data_19111 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; USP25 ; _BMRB_accession_number 19111 _BMRB_flat_file_name bmr19111.str _Entry_type original _Submission_date 2013-03-27 _Accession_date 2013-03-27 _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 Shi Li . . 2 Zhang Naixia . . 3 Wen Yi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 787 "13C chemical shifts" 603 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-16 original author . stop_ _Original_release_date 2013-08-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N backbone and side-chain resonance assignments of the N-terminal ubiquitin-binding domains of USP25.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23754700 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shi Li . . 2 Wen Yi . . 3 Zhang Naixia . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name USP25 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label USP25 $USP25 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_USP25 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common USP25 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MTVEQNVLQQSAAQKHQQTF LNQLREITGINDTQILQQAL KDSNGNLELAVAFLTAKNAK TPQQEETTYYQTALPGNDRY ISVGSQADTNVIDLTGDDKD DLQRAIALSLAESNRAFRET GITDEEQAISRVLEASIAEN KACLKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 MET 2 -19 GLY 3 -18 SER 4 -17 SER 5 -16 HIS 6 -15 HIS 7 -14 HIS 8 -13 HIS 9 -12 HIS 10 -11 HIS 11 -10 SER 12 -9 SER 13 -8 GLY 14 -7 LEU 15 -6 VAL 16 -5 PRO 17 -4 ARG 18 -3 GLY 19 -2 SER 20 -1 HIS 21 0 MET 22 1 THR 23 2 VAL 24 3 GLU 25 4 GLN 26 5 ASN 27 6 VAL 28 7 LEU 29 8 GLN 30 9 GLN 31 10 SER 32 11 ALA 33 12 ALA 34 13 GLN 35 14 LYS 36 15 HIS 37 16 GLN 38 17 GLN 39 18 THR 40 19 PHE 41 20 LEU 42 21 ASN 43 22 GLN 44 23 LEU 45 24 ARG 46 25 GLU 47 26 ILE 48 27 THR 49 28 GLY 50 29 ILE 51 30 ASN 52 31 ASP 53 32 THR 54 33 GLN 55 34 ILE 56 35 LEU 57 36 GLN 58 37 GLN 59 38 ALA 60 39 LEU 61 40 LYS 62 41 ASP 63 42 SER 64 43 ASN 65 44 GLY 66 45 ASN 67 46 LEU 68 47 GLU 69 48 LEU 70 49 ALA 71 50 VAL 72 51 ALA 73 52 PHE 74 53 LEU 75 54 THR 76 55 ALA 77 56 LYS 78 57 ASN 79 58 ALA 80 59 LYS 81 60 THR 82 61 PRO 83 62 GLN 84 63 GLN 85 64 GLU 86 65 GLU 87 66 THR 88 67 THR 89 68 TYR 90 69 TYR 91 70 GLN 92 71 THR 93 72 ALA 94 73 LEU 95 74 PRO 96 75 GLY 97 76 ASN 98 77 ASP 99 78 ARG 100 79 TYR 101 80 ILE 102 81 SER 103 82 VAL 104 83 GLY 105 84 SER 106 85 GLN 107 86 ALA 108 87 ASP 109 88 THR 110 89 ASN 111 90 VAL 112 91 ILE 113 92 ASP 114 93 LEU 115 94 THR 116 95 GLY 117 96 ASP 118 97 ASP 119 98 LYS 120 99 ASP 121 100 ASP 122 101 LEU 123 102 GLN 124 103 ARG 125 104 ALA 126 105 ILE 127 106 ALA 128 107 LEU 129 108 SER 130 109 LEU 131 110 ALA 132 111 GLU 133 112 SER 134 113 ASN 135 114 ARG 136 115 ALA 137 116 PHE 138 117 ARG 139 118 GLU 140 119 THR 141 120 GLY 142 121 ILE 143 122 THR 144 123 ASP 145 124 GLU 146 125 GLU 147 126 GLN 148 127 ALA 149 128 ILE 150 129 SER 151 130 ARG 152 131 VAL 153 132 LEU 154 133 GLU 155 134 ALA 156 135 SER 157 136 ILE 158 137 ALA 159 138 GLU 160 139 ASN 161 140 LYS 162 141 ALA 163 142 CYS 164 143 LEU 165 144 LYS 166 145 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 DBJ BAB27849 "unnamed protein product [Mus musculus]" 87.95 160 97.26 97.26 8.96e-96 DBJ BAC29438 "unnamed protein product [Mus musculus]" 87.95 311 97.26 97.26 6.41e-94 GB AAF24998 "ubiquitin-specific protease [Homo sapiens]" 87.95 1055 100.00 100.00 1.39e-90 GB AAF32263 "ubiquitin-specific processing protease [Homo sapiens]" 87.95 1087 100.00 100.00 1.95e-90 GB AAF32264 "ubiquitin-specific processing protease [Mus musculus]" 87.95 1055 97.26 97.26 3.36e-87 GB AAH15930 "USP25 protein [Homo sapiens]" 87.95 450 100.00 100.00 3.18e-95 GB AAH48171 "Ubiquitin specific peptidase 25 [Mus musculus]" 87.95 1055 97.26 97.26 3.04e-87 REF NP_001269970 "ubiquitin carboxyl-terminal hydrolase 25 isoform USP25m [Homo sapiens]" 87.95 1125 100.00 100.00 2.23e-90 REF NP_001269971 "ubiquitin carboxyl-terminal hydrolase 25 isoform USP25b [Homo sapiens]" 87.95 1087 100.00 100.00 1.95e-90 REF NP_037528 "ubiquitin carboxyl-terminal hydrolase 25 isoform USP25a [Homo sapiens]" 87.95 1055 100.00 100.00 1.39e-90 REF NP_038946 "ubiquitin carboxyl-terminal hydrolase 25 [Mus musculus]" 87.95 1055 97.26 97.26 3.04e-87 REF XP_001155737 "PREDICTED: ubiquitin carboxyl-terminal hydrolase 25 isoform X3 [Pan troglodytes]" 87.95 1055 100.00 100.00 1.26e-90 SP P57080 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 25; AltName: Full=Deubiquitinating enzyme 25; AltName: Full=Ubiquitin thioe" 87.95 1055 97.26 97.26 3.04e-87 SP Q9UHP3 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 25; AltName: Full=Deubiquitinating enzyme 25; AltName: Full=USP on chromoso" 87.95 1055 100.00 100.00 1.39e-90 TPG DAA33643 "TPA: ubiquitin specific peptidase 25 [Bos taurus]" 80.12 1055 97.74 99.25 4.16e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $USP25 Humans 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $USP25 'recombinant technology' . Escherichia coli . pET28a 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 $USP25 0.6 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $USP25 0.8 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $USP25 0.8 mM '[U-99% 13C]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 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_3 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 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' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.7 na indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1.000000000 water N 15 protons ppm 4.7 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' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCACO' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D HBHA(CO)NH' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name USP25 _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 -9 12 SER H H 8.475 0.020 1 2 -9 12 SER C C 174.925 0.3 1 3 -9 12 SER CA C 58.683 0.3 1 4 -9 12 SER CB C 63.761 0.3 1 5 -9 12 SER N N 118.068 0.3 1 6 -8 13 GLY H H 8.380 0.020 1 7 -8 13 GLY C C 173.793 0.3 1 8 -8 13 GLY CA C 45.195 0.3 1 9 -8 13 GLY N N 110.467 0.3 1 10 -7 14 LEU H H 8.038 0.020 1 11 -7 14 LEU C C 177.127 0.3 1 12 -7 14 LEU CA C 55.059 0.3 1 13 -7 14 LEU CB C 42.423 0.3 1 14 -7 14 LEU N N 121.408 0.3 1 15 -6 15 VAL H H 8.091 0.020 1 16 -6 15 VAL C C 174.360 0.3 1 17 -6 15 VAL CA C 59.728 0.3 1 18 -6 15 VAL CB C 32.420 0.3 1 19 -6 15 VAL N N 122.503 0.3 1 20 -4 17 ARG H H 8.467 0.020 1 21 -4 17 ARG CA C 56.301 0.3 1 22 -4 17 ARG N N 121.891 0.3 1 23 -3 18 GLY H H 8.469 0.020 1 24 -3 18 GLY C C 174.177 0.3 1 25 -3 18 GLY CA C 45.195 0.3 1 26 -3 18 GLY N N 110.296 0.3 1 27 -1 20 HIS C C 174.891 0.3 1 28 -1 20 HIS CA C 55.894 0.3 1 29 -1 20 HIS CB C 30.086 0.3 1 30 1 21 MET H H 8.240 0.020 1 31 1 21 MET HA H 4.447 0.020 1 32 1 21 MET HB2 H 1.984 0.020 2 33 1 21 MET HB3 H 1.900 0.020 2 34 1 21 MET HG2 H 2.424 0.020 2 35 1 21 MET HG3 H 2.361 0.020 2 36 1 21 MET C C 176.046 0.3 1 37 1 21 MET CA C 55.537 0.3 1 38 1 21 MET CB C 32.640 0.3 1 39 1 21 MET CG C 31.579 0.3 1 40 1 21 MET N N 121.338 0.3 1 41 2 22 THR H H 8.204 0.020 1 42 2 22 THR HA H 4.333 0.020 1 43 2 22 THR HB H 4.208 0.020 1 44 2 22 THR HG2 H 1.146 0.020 1 45 2 22 THR C C 174.493 0.3 1 46 2 22 THR CA C 61.803 0.3 1 47 2 22 THR CB C 69.899 0.3 1 48 2 22 THR CG2 C 21.200 0.3 1 49 2 22 THR N N 115.858 0.3 1 50 3 23 VAL H H 8.221 0.020 1 51 3 23 VAL HA H 4.031 0.020 1 52 3 23 VAL HB H 2.021 0.020 1 53 3 23 VAL HG1 H 0.885 0.020 1 54 3 23 VAL HG2 H 0.885 0.020 1 55 3 23 VAL C C 176.244 0.3 1 56 3 23 VAL CA C 62.709 0.3 1 57 3 23 VAL CB C 32.503 0.3 1 58 3 23 VAL CG1 C 20.644 0.3 1 59 3 23 VAL CG2 C 20.644 0.3 1 60 3 23 VAL N N 122.248 0.3 1 61 4 24 GLU H H 8.500 0.020 1 62 4 24 GLU HA H 4.177 0.020 1 63 4 24 GLU HB2 H 1.969 0.020 2 64 4 24 GLU HB3 H 1.906 0.020 2 65 4 24 GLU HG2 H 2.214 0.020 1 66 4 24 GLU HG3 H 2.214 0.020 1 67 4 24 GLU C C 176.744 0.3 1 68 4 24 GLU CA C 57.072 0.3 1 69 4 24 GLU CB C 29.889 0.3 1 70 4 24 GLU CG C 35.956 0.3 1 71 4 24 GLU N N 124.001 0.3 1 72 5 25 GLN H H 8.348 0.020 1 73 5 25 GLN HA H 4.208 0.020 1 74 5 25 GLN HB2 H 2.030 0.020 2 75 5 25 GLN HB3 H 1.950 0.020 2 76 5 25 GLN HG2 H 2.309 0.020 2 77 5 25 GLN HG3 H 2.214 0.020 2 78 5 25 GLN C C 176.060 0.3 1 79 5 25 GLN CA C 56.294 0.3 1 80 5 25 GLN CB C 29.336 0.3 1 81 5 25 GLN CG C 33.475 0.3 1 82 5 25 GLN N N 120.950 0.3 1 83 6 26 ASN H H 8.479 0.020 1 84 6 26 ASN HA H 4.604 0.020 1 85 6 26 ASN HB2 H 2.822 0.020 2 86 6 26 ASN HB3 H 2.728 0.020 2 87 6 26 ASN HD21 H 6.892 0.020 1 88 6 26 ASN HD22 H 7.563 0.020 1 89 6 26 ASN C C 175.677 0.3 1 90 6 26 ASN CA C 53.794 0.3 1 91 6 26 ASN CB C 38.558 0.3 1 92 6 26 ASN N N 119.720 0.3 1 93 6 26 ASN ND2 N 112.653 0.3 1 94 7 27 VAL H H 8.071 0.020 1 95 7 27 VAL HA H 3.948 0.020 1 96 7 27 VAL HB H 2.047 0.020 1 97 7 27 VAL HG1 H 0.915 0.020 2 98 7 27 VAL HG2 H 0.863 0.020 2 99 7 27 VAL C C 176.811 0.3 1 100 7 27 VAL CA C 63.380 0.3 1 101 7 27 VAL CB C 31.920 0.3 1 102 7 27 VAL CG1 C 20.642 0.3 1 103 7 27 VAL CG2 C 20.629 0.3 1 104 7 27 VAL N N 120.157 0.3 1 105 8 28 LEU H H 8.147 0.020 1 106 8 28 LEU HA H 4.229 0.020 1 107 8 28 LEU HB2 H 1.635 0.020 2 108 8 28 LEU HB3 H 1.510 0.020 2 109 8 28 LEU HG H 1.589 0.020 1 110 8 28 LEU HD1 H 0.845 0.020 2 111 8 28 LEU HD2 H 0.803 0.020 2 112 8 28 LEU C C 177.942 0.3 1 113 8 28 LEU CA C 55.932 0.3 1 114 8 28 LEU CB C 41.892 0.3 1 115 8 28 LEU CG C 26.666 0.3 1 116 8 28 LEU CD1 C 24.474 0.3 1 117 8 28 LEU CD2 C 23.384 0.3 1 118 8 28 LEU N N 123.920 0.3 1 119 9 29 GLN H H 8.226 0.020 1 120 9 29 GLN HA H 4.208 0.020 1 121 9 29 GLN HB2 H 2.052 0.020 2 122 9 29 GLN HB3 H 1.952 0.020 2 123 9 29 GLN HG2 H 2.319 0.020 2 124 9 29 GLN HG3 H 2.214 0.020 2 125 9 29 GLN C C 176.575 0.3 1 126 9 29 GLN CA C 56.368 0.3 1 127 9 29 GLN CB C 28.806 0.3 1 128 9 29 GLN CG C 33.485 0.3 1 129 9 29 GLN N N 120.491 0.3 1 130 10 30 GLN H H 8.301 0.020 1 131 10 30 GLN HA H 4.260 0.020 1 132 10 30 GLN HB2 H 2.052 0.020 2 133 10 30 GLN HB3 H 1.979 0.020 2 134 10 30 GLN HG2 H 2.309 0.020 2 135 10 30 GLN HG3 H 2.225 0.020 2 136 10 30 GLN HE21 H 6.747 0.020 1 137 10 30 GLN HE22 H 7.177 0.020 1 138 10 30 GLN C C 176.658 0.3 1 139 10 30 GLN CA C 56.528 0.3 1 140 10 30 GLN CB C 29.306 0.3 1 141 10 30 GLN CG C 33.480 0.3 1 142 10 30 GLN N N 120.944 0.3 1 143 10 30 GLN NE2 N 110.617 0.3 1 144 11 31 SER H H 8.414 0.020 1 145 11 31 SER HA H 4.343 0.020 1 146 11 31 SER HB2 H 3.875 0.020 1 147 11 31 SER HB3 H 3.875 0.020 1 148 11 31 SER C C 175.160 0.3 1 149 11 31 SER CA C 58.784 0.3 1 150 11 31 SER CB C 63.814 0.3 1 151 11 31 SER N N 116.940 0.3 1 152 12 32 ALA H H 8.399 0.020 1 153 12 32 ALA HA H 4.125 0.020 1 154 12 32 ALA HB H 1.396 0.020 1 155 12 32 ALA C C 178.928 0.3 1 156 12 32 ALA CA C 54.053 0.3 1 157 12 32 ALA CB C 18.470 0.3 1 158 12 32 ALA N N 125.154 0.3 1 159 13 33 ALA H H 8.178 0.020 1 160 13 33 ALA HA H 4.167 0.020 1 161 13 33 ALA HB H 1.396 0.020 1 162 13 33 ALA C C 179.378 0.3 1 163 13 33 ALA CA C 53.960 0.3 1 164 13 33 ALA CB C 18.470 0.3 1 165 13 33 ALA N N 121.251 0.3 1 166 14 34 GLN H H 8.023 0.020 1 167 14 34 GLN HA H 4.226 0.020 1 168 14 34 GLN HB2 H 2.068 0.020 2 169 14 34 GLN HB3 H 1.963 0.020 2 170 14 34 GLN HG2 H 2.319 0.020 2 171 14 34 GLN HG3 H 2.228 0.020 2 172 14 34 GLN HE21 H 6.625 0.020 1 173 14 34 GLN HE22 H 7.120 0.020 1 174 14 34 GLN C C 177.627 0.3 1 175 14 34 GLN CA C 57.442 0.3 1 176 14 34 GLN CB C 28.639 0.3 1 177 14 34 GLN CG C 33.497 0.3 1 178 14 34 GLN N N 118.518 0.3 1 179 14 34 GLN NE2 N 109.806 0.3 1 180 15 35 LYS H H 8.161 0.020 1 181 15 35 LYS HA H 4.062 0.020 1 182 15 35 LYS HB2 H 1.750 0.020 1 183 15 35 LYS HB3 H 1.750 0.020 1 184 15 35 LYS HG2 H 1.376 0.020 1 185 15 35 LYS HG3 H 1.376 0.020 1 186 15 35 LYS HD2 H 1.607 0.020 1 187 15 35 LYS HD3 H 1.607 0.020 1 188 15 35 LYS HE2 H 2.927 0.020 1 189 15 35 LYS HE3 H 2.927 0.020 1 190 15 35 LYS C C 178.063 0.3 1 191 15 35 LYS CA C 58.361 0.3 1 192 15 35 LYS CB C 32.390 0.3 1 193 15 35 LYS CG C 24.468 0.3 1 194 15 35 LYS CD C 28.582 0.3 1 195 15 35 LYS CE C 41.453 0.3 1 196 15 35 LYS N N 120.934 0.3 1 197 16 36 HIS H H 8.201 0.020 1 198 16 36 HIS HA H 4.458 0.020 1 199 16 36 HIS HB2 H 3.115 0.020 1 200 16 36 HIS HB3 H 3.115 0.020 1 201 16 36 HIS C C 176.694 0.3 1 202 16 36 HIS CA C 57.828 0.3 1 203 16 36 HIS CB C 29.889 0.3 1 204 16 36 HIS N N 119.064 0.3 1 205 17 37 GLN H H 8.133 0.020 1 206 17 37 GLN HA H 4.146 0.020 1 207 17 37 GLN HB2 H 1.984 0.020 1 208 17 37 GLN HB3 H 1.984 0.020 1 209 17 37 GLN HG2 H 2.214 0.020 2 210 17 37 GLN HG3 H 2.309 0.020 2 211 17 37 GLN HE21 H 7.188 0.020 1 212 17 37 GLN HE22 H 6.706 0.020 1 213 17 37 GLN C C 177.120 0.3 1 214 17 37 GLN CA C 58.314 0.3 1 215 17 37 GLN CB C 28.550 0.3 1 216 17 37 GLN CG C 33.491 0.3 1 217 17 37 GLN N N 119.690 0.3 1 218 17 37 GLN NE2 N 110.615 0.3 1 219 18 38 GLN H H 8.305 0.020 1 220 18 38 GLN HA H 4.052 0.020 1 221 18 38 GLN HB2 H 2.104 0.020 1 222 18 38 GLN HB3 H 2.104 0.020 1 223 18 38 GLN HG2 H 2.382 0.020 2 224 18 38 GLN HG3 H 2.340 0.020 2 225 18 38 GLN C C 177.811 0.3 1 226 18 38 GLN CA C 58.171 0.3 1 227 18 38 GLN CB C 28.419 0.3 1 228 18 38 GLN CG C 33.751 0.3 1 229 18 38 GLN N N 118.962 0.3 1 230 19 39 THR H H 8.116 0.020 1 231 19 39 THR HA H 4.020 0.020 1 232 19 39 THR HB H 4.240 0.020 1 233 19 39 THR HG2 H 1.167 0.020 1 234 19 39 THR C C 176.058 0.3 1 235 19 39 THR CA C 65.326 0.3 1 236 19 39 THR CB C 69.096 0.3 1 237 19 39 THR CG2 C 21.194 0.3 1 238 19 39 THR N N 115.310 0.3 1 239 20 40 PHE H H 8.067 0.020 1 240 20 40 PHE HA H 4.323 0.020 1 241 20 40 PHE HB2 H 3.147 0.020 2 242 20 40 PHE HB3 H 3.042 0.020 2 243 20 40 PHE C C 177.380 0.3 1 244 20 40 PHE CA C 60.226 0.3 1 245 20 40 PHE CB C 38.672 0.3 1 246 20 40 PHE N N 122.224 0.3 1 247 21 41 LEU H H 8.309 0.020 1 248 21 41 LEU HA H 3.886 0.020 1 249 21 41 LEU HB2 H 1.479 0.020 1 250 21 41 LEU HB3 H 1.479 0.020 1 251 21 41 LEU HG H 1.586 0.020 1 252 21 41 LEU HD1 H 0.863 0.020 2 253 21 41 LEU HD2 H 0.810 0.020 2 254 21 41 LEU C C 178.811 0.3 1 255 21 41 LEU CA C 58.795 0.3 1 256 21 41 LEU CB C 41.256 0.3 1 257 21 41 LEU CG C 26.669 0.3 1 258 21 41 LEU CD1 C 24.477 0.3 1 259 21 41 LEU CD2 C 23.420 0.3 1 260 21 41 LEU N N 119.017 0.3 1 261 22 42 ASN H H 8.214 0.020 1 262 22 42 ASN HA H 4.531 0.020 1 263 22 42 ASN HB2 H 2.927 0.020 1 264 22 42 ASN HB3 H 2.927 0.020 1 265 22 42 ASN HD21 H 6.998 0.020 1 266 22 42 ASN HD22 H 7.657 0.020 1 267 22 42 ASN C C 178.128 0.3 1 268 22 42 ASN CA C 56.133 0.3 1 269 22 42 ASN CB C 37.641 0.3 1 270 22 42 ASN N N 117.039 0.3 1 271 22 42 ASN ND2 N 112.429 0.3 1 272 23 43 GLN H H 8.225 0.020 1 273 23 43 GLN HA H 4.042 0.020 1 274 23 43 GLN HB2 H 2.135 0.020 1 275 23 43 GLN HB3 H 2.135 0.020 1 276 23 43 GLN HG2 H 2.393 0.020 2 277 23 43 GLN HG3 H 2.319 0.020 2 278 23 43 GLN C C 178.197 0.3 1 279 23 43 GLN CA C 59.304 0.3 1 280 23 43 GLN CB C 28.669 0.3 1 281 23 43 GLN CG C 33.780 0.3 1 282 23 43 GLN N N 120.530 0.3 1 283 24 44 LEU H H 8.414 0.020 1 284 24 44 LEU HA H 3.833 0.020 1 285 24 44 LEU HB2 H 1.583 0.020 1 286 24 44 LEU HB3 H 1.583 0.020 1 287 24 44 LEU HG H 1.544 0.020 1 288 24 44 LEU HD1 H 0.863 0.020 2 289 24 44 LEU HD2 H 0.789 0.020 2 290 24 44 LEU C C 180.261 0.3 1 291 24 44 LEU CA C 57.811 0.3 1 292 24 44 LEU CB C 42.256 0.3 1 293 24 44 LEU CG C 26.715 0.3 1 294 24 44 LEU CD1 C 24.471 0.3 1 295 24 44 LEU CD2 C 23.143 0.3 1 296 24 44 LEU N N 118.986 0.3 1 297 25 45 ARG H H 8.356 0.020 1 298 25 45 ARG HA H 4.094 0.020 1 299 25 45 ARG HB2 H 1.594 0.020 1 300 25 45 ARG HB3 H 1.594 0.020 1 301 25 45 ARG HG2 H 1.376 0.020 1 302 25 45 ARG HG3 H 1.376 0.020 1 303 25 45 ARG HD2 H 3.032 0.020 1 304 25 45 ARG HD3 H 3.032 0.020 1 305 25 45 ARG C C 178.694 0.3 1 306 25 45 ARG CA C 59.488 0.3 1 307 25 45 ARG CB C 30.306 0.3 1 308 25 45 ARG CG C 26.658 0.3 1 309 25 45 ARG CD C 43.048 0.3 1 310 25 45 ARG N N 123.507 0.3 1 311 26 46 GLU H H 7.906 0.020 1 312 26 46 GLU HA H 3.875 0.020 1 313 26 46 GLU HB2 H 2.094 0.020 1 314 26 46 GLU HB3 H 2.094 0.020 1 315 26 46 GLU HG2 H 2.309 0.020 2 316 26 46 GLU HG3 H 2.204 0.020 2 317 26 46 GLU C C 178.911 0.3 1 318 26 46 GLU CA C 59.295 0.3 1 319 26 46 GLU CB C 29.419 0.3 1 320 26 46 GLU CG C 35.960 0.3 1 321 26 46 GLU N N 119.866 0.3 1 322 27 47 ILE H H 8.235 0.020 1 323 27 47 ILE HA H 3.750 0.020 1 324 27 47 ILE HB H 1.573 0.020 1 325 27 47 ILE HG12 H 0.991 0.020 1 326 27 47 ILE HG13 H 0.991 0.020 1 327 27 47 ILE HG2 H 0.831 0.020 1 328 27 47 ILE HD1 H 0.706 0.020 1 329 27 47 ILE C C 178.128 0.3 1 330 27 47 ILE CA C 64.663 0.3 1 331 27 47 ILE CB C 39.755 0.3 1 332 27 47 ILE CG1 C 28.588 0.3 1 333 27 47 ILE CG2 C 17.573 0.3 1 334 27 47 ILE CD1 C 14.086 0.3 1 335 27 47 ILE N N 116.811 0.3 1 336 28 48 THR H H 7.833 0.020 1 337 28 48 THR HA H 4.240 0.020 1 338 28 48 THR HB H 4.094 0.020 1 339 28 48 THR HG2 H 1.261 0.020 1 340 28 48 THR C C 176.360 0.3 1 341 28 48 THR CA C 63.078 0.3 1 342 28 48 THR CB C 71.763 0.3 1 343 28 48 THR CG2 C 21.744 0.3 1 344 28 48 THR N N 105.303 0.3 1 345 29 49 GLY H H 8.207 0.020 1 346 29 49 GLY HA2 H 4.052 0.020 2 347 29 49 GLY HA3 H 3.771 0.020 2 348 29 49 GLY C C 173.610 0.3 1 349 29 49 GLY CA C 45.799 0.3 1 350 29 49 GLY N N 111.540 0.3 1 351 30 50 ILE H H 7.653 0.020 1 352 30 50 ILE HA H 4.125 0.020 1 353 30 50 ILE HB H 1.764 0.020 1 354 30 50 ILE HG12 H 1.387 0.020 2 355 30 50 ILE HG13 H 1.093 0.020 2 356 30 50 ILE HG2 H 0.842 0.020 1 357 30 50 ILE HD1 H 0.789 0.020 1 358 30 50 ILE C C 173.860 0.3 1 359 30 50 ILE CA C 61.199 0.3 1 360 30 50 ILE CB C 38.088 0.3 1 361 30 50 ILE CG1 C 26.655 0.3 1 362 30 50 ILE CG2 C 17.079 0.3 1 363 30 50 ILE CD1 C 12.478 0.3 1 364 30 50 ILE N N 122.463 0.3 1 365 31 51 ASN H H 8.258 0.020 1 366 31 51 ASN HA H 4.729 0.020 1 367 31 51 ASN HB2 H 2.719 0.020 2 368 31 51 ASN HB3 H 2.615 0.020 2 369 31 51 ASN C C 175.260 0.3 1 370 31 51 ASN CA C 52.442 0.3 1 371 31 51 ASN CB C 39.975 0.3 1 372 31 51 ASN N N 120.987 0.3 1 373 32 52 ASP H H 6.916 0.020 1 374 32 52 ASP HA H 4.573 0.020 1 375 32 52 ASP HB2 H 2.719 0.020 2 376 32 52 ASP HB3 H 2.573 0.020 2 377 32 52 ASP C C 175.996 0.3 1 378 32 52 ASP CA C 53.994 0.3 1 379 32 52 ASP CB C 41.256 0.3 1 380 32 52 ASP N N 120.052 0.3 1 381 33 53 THR H H 8.641 0.020 1 382 33 53 THR HA H 3.719 0.020 1 383 33 53 THR HB H 4.146 0.020 1 384 33 53 THR HG2 H 1.219 0.020 1 385 33 53 THR C C 175.746 0.3 1 386 33 53 THR CA C 66.299 0.3 1 387 33 53 THR CB C 68.649 0.3 1 388 33 53 THR CG2 C 21.717 0.3 1 389 33 53 THR N N 122.348 0.3 1 390 34 54 GLN H H 8.326 0.020 1 391 34 54 GLN HA H 4.063 0.020 1 392 34 54 GLN HB2 H 2.135 0.020 1 393 34 54 GLN HB3 H 2.135 0.020 1 394 34 54 GLN HG2 H 2.403 0.020 2 395 34 54 GLN HG3 H 2.319 0.020 2 396 34 54 GLN C C 179.114 0.3 1 397 34 54 GLN CA C 59.395 0.3 1 398 34 54 GLN CB C 27.752 0.3 1 399 34 54 GLN CG C 33.768 0.3 1 400 34 54 GLN N N 120.713 0.3 1 401 35 55 ILE H H 7.523 0.020 1 402 35 55 ILE HA H 3.771 0.020 1 403 35 55 ILE HB H 1.865 0.020 1 404 35 55 ILE HG12 H 1.135 0.020 1 405 35 55 ILE HG13 H 1.135 0.020 1 406 35 55 ILE HG2 H 0.863 0.020 1 407 35 55 ILE HD1 H 0.800 0.020 1 408 35 55 ILE C C 179.042 0.3 1 409 35 55 ILE CA C 64.186 0.3 1 410 35 55 ILE CB C 37.838 0.3 1 411 35 55 ILE CG1 C 27.203 0.3 1 412 35 55 ILE CG2 C 17.078 0.3 1 413 35 55 ILE CD1 C 12.532 0.3 1 414 35 55 ILE N N 121.228 0.3 1 415 36 56 LEU H H 7.802 0.020 1 416 36 56 LEU HA H 3.896 0.020 1 417 36 56 LEU HB2 H 1.583 0.020 1 418 36 56 LEU HB3 H 1.583 0.020 1 419 36 56 LEU HG H 1.533 0.020 1 420 36 56 LEU HD1 H 0.863 0.020 2 421 36 56 LEU HD2 H 0.800 0.020 2 422 36 56 LEU C C 178.447 0.3 1 423 36 56 LEU CA C 58.161 0.3 1 424 36 56 LEU CB C 42.506 0.3 1 425 36 56 LEU CG C 26.675 0.3 1 426 36 56 LEU CD1 C 24.476 0.3 1 427 36 56 LEU CD2 C 23.418 0.3 1 428 36 56 LEU N N 119.524 0.3 1 429 37 57 GLN H H 8.507 0.020 1 430 37 57 GLN HA H 3.906 0.020 1 431 37 57 GLN HB2 H 2.010 0.020 1 432 37 57 GLN HB3 H 2.010 0.020 1 433 37 57 GLN HG2 H 2.309 0.020 2 434 37 57 GLN HG3 H 2.204 0.020 2 435 37 57 GLN C C 179.114 0.3 1 436 37 57 GLN CA C 59.086 0.3 1 437 37 57 GLN CB C 28.252 0.3 1 438 37 57 GLN CG C 35.944 0.3 1 439 37 57 GLN N N 116.417 0.3 1 440 38 58 GLN H H 7.986 0.020 1 441 38 58 GLN HA H 3.866 0.020 1 442 38 58 GLN HB2 H 2.070 0.020 1 443 38 58 GLN HB3 H 2.070 0.020 1 444 38 58 GLN HG2 H 2.393 0.020 2 445 38 58 GLN HG3 H 2.319 0.020 2 446 38 58 GLN C C 177.246 0.3 1 447 38 58 GLN CA C 58.428 0.3 1 448 38 58 GLN CB C 27.836 0.3 1 449 38 58 GLN CG C 33.773 0.3 1 450 38 58 GLN N N 120.445 0.3 1 451 39 59 ALA H H 7.879 0.020 1 452 39 59 ALA HA H 4.167 0.020 1 453 39 59 ALA HB H 1.365 0.020 1 454 39 59 ALA C C 180.564 0.3 1 455 39 59 ALA CA C 54.992 0.3 1 456 39 59 ALA CB C 18.220 0.3 1 457 39 59 ALA N N 121.337 0.3 1 458 40 60 LEU H H 7.925 0.020 1 459 40 60 LEU HA H 3.844 0.020 1 460 40 60 LEU HB2 H 1.550 0.020 1 461 40 60 LEU HB3 H 1.550 0.020 1 462 40 60 LEU HG H 1.596 0.020 1 463 40 60 LEU HD1 H 0.842 0.020 2 464 40 60 LEU HD2 H 0.810 0.020 2 465 40 60 LEU C C 178.747 0.3 1 466 40 60 LEU CA C 58.161 0.3 1 467 40 60 LEU CB C 41.339 0.3 1 468 40 60 LEU CG C 26.644 0.3 1 469 40 60 LEU CD1 C 24.479 0.3 1 470 40 60 LEU CD2 C 23.409 0.3 1 471 40 60 LEU N N 119.590 0.3 1 472 41 61 LYS H H 7.945 0.020 1 473 41 61 LYS HA H 3.990 0.020 1 474 41 61 LYS HB2 H 1.875 0.020 1 475 41 61 LYS HB3 H 1.875 0.020 1 476 41 61 LYS HG2 H 1.439 0.020 2 477 41 61 LYS HG3 H 1.355 0.020 2 478 41 61 LYS HD2 H 1.607 0.020 1 479 41 61 LYS HD3 H 1.607 0.020 1 480 41 61 LYS HE2 H 2.906 0.020 1 481 41 61 LYS HE3 H 2.906 0.020 1 482 41 61 LYS C C 180.364 0.3 1 483 41 61 LYS CA C 59.555 0.3 1 484 41 61 LYS CB C 31.837 0.3 1 485 41 61 LYS CG C 24.468 0.3 1 486 41 61 LYS CD C 28.801 0.3 1 487 41 61 LYS CE C 41.433 0.3 1 488 41 61 LYS N N 121.239 0.3 1 489 42 62 ASP H H 8.852 0.020 1 490 42 62 ASP HA H 4.323 0.020 1 491 42 62 ASP HB2 H 2.448 0.020 2 492 42 62 ASP HB3 H 2.302 0.020 2 493 42 62 ASP C C 177.497 0.3 1 494 42 62 ASP CA C 57.170 0.3 1 495 42 62 ASP CB C 40.339 0.3 1 496 42 62 ASP N N 120.714 0.3 1 497 43 63 SER H H 7.966 0.020 1 498 43 63 SER HA H 4.375 0.020 1 499 43 63 SER HB2 H 3.797 0.020 2 500 43 63 SER HB3 H 3.755 0.020 2 501 43 63 SER C C 175.313 0.3 1 502 43 63 SER CA C 58.549 0.3 1 503 43 63 SER CB C 64.678 0.3 1 504 43 63 SER N N 111.724 0.3 1 505 44 64 ASN H H 8.093 0.020 1 506 44 64 ASN HA H 4.396 0.020 1 507 44 64 ASN HB2 H 3.115 0.020 2 508 44 64 ASN HB3 H 2.688 0.020 2 509 44 64 ASN C C 175.346 0.3 1 510 44 64 ASN CA C 54.153 0.3 1 511 44 64 ASN CB C 37.391 0.3 1 512 44 64 ASN N N 120.089 0.3 1 513 45 65 GLY H H 8.332 0.020 1 514 45 65 GLY HA2 H 3.917 0.020 2 515 45 65 GLY HA3 H 3.042 0.020 2 516 45 65 GLY C C 172.543 0.3 1 517 45 65 GLY CA C 45.866 0.3 1 518 45 65 GLY N N 103.598 0.3 1 519 46 66 ASN H H 7.270 0.020 1 520 46 66 ASN HA H 4.636 0.020 1 521 46 66 ASN HB2 H 2.801 0.020 2 522 46 66 ASN HB3 H 2.728 0.020 2 523 46 66 ASN HD21 H 6.934 0.020 1 524 46 66 ASN HD22 H 7.605 0.020 1 525 46 66 ASN C C 175.077 0.3 1 526 46 66 ASN CA C 52.660 0.3 1 527 46 66 ASN CB C 39.338 0.3 1 528 46 66 ASN N N 119.219 0.3 1 529 46 66 ASN ND2 N 112.660 0.3 1 530 47 67 LEU H H 8.830 0.020 1 531 47 67 LEU HA H 3.740 0.020 1 532 47 67 LEU HB2 H 1.575 0.020 2 533 47 67 LEU HB3 H 1.510 0.020 2 534 47 67 LEU HG H 1.334 0.020 1 535 47 67 LEU HD1 H 0.580 0.020 2 536 47 67 LEU HD2 H 0.454 0.020 2 537 47 67 LEU C C 177.127 0.3 1 538 47 67 LEU CA C 58.760 0.3 1 539 47 67 LEU CB C 41.839 0.3 1 540 47 67 LEU CG C 26.660 0.3 1 541 47 67 LEU CD1 C 25.020 0.3 1 542 47 67 LEU CD2 C 23.460 0.3 1 543 47 67 LEU N N 129.689 0.3 1 544 48 68 GLU H H 8.280 0.020 1 545 48 68 GLU HA H 3.740 0.020 1 546 48 68 GLU HB2 H 2.068 0.020 2 547 48 68 GLU HB3 H 1.942 0.020 2 548 48 68 GLU HG2 H 2.319 0.020 2 549 48 68 GLU HG3 H 2.214 0.020 2 550 48 68 GLU C C 179.928 0.3 1 551 48 68 GLU CA C 60.361 0.3 1 552 48 68 GLU CB C 28.586 0.3 1 553 48 68 GLU CG C 36.758 0.3 1 554 48 68 GLU N N 117.539 0.3 1 555 49 69 LEU H H 7.963 0.020 1 556 49 69 LEU HA H 4.302 0.020 1 557 49 69 LEU HB2 H 1.797 0.020 1 558 49 69 LEU HB3 H 1.797 0.020 1 559 49 69 LEU HG H 1.591 0.020 1 560 49 69 LEU HD1 H 0.852 0.020 2 561 49 69 LEU HD2 H 0.789 0.020 2 562 49 69 LEU C C 177.913 0.3 1 563 49 69 LEU CA C 56.870 0.3 1 564 49 69 LEU CB C 38.558 0.3 1 565 49 69 LEU CG C 26.657 0.3 1 566 49 69 LEU CD1 C 24.480 0.3 1 567 49 69 LEU CD2 C 23.329 0.3 1 568 49 69 LEU N N 120.929 0.3 1 569 50 70 ALA H H 8.091 0.020 1 570 50 70 ALA HA H 3.969 0.020 1 571 50 70 ALA HB H 1.469 0.020 1 572 50 70 ALA C C 179.414 0.3 1 573 50 70 ALA CA C 55.730 0.3 1 574 50 70 ALA CB C 18.303 0.3 1 575 50 70 ALA N N 122.298 0.3 1 576 51 71 VAL H H 8.399 0.020 1 577 51 71 VAL HA H 3.229 0.020 1 578 51 71 VAL HB H 2.052 0.020 1 579 51 71 VAL HG1 H 0.884 0.020 2 580 51 71 VAL HG2 H 0.747 0.020 2 581 51 71 VAL C C 179.228 0.3 1 582 51 71 VAL CA C 67.105 0.3 1 583 51 71 VAL CB C 31.587 0.3 1 584 51 71 VAL CG1 C 23.927 0.3 1 585 51 71 VAL CG2 C 21.212 0.3 1 586 51 71 VAL N N 116.896 0.3 1 587 52 72 ALA H H 7.708 0.020 1 588 52 72 ALA HA H 4.011 0.020 1 589 52 72 ALA HB H 1.427 0.020 1 590 52 72 ALA C C 180.578 0.3 1 591 52 72 ALA CA C 55.461 0.3 1 592 52 72 ALA CB C 17.416 0.3 1 593 52 72 ALA N N 124.313 0.3 1 594 53 73 PHE H H 8.416 0.020 1 595 53 73 PHE HA H 4.410 0.020 1 596 53 73 PHE HB2 H 3.302 0.020 1 597 53 73 PHE HB3 H 3.302 0.020 1 598 53 73 PHE C C 178.776 0.3 1 599 53 73 PHE CA C 59.354 0.3 1 600 53 73 PHE CB C 38.172 0.3 1 601 53 73 PHE N N 118.113 0.3 1 602 54 74 LEU H H 8.031 0.020 1 603 54 74 LEU HA H 4.156 0.020 1 604 54 74 LEU HB2 H 1.594 0.020 1 605 54 74 LEU HB3 H 1.594 0.020 1 606 54 74 LEU HG H 1.594 0.020 1 607 54 74 LEU HD1 H 0.863 0.020 2 608 54 74 LEU HD2 H 0.810 0.020 2 609 54 74 LEU C C 178.513 0.3 1 610 54 74 LEU CA C 56.661 0.3 1 611 54 74 LEU CB C 42.309 0.3 1 612 54 74 LEU CG C 26.663 0.3 1 613 54 74 LEU CD1 C 24.476 0.3 1 614 54 74 LEU CD2 C 23.409 0.3 1 615 54 74 LEU N N 117.862 0.3 1 616 55 75 THR H H 8.097 0.020 1 617 55 75 THR HA H 4.281 0.020 1 618 55 75 THR HB H 4.229 0.020 1 619 55 75 THR HG2 H 1.198 0.020 1 620 55 75 THR C C 175.163 0.3 1 621 55 75 THR CA C 63.414 0.3 1 622 55 75 THR CB C 69.816 0.3 1 623 55 75 THR CG2 C 21.197 0.3 1 624 55 75 THR N N 111.572 0.3 1 625 56 76 ALA H H 7.746 0.020 1 626 56 76 ALA HA H 4.208 0.020 1 627 56 76 ALA HB H 1.406 0.020 1 628 56 76 ALA C C 178.363 0.3 1 629 56 76 ALA CA C 53.560 0.3 1 630 56 76 ALA CB C 18.470 0.3 1 631 56 76 ALA N N 124.931 0.3 1 632 57 77 LYS H H 8.003 0.020 1 633 57 77 LYS HA H 4.177 0.020 1 634 57 77 LYS HB2 H 1.750 0.020 1 635 57 77 LYS HB3 H 1.750 0.020 1 636 57 77 LYS HG2 H 1.408 0.020 2 637 57 77 LYS HG3 H 1.355 0.020 2 638 57 77 LYS HD2 H 1.607 0.020 1 639 57 77 LYS HD3 H 1.607 0.020 1 640 57 77 LYS HE2 H 2.916 0.020 1 641 57 77 LYS HE3 H 2.916 0.020 1 642 57 77 LYS C C 176.730 0.3 1 643 57 77 LYS CA C 56.771 0.3 1 644 57 77 LYS CB C 32.253 0.3 1 645 57 77 LYS CG C 24.470 0.3 1 646 57 77 LYS CD C 28.600 0.3 1 647 57 77 LYS CE C 41.455 0.3 1 648 57 77 LYS N N 118.518 0.3 1 649 58 78 ASN H H 8.099 0.020 1 650 58 78 ASN HA H 4.636 0.020 1 651 58 78 ASN HB2 H 2.801 0.020 2 652 58 78 ASN HB3 H 2.688 0.020 2 653 58 78 ASN HD21 H 6.872 0.020 1 654 58 78 ASN HD22 H 7.594 0.020 1 655 58 78 ASN C C 174.812 0.3 1 656 58 78 ASN CA C 53.193 0.3 1 657 58 78 ASN CB C 38.755 0.3 1 658 58 78 ASN N N 118.130 0.3 1 659 58 78 ASN ND2 N 112.514 0.3 1 660 59 79 ALA H H 8.031 0.020 1 661 59 79 ALA HA H 4.229 0.020 1 662 59 79 ALA HB H 1.355 0.020 1 663 59 79 ALA C C 177.480 0.3 1 664 59 79 ALA CA C 52.644 0.3 1 665 59 79 ALA CB C 19.303 0.3 1 666 59 79 ALA N N 123.758 0.3 1 667 60 80 LYS H H 8.225 0.020 1 668 60 80 LYS HA H 4.323 0.020 1 669 60 80 LYS HB2 H 1.760 0.020 1 670 60 80 LYS HB3 H 1.760 0.020 1 671 60 80 LYS HG2 H 1.397 0.020 2 672 60 80 LYS HG3 H 1.345 0.020 2 673 60 80 LYS HD2 H 1.607 0.020 1 674 60 80 LYS HD3 H 1.607 0.020 1 675 60 80 LYS HE2 H 2.916 0.020 1 676 60 80 LYS HE3 H 2.916 0.020 1 677 60 80 LYS C C 176.530 0.3 1 678 60 80 LYS CA C 55.999 0.3 1 679 60 80 LYS CB C 32.890 0.3 1 680 60 80 LYS CG C 24.464 0.3 1 681 60 80 LYS CD C 28.826 0.3 1 682 60 80 LYS CE C 41.489 0.3 1 683 60 80 LYS N N 120.079 0.3 1 684 61 81 THR H H 8.146 0.020 1 685 61 81 THR HA H 4.542 0.020 1 686 61 81 THR HB H 4.177 0.020 1 687 61 81 THR HG2 H 1.177 0.020 1 688 61 81 THR C C 172.912 0.3 1 689 61 81 THR CA C 59.857 0.3 1 690 61 81 THR CB C 69.566 0.3 1 691 61 81 THR CG2 C 21.193 0.3 1 692 61 81 THR N N 117.462 0.3 1 693 63 83 GLN H H 8.446 0.020 1 694 63 83 GLN HA H 4.208 0.020 1 695 63 83 GLN HB2 H 2.031 0.020 2 696 63 83 GLN HB3 H 1.937 0.020 2 697 63 83 GLN HG2 H 2.319 0.020 2 698 63 83 GLN HG3 H 2.204 0.020 2 699 63 83 GLN C C 176.046 0.3 1 700 63 83 GLN CA C 56.070 0.3 1 701 63 83 GLN CB C 29.389 0.3 1 702 63 83 GLN CG C 33.713 0.3 1 703 63 83 GLN N N 120.308 0.3 1 704 64 84 GLN H H 8.363 0.020 1 705 64 84 GLN HA H 4.229 0.020 1 706 64 84 GLN HB2 H 2.010 0.020 1 707 64 84 GLN HB3 H 2.010 0.020 1 708 64 84 GLN HG2 H 2.319 0.020 2 709 64 84 GLN HG3 H 2.214 0.020 2 710 64 84 GLN C C 175.946 0.3 1 711 64 84 GLN CA C 56.194 0.3 1 712 64 84 GLN CB C 29.306 0.3 1 713 64 84 GLN CG C 33.481 0.3 1 714 64 84 GLN N N 121.408 0.3 1 715 65 85 GLU H H 8.471 0.020 1 716 65 85 GLU HA H 4.229 0.020 1 717 65 85 GLU HB2 H 2.010 0.020 2 718 65 85 GLU HB3 H 1.854 0.020 2 719 65 85 GLU HG2 H 2.298 0.020 2 720 65 85 GLU HG3 H 2.204 0.020 2 721 65 85 GLU C C 176.444 0.3 1 722 65 85 GLU CA C 56.670 0.3 1 723 65 85 GLU CB C 30.223 0.3 1 724 65 85 GLU CG C 35.957 0.3 1 725 65 85 GLU N N 122.023 0.3 1 726 66 86 GLU H H 8.480 0.020 1 727 66 86 GLU HA H 4.270 0.020 1 728 66 86 GLU HB2 H 2.021 0.020 2 729 66 86 GLU HB3 H 1.927 0.020 2 730 66 86 GLU HG2 H 2.298 0.020 2 731 66 86 GLU HG3 H 2.225 0.020 2 732 66 86 GLU C C 176.694 0.3 1 733 66 86 GLU CA C 56.670 0.3 1 734 66 86 GLU CB C 30.139 0.3 1 735 66 86 GLU CG C 35.956 0.3 1 736 66 86 GLU N N 122.023 0.3 1 737 67 87 THR H H 8.215 0.020 1 738 67 87 THR HA H 4.250 0.020 1 739 67 87 THR HB H 4.115 0.020 1 740 67 87 THR HG2 H 1.073 0.020 1 741 67 87 THR C C 174.643 0.3 1 742 67 87 THR CA C 62.139 0.3 1 743 67 87 THR CB C 69.566 0.3 1 744 67 87 THR CG2 C 21.169 0.3 1 745 67 87 THR N N 115.391 0.3 1 746 68 88 THR H H 8.068 0.020 1 747 68 88 THR HA H 4.188 0.020 1 748 68 88 THR HB H 4.021 0.020 1 749 68 88 THR HG2 H 0.999 0.020 1 750 68 88 THR C C 173.993 0.3 1 751 68 88 THR CA C 62.105 0.3 1 752 68 88 THR CB C 69.763 0.3 1 753 68 88 THR CG2 C 21.160 0.3 1 754 68 88 THR N N 116.566 0.3 1 755 69 89 TYR H H 8.113 0.020 1 756 69 89 TYR HA H 4.438 0.020 1 757 69 89 TYR HB2 H 2.833 0.020 1 758 69 89 TYR HB3 H 2.833 0.020 1 759 69 89 TYR C C 175.260 0.3 1 760 69 89 TYR CA C 58.045 0.3 1 761 69 89 TYR CB C 38.725 0.3 1 762 69 89 TYR N N 122.581 0.3 1 763 70 90 TYR H H 7.971 0.020 1 764 70 90 TYR HA H 4.511 0.020 1 765 70 90 TYR HB2 H 2.958 0.020 2 766 70 90 TYR HB3 H 2.813 0.020 2 767 70 90 TYR C C 175.310 0.3 1 768 70 90 TYR CA C 57.844 0.3 1 769 70 90 TYR CB C 38.588 0.3 1 770 70 90 TYR N N 121.208 0.3 1 771 71 91 GLN H H 8.152 0.020 1 772 71 91 GLN HA H 4.249 0.020 1 773 71 91 GLN HB2 H 2.021 0.020 2 774 71 91 GLN HB3 H 1.896 0.020 2 775 71 91 GLN HG2 H 2.298 0.020 2 776 71 91 GLN HG3 H 2.235 0.020 2 777 71 91 GLN HE21 H 6.830 0.020 1 778 71 91 GLN HE22 H 7.490 0.020 1 779 71 91 GLN C C 175.708 0.3 1 780 71 91 GLN CA C 55.827 0.3 1 781 71 91 GLN CB C 29.503 0.3 1 782 71 91 GLN CG C 33.497 0.3 1 783 71 91 GLN N N 121.580 0.3 1 784 71 91 GLN NE2 N 112.205 0.3 1 785 72 92 THR H H 8.054 0.020 1 786 72 92 THR HA H 4.125 0.020 1 787 72 92 THR HB H 4.198 0.020 1 788 72 92 THR HG2 H 1.140 0.020 1 789 72 92 THR C C 173.910 0.3 1 790 72 92 THR CA C 61.870 0.3 1 791 72 92 THR CB C 69.763 0.3 1 792 72 92 THR CG2 C 21.192 0.3 1 793 72 92 THR N N 115.228 0.3 1 794 73 93 ALA H H 8.215 0.020 1 795 73 93 ALA HA H 4.291 0.020 1 796 73 93 ALA HB H 1.282 0.020 1 797 73 93 ALA C C 177.094 0.3 1 798 73 93 ALA CA C 52.174 0.3 1 799 73 93 ALA CB C 19.250 0.3 1 800 73 93 ALA N N 126.265 0.3 1 801 74 94 LEU H H 8.186 0.020 1 802 74 94 LEU HA H 4.540 0.020 1 803 74 94 LEU HB2 H 1.512 0.020 2 804 74 94 LEU HB3 H 1.481 0.020 2 805 74 94 LEU HG H 1.596 0.020 1 806 74 94 LEU HD1 H 0.852 0.020 2 807 74 94 LEU HD2 H 0.810 0.020 2 808 74 94 LEU C C 175.227 0.3 1 809 74 94 LEU CA C 52.878 0.3 1 810 74 94 LEU CB C 41.422 0.3 1 811 74 94 LEU CG C 26.677 0.3 1 812 74 94 LEU CD1 C 24.478 0.3 1 813 74 94 LEU CD2 C 23.410 0.3 1 814 74 94 LEU N N 122.889 0.3 1 815 76 96 GLY H H 8.438 0.020 1 816 76 96 GLY HA2 H 3.907 0.020 1 817 76 96 GLY HA3 H 3.907 0.020 1 818 76 96 GLY C C 174.096 0.3 1 819 76 96 GLY CA C 45.262 0.3 1 820 76 96 GLY N N 109.099 0.3 1 821 77 97 ASN H H 8.257 0.020 1 822 77 97 ASN HA H 4.677 0.020 1 823 77 97 ASN HB2 H 2.802 0.020 2 824 77 97 ASN HB3 H 2.688 0.020 2 825 77 97 ASN HD21 H 6.924 0.020 1 826 77 97 ASN HD22 H 7.584 0.020 1 827 77 97 ASN C C 175.027 0.3 1 828 77 97 ASN CA C 53.315 0.3 1 829 77 97 ASN CB C 39.088 0.3 1 830 77 97 ASN N N 118.586 0.3 1 831 77 97 ASN ND2 N 112.660 0.3 1 832 78 98 ASP H H 8.387 0.020 1 833 78 98 ASP HA H 4.479 0.020 1 834 78 98 ASP HB2 H 2.644 0.020 2 835 78 98 ASP HB3 H 2.592 0.020 2 836 78 98 ASP C C 176.113 0.3 1 837 78 98 ASP CA C 54.560 0.3 1 838 78 98 ASP CB C 40.922 0.3 1 839 78 98 ASP N N 120.481 0.3 1 840 79 99 ARG H H 8.081 0.020 1 841 79 99 ARG HA H 4.167 0.020 1 842 79 99 ARG HB2 H 1.627 0.020 1 843 79 99 ARG HB3 H 1.627 0.020 1 844 79 99 ARG HG2 H 1.387 0.020 1 845 79 99 ARG HG3 H 1.387 0.020 1 846 79 99 ARG HD2 H 3.042 0.020 1 847 79 99 ARG HD3 H 3.042 0.020 1 848 79 99 ARG C C 175.863 0.3 1 849 79 99 ARG CA C 56.228 0.3 1 850 79 99 ARG CB C 30.503 0.3 1 851 79 99 ARG CG C 26.653 0.3 1 852 79 99 ARG CD C 43.046 0.3 1 853 79 99 ARG N N 120.011 0.3 1 854 80 100 TYR H H 8.126 0.020 1 855 80 100 TYR HA H 4.511 0.020 1 856 80 100 TYR HB2 H 2.990 0.020 2 857 80 100 TYR HB3 H 2.875 0.020 2 858 80 100 TYR C C 175.429 0.3 1 859 80 100 TYR CA C 57.961 0.3 1 860 80 100 TYR CB C 38.391 0.3 1 861 80 100 TYR N N 120.589 0.3 1 862 81 101 ILE H H 7.863 0.020 1 863 81 101 ILE HA H 4.083 0.020 1 864 81 101 ILE HB H 1.729 0.020 1 865 81 101 ILE HG12 H 1.376 0.020 2 866 81 101 ILE HG13 H 1.083 0.020 2 867 81 101 ILE HG2 H 0.800 0.020 1 868 81 101 ILE HD1 H 0.779 0.020 1 869 81 101 ILE C C 175.579 0.3 1 870 81 101 ILE CA C 60.730 0.3 1 871 81 101 ILE CB C 38.505 0.3 1 872 81 101 ILE CG1 C 26.658 0.3 1 873 81 101 ILE CG2 C 17.158 0.3 1 874 81 101 ILE CD1 C 12.498 0.3 1 875 81 101 ILE N N 122.923 0.3 1 876 82 102 SER H H 8.284 0.020 1 877 82 102 SER HA H 4.406 0.020 1 878 82 102 SER HB2 H 3.828 0.020 2 879 82 102 SER HB3 H 3.781 0.020 2 880 82 102 SER C C 174.596 0.3 1 881 82 102 SER CA C 57.911 0.3 1 882 82 102 SER CB C 63.678 0.3 1 883 82 102 SER N N 119.845 0.3 1 884 83 103 VAL H H 8.187 0.020 1 885 83 103 VAL HA H 4.094 0.020 1 886 83 103 VAL HB H 2.052 0.020 1 887 83 103 VAL HG1 H 0.884 0.020 1 888 83 103 VAL HG2 H 0.884 0.020 1 889 83 103 VAL C C 176.663 0.3 1 890 83 103 VAL CA C 62.474 0.3 1 891 83 103 VAL CB C 32.503 0.3 1 892 83 103 VAL CG1 C 20.643 0.3 1 893 83 103 VAL CG2 C 20.643 0.3 1 894 83 103 VAL N N 122.023 0.3 1 895 84 104 GLY H H 8.465 0.020 1 896 84 104 GLY HA2 H 3.964 0.020 2 897 84 104 GLY HA3 H 3.938 0.020 2 898 84 104 GLY C C 174.179 0.3 1 899 84 104 GLY CA C 45.195 0.3 1 900 84 104 GLY N N 112.175 0.3 1 901 85 105 SER H H 8.222 0.020 1 902 85 105 SER HA H 4.365 0.020 1 903 85 105 SER HB2 H 3.839 0.020 2 904 85 105 SER HB3 H 3.765 0.020 2 905 85 105 SER C C 174.646 0.3 1 906 85 105 SER CA C 58.343 0.3 1 907 85 105 SER CB C 63.845 0.3 1 908 85 105 SER N N 115.540 0.3 1 909 86 106 GLN H H 8.459 0.020 1 910 86 106 GLN HA H 4.281 0.020 1 911 86 106 GLN HB2 H 2.073 0.020 2 912 86 106 GLN HB3 H 1.937 0.020 2 913 86 106 GLN HG2 H 2.309 0.020 2 914 86 106 GLN HG3 H 2.214 0.020 2 915 86 106 GLN C C 175.663 0.3 1 916 86 106 GLN CA C 55.894 0.3 1 917 86 106 GLN CB C 29.086 0.3 1 918 86 106 GLN CG C 33.494 0.3 1 919 86 106 GLN N N 122.036 0.3 1 920 87 107 ALA H H 8.254 0.020 1 921 87 107 ALA HA H 4.240 0.020 1 922 87 107 ALA HB H 1.313 0.020 1 923 87 107 ALA C C 177.380 0.3 1 924 87 107 ALA CA C 52.576 0.3 1 925 87 107 ALA CB C 19.137 0.3 1 926 87 107 ALA N N 124.662 0.3 1 927 88 108 ASP H H 8.270 0.020 1 928 88 108 ASP HA H 4.583 0.020 1 929 88 108 ASP HB2 H 2.688 0.020 2 930 88 108 ASP HB3 H 2.604 0.020 2 931 88 108 ASP C C 176.496 0.3 1 932 88 108 ASP CA C 54.327 0.3 1 933 88 108 ASP CB C 40.922 0.3 1 934 88 108 ASP N N 119.477 0.3 1 935 89 109 THR H H 8.026 0.020 1 936 89 109 THR HA H 4.111 0.020 1 937 89 109 THR HB H 4.229 0.020 1 938 89 109 THR HG2 H 1.135 0.020 1 939 89 109 THR C C 174.312 0.3 1 940 89 109 THR CA C 61.904 0.3 1 941 89 109 THR CB C 69.763 0.3 1 942 89 109 THR CG2 C 21.191 0.3 1 943 89 109 THR N N 113.768 0.3 1 944 90 110 ASN H H 8.453 0.020 1 945 90 110 ASN HA H 4.677 0.020 1 946 90 110 ASN HB2 H 2.801 0.020 2 947 90 110 ASN HB3 H 2.728 0.020 2 948 90 110 ASN HD21 H 6.924 0.020 1 949 90 110 ASN HD22 H 7.584 0.020 1 950 90 110 ASN C C 174.860 0.3 1 951 90 110 ASN CA C 53.415 0.3 1 952 90 110 ASN CB C 38.755 0.3 1 953 90 110 ASN N N 121.245 0.3 1 954 90 110 ASN ND2 N 112.658 0.3 1 955 91 111 VAL H H 8.024 0.020 1 956 91 111 VAL HA H 4.052 0.020 1 957 91 111 VAL HB H 2.021 0.020 1 958 91 111 VAL HG1 H 0.873 0.020 1 959 91 111 VAL HG2 H 0.873 0.020 1 960 91 111 VAL C C 175.929 0.3 1 961 91 111 VAL CA C 62.441 0.3 1 962 91 111 VAL CB C 32.337 0.3 1 963 91 111 VAL CG1 C 20.612 0.3 1 964 91 111 VAL CG2 C 20.612 0.3 1 965 91 111 VAL N N 120.479 0.3 1 966 92 112 ILE H H 8.139 0.020 1 967 92 112 ILE HA H 4.094 0.020 1 968 92 112 ILE HB H 1.760 0.020 1 969 92 112 ILE HG12 H 1.387 0.020 2 970 92 112 ILE HG13 H 1.083 0.020 2 971 92 112 ILE HG2 H 0.800 0.020 1 972 92 112 ILE HD1 H 0.768 0.020 1 973 92 112 ILE C C 175.446 0.3 1 974 92 112 ILE CA C 60.931 0.3 1 975 92 112 ILE CB C 38.672 0.3 1 976 92 112 ILE CG1 C 26.659 0.3 1 977 92 112 ILE CG2 C 17.137 0.3 1 978 92 112 ILE CD1 C 12.464 0.3 1 979 92 112 ILE N N 124.441 0.3 1 980 93 113 ASP H H 8.370 0.020 1 981 93 113 ASP HA H 4.594 0.020 1 982 93 113 ASP HB2 H 2.686 0.020 2 983 93 113 ASP HB3 H 2.521 0.020 2 984 93 113 ASP C C 176.077 0.3 1 985 93 113 ASP CA C 53.927 0.3 1 986 93 113 ASP CB C 41.172 0.3 1 987 93 113 ASP N N 124.582 0.3 1 988 94 114 LEU H H 8.371 0.020 1 989 94 114 LEU HA H 4.386 0.020 1 990 94 114 LEU HB2 H 1.583 0.020 1 991 94 114 LEU HB3 H 1.583 0.020 1 992 94 114 LEU HG H 1.583 0.020 1 993 94 114 LEU HD1 H 0.842 0.020 2 994 94 114 LEU HD2 H 0.789 0.020 2 995 94 114 LEU C C 177.759 0.3 1 996 94 114 LEU CA C 55.061 0.3 1 997 94 114 LEU CB C 42.089 0.3 1 998 94 114 LEU CG C 26.656 0.3 1 999 94 114 LEU CD1 C 24.475 0.3 1 1000 94 114 LEU CD2 C 23.193 0.3 1 1001 94 114 LEU N N 124.140 0.3 1 1002 95 115 THR H H 8.313 0.020 1 1003 95 115 THR HA H 4.350 0.020 1 1004 95 115 THR HB H 4.240 0.020 1 1005 95 115 THR HG2 H 1.167 0.020 1 1006 95 115 THR C C 175.346 0.3 1 1007 95 115 THR CA C 62.441 0.3 1 1008 95 115 THR CB C 70.013 0.3 1 1009 95 115 THR CG2 C 21.189 0.3 1 1010 95 115 THR N N 113.595 0.3 1 1011 96 116 GLY H H 8.375 0.020 1 1012 96 116 GLY HA2 H 3.927 0.020 1 1013 96 116 GLY HA3 H 3.927 0.020 1 1014 96 116 GLY C C 173.929 0.3 1 1015 96 116 GLY CA C 45.430 0.3 1 1016 96 116 GLY N N 110.792 0.3 1 1017 97 117 ASP H H 8.258 0.020 1 1018 97 117 ASP HA H 4.563 0.020 1 1019 97 117 ASP HB2 H 2.688 0.020 2 1020 97 117 ASP HB3 H 2.563 0.020 2 1021 97 117 ASP C C 176.113 0.3 1 1022 97 117 ASP CA C 54.527 0.3 1 1023 97 117 ASP CB C 41.256 0.3 1 1024 97 117 ASP N N 120.686 0.3 1 1025 98 118 ASP H H 8.389 0.020 1 1026 98 118 ASP HA H 4.521 0.020 1 1027 98 118 ASP HB2 H 2.646 0.020 2 1028 98 118 ASP HB3 H 2.581 0.020 2 1029 98 118 ASP C C 176.696 0.3 1 1030 98 118 ASP CA C 54.494 0.3 1 1031 98 118 ASP CB C 40.922 0.3 1 1032 98 118 ASP N N 120.502 0.3 1 1033 99 119 LYS H H 8.167 0.020 1 1034 99 119 LYS HA H 4.094 0.020 1 1035 99 119 LYS HB2 H 1.781 0.020 1 1036 99 119 LYS HB3 H 1.781 0.020 1 1037 99 119 LYS HG2 H 1.397 0.020 2 1038 99 119 LYS HG3 H 1.355 0.020 2 1039 99 119 LYS HD2 H 1.596 0.020 1 1040 99 119 LYS HD3 H 1.596 0.020 1 1041 99 119 LYS HE2 H 2.916 0.020 1 1042 99 119 LYS HE3 H 2.916 0.020 1 1043 99 119 LYS C C 176.946 0.3 1 1044 99 119 LYS CA C 57.039 0.3 1 1045 99 119 LYS CB C 32.557 0.3 1 1046 99 119 LYS CG C 24.481 0.3 1 1047 99 119 LYS CD C 28.575 0.3 1 1048 99 119 LYS CE C 41.496 0.3 1 1049 99 119 LYS N N 120.922 0.3 1 1050 100 120 ASP H H 8.251 0.020 1 1051 100 120 ASP HA H 4.521 0.020 1 1052 100 120 ASP HB2 H 2.667 0.020 2 1053 100 120 ASP HB3 H 2.581 0.020 2 1054 100 120 ASP C C 176.680 0.3 1 1055 100 120 ASP CA C 55.026 0.3 1 1056 100 120 ASP CB C 41.006 0.3 1 1057 100 120 ASP N N 120.604 0.3 1 1058 101 121 ASP H H 8.235 0.020 1 1059 101 121 ASP HA H 4.427 0.020 1 1060 101 121 ASP HB2 H 2.646 0.020 1 1061 101 121 ASP HB3 H 2.646 0.020 1 1062 101 121 ASP C C 177.680 0.3 1 1063 101 121 ASP CA C 55.794 0.3 1 1064 101 121 ASP CB C 41.006 0.3 1 1065 101 121 ASP N N 120.501 0.3 1 1066 102 122 LEU H H 8.152 0.020 1 1067 102 122 LEU HA H 4.156 0.020 1 1068 102 122 LEU HB2 H 1.698 0.020 2 1069 102 122 LEU HB3 H 1.635 0.020 2 1070 102 122 LEU HG H 1.586 0.020 1 1071 102 122 LEU HD1 H 0.863 0.020 2 1072 102 122 LEU HD2 H 0.810 0.020 2 1073 102 122 LEU C C 178.559 0.3 1 1074 102 122 LEU CA C 57.106 0.3 1 1075 102 122 LEU CB C 41.339 0.3 1 1076 102 122 LEU CG C 26.662 0.3 1 1077 102 122 LEU CD1 C 24.483 0.3 1 1078 102 122 LEU CD2 C 23.379 0.3 1 1079 102 122 LEU N N 122.350 0.3 1 1080 103 123 GLN H H 8.208 0.020 1 1081 103 123 GLN HA H 4.042 0.020 1 1082 103 123 GLN HB2 H 2.083 0.020 1 1083 103 123 GLN HB3 H 2.083 0.020 1 1084 103 123 GLN HG2 H 2.340 0.020 1 1085 103 123 GLN HG3 H 2.340 0.020 1 1086 103 123 GLN C C 178.063 0.3 1 1087 103 123 GLN CA C 57.811 0.3 1 1088 103 123 GLN CB C 28.252 0.3 1 1089 103 123 GLN CG C 33.563 0.3 1 1090 103 123 GLN N N 118.083 0.3 1 1091 104 124 ARG H H 8.081 0.020 1 1092 104 124 ARG HA H 4.083 0.020 1 1093 104 124 ARG HB2 H 1.823 0.020 1 1094 104 124 ARG HB3 H 1.823 0.020 1 1095 104 124 ARG HG2 H 1.628 0.020 2 1096 104 124 ARG HG3 H 1.565 0.020 2 1097 104 124 ARG HD2 H 3.137 0.020 1 1098 104 124 ARG HD3 H 3.137 0.020 1 1099 104 124 ARG C C 177.313 0.3 1 1100 104 124 ARG CA C 58.180 0.3 1 1101 104 124 ARG CB C 30.086 0.3 1 1102 104 124 ARG CG C 26.679 0.3 1 1103 104 124 ARG CD C 43.050 0.3 1 1104 104 124 ARG N N 120.491 0.3 1 1105 105 125 ALA H H 7.973 0.020 1 1106 105 125 ALA HA H 4.136 0.020 1 1107 105 125 ALA HB H 1.428 0.020 1 1108 105 125 ALA C C 179.780 0.3 1 1109 105 125 ALA CA C 54.194 0.3 1 1110 105 125 ALA CB C 18.387 0.3 1 1111 105 125 ALA N N 122.703 0.3 1 1112 106 126 ILE H H 8.084 0.020 1 1113 106 126 ILE HA H 3.823 0.020 1 1114 106 126 ILE HB H 1.823 0.020 1 1115 106 126 ILE HG12 H 1.470 0.020 2 1116 106 126 ILE HG13 H 1.125 0.020 2 1117 106 126 ILE HG2 H 0.842 0.020 1 1118 106 126 ILE HD1 H 0.779 0.020 1 1119 106 126 ILE C C 177.513 0.3 1 1120 106 126 ILE CA C 63.313 0.3 1 1121 106 126 ILE CB C 38.225 0.3 1 1122 106 126 ILE CG1 C 27.220 0.3 1 1123 106 126 ILE CG2 C 16.821 0.3 1 1124 106 126 ILE CD1 C 12.960 0.3 1 1125 106 126 ILE N N 119.825 0.3 1 1126 107 127 ALA H H 8.058 0.020 1 1127 107 127 ALA HA H 4.125 0.020 1 1128 107 127 ALA HB H 1.417 0.020 1 1129 107 127 ALA C C 179.580 0.3 1 1130 107 127 ALA CA C 54.153 0.3 1 1131 107 127 ALA CB C 18.333 0.3 1 1132 107 127 ALA N N 124.446 0.3 1 1133 108 128 LEU H H 8.120 0.020 1 1134 108 128 LEU HA H 4.239 0.020 1 1135 108 128 LEU HB2 H 1.708 0.020 2 1136 108 128 LEU HB3 H 1.573 0.020 2 1137 108 128 LEU HG H 1.586 0.020 1 1138 108 128 LEU HD1 H 0.842 0.020 2 1139 108 128 LEU HD2 H 0.800 0.020 2 1140 108 128 LEU C C 178.497 0.3 1 1141 108 128 LEU CA C 56.603 0.3 1 1142 108 128 LEU CB C 41.839 0.3 1 1143 108 128 LEU CG C 26.662 0.3 1 1144 108 128 LEU CD1 C 24.475 0.3 1 1145 108 128 LEU CD2 C 23.478 0.3 1 1146 108 128 LEU N N 120.029 0.3 1 1147 109 129 SER H H 8.050 0.020 1 1148 109 129 SER HA H 4.302 0.020 1 1149 109 129 SER HB2 H 3.912 0.020 1 1150 109 129 SER HB3 H 3.912 0.020 1 1151 109 129 SER C C 175.929 0.3 1 1152 109 129 SER CA C 59.857 0.3 1 1153 109 129 SER CB C 63.261 0.3 1 1154 109 129 SER N N 115.677 0.3 1 1155 110 130 LEU H H 8.112 0.020 1 1156 110 130 LEU HA H 4.219 0.020 1 1157 110 130 LEU HB2 H 1.687 0.020 2 1158 110 130 LEU HB3 H 1.552 0.020 2 1159 110 130 LEU HG H 1.586 0.020 1 1160 110 130 LEU HD1 H 0.842 0.020 2 1161 110 130 LEU HD2 H 0.810 0.020 2 1162 110 130 LEU C C 178.180 0.3 1 1163 110 130 LEU CA C 56.301 0.3 1 1164 110 130 LEU CB C 41.922 0.3 1 1165 110 130 LEU CG C 26.664 0.3 1 1166 110 130 LEU CD1 C 24.469 0.3 1 1167 110 130 LEU CD2 C 23.390 0.3 1 1168 110 130 LEU N N 123.126 0.3 1 1169 111 131 ALA H H 7.975 0.020 1 1170 111 131 ALA HA H 4.177 0.020 1 1171 111 131 ALA HB H 1.417 0.020 1 1172 111 131 ALA C C 179.094 0.3 1 1173 111 131 ALA CA C 53.760 0.3 1 1174 111 131 ALA CB C 18.470 0.3 1 1175 111 131 ALA N N 122.648 0.3 1 1176 112 132 GLU H H 8.151 0.020 1 1177 112 132 GLU HA H 4.167 0.020 1 1178 112 132 GLU HB2 H 2.021 0.020 1 1179 112 132 GLU HB3 H 2.021 0.020 1 1180 112 132 GLU HG2 H 2.277 0.020 2 1181 112 132 GLU HG3 H 2.225 0.020 2 1182 112 132 GLU C C 177.563 0.3 1 1183 112 132 GLU CA C 57.561 0.3 1 1184 112 132 GLU CB C 29.753 0.3 1 1185 112 132 GLU CG C 35.947 0.3 1 1186 112 132 GLU N N 118.594 0.3 1 1187 113 133 SER H H 8.158 0.020 1 1188 113 133 SER HA H 4.313 0.020 1 1189 113 133 SER HB2 H 3.901 0.020 1 1190 113 133 SER HB3 H 3.901 0.020 1 1191 113 133 SER C C 177.580 0.3 1 1192 113 133 SER CA C 59.589 0.3 1 1193 113 133 SER CB C 63.428 0.3 1 1194 113 133 SER N N 115.613 0.3 1 1195 114 134 ASN H H 8.246 0.020 1 1196 114 134 ASN HA H 4.667 0.020 1 1197 114 134 ASN HB2 H 2.812 0.020 2 1198 114 134 ASN HB3 H 2.749 0.020 2 1199 114 134 ASN HD21 H 6.924 0.020 1 1200 114 134 ASN HD22 H 7.594 0.020 1 1201 114 134 ASN C C 175.613 0.3 1 1202 114 134 ASN CA C 53.717 0.3 1 1203 114 134 ASN CB C 38.475 0.3 1 1204 114 134 ASN N N 120.043 0.3 1 1205 114 134 ASN ND2 N 112.661 0.3 1 1206 115 135 ARG H H 8.019 0.020 1 1207 115 135 ARG HA H 4.167 0.020 1 1208 115 135 ARG HB2 H 1.781 0.020 1 1209 115 135 ARG HB3 H 1.781 0.020 1 1210 115 135 ARG HG2 H 1.638 0.020 2 1211 115 135 ARG HG3 H 1.544 0.020 2 1212 115 135 ARG HD2 H 3.137 0.020 1 1213 115 135 ARG HD3 H 3.137 0.020 1 1214 115 135 ARG C C 176.277 0.3 1 1215 115 135 ARG CA C 57.005 0.3 1 1216 115 135 ARG CB C 30.420 0.3 1 1217 115 135 ARG CG C 26.661 0.3 1 1218 115 135 ARG CD C 43.057 0.3 1 1219 115 135 ARG N N 120.927 0.3 1 1220 116 136 ALA H H 8.136 0.020 1 1221 116 136 ALA HA H 4.188 0.020 1 1222 116 136 ALA HB H 1.272 0.020 1 1223 116 136 ALA C C 177.763 0.3 1 1224 116 136 ALA CA C 52.869 0.3 1 1225 116 136 ALA CB C 18.887 0.3 1 1226 116 136 ALA N N 123.318 0.3 1 1227 117 137 PHE H H 8.054 0.020 1 1228 117 137 PHE HA H 4.490 0.020 1 1229 117 137 PHE HB2 H 3.063 0.020 1 1230 117 137 PHE HB3 H 3.063 0.020 1 1231 117 137 PHE C C 175.813 0.3 1 1232 117 137 PHE CA C 58.128 0.3 1 1233 117 137 PHE CB C 39.255 0.3 1 1234 117 137 PHE N N 118.959 0.3 1 1235 118 138 ARG H H 8.015 0.020 1 1236 118 138 ARG HA H 4.208 0.020 1 1237 118 138 ARG HB2 H 1.719 0.020 1 1238 118 138 ARG HB3 H 1.719 0.020 1 1239 118 138 ARG HG2 H 1.523 0.020 1 1240 118 138 ARG HG3 H 1.523 0.020 1 1241 118 138 ARG HD2 H 3.126 0.020 1 1242 118 138 ARG HD3 H 3.126 0.020 1 1243 118 138 ARG C C 175.946 0.3 1 1244 118 138 ARG CA C 56.061 0.3 1 1245 118 138 ARG CB C 30.836 0.3 1 1246 118 138 ARG CG C 26.676 0.3 1 1247 118 138 ARG CD C 43.034 0.3 1 1248 118 138 ARG N N 122.109 0.3 1 1249 119 139 GLU H H 8.393 0.020 1 1250 119 139 GLU HA H 4.239 0.020 1 1251 119 139 GLU HB2 H 2.031 0.020 2 1252 119 139 GLU HB3 H 1.927 0.020 2 1253 119 139 GLU HG2 H 2.330 0.020 2 1254 119 139 GLU HG3 H 2.214 0.020 2 1255 119 139 GLU C C 176.746 0.3 1 1256 119 139 GLU CA C 56.794 0.3 1 1257 119 139 GLU CB C 29.973 0.3 1 1258 119 139 GLU CG C 33.641 0.3 1 1259 119 139 GLU N N 121.728 0.3 1 1260 120 140 THR H H 8.143 0.020 1 1261 120 140 THR HA H 4.281 0.020 1 1262 120 140 THR HB H 4.208 0.020 1 1263 120 140 THR HG2 H 1.156 0.020 1 1264 120 140 THR C C 175.113 0.3 1 1265 120 140 THR CA C 62.038 0.3 1 1266 120 140 THR CB C 70.096 0.3 1 1267 120 140 THR CG2 C 21.183 0.3 1 1268 120 140 THR N N 113.981 0.3 1 1269 121 141 GLY H H 8.423 0.020 1 1270 121 141 GLY HA2 H 3.897 0.020 1 1271 121 141 GLY HA3 H 3.897 0.020 1 1272 121 141 GLY C C 173.879 0.3 1 1273 121 141 GLY CA C 45.296 0.3 1 1274 121 141 GLY N N 111.183 0.3 1 1275 122 142 ILE H H 7.963 0.020 1 1276 122 142 ILE HA H 4.219 0.020 1 1277 122 142 ILE HB H 1.823 0.020 1 1278 122 142 ILE HG12 H 1.387 0.020 2 1279 122 142 ILE HG13 H 1.104 0.020 2 1280 122 142 ILE HG2 H 0.852 0.020 1 1281 122 142 ILE HD1 H 0.789 0.020 1 1282 122 142 ILE C C 176.563 0.3 1 1283 122 142 ILE CA C 61.099 0.3 1 1284 122 142 ILE CB C 38.475 0.3 1 1285 122 142 ILE CG1 C 27.146 0.3 1 1286 122 142 ILE CG2 C 17.047 0.3 1 1287 122 142 ILE CD1 C 12.522 0.3 1 1288 122 142 ILE N N 120.008 0.3 1 1289 123 143 THR H H 8.299 0.020 1 1290 123 143 THR HA H 4.323 0.020 1 1291 123 143 THR HB H 4.208 0.020 1 1292 123 143 THR HG2 H 1.146 0.020 1 1293 123 143 THR C C 174.460 0.3 1 1294 123 143 THR CA C 61.602 0.3 1 1295 123 143 THR CB C 70.096 0.3 1 1296 123 143 THR CG2 C 21.193 0.3 1 1297 123 143 THR N N 117.747 0.3 1 1298 124 144 ASP H H 8.421 0.020 1 1299 124 144 ASP HA H 4.500 0.020 1 1300 124 144 ASP HB2 H 2.644 0.020 2 1301 124 144 ASP HB3 H 2.592 0.020 2 1302 124 144 ASP C C 176.980 0.3 1 1303 124 144 ASP CA C 55.061 0.3 1 1304 124 144 ASP CB C 40.839 0.3 1 1305 124 144 ASP N N 122.489 0.3 1 1306 125 145 GLU H H 8.487 0.020 1 1307 125 145 GLU HA H 4.125 0.020 1 1308 125 145 GLU HB2 H 1.979 0.020 1 1309 125 145 GLU HB3 H 1.979 0.020 1 1310 125 145 GLU HG2 H 2.225 0.020 1 1311 125 145 GLU HG3 H 2.225 0.020 1 1312 125 145 GLU C C 177.311 0.3 1 1313 125 145 GLU CA C 57.744 0.3 1 1314 125 145 GLU CB C 30.003 0.3 1 1315 125 145 GLU CG C 35.943 0.3 1 1316 125 145 GLU N N 121.221 0.3 1 1317 126 146 GLU H H 8.265 0.020 1 1318 126 146 GLU HA H 4.094 0.020 1 1319 126 146 GLU HB2 H 1.979 0.020 1 1320 126 146 GLU HB3 H 1.979 0.020 1 1321 126 146 GLU HG2 H 2.214 0.020 1 1322 126 146 GLU HG3 H 2.214 0.020 1 1323 126 146 GLU C C 177.544 0.3 1 1324 126 146 GLU CA C 57.661 0.3 1 1325 126 146 GLU CB C 29.669 0.3 1 1326 126 146 GLU CG C 35.954 0.3 1 1327 126 146 GLU N N 120.779 0.3 1 1328 127 147 GLN H H 8.259 0.020 1 1329 127 147 GLN HA H 4.167 0.020 1 1330 127 147 GLN HB2 H 2.052 0.020 2 1331 127 147 GLN HB3 H 1.958 0.020 2 1332 127 147 GLN HG2 H 2.298 0.020 2 1333 127 147 GLN HG3 H 2.204 0.020 2 1334 127 147 GLN C C 176.410 0.3 1 1335 127 147 GLN CA C 56.561 0.3 1 1336 127 147 GLN CB C 29.003 0.3 1 1337 127 147 GLN CG C 33.670 0.3 1 1338 127 147 GLN N N 120.130 0.3 1 1339 128 148 ALA H H 8.136 0.020 1 1340 128 148 ALA HA H 4.198 0.020 1 1341 128 148 ALA HB H 1.365 0.020 1 1342 128 148 ALA C C 178.494 0.3 1 1343 128 148 ALA CA C 53.327 0.3 1 1344 128 148 ALA CB C 18.803 0.3 1 1345 128 148 ALA N N 123.930 0.3 1 1346 129 149 ILE H H 7.957 0.020 1 1347 129 149 ILE HA H 4.021 0.020 1 1348 129 149 ILE HB H 1.833 0.020 1 1349 129 149 ILE HG12 H 1.387 0.020 2 1350 129 149 ILE HG13 H 1.125 0.020 2 1351 129 149 ILE HG2 H 0.852 0.020 1 1352 129 149 ILE HD1 H 0.800 0.020 1 1353 129 149 ILE C C 176.861 0.3 1 1354 129 149 ILE CA C 61.971 0.3 1 1355 129 149 ILE CB C 38.505 0.3 1 1356 129 149 ILE CG1 C 26.654 0.3 1 1357 129 149 ILE CG2 C 17.078 0.3 1 1358 129 149 ILE CD1 C 12.525 0.3 1 1359 129 149 ILE N N 119.059 0.3 1 1360 130 150 SER H H 8.185 0.020 1 1361 130 150 SER HA H 4.396 0.020 1 1362 130 150 SER HB2 H 3.849 0.020 2 1363 130 150 SER HB3 H 3.776 0.020 2 1364 130 150 SER C C 174.929 0.3 1 1365 130 150 SER CA C 59.119 0.3 1 1366 130 150 SER CB C 63.344 0.3 1 1367 130 150 SER N N 118.211 0.3 1 1368 131 151 ARG H H 8.187 0.020 1 1369 131 151 ARG HA H 4.281 0.020 1 1370 131 151 ARG HB2 H 1.792 0.020 1 1371 131 151 ARG HB3 H 1.792 0.020 1 1372 131 151 ARG HG2 H 1.638 0.020 2 1373 131 151 ARG HG3 H 1.554 0.020 2 1374 131 151 ARG HD2 H 3.126 0.020 1 1375 131 151 ARG HD3 H 3.126 0.020 1 1376 131 151 ARG C C 176.859 0.3 1 1377 131 151 ARG CA C 56.794 0.3 1 1378 131 151 ARG CB C 30.556 0.3 1 1379 131 151 ARG CG C 26.663 0.3 1 1380 131 151 ARG CD C 43.043 0.3 1 1381 131 151 ARG N N 122.705 0.3 1 1382 132 152 VAL H H 7.968 0.020 1 1383 132 152 VAL HA H 3.927 0.020 1 1384 132 152 VAL HB H 2.050 0.020 1 1385 132 152 VAL HG1 H 0.905 0.020 2 1386 132 152 VAL HG2 H 0.873 0.020 2 1387 132 152 VAL C C 176.792 0.3 1 1388 132 152 VAL CA C 63.347 0.3 1 1389 132 152 VAL CB C 32.003 0.3 1 1390 132 152 VAL CG1 C 20.653 0.3 1 1391 132 152 VAL CG2 C 20.671 0.3 1 1392 132 152 VAL N N 121.047 0.3 1 1393 133 153 LEU H H 8.216 0.020 1 1394 133 153 LEU HA H 4.240 0.020 1 1395 133 153 LEU HB2 H 1.625 0.020 2 1396 133 153 LEU HB3 H 1.562 0.020 2 1397 133 153 LEU HG H 1.586 0.020 1 1398 133 153 LEU HD1 H 0.863 0.020 2 1399 133 153 LEU HD2 H 0.800 0.020 2 1400 133 153 LEU C C 177.813 0.3 1 1401 133 153 LEU CA C 55.730 0.3 1 1402 133 153 LEU CB C 41.922 0.3 1 1403 133 153 LEU CG C 26.662 0.3 1 1404 133 153 LEU CD1 C 24.482 0.3 1 1405 133 153 LEU CD2 C 23.374 0.3 1 1406 133 153 LEU N N 124.988 0.3 1 1407 134 154 GLU H H 8.321 0.020 1 1408 134 154 GLU HA H 4.115 0.020 1 1409 134 154 GLU HB2 H 1.979 0.020 1 1410 134 154 GLU HB3 H 1.979 0.020 1 1411 134 154 GLU HG2 H 2.319 0.020 2 1412 134 154 GLU HG3 H 2.225 0.020 2 1413 134 154 GLU C C 176.813 0.3 1 1414 134 154 GLU CA C 57.294 0.3 1 1415 134 154 GLU CB C 29.920 0.3 1 1416 134 154 GLU CG C 35.950 0.3 1 1417 134 154 GLU N N 121.365 0.3 1 1418 135 155 ALA H H 8.175 0.020 1 1419 135 155 ALA HA H 4.250 0.020 1 1420 135 155 ALA HB H 1.386 0.020 1 1421 135 155 ALA C C 178.197 0.3 1 1422 135 155 ALA CA C 53.036 0.3 1 1423 135 155 ALA CB C 18.750 0.3 1 1424 135 155 ALA N N 123.906 0.3 1 1425 136 156 SER H H 8.175 0.020 1 1426 136 156 SER HA H 4.364 0.020 1 1427 136 156 SER HB2 H 3.865 0.020 1 1428 136 156 SER HB3 H 3.865 0.020 1 1429 136 156 SER C C 174.979 0.3 1 1430 136 156 SER CA C 58.927 0.3 1 1431 136 156 SER CB C 63.845 0.3 1 1432 136 156 SER N N 114.678 0.3 1 1433 137 157 ILE H H 7.999 0.020 1 1434 137 157 ILE HA H 4.073 0.020 1 1435 137 157 ILE HB H 1.854 0.020 1 1436 137 157 ILE HG12 H 1.460 0.020 2 1437 137 157 ILE HG13 H 1.125 0.020 2 1438 137 157 ILE HG2 H 0.873 0.020 1 1439 137 157 ILE HD1 H 0.810 0.020 1 1440 137 157 ILE C C 176.480 0.3 1 1441 137 157 ILE CA C 61.803 0.3 1 1442 137 157 ILE CB C 38.422 0.3 1 1443 137 157 ILE CG1 C 27.198 0.3 1 1444 137 157 ILE CG2 C 17.114 0.3 1 1445 137 157 ILE CD1 C 12.493 0.3 1 1446 137 157 ILE N N 122.140 0.3 1 1447 138 158 ALA H H 8.175 0.020 1 1448 138 158 ALA HA H 4.208 0.020 1 1449 138 158 ALA HB H 1.355 0.020 1 1450 138 158 ALA C C 178.130 0.3 1 1451 138 158 ALA CA C 53.013 0.3 1 1452 138 158 ALA CB C 18.833 0.3 1 1453 138 158 ALA N N 126.398 0.3 1 1454 139 159 GLU H H 8.247 0.020 1 1455 139 159 GLU HA H 4.146 0.020 1 1456 139 159 GLU HB2 H 1.958 0.020 1 1457 139 159 GLU HB3 H 1.958 0.020 1 1458 139 159 GLU HG2 H 2.214 0.020 1 1459 139 159 GLU HG3 H 2.214 0.020 1 1460 139 159 GLU C C 176.496 0.3 1 1461 139 159 GLU CA C 57.039 0.3 1 1462 139 159 GLU CB C 30.086 0.3 1 1463 139 159 GLU CG C 35.951 0.3 1 1464 139 159 GLU N N 119.538 0.3 1 1465 140 160 ASN H H 8.310 0.020 1 1466 140 160 ASN HA H 4.604 0.020 1 1467 140 160 ASN HB2 H 2.792 0.020 2 1468 140 160 ASN HB3 H 2.707 0.020 2 1469 140 160 ASN HD21 H 6.924 0.020 1 1470 140 160 ASN HD22 H 7.584 0.020 1 1471 140 160 ASN C C 175.563 0.3 1 1472 140 160 ASN CA C 53.460 0.3 1 1473 140 160 ASN CB C 38.422 0.3 1 1474 140 160 ASN N N 119.383 0.3 1 1475 140 160 ASN ND2 N 112.648 0.3 1 1476 141 161 LYS H H 8.234 0.020 1 1477 141 161 LYS HA H 4.229 0.020 1 1478 141 161 LYS HB2 H 1.823 0.020 2 1479 141 161 LYS HB3 H 1.708 0.020 2 1480 141 161 LYS HG2 H 1.397 0.020 2 1481 141 161 LYS HG3 H 1.355 0.020 2 1482 141 161 LYS HD2 H 1.617 0.020 1 1483 141 161 LYS HD3 H 1.617 0.020 1 1484 141 161 LYS HE2 H 2.916 0.020 1 1485 141 161 LYS HE3 H 2.916 0.020 1 1486 141 161 LYS C C 176.627 0.3 1 1487 141 161 LYS CA C 56.703 0.3 1 1488 141 161 LYS CB C 32.503 0.3 1 1489 141 161 LYS CG C 24.470 0.3 1 1490 141 161 LYS CD C 28.626 0.3 1 1491 141 161 LYS CE C 41.438 0.3 1 1492 141 161 LYS N N 121.562 0.3 1 1493 142 162 ALA H H 8.181 0.020 1 1494 142 162 ALA HA H 4.240 0.020 1 1495 142 162 ALA HB H 1.354 0.020 1 1496 142 162 ALA C C 177.697 0.3 1 1497 142 162 ALA CA C 52.912 0.3 1 1498 142 162 ALA CB C 18.750 0.3 1 1499 142 162 ALA N N 123.773 0.3 1 1500 143 163 CYS H H 8.137 0.020 1 1501 143 163 CYS HA H 4.396 0.020 1 1502 143 163 CYS HB2 H 2.885 0.020 1 1503 143 163 CYS HB3 H 2.885 0.020 1 1504 143 163 CYS C C 174.429 0.3 1 1505 143 163 CYS CA C 58.482 0.3 1 1506 143 163 CYS CB C 27.502 0.3 1 1507 143 163 CYS N N 117.659 0.3 1 1508 144 164 LEU H H 8.149 0.020 1 1509 144 164 LEU HA H 4.292 0.020 1 1510 144 164 LEU HB2 H 1.562 0.020 1 1511 144 164 LEU HB3 H 1.562 0.020 1 1512 144 164 LEU HG H 1.586 0.020 1 1513 144 164 LEU HD1 H 0.873 0.020 2 1514 144 164 LEU HD2 H 0.800 0.020 2 1515 144 164 LEU C C 176.930 0.3 1 1516 144 164 LEU CA C 55.170 0.3 1 1517 144 164 LEU CB C 42.339 0.3 1 1518 144 164 LEU CG C 26.649 0.3 1 1519 144 164 LEU CD1 C 24.477 0.3 1 1520 144 164 LEU CD2 C 23.392 0.3 1 1521 144 164 LEU N N 124.377 0.3 1 1522 145 165 LYS H H 8.205 0.020 1 1523 145 165 LYS HA H 4.281 0.020 1 1524 145 165 LYS HB2 H 1.781 0.020 2 1525 145 165 LYS HB3 H 1.698 0.020 2 1526 145 165 LYS HG2 H 1.408 0.020 2 1527 145 165 LYS HG3 H 1.355 0.020 2 1528 145 165 LYS HD2 H 1.617 0.020 1 1529 145 165 LYS HD3 H 1.617 0.020 1 1530 145 165 LYS HE2 H 2.927 0.020 1 1531 145 165 LYS HE3 H 2.927 0.020 1 1532 145 165 LYS C C 175.313 0.3 1 1533 145 165 LYS CA C 56.194 0.3 1 1534 145 165 LYS CB C 32.754 0.3 1 1535 145 165 LYS CG C 24.472 0.3 1 1536 145 165 LYS CD C 28.593 0.3 1 1537 145 165 LYS CE C 41.436 0.3 1 1538 145 165 LYS N N 122.963 0.3 1 1539 146 166 ARG H H 7.976 0.020 1 1540 146 166 ARG HA H 4.188 0.020 1 1541 146 166 ARG HB2 H 1.586 0.020 1 1542 146 166 ARG HB3 H 1.586 0.020 1 1543 146 166 ARG HG2 H 1.366 0.020 1 1544 146 166 ARG HG3 H 1.366 0.020 1 1545 146 166 ARG HD2 H 3.032 0.020 1 1546 146 166 ARG HD3 H 3.032 0.020 1 1547 146 166 ARG C C 180.914 0.3 1 1548 146 166 ARG CA C 57.307 0.3 1 1549 146 166 ARG CB C 31.420 0.3 1 1550 146 166 ARG CG C 26.656 0.3 1 1551 146 166 ARG CD C 43.040 0.3 1 1552 146 166 ARG N N 128.435 0.3 1 stop_ save_