAL HB H 2.045 0.001 1 1120 109 109 VAL HG1 H 0.967 0.005 2 1121 109 109 VAL HG2 H 0.806 0.003 2 1122 109 109 VAL C C 176.475 0.070 1 1123 109 109 VAL CA C 61.296 0.032 1 1124 109 109 VAL CB C 34.785 0.070 1 1125 109 109 VAL CG1 C 21.100 0.021 2 1126 109 109 VAL CG2 C 20.948 0.042 2 1127 109 109 VAL N N 128.384 0.020 1 1128 110 110 GLY H H 9.177 0.004 1 1129 110 110 GLY HA2 H 3.765 0.003 2 1130 110 110 GLY C C 175.385 0.070 1 1131 110 110 GLY CA C 47.344 0.073 1 1132 110 110 GLY N N 116.611 0.017 1 1133 111 111 GLY H H 8.196 0.003 1 1134 111 111 GLY HA2 H 4.173 0.005 2 1135 111 111 GLY HA3 H 3.566 0.002 2 1136 111 111 GLY C C 173.850 0.070 1 1137 111 111 GLY CA C 45.068 0.035 1 1138 111 111 GLY N N 105.373 0.041 1 1139 112 112 SER H H 7.786 0.004 1 1140 112 112 SER HA H 4.842 0.005 1 1141 112 112 SER HB2 H 3.949 0.004 2 1142 112 112 SER HB3 H 3.843 0.005 2 1143 112 112 SER C C 173.040 0.070 1 1144 112 112 SER CA C 57.233 0.063 1 1145 112 112 SER CB C 65.484 0.103 1 1146 112 112 SER N N 116.221 0.025 1 1147 113 113 ARG H H 8.895 0.004 1 1148 113 113 ARG HA H 4.062 0.003 1 1149 113 113 ARG HB2 H 1.461 0.003 2 1150 113 113 ARG HB3 H 1.514 0.009 2 1151 113 113 ARG HD2 H 3.101 0.001 2 1152 113 113 ARG HD3 H 3.122 0.070 2 1153 113 113 ARG HG2 H 1.422 0.070 2 1154 113 113 ARG HG3 H 1.236 0.009 2 1155 113 113 ARG C C 173.965 0.090 1 1156 113 113 ARG CA C 57.984 0.049 1 1157 113 113 ARG CB C 31.369 0.090 1 1158 113 113 ARG CD C 43.550 0.011 1 1159 113 113 ARG CG C 28.483 0.019 1 1160 113 113 ARG N N 127.032 0.032 1 1161 114 114 CYS H H 8.479 0.003 1 1162 114 114 CYS HA H 4.995 0.011 1 1163 114 114 CYS HB2 H 3.124 0.004 2 1164 114 114 CYS HB3 H 2.894 0.003 2 1165 114 114 CYS C C 173.503 0.070 1 1166 114 114 CYS CA C 58.190 0.064 1 1167 114 114 CYS CB C 29.541 0.051 1 1168 114 114 CYS N N 121.136 0.039 1 1169 115 115 THR H H 8.707 0.004 1 1170 115 115 THR HA H 5.571 0.008 1 1171 115 115 THR HB H 3.576 0.005 1 1172 115 115 THR HG2 H 1.391 0.003 1 1173 115 115 THR C C 175.088 0.070 1 1174 115 115 THR CA C 61.430 0.074 1 1175 115 115 THR CB C 71.890 0.043 1 1176 115 115 THR CG2 C 22.565 0.028 1 1177 115 115 THR N N 121.969 0.029 1 1178 116 116 ILE H H 9.234 0.003 1 1179 116 116 ILE HA H 4.291 0.004 1 1180 116 116 ILE HB H 1.781 0.003 1 1181 116 116 ILE HD1 H 0.419 0.003 1 1182 116 116 ILE HG12 H 1.674 0.004 2 1183 116 116 ILE HG13 H 0.712 0.006 2 1184 116 116 ILE HG2 H 0.822 0.002 1 1185 116 116 ILE C C 174.894 0.070 1 1186 116 116 ILE CA C 62.674 0.027 1 1187 116 116 ILE CB C 39.171 0.065 1 1188 116 116 ILE CD1 C 14.147 0.065 1 1189 116 116 ILE CG1 C 28.419 0.022 1 1190 116 116 ILE CG2 C 18.074 0.050 1 1191 116 116 ILE N N 128.150 0.026 1 1192 117 117 CYS H H 9.284 0.003 1 1193 117 117 CYS HA H 5.130 0.004 1 1194 117 117 CYS HB2 H 2.674 0.005 2 1195 117 117 CYS HB3 H 2.366 0.004 2 1196 117 117 CYS C C 174.508 0.070 1 1197 117 117 CYS CA C 49.986 14.816 1 1198 117 117 CYS CB C 31.519 0.039 1 1199 117 117 CYS N N 124.601 0.036 1 1200 118 118 ASP H H 8.590 0.003 1 1201 118 118 ASP HA H 5.011 0.006 1 1202 118 118 ASP HB2 H 2.492 0.006 2 1203 118 118 ASP HB3 H 2.382 0.003 2 1204 118 118 ASP C C 175.398 0.070 1 1205 118 118 ASP CA C 54.685 0.089 1 1206 118 118 ASP CB C 43.298 0.036 1 1207 118 118 ASP N N 122.500 0.021 1 1208 119 119 VAL H H 8.130 0.003 1 1209 119 119 VAL HA H 4.616 0.006 1 1210 119 119 VAL HB H 2.009 0.002 1 1211 119 119 VAL HG1 H 0.611 0.003 2 1212 119 119 VAL HG2 H 0.369 0.003 2 1213 119 119 VAL C C 176.111 0.070 1 1214 119 119 VAL CA C 61.785 0.033 1 1215 119 119 VAL CB C 31.258 0.068 1 1216 119 119 VAL CG1 C 24.190 0.052 2 1217 119 119 VAL CG2 C 21.706 0.043 2 1218 119 119 VAL N N 121.287 0.091 1 1219 120 120 VAL H H 9.213 0.003 1 1220 120 120 VAL HA H 4.584 0.003 1 1221 120 120 VAL HB H 1.958 0.002 1 1222 120 120 VAL HG1 H 0.883 0.005 2 1223 120 120 VAL HG2 H 0.747 0.004 2 1224 120 120 VAL C C 174.062 0.070 1 1225 120 120 VAL CA C 59.881 0.103 1 1226 120 120 VAL CB C 35.732 0.057 1 1227 120 120 VAL CG1 C 21.136 0.037 2 1228 120 120 VAL CG2 C 20.768 0.025 2 1229 120 120 VAL N N 127.239 0.034 1 1230 121 121 LYS H H 8.523 0.004 1 1231 121 121 LYS HA H 4.767 0.007 1 1232 121 121 LYS HB2 H 1.789 0.003 2 1233 121 121 LYS HB3 H 1.580 0.004 2 1234 121 121 LYS HD2 H 1.699 0.070 2 1235 121 121 LYS HD3 H 1.649 0.070 2 1236 121 121 LYS HE2 H 2.996 0.002 2 1237 121 121 LYS HG2 H 1.446 0.005 2 1238 121 121 LYS HG3 H 1.381 0.004 2 1239 121 121 LYS C C 176.800 0.070 1 1240 121 121 LYS CA C 56.081 0.070 1 1241 121 121 LYS CB C 33.692 0.033 1 1242 121 121 LYS CD C 29.441 0.009 1 1243 121 121 LYS CE C 42.123 0.031 1 1244 121 121 LYS CG C 25.098 0.054 1 1245 121 121 LYS N N 124.146 0.035 1 1246 122 122 GLU H H 8.819 0.003 1 1247 122 122 GLU HA H 4.178 0.002 1 1248 122 122 GLU HB2 H 1.980 0.010 2 1249 122 122 GLU HB3 H 1.868 0.070 2 1250 122 122 GLU HG2 H 2.202 0.040 2 1251 122 122 GLU C C 175.025 0.070 1 1252 122 122 GLU CA C 57.076 0.037 1 1253 122 122 GLU CB C 30.745 0.065 1 1254 122 122 GLU CG C 36.499 0.065 1 1255 122 122 GLU N N 127.048 0.029 1 1256 123 123 GLU H H 8.031 0.002 1 1257 123 123 GLU HA H 4.146 0.070 1 1258 123 123 GLU HB2 H 2.013 0.001 2 1259 123 123 GLU HB3 H 1.871 0.001 2 1260 123 123 GLU HG2 H 2.192 0.006 2 1261 123 123 GLU CA C 58.129 0.070 1 1262 123 123 GLU CB C 31.498 0.027 1 1263 123 123 GLU CG C 36.592 0.126 1 1264 123 123 GLU N N 128.986 0.060 1 stop_ save_