data_27893 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Constutively active Mutant D99N LicT-CAT-PRD1 ; _BMRB_accession_number 27893 _BMRB_flat_file_name bmr27893.str _Entry_type original _Submission_date 2019-05-07 _Accession_date 2019-05-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Assignment of an activated mutant fragment of the antitermination protein LicT, comprising the RNA module and the first PRD regulation module. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Yinshan . . 2 Declerck Nathalie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 771 "13C chemical shifts" 485 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-31 update BMRB 'update entry citation' 2019-09-06 update author 'update assignment table' 2019-05-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 5362 'Native form of the fragment' stop_ _Original_release_date 2019-05-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR chemical shift assignment of a constitutively active fragment of the antitermination protein LicT ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31612430 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Yinshan . . 2 Declerck Nathalie . . 3 Demene Helene . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 14 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19 _Page_last 23 _Year 2020 _Details . loop_ _Keyword BglG-like LicT 'antitermination protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'D99-LicT-CAT-PRD1 dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'D99-LicT-CAT-PRD1, chain 1' $LicT 'D99-LicT-CAT-PRD1, chain 2' $LicT 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_LicT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LicT _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'antitermination protein' 'bacterial metabolism of sugars' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; MKIAKVINNNVISVVNEQGK ELVVMGRGLAFQKKSGDDVD EARIEKVFTLDNKDVSEKFK TLLYDIPIECMEVSEEIISY AKLQLGKKLNDSIYVSLTNH INFAIQRNQKGLDIKNALLW ETKRLYKDEFAIGKEALVMV KNKTGVSLPEDEAGFIALHI VNAELNELQHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ILE 4 ALA 5 LYS 6 VAL 7 ILE 8 ASN 9 ASN 10 ASN 11 VAL 12 ILE 13 SER 14 VAL 15 VAL 16 ASN 17 GLU 18 GLN 19 GLY 20 LYS 21 GLU 22 LEU 23 VAL 24 VAL 25 MET 26 GLY 27 ARG 28 GLY 29 LEU 30 ALA 31 PHE 32 GLN 33 LYS 34 LYS 35 SER 36 GLY 37 ASP 38 ASP 39 VAL 40 ASP 41 GLU 42 ALA 43 ARG 44 ILE 45 GLU 46 LYS 47 VAL 48 PHE 49 THR 50 LEU 51 ASP 52 ASN 53 LYS 54 ASP 55 VAL 56 SER 57 GLU 58 LYS 59 PHE 60 LYS 61 THR 62 LEU 63 LEU 64 TYR 65 ASP 66 ILE 67 PRO 68 ILE 69 GLU 70 CYS 71 MET 72 GLU 73 VAL 74 SER 75 GLU 76 GLU 77 ILE 78 ILE 79 SER 80 TYR 81 ALA 82 LYS 83 LEU 84 GLN 85 LEU 86 GLY 87 LYS 88 LYS 89 LEU 90 ASN 91 ASP 92 SER 93 ILE 94 TYR 95 VAL 96 SER 97 LEU 98 THR 99 ASN 100 HIS 101 ILE 102 ASN 103 PHE 104 ALA 105 ILE 106 GLN 107 ARG 108 ASN 109 GLN 110 LYS 111 GLY 112 LEU 113 ASP 114 ILE 115 LYS 116 ASN 117 ALA 118 LEU 119 LEU 120 TRP 121 GLU 122 THR 123 LYS 124 ARG 125 LEU 126 TYR 127 LYS 128 ASP 129 GLU 130 PHE 131 ALA 132 ILE 133 GLY 134 LYS 135 GLU 136 ALA 137 LEU 138 VAL 139 MET 140 VAL 141 LYS 142 ASN 143 LYS 144 THR 145 GLY 146 VAL 147 SER 148 LEU 149 PRO 150 GLU 151 ASP 152 GLU 153 ALA 154 GLY 155 PHE 156 ILE 157 ALA 158 LEU 159 HIS 160 ILE 161 VAL 162 ASN 163 ALA 164 GLU 165 LEU 166 ASN 167 GLU 168 LEU 169 GLN 170 HIS 171 HIS 172 HIS 173 HIS 174 HIS 175 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LicT 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $LicT 'recombinant technology' . Escherichia coli . 'PET15 derivative' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_norm _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LicT 800 uM '[U-99% 13C; U-99% 15N]' TRIS 10 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' benzamidine 0.2 mM 'natural abundance' stop_ save_ save_sample_1_D20 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $LicT 350 uM 300 400 '[U-99% 13C; U-99% 15N]' TRIS 10 mM . . 'natural abundance' 'sodium chloride' 200 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' EDTA 0.2 mM . . 'natural abundance' benzamidine 0.2 mM . . 'natural abundance' stop_ save_ save_samplepH64 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LicT 600 uM '[U-99% 13C; U-99% 15N]' Phosphate 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' benzamidine 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Saveframe_category software _Name GIFA _Version . loop_ _Vendor _Address _Electronic_address 'Marc Andre Delsuc' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Xplor _Saveframe_category software _Name Xplor _Version . loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_norm save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1_norm save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1_norm save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1_norm save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1_norm save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1_norm save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1_norm save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1_D20 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1_D20 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $samplepH64 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $samplepH64 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' 0.2 40 M pH 8 . pH pressure 1 . atm temperature 308 . K stop_ save_ save_sample_condition_pH64 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 40 M pH 8 . pH pressure 1 . atm temperature 303 . 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 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-13C HSQC' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1_norm $sample_1_D20 $samplepH64 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'D99-LicT-CAT-PRD1, chain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.803 0.01 1 2 1 1 MET HB2 H 2.016 0.01 1 3 1 1 MET HB3 H 1.858 0.01 1 4 1 1 MET C C 173.89 0.01 1 5 1 1 MET CA C 56.29 0.01 1 6 1 1 MET CB C 35.92 0.01 1 7 2 2 LYS H H 8.892 0.01 1 8 2 2 LYS HA H 5.079 0.01 1 9 2 2 LYS HB2 H 1.813 0.01 1 10 2 2 LYS HB3 H 1.671 0.01 1 11 2 2 LYS C C 176.95 0.01 1 12 2 2 LYS CA C 54.22 0.01 1 13 2 2 LYS CB C 35.66 0.01 1 14 2 2 LYS N N 124.72 0.01 1 15 3 3 ILE H H 8.839 0.01 1 16 3 3 ILE HA H 3.520 0.01 1 17 3 3 ILE HB H 1.848 0.01 1 18 3 3 ILE HG2 H 0.627 0.01 1 19 3 3 ILE HD1 H 0.711 0.01 1 20 3 3 ILE C C 176.70 0.01 1 21 3 3 ILE CA C 64.01 0.01 1 22 3 3 ILE CG2 C 17.51 0.01 1 23 3 3 ILE CD1 C 13.90 0.01 1 24 3 3 ILE N N 121.52 0.01 1 25 4 4 ALA H H 9.281 0.01 1 26 4 4 ALA HA H 4.662 0.01 1 27 4 4 ALA HB H 1.438 0.01 1 28 4 4 ALA C C 177.57 0.01 1 29 4 4 ALA CA C 54.25 0.01 1 30 4 4 ALA CB C 18.42 0.01 1 31 4 4 ALA N N 133.40 0.01 1 32 5 5 LYS H H 7.676 0.01 1 33 5 5 LYS HA H 4.520 0.01 1 34 5 5 LYS HB2 H 1.701 0.01 1 35 5 5 LYS HB3 H 1.663 0.01 1 36 5 5 LYS C C 175.00 0.01 1 37 5 5 LYS CA C 55.42 0.01 1 38 5 5 LYS CB C 36.08 0.01 1 39 5 5 LYS N N 116.97 0.01 1 40 6 6 VAL H H 8.902 0.01 1 41 6 6 VAL HA H 3.886 0.01 1 42 6 6 VAL HB H 2.030 0.01 1 43 6 6 VAL HG1 H 0.893 0.01 1 44 6 6 VAL HG2 H 0.762 0.01 1 45 6 6 VAL C C 175.75 0.01 1 46 6 6 VAL CA C 63.90 0.01 1 47 6 6 VAL CB C 32.30 0.01 1 48 6 6 VAL CG1 C 19.73 0.01 1 49 6 6 VAL CG2 C 21.762 0.01 1 50 6 6 VAL N N 125.44 0.01 1 51 7 7 ILE H H 8.219 0.01 1 52 7 7 ILE HA H 4.057 0.01 1 53 7 7 ILE HB H 1.615 0.01 1 54 7 7 ILE HG2 H 0.685 0.01 1 55 7 7 ILE HD1 H 0.676 0.01 1 56 7 7 ILE C C 176.64 0.01 1 57 7 7 ILE CA C 64.23 0.01 1 58 7 7 ILE CG2 C 17.87 0.01 1 59 7 7 ILE CD1 C 12.68 0.01 1 60 7 7 ILE N N 130.27 0.01 1 61 8 8 ASN H H 8.876 0.01 1 62 8 8 ASN HA H 4.486 0.01 1 63 8 8 ASN HB2 H 3.364 0.01 1 64 8 8 ASN HB3 H 3.168 0.01 1 65 8 8 ASN C C 174.02 0.01 1 66 8 8 ASN CA C 53.19 0.01 1 67 8 8 ASN N N 116.96 0.01 1 68 9 9 ASN H H 8.271 0.01 1 69 9 9 ASN HA H 4.294 0.01 1 70 9 9 ASN HB2 H 2.756 0.01 1 71 9 9 ASN HB3 H 2.713 0.01 1 72 9 9 ASN C C 175.35 0.01 1 73 9 9 ASN CA C 56.94 0.01 1 74 9 9 ASN CB C 38.98 0.01 1 75 9 9 ASN N N 111.72 0.01 1 76 10 10 ASN H H 8.751 0.01 1 77 10 10 ASN HA H 5.559 0.01 1 78 10 10 ASN HB2 H 3.299 0.01 1 79 10 10 ASN HB3 H 2.748 0.01 1 80 10 10 ASN C C 174.39 0.01 1 81 10 10 ASN CA C 52.18 0.01 1 82 10 10 ASN CB C 41.66 0.01 1 83 10 10 ASN N N 113.26 0.01 1 84 11 11 VAL H H 7.419 0.01 1 85 11 11 VAL HA H 4.963 0.01 1 86 11 11 VAL HB H 1.665 0.01 1 87 11 11 VAL HG1 H 0.972 0.01 1 88 11 11 VAL HG2 H 0.628 0.01 1 89 11 11 VAL C C 174.05 0.01 1 90 11 11 VAL CA C 62.21 0.01 1 91 11 11 VAL CG1 C 21.79 0.01 1 92 11 11 VAL CG2 C 22.29 0.01 1 93 11 11 VAL N N 119.61 0.01 1 94 12 12 ILE H H 8.925 0.01 1 95 12 12 ILE HA H 5.100 0.01 1 96 12 12 ILE HB H 2.085 0.01 1 97 12 12 ILE HG2 H 0.624 0.01 1 98 12 12 ILE HD1 H 0.581 0.01 1 99 12 12 ILE C C 174.06 0.01 1 100 12 12 ILE CA C 59.13 0.01 1 101 12 12 ILE CG2 C 17.53 0.01 1 102 12 12 ILE CD1 C 16.06 0.01 1 103 12 12 ILE N N 118.79 0.01 1 104 13 13 SER H H 9.011 0.01 1 105 13 13 SER HA H 5.513 0.01 1 106 13 13 SER HB2 H 3.859 0.01 1 107 13 13 SER HB3 H 3.639 0.01 1 108 13 13 SER C C 174.46 0.01 1 109 13 13 SER CA C 57.16 0.01 1 110 13 13 SER CB C 65.50 0.01 1 111 13 13 SER N N 116.11 0.01 1 112 14 14 VAL H H 8.822 0.01 1 113 14 14 VAL HA H 4.523 0.01 1 114 14 14 VAL HB H 1.890 0.01 1 115 14 14 VAL HG1 H 0.927 0.01 1 116 14 14 VAL HG2 H 0.764 0.01 1 117 14 14 VAL C C 173.60 0.01 1 118 14 14 VAL CA C 61.06 0.01 1 119 14 14 VAL CB C 37.85 0.01 1 120 14 14 VAL CG1 C 21.51 0.01 1 121 14 14 VAL CG2 C 21.33 0.01 1 122 14 14 VAL N N 123.77 0.01 1 123 15 15 VAL H H 8.784 0.01 1 124 15 15 VAL HA H 4.898 0.01 1 125 15 15 VAL HB H 1.877 0.01 1 126 15 15 VAL HG1 H 0.884 0.01 1 127 15 15 VAL HG2 H 0.852 0.01 1 128 15 15 VAL C C 176.66 0.01 1 129 15 15 VAL CA C 61.35 0.01 1 130 15 15 VAL CB C 33.31 0.01 1 131 15 15 VAL CG1 C 21.06 0.01 1 132 15 15 VAL CG2 C 20.93 0.01 1 133 15 15 VAL N N 123.89 0.01 1 134 16 16 ASN H H 8.733 0.01 1 135 16 16 ASN HA H 4.843 0.01 1 136 16 16 ASN HB2 H 3.655 0.01 1 137 16 16 ASN HB3 H 2.749 0.01 1 138 16 16 ASN C C 177.17 0.01 1 139 16 16 ASN CA C 51.43 0.01 1 140 16 16 ASN N N 125.58 0.01 1 141 17 17 GLU H H 9.139 0.01 1 142 17 17 GLU HA H 4.108 0.01 1 143 17 17 GLU HB2 H 2.043 0.01 1 144 17 17 GLU HB3 H 2.043 0.01 1 145 17 17 GLU C C 177.50 0.01 1 146 17 17 GLU CA C 59.47 0.01 1 147 17 17 GLU CB C 28.96 0.01 1 148 17 17 GLU N N 118.40 0.01 1 149 18 18 GLN H H 7.500 0.01 1 150 18 18 GLN HA H 4.446 0.01 1 151 18 18 GLN HB2 H 2.317 0.01 1 152 18 18 GLN HB3 H 2.037 0.01 1 153 18 18 GLN C C 176.20 0.01 1 154 18 18 GLN CA C 56.00 0.01 1 155 18 18 GLN CB C 28.84 0.01 1 156 18 18 GLN N N 116.31 0.01 1 157 19 19 GLY H H 8.207 0.01 1 158 19 19 GLY HA2 H 4.180 0.01 2 159 19 19 GLY HA3 H 3.565 0.01 2 160 19 19 GLY C C 174.33 0.01 1 161 19 19 GLY CA C 45.57 0.01 1 162 19 19 GLY N N 108.01 0.01 1 163 20 20 LYS H H 7.871 0.01 1 164 20 20 LYS HA H 4.494 0.01 1 165 20 20 LYS HB2 H 1.809 0.01 1 166 20 20 LYS HB3 H 1.675 0.01 1 167 20 20 LYS C C 175.02 0.01 1 168 20 20 LYS CA C 54.98 0.01 1 169 20 20 LYS CB C 32.79 0.01 1 170 20 20 LYS N N 121.17 0.01 1 171 21 21 GLU H H 8.210 0.01 1 172 21 21 GLU HA H 5.003 0.01 1 173 21 21 GLU HB2 H 2.209 0.01 1 174 21 21 GLU HB3 H 2.038 0.01 1 175 21 21 GLU C C 174.84 0.01 1 176 21 21 GLU CA C 56.38 0.01 1 177 21 21 GLU CB C 31.76 0.01 1 178 21 21 GLU N N 124.26 0.01 1 179 22 22 LEU H H 9.216 0.01 1 180 22 22 LEU HA H 5.536 0.01 1 181 22 22 LEU HB2 H 1.709 0.01 1 182 22 22 LEU HB3 H 1.523 0.01 1 183 22 22 LEU HD1 H 0.873 0.01 1 184 22 22 LEU HD2 H 0.797 0.01 1 185 22 22 LEU C C 177.58 0.01 1 186 22 22 LEU CA C 53.36 0.01 1 187 22 22 LEU CB C 37.80 0.01 1 188 22 22 LEU CD1 C 25.12 0.01 1 189 22 22 LEU CD2 C 25.64 0.01 1 190 22 22 LEU N N 123.27 0.01 1 191 23 23 VAL H H 8.594 0.01 1 192 23 23 VAL HA H 4.621 0.01 1 193 23 23 VAL HB H 1.161 0.01 1 194 23 23 VAL HG1 H 0.413 0.01 1 195 23 23 VAL HG2 H -0.358 0.01 1 196 23 23 VAL C C 174.35 0.01 1 197 23 23 VAL CA C 61.98 0.01 1 198 23 23 VAL CG1 C 21.59 0.01 1 199 23 23 VAL CG2 C 20.42 0.01 1 200 23 23 VAL N N 121.06 0.01 1 201 24 24 VAL H H 8.911 0.01 1 202 24 24 VAL HA H 5.096 0.01 1 203 24 24 VAL HB H 2.071 0.01 1 204 24 24 VAL HG1 H 0.970 0.01 1 205 24 24 VAL HG2 H 0.884 0.01 1 206 24 24 VAL C C 174.11 0.01 1 207 24 24 VAL CA C 60.34 0.01 1 208 24 24 VAL CG1 C 23.82 0.01 1 209 24 24 VAL CG2 C 21.60 0.01 1 210 24 24 VAL N N 125.94 0.01 1 211 25 25 MET H H 9.051 0.01 1 212 25 25 MET HA H 5.905 0.01 1 213 25 25 MET HB2 H 2.187 0.01 1 214 25 25 MET HB3 H 1.939 0.01 1 215 25 25 MET C C 176.36 0.01 1 216 25 25 MET CA C 53.68 0.01 1 217 25 25 MET N N 121.80 0.01 1 218 26 26 GLY H H 8.975 0.01 1 219 26 26 GLY HA2 H 4.540 0.01 2 220 26 26 GLY HA3 H 4.029 0.01 2 221 26 26 GLY C C 172.58 0.01 1 222 26 26 GLY CA C 46.25 0.01 1 223 26 26 GLY N N 112.63 0.01 1 224 27 27 ARG H H 8.449 0.01 1 225 27 27 ARG HA H 4.170 0.01 1 226 27 27 ARG HB2 H 1.819 0.01 1 227 27 27 ARG HB3 H 1.819 0.01 1 228 27 27 ARG C C 178.03 0.01 1 229 27 27 ARG CA C 57.63 0.01 1 230 27 27 ARG CB C 29.40 0.01 1 231 27 27 ARG N N 124.04 0.01 1 232 28 28 GLY H H 9.310 0.01 1 233 28 28 GLY HA2 H 3.990 0.01 2 234 28 28 GLY HA3 H 3.750 0.01 2 235 28 28 GLY C C 176.28 0.01 1 236 28 28 GLY CA C 47.10 0.01 1 237 28 28 GLY N N 115.33 0.01 1 238 29 29 LEU H H 7.558 0.01 1 239 29 29 LEU HA H 3.941 0.01 1 240 29 29 LEU HB2 H 1.495 0.01 1 241 29 29 LEU HB3 H 1.495 0.01 1 242 29 29 LEU HD1 H 0.664 0.01 1 243 29 29 LEU HD2 H 0.647 0.01 1 244 29 29 LEU C C 176.03 0.01 1 245 29 29 LEU CA C 57.38 0.01 1 246 29 29 LEU CB C 43.50 0.01 1 247 29 29 LEU CD1 C 26.26 0.01 1 248 29 29 LEU CD2 C 26.40 0.01 1 249 29 29 LEU N N 120.71 0.01 1 250 30 30 ALA H H 8.506 0.01 1 251 30 30 ALA HA H 4.499 0.01 1 252 30 30 ALA HB H 1.322 0.01 1 253 30 30 ALA C C 176.76 0.01 1 254 30 30 ALA CA C 49.98 0.01 1 255 30 30 ALA CB C 19.94 0.01 1 256 30 30 ALA N N 115.78 0.01 1 257 31 31 PHE H H 7.290 0.01 1 258 31 31 PHE HA H 4.363 0.01 1 259 31 31 PHE HB2 H 3.102 0.01 1 260 31 31 PHE HB3 H 3.010 0.01 1 261 31 31 PHE HD1 H 7.293 0.01 1 262 31 31 PHE HD2 H 7.293 0.01 1 263 31 31 PHE HE1 H 7.385 0.01 1 264 31 31 PHE HE2 H 7.385 0.01 1 265 31 31 PHE HZ H 7.335 0.01 1 266 31 31 PHE C C 175.69 0.01 1 267 31 31 PHE CA C 59.43 0.01 1 268 31 31 PHE CB C 38.90 0.01 1 269 31 31 PHE N N 121.69 0.01 1 270 32 32 GLN H H 8.839 0.01 1 271 32 32 GLN HA H 3.587 0.01 1 272 32 32 GLN HB2 H 2.560 0.01 1 273 32 32 GLN HB3 H 1.008 0.01 1 274 32 32 GLN C C 174.75 0.01 1 275 32 32 GLN CA C 57.50 0.01 1 276 32 32 GLN CB C 25.85 0.01 1 277 32 32 GLN N N 122.17 0.01 1 278 33 33 LYS H H 7.469 0.01 1 279 33 33 LYS HA H 4.787 0.01 1 280 33 33 LYS HB2 H 1.794 0.01 1 281 33 33 LYS HB3 H 1.716 0.01 1 282 33 33 LYS C C 175.09 0.01 1 283 33 33 LYS CA C 53.99 0.01 1 284 33 33 LYS CB C 36.66 0.01 1 285 33 33 LYS N N 116.64 0.01 1 286 34 34 LYS H H 8.888 0.01 1 287 34 34 LYS HA H 4.654 0.01 1 288 34 34 LYS HB2 H 1.760 0.01 1 289 34 34 LYS HB3 H 1.760 0.01 1 290 34 34 LYS C C 175.48 0.01 1 291 34 34 LYS CA C 53.97 0.01 1 292 34 34 LYS N N 118.33 0.01 1 293 35 35 SER H H 8.343 0.01 1 294 35 35 SER HA H 3.699 0.01 1 295 35 35 SER HB2 H 3.860 0.01 1 296 35 35 SER HB3 H 3.800 0.01 1 297 35 35 SER C C 175.43 0.01 1 298 35 35 SER CA C 60.70 0.01 1 299 35 35 SER CB C 62.93 0.01 1 300 35 35 SER N N 113.08 0.01 1 301 36 36 GLY H H 9.270 0.01 1 302 36 36 GLY HA2 H 4.533 0.01 2 303 36 36 GLY HA3 H 3.595 0.01 2 304 36 36 GLY C C 174.30 0.01 1 305 36 36 GLY CA C 45.03 0.01 1 306 36 36 GLY N N 114.99 0.01 1 307 37 37 ASP H H 7.980 0.01 1 308 37 37 ASP HA H 4.784 0.01 1 309 37 37 ASP HB2 H 2.996 0.01 1 310 37 37 ASP HB3 H 2.774 0.01 1 311 37 37 ASP C C 175.77 0.01 1 312 37 37 ASP CA C 54.60 0.01 1 313 37 37 ASP CB C 42.40 0.01 1 314 37 37 ASP N N 120.69 0.01 1 315 38 38 ASP H H 8.420 0.01 1 316 38 38 ASP HA H 5.069 0.01 1 317 38 38 ASP HB2 H 2.620 0.01 1 318 38 38 ASP HB3 H 2.478 0.01 1 319 38 38 ASP C C 176.51 0.01 1 320 38 38 ASP CA C 54.76 0.01 1 321 38 38 ASP CB C 41.98 0.01 1 322 38 38 ASP N N 118.52 0.01 1 323 39 39 VAL H H 8.077 0.01 1 324 39 39 VAL HA H 3.956 0.01 1 325 39 39 VAL HB H 1.780 0.01 1 326 39 39 VAL HG1 H 0.677 0.01 1 327 39 39 VAL HG2 H 0.652 0.01 1 328 39 39 VAL C C 175.57 0.01 1 329 39 39 VAL CA C 61.41 0.01 1 330 39 39 VAL CG1 C 22.05 0.01 1 331 39 39 VAL CG2 C 22.80 0.01 1 332 39 39 VAL N N 118.72 0.01 1 333 40 40 ASP H H 8.612 0.01 1 334 40 40 ASP HA H 4.667 0.01 1 335 40 40 ASP HB2 H 2.819 0.01 1 336 40 40 ASP HB3 H 2.560 0.01 1 337 40 40 ASP C C 176.39 0.01 1 338 40 40 ASP CA C 53.16 0.01 1 339 40 40 ASP N N 126.19 0.01 1 340 41 41 GLU H H 8.656 0.01 1 341 41 41 GLU HA H 3.744 0.01 1 342 41 41 GLU HB2 H 2.167 0.01 1 343 41 41 GLU HB3 H 1.979 0.01 1 344 41 41 GLU C C 178.17 0.01 1 345 41 41 GLU CA C 59.18 0.01 1 346 41 41 GLU CB C 29.52 0.01 1 347 41 41 GLU N N 126.26 0.01 1 348 42 42 ALA H H 8.254 0.01 1 349 42 42 ALA HA H 4.225 0.01 1 350 42 42 ALA HB H 1.453 0.01 1 351 42 42 ALA C C 178.99 0.01 1 352 42 42 ALA CA C 53.99 0.01 1 353 42 42 ALA CB C 18.54 0.01 1 354 42 42 ALA N N 120.52 0.01 1 355 43 43 ARG H H 7.620 0.01 1 356 43 43 ARG HA H 4.344 0.01 1 357 43 43 ARG HB2 H 1.977 0.01 1 358 43 43 ARG HB3 H 1.731 0.01 1 359 43 43 ARG C C 176.17 0.01 1 360 43 43 ARG CA C 55.35 0.01 1 361 43 43 ARG CB C 31.26 0.01 1 362 43 43 ARG N N 114.30 0.01 1 363 44 44 ILE H H 7.079 0.01 1 364 44 44 ILE HA H 3.386 0.01 1 365 44 44 ILE HB H 1.783 0.01 1 366 44 44 ILE HG2 H 0.718 0.01 1 367 44 44 ILE HD1 H 0.849 0.01 1 368 44 44 ILE C C 176.03 0.01 1 369 44 44 ILE CA C 64.76 0.01 1 370 44 44 ILE CG2 C 17.48 0.01 1 371 44 44 ILE CD1 C 14.29 0.01 1 372 44 44 ILE N N 119.24 0.01 1 373 45 45 GLU H H 9.364 0.01 1 374 45 45 GLU HA H 4.562 0.01 1 375 45 45 GLU HB2 H 2.139 0.01 1 376 45 45 GLU HB3 H 2.006 0.01 1 377 45 45 GLU C C 176.53 0.01 1 378 45 45 GLU CA C 57.41 0.01 1 379 45 45 GLU CB C 32.52 0.01 1 380 45 45 GLU N N 127.26 0.01 1 381 46 46 LYS H H 8.041 0.01 1 382 46 46 LYS HA H 4.571 0.01 1 383 46 46 LYS HB2 H 1.677 0.01 1 384 46 46 LYS HB3 H 1.551 0.01 1 385 46 46 LYS C C 173.61 0.01 1 386 46 46 LYS CA C 56.01 0.01 1 387 46 46 LYS N N 117.43 0.01 1 388 47 47 VAL H H 8.303 0.01 1 389 47 47 VAL HA H 4.594 0.01 1 390 47 47 VAL HB H 1.912 0.01 1 391 47 47 VAL HG1 H 0.936 0.01 1 392 47 47 VAL HG2 H 0.918 0.01 1 393 47 47 VAL C C 173.01 0.01 1 394 47 47 VAL CA C 62.05 0.01 1 395 47 47 VAL CG1 C 22.40 0.01 1 396 47 47 VAL CG2 C 21.33 0.01 1 397 47 47 VAL N N 121.71 0.01 1 398 48 48 PHE H H 9.574 0.01 1 399 48 48 PHE HA H 5.286 0.01 1 400 48 48 PHE HB2 H 2.964 0.01 1 401 48 48 PHE HB3 H 2.786 0.01 1 402 48 48 PHE HD1 H 7.042 0.01 1 403 48 48 PHE HD2 H 7.042 0.01 1 404 48 48 PHE HE1 H 7.052 0.01 1 405 48 48 PHE HE2 H 7.052 0.01 1 406 48 48 PHE HZ H 7.185 0.01 1 407 48 48 PHE C C 175.79 0.01 1 408 48 48 PHE CA C 55.64 0.01 1 409 48 48 PHE N N 124.64 0.01 1 410 49 49 THR H H 9.226 0.01 1 411 49 49 THR HA H 5.070 0.01 1 412 49 49 THR HB H 4.185 0.01 1 413 49 49 THR HG2 H 1.241 0.01 1 414 49 49 THR C C 174.71 0.01 1 415 49 49 THR CA C 60.78 0.01 1 416 49 49 THR CB C 70.86 0.01 1 417 49 49 THR CG2 C 21.83 0.01 1 418 49 49 THR N N 115.68 0.01 1 419 50 50 LEU H H 8.450 0.01 1 420 50 50 LEU HA H 3.793 0.01 1 421 50 50 LEU HB2 H 1.722 0.01 1 422 50 50 LEU HB3 H 1.372 0.01 1 423 50 50 LEU HD1 H 0.748 0.01 1 424 50 50 LEU HD2 H 0.332 0.01 1 425 50 50 LEU C C 176.66 0.01 1 426 50 50 LEU CA C 56.54 0.01 1 427 50 50 LEU CB C 42.53 0.01 1 428 50 50 LEU CD1 C 26.01 0.01 1 429 50 50 LEU CD2 C 23.51 0.01 1 430 50 50 LEU N N 127.40 0.01 1 431 51 51 ASP H H 8.996 0.01 1 432 51 51 ASP HA H 4.699 0.01 1 433 51 51 ASP HB2 H 2.629 0.01 1 434 51 51 ASP HB3 H 2.509 0.01 1 435 51 51 ASP C C 175.71 0.01 1 436 51 51 ASP CA C 53.91 0.01 1 437 51 51 ASP N N 127.92 0.01 1 438 52 52 ASN H H 8.354 0.01 1 439 52 52 ASN HA H 4.709 0.01 1 440 52 52 ASN HB2 H 2.730 0.01 1 441 52 52 ASN HB3 H 2.713 0.01 1 442 52 52 ASN C C 175.53 0.01 1 443 52 52 ASN CA C 52.89 0.01 1 444 52 52 ASN N N 122.49 0.01 1 445 53 53 LYS H H 8.503 0.01 1 446 53 53 LYS HA H 4.200 0.01 1 447 53 53 LYS HB2 H 1.790 0.01 1 448 53 53 LYS HB3 H 1.790 0.01 1 449 53 53 LYS C C 176.13 0.01 1 450 53 53 LYS CA C 57.10 0.01 1 451 53 53 LYS N N 122.14 0.01 1 452 54 54 ASP H H 8.125 0.01 1 453 54 54 ASP HA H 4.670 0.01 1 454 54 54 ASP HB2 H 2.722 0.01 1 455 54 54 ASP HB3 H 2.722 0.01 1 456 54 54 ASP C C 176.74 0.01 1 457 54 54 ASP CA C 54.43 0.01 1 458 54 54 ASP N N 120.07 0.01 1 459 55 55 VAL H H 7.715 0.01 1 460 55 55 VAL HA H 4.044 0.01 1 461 55 55 VAL HB H 2.038 0.01 1 462 55 55 VAL HG1 H 0.883 0.01 1 463 55 55 VAL HG2 H 0.883 0.01 1 464 55 55 VAL C C 176.22 0.01 1 465 55 55 VAL CA C 62.94 0.01 1 466 55 55 VAL CG1 C 21.52 0.01 1 467 55 55 VAL CG2 C 21.52 0.01 1 468 55 55 VAL N N 118.31 0.01 1 469 56 56 SER H H 8.256 0.01 1 470 56 56 SER HA H 4.364 0.01 1 471 56 56 SER HB2 H 4.037 0.01 2 472 56 56 SER HB3 H 3.852 0.01 1 473 56 56 SER C C 175.86 0.01 1 474 56 56 SER CA C 59.68 0.01 1 475 56 56 SER N N 118.67 0.01 1 476 57 57 GLU H H 8.422 0.01 1 477 57 57 GLU HA H 4.060 0.01 1 478 57 57 GLU HB2 H 2.049 0.01 1 479 57 57 GLU HB3 H 2.049 0.01 1 480 57 57 GLU C C 178.36 0.01 1 481 57 57 GLU CA C 60.25 0.01 1 482 57 57 GLU N N 124.07 0.01 1 483 58 58 LYS H H 7.998 0.01 1 484 58 58 LYS HA H 3.940 0.01 1 485 58 58 LYS HB2 H 1.582 0.01 1 486 58 58 LYS HB3 H 1.582 0.01 1 487 58 58 LYS C C 177.54 0.01 1 488 58 58 LYS CA C 58.85 0.01 1 489 58 58 LYS N N 119.73 0.01 1 490 59 59 PHE H H 7.676 0.01 1 491 59 59 PHE HA H 4.105 0.01 1 492 59 59 PHE HB2 H 3.124 0.01 1 493 59 59 PHE HB3 H 3.124 0.01 1 494 59 59 PHE HD1 H 7.097 0.01 1 495 59 59 PHE HD2 H 7.097 0.01 1 496 59 59 PHE HE1 H 7.264 0.01 1 497 59 59 PHE HE2 H 7.264 0.01 1 498 59 59 PHE HZ H 7.189 0.01 1 499 59 59 PHE C C 176.42 0.01 1 500 59 59 PHE CA C 60.74 0.01 1 501 59 59 PHE CB C 37.70 0.01 1 502 59 59 PHE N N 116.97 0.01 1 503 60 60 LYS H H 7.806 0.01 1 504 60 60 LYS HA H 3.779 0.01 1 505 60 60 LYS HB2 H 1.817 0.01 1 506 60 60 LYS HB3 H 1.817 0.01 1 507 60 60 LYS C C 177.91 0.01 1 508 60 60 LYS CA C 60.04 0.01 1 509 60 60 LYS N N 117.63 0.01 1 510 61 61 THR H H 8.056 0.01 1 511 61 61 THR HA H 3.876 0.01 1 512 61 61 THR HB H 4.182 0.01 1 513 61 61 THR HG2 H 1.218 0.01 1 514 61 61 THR C C 176.30 0.01 1 515 61 61 THR CA C 65.70 0.01 1 516 61 61 THR CB C 69.06 0.01 1 517 61 61 THR CG2 C 21.88 0.01 1 518 61 61 THR N N 112.21 0.01 1 519 62 62 LEU H H 7.547 0.01 1 520 62 62 LEU HA H 4.133 0.01 1 521 62 62 LEU HB2 H 1.759 0.01 1 522 62 62 LEU HB3 H 1.759 0.01 1 523 62 62 LEU HD1 H 0.864 0.01 1 524 62 62 LEU HD2 H 0.813 0.01 1 525 62 62 LEU C C 178.91 0.01 1 526 62 62 LEU CA C 57.40 0.01 1 527 62 62 LEU CD1 C 23.70 0.01 1 528 62 62 LEU CD2 C 26.66 0.01 1 529 62 62 LEU N N 120.62 0.01 1 530 63 63 LEU H H 7.674 0.01 1 531 63 63 LEU HA H 3.996 0.01 1 532 63 63 LEU HB2 H 1.461 0.01 1 533 63 63 LEU HB3 H 1.461 0.01 1 534 63 63 LEU HD1 H 0.705 0.01 1 535 63 63 LEU HD2 H 0.705 0.01 1 536 63 63 LEU C C 177.90 0.01 1 537 63 63 LEU CA C 57.10 0.01 1 538 63 63 LEU CD1 C 24.78 0.01 1 539 63 63 LEU CD2 C 24.78 0.01 1 540 63 63 LEU N N 118.27 0.01 1 541 64 64 TYR H H 7.844 0.01 1 542 64 64 TYR HA H 4.445 0.01 1 543 64 64 TYR HB2 H 3.164 0.01 1 544 64 64 TYR HB3 H 3.081 0.01 1 545 64 64 TYR HD1 H 7.104 0.01 1 546 64 64 TYR HD2 H 7.104 0.01 1 547 64 64 TYR HE1 H 6.783 0.01 1 548 64 64 TYR HE2 H 6.783 0.01 1 549 64 64 TYR C C 176.50 0.01 1 550 64 64 TYR CA C 58.32 0.01 1 551 64 64 TYR N N 115.72 0.01 1 552 65 65 ASP H H 7.641 0.01 1 553 65 65 ASP HA H 4.742 0.01 1 554 65 65 ASP HB2 H 2.737 0.01 1 555 65 65 ASP HB3 H 2.637 0.01 1 556 65 65 ASP C C 176.35 0.01 1 557 65 65 ASP CA C 54.38 0.01 1 558 65 65 ASP CB C 41.60 0.01 1 559 65 65 ASP N N 118.62 0.01 1 560 66 66 ILE H H 7.340 0.01 1 561 66 66 ILE HA H 4.146 0.01 1 562 66 66 ILE HB H 1.742 0.01 1 563 66 66 ILE HG2 H 0.740 0.01 1 564 66 66 ILE HD1 H 0.678 0.01 1 565 66 66 ILE CA C 59.80 0.01 1 566 66 66 ILE CG2 C 17.15 0.01 1 567 66 66 ILE CD1 C 13.83 0.01 1 568 66 66 ILE N N 122.79 0.01 1 569 67 67 PRO HA H 4.518 0.01 1 570 67 67 PRO HB2 H 2.740 0.01 1 571 67 67 PRO HB3 H 2.551 0.01 1 572 67 67 PRO C C 179.08 0.01 1 573 67 67 PRO CA C 63.30 0.01 1 574 68 68 ILE H H 8.733 0.01 1 575 68 68 ILE HA H 4.000 0.01 1 576 68 68 ILE HB H 1.921 0.01 1 577 68 68 ILE HG2 H 0.960 0.01 1 578 68 68 ILE HD1 H 0.924 0.01 1 579 68 68 ILE C C 177.79 0.01 1 580 68 68 ILE CA C 63.66 0.01 1 581 68 68 ILE CG2 C 17.87 0.01 1 582 68 68 ILE CD1 C 13.65 0.01 1 583 68 68 ILE N N 125.58 0.01 1 584 69 69 GLU H H 9.815 0.01 1 585 69 69 GLU HA H 4.163 0.01 1 586 69 69 GLU HB2 H 2.535 0.01 1 587 69 69 GLU HB3 H 2.150 0.01 1 588 69 69 GLU C C 179.36 0.01 1 589 69 69 GLU CA C 60.57 0.01 1 590 69 69 GLU CB C 33.14 0.01 1 591 69 69 GLU N N 120.73 0.01 1 592 70 70 CYS H H 7.550 0.01 1 593 70 70 CYS HA H 4.057 0.01 1 594 70 70 CYS HB2 H 3.031 0.01 1 595 70 70 CYS HB3 H 2.858 0.01 1 596 70 70 CYS C C 176.98 0.01 1 597 70 70 CYS CA C 62.74 0.01 1 598 70 70 CYS CB C 26.84 0.01 1 599 70 70 CYS N N 115.55 0.01 1 600 71 71 MET H H 7.368 0.01 1 601 71 71 MET HA H 4.191 0.01 1 602 71 71 MET HB2 H 2.225 0.01 1 603 71 71 MET HB3 H 2.225 0.01 1 604 71 71 MET C C 178.22 0.01 1 605 71 71 MET CA C 59.18 0.01 1 606 71 71 MET N N 121.10 0.01 1 607 72 72 GLU H H 8.513 0.01 1 608 72 72 GLU HA H 4.130 0.01 1 609 72 72 GLU HB2 H 2.201 0.01 1 610 72 72 GLU HB3 H 1.979 0.01 1 611 72 72 GLU C C 180.11 0.01 1 612 72 72 GLU CA C 59.66 0.01 1 613 72 72 GLU N N 118.05 0.01 1 614 73 73 VAL H H 8.171 0.01 1 615 73 73 VAL HA H 4.295 0.01 1 616 72 73 VAL HB H 2.091 0.01 1 617 73 73 VAL HG1 H 1.118 0.01 1 618 73 73 VAL HG2 H 1.057 0.01 1 619 73 73 VAL C C 176.78 0.01 1 620 73 73 VAL CA C 64.51 0.01 1 621 73 73 VAL CG1 C 21.31 0.01 1 622 73 73 VAL CG2 C 23.92 0.01 1 623 73 73 VAL N N 117.78 0.01 1 624 74 74 SER H H 7.566 0.01 1 625 74 74 SER HA H 4.104 0.01 1 626 74 74 SER HB2 H 3.878 0.01 1 627 74 74 SER HB3 H 3.675 0.01 1 628 74 74 SER C C 175.90 0.01 1 629 74 74 SER CA C 63.57 0.01 1 630 74 74 SER N N 119.02 0.01 1 631 75 75 GLU H H 7.896 0.01 1 632 75 75 GLU HA H 4.093 0.01 1 633 75 75 GLU HB2 H 2.323 0.01 1 634 75 75 GLU HB3 H 2.262 0.01 1 635 75 75 GLU C C 178.98 0.01 1 636 75 75 GLU CA C 60.49 0.01 1 637 75 75 GLU N N 120.03 0.01 1 638 76 76 GLU H H 7.681 0.01 1 639 76 76 GLU HA H 4.090 0.01 1 640 76 76 GLU HB2 H 2.226 0.01 1 641 76 76 GLU HB3 H 2.226 0.01 1 642 76 76 GLU C C 179.90 0.01 1 643 76 76 GLU CA C 59.97 0.01 1 644 76 76 GLU N N 120.80 0.01 1 645 77 77 ILE H H 8.582 0.01 1 646 77 77 ILE HA H 3.589 0.01 1 647 77 77 ILE HB H 1.941 0.01 1 648 77 77 ILE HG2 H 0.729 0.01 1 649 77 77 ILE HD1 H 0.844 0.01 1 650 77 77 ILE C C 177.41 0.01 1 651 77 77 ILE CA C 65.70 0.01 1 652 77 77 ILE CG2 C 17.47 0.01 1 653 77 77 ILE CD1 C 15.84 0.01 1 654 77 77 ILE N N 121.66 0.01 1 655 78 78 ILE H H 8.454 0.01 1 656 78 78 ILE HA H 3.252 0.01 1 657 78 78 ILE HB H 1.677 0.01 1 658 78 78 ILE HG2 H 0.664 0.01 1 659 78 78 ILE HD1 H 0.250 0.01 1 660 78 78 ILE C C 177.56 0.01 1 661 78 78 ILE CA C 66.50 0.01 1 662 78 78 ILE CG2 C 17.46 0.01 1 663 78 78 ILE CD1 C 14.82 0.01 1 664 78 78 ILE N N 120.82 0.01 1 665 79 79 SER H H 8.338 0.01 1 666 79 79 SER HA H 4.160 0.01 1 667 79 79 SER HB2 H 4.037 0.01 1 668 79 79 SER HB3 H 4.096 0.01 1 669 79 79 SER C C 176.70 0.01 1 670 79 79 SER CA C 62.39 0.01 1 671 79 79 SER N N 115.10 0.01 1 672 80 80 TYR H H 7.828 0.01 1 673 80 80 TYR HA H 4.302 0.01 1 674 80 80 TYR HB2 H 3.222 0.01 1 675 80 80 TYR HB3 H 3.193 0.01 1 676 80 80 TYR HD1 H 6.709 0.01 1 677 80 80 TYR HD2 H 6.709 0.01 1 678 80 80 TYR HE1 H 7.034 0.01 1 679 80 80 TYR HE2 H 7.034 0.01 1 680 80 80 TYR C C 177.07 0.01 1 681 80 80 TYR CA C 61.48 0.01 1 682 80 80 TYR N N 122.59 0.01 1 683 81 81 ALA H H 9.075 0.01 1 684 81 81 ALA HA H 3.741 0.01 1 685 81 81 ALA HB H 1.488 0.01 1 686 81 81 ALA C C 179.28 0.01 1 687 81 81 ALA CA C 55.32 0.01 1 688 81 81 ALA N N 121.64 0.01 1 689 82 82 LYS H H 8.322 0.01 1 690 82 82 LYS HA H 4.043 0.01 1 691 82 82 LYS HB2 H 1.896 0.01 1 692 82 82 LYS HB3 H 1.896 0.01 1 693 82 82 LYS C C 179.45 0.01 1 694 82 82 LYS CA C 60.32 0.01 1 695 82 82 LYS N N 115.91 0.01 1 696 83 83 LEU H H 7.533 0.01 1 697 83 83 LEU HA H 4.146 0.01 1 698 83 83 LEU HB2 H 1.794 0.01 1 699 83 83 LEU HB3 H 1.651 0.01 1 700 83 83 LEU HD1 H 0.901 0.01 1 701 83 83 LEU HD2 H 0.864 0.01 1 702 83 83 LEU C C 179.16 0.01 1 703 83 83 LEU CA C 57.32 0.01 1 704 83 83 LEU CD1 C 24.63 0.01 1 705 83 83 LEU CD2 C 23.71 0.01 1 706 83 83 LEU N N 118.87 0.01 1 707 84 84 GLN H H 8.108 0.01 1 708 84 84 GLN HA H 4.029 0.01 1 709 84 84 GLN HB2 H 1.810 0.01 1 710 84 84 GLN HB3 H 1.810 0.01 1 711 84 84 GLN C C 178.24 0.01 1 712 84 84 GLN CA C 57.15 0.01 1 713 84 84 GLN N N 116.24 0.01 1 714 85 85 LEU H H 8.079 0.01 1 715 85 85 LEU HA H 4.341 0.01 1 716 85 85 LEU HB2 H 1.808 0.01 1 717 85 85 LEU HB3 H 1.663 0.01 1 718 85 85 LEU HD1 H 0.772 0.01 1 719 85 85 LEU HD2 H 0.748 0.01 1 720 85 85 LEU C C 178.32 0.01 1 721 85 85 LEU CA C 55.48 0.01 1 722 85 85 LEU CD1 C 23.18 0.01 1 723 85 85 LEU CD2 C 26.01 0.01 1 724 85 85 LEU N N 115.66 0.01 1 725 86 86 GLY H H 7.769 0.01 1 726 86 86 GLY HA2 H 3.903 0.01 2 727 86 86 GLY HA3 H 3.903 0.01 2 728 86 86 GLY C C 174.27 0.01 1 729 86 86 GLY CA C 46.44 0.01 1 730 86 86 GLY N N 106.76 0.01 1 731 87 87 LYS H H 6.960 0.01 1 732 87 87 LYS HA H 4.604 0.01 1 733 87 87 LYS HB2 H 1.828 0.01 1 734 87 87 LYS HB3 H 1.828 0.01 1 735 87 87 LYS C C 175.33 0.01 1 736 87 87 LYS CA C 54.59 0.01 1 737 87 87 LYS N N 116.38 0.01 1 738 88 88 LYS H H 8.526 0.01 1 739 88 88 LYS HA H 4.307 0.01 1 740 88 88 LYS HB2 H 1.787 0.01 1 741 88 88 LYS HB3 H 1.787 0.01 1 742 88 88 LYS C C 175.52 0.01 1 743 88 88 LYS CA C 56.25 0.01 1 744 88 88 LYS N N 121.33 0.01 1 745 89 89 LEU H H 8.032 0.01 1 746 89 89 LEU HA H 4.935 0.01 1 747 89 89 LEU HB2 H 1.637 0.01 1 748 89 89 LEU HB3 H 1.436 0.01 1 749 89 89 LEU HD1 H 0.749 0.01 1 750 89 89 LEU HD2 H 0.711 0.01 1 751 89 89 LEU C C 177.00 0.01 1 752 89 89 LEU CA C 52.80 0.01 1 753 89 89 LEU CD1 C 26.11 0.01 1 754 89 89 LEU CD2 C 24.40 0.01 1 755 89 89 LEU N N 120.39 0.01 1 756 90 90 ASN H H 9.292 0.01 1 757 90 90 ASN HA H 4.567 0.01 1 758 90 90 ASN HB2 H 2.921 0.01 1 759 90 90 ASN HB3 H 2.462 0.01 1 760 90 90 ASN CA C 53.08 0.01 1 761 90 90 ASN N N 122.63 0.01 1 762 91 91 ASP H H 8.480 0.01 1 763 91 91 ASP HA H 4.609 0.01 1 764 91 91 ASP HB2 H 2.915 0.01 1 765 91 91 ASP HB3 H 2.665 0.01 1 766 91 91 ASP CA C 57.01 0.01 1 767 91 91 ASP N N 119.40 0.01 1 768 92 92 SER HA H 4.532 0.01 1 769 92 92 SER HB2 H 4.290 0.01 1 770 92 92 SER HB3 H 3.968 0.01 1 771 92 92 SER CA C 57.27 0.01 1 772 92 92 SER CB C 68.00 0.01 1 773 93 93 ILE HA H 4.355 0.01 1 774 93 93 ILE HB H 1.680 0.01 1 775 93 93 ILE HG2 H 0.724 0.01 1 776 93 93 ILE HD1 H 0.774 0.01 1 777 93 93 ILE CA C 59.88 0.01 1 778 93 93 ILE CG2 C 17.48 0.01 1 779 93 93 ILE CD1 C 15.24 0.01 1 780 94 94 TYR HA H 3.864 0.01 1 781 94 94 TYR HB2 H 3.124 0.01 1 782 94 94 TYR HB3 H 2.733 0.01 1 783 94 94 TYR HD1 H 7.101 0.01 1 784 94 94 TYR HD2 H 7.101 0.01 1 785 94 94 TYR HE1 H 6.851 0.01 1 786 94 94 TYR HE2 H 6.851 0.01 1 787 94 94 TYR CA C 63.00 0.01 1 788 95 95 VAL H H 7.908 0.01 1 789 95 95 VAL HA H 3.714 0.01 1 790 95 95 VAL HB H 2.008 0.01 1 791 95 95 VAL HG1 H 0.816 0.01 1 792 95 95 VAL HG2 H 0.625 0.01 1 793 95 95 VAL C C 177.22 0.01 1 794 95 95 VAL CA C 65.50 0.01 1 795 95 95 VAL CG1 C 23.40 0.01 1 796 95 95 VAL CG2 C 22.29 0.01 1 797 95 95 VAL N N 118.76 0.01 1 798 96 96 SER H H 7.651 0.01 1 799 96 96 SER HA H 3.878 0.01 1 800 96 96 SER HB2 H 3.865 0.01 1 801 96 96 SER HB3 H 3.659 0.01 1 802 96 96 SER C C 177.82 0.01 1 803 96 96 SER CA C 61.59 0.01 1 804 96 96 SER N N 114.86 0.01 1 805 97 97 LEU H H 8.536 0.01 1 806 97 97 LEU HA H 3.900 0.01 1 807 97 97 LEU HB2 H 1.716 0.01 1 808 97 97 LEU HB3 H 1.716 0.01 1 809 97 97 LEU HD1 H 0.804 0.01 1 810 97 97 LEU HD2 H 0.804 0.01 1 811 97 97 LEU C C 177.65 0.01 1 812 97 97 LEU CA C 57.85 0.01 1 813 97 97 LEU CD1 C 25.60 0.01 1 814 97 97 LEU CD2 C 25.60 0.01 1 815 97 97 LEU N N 122.62 0.01 1 816 98 98 THR H H 7.157 0.01 1 817 98 98 THR HA H 3.791 0.01 1 818 98 98 THR HB H 4.099 0.01 1 819 98 98 THR HG2 H 1.005 0.01 1 820 98 98 THR C C 176.28 0.01 1 821 98 98 THR CA C 67.27 0.01 1 822 98 98 THR CB C 68.52 0.01 1 823 98 98 THR CG2 C 23.23 0.01 1 824 98 98 THR N N 115.32 0.01 1 825 99 99 ASN H H 7.774 0.01 1 826 99 99 ASN HA H 4.451 0.01 1 827 99 99 ASN HB2 H 2.765 0.01 1 828 99 99 ASN HB3 H 2.538 0.01 1 829 99 99 ASN C C 176.23 0.01 1 830 99 99 ASN CA C 56.55 0.01 1 831 99 99 ASN N N 117.15 0.01 1 832 100 100 HIS H H 7.877 0.01 1 833 100 100 HIS HA H 3.796 0.01 1 834 100 100 HIS HB2 H 3.138 0.01 1 835 100 100 HIS HB3 H 3.122 0.01 1 836 100 100 HIS HD2 H 6.392 0.01 1 837 100 100 HIS HE1 H 7.512 0.01 1 838 100 100 HIS C C 178.24 0.01 1 839 100 100 HIS CA C 61.27 0.01 1 840 100 100 HIS N N 117.21 0.01 1 841 101 101 ILE H H 8.709 0.01 1 842 101 101 ILE HA H 3.516 0.01 1 843 101 101 ILE HB H 1.877 0.01 1 844 101 101 ILE HG2 H 0.937 0.01 1 845 101 101 ILE HD1 H 0.747 0.01 1 846 101 101 ILE C C 176.77 0.01 1 847 101 101 ILE CA C 65.48 0.01 1 848 101 101 ILE CG2 C 17.85 0.01 1 849 101 101 ILE CD1 C 12.77 0.01 1 850 101 101 ILE N N 117.73 0.01 1 851 102 102 ASN H H 7.752 0.01 1 852 102 102 ASN HA H 4.546 0.01 1 853 102 102 ASN HB2 H 2.820 0.01 1 854 102 102 ASN HB3 H 2.820 0.01 1 855 102 102 ASN C C 176.80 0.01 1 856 102 102 ASN CA C 57.40 0.01 1 857 102 102 ASN N N 116.14 0.01 1 858 103 103 PHE H H 7.761 0.01 1 859 103 103 PHE HA H 4.307 0.01 1 860 103 103 PHE HB2 H 3.008 0.01 1 861 103 103 PHE HB3 H 3.008 0.01 1 862 103 103 PHE HD1 H 7.260 0.01 1 863 103 103 PHE HD2 H 7.260 0.01 1 864 103 103 PHE HE1 H 7.100 0.01 1 865 103 103 PHE HE2 H 7.100 0.01 1 866 103 103 PHE HZ H 7.316 0.01 1 867 103 103 PHE C C 177.40 0.01 1 868 103 103 PHE CA C 60.96 0.01 1 869 103 103 PHE N N 116.57 0.01 1 870 104 104 ALA H H 8.816 0.01 1 871 104 104 ALA HA H 3.950 0.01 1 872 104 104 ALA HB H 1.366 0.01 1 873 104 104 ALA C C 180.80 0.01 1 874 104 104 ALA CA C 55.28 0.01 1 875 104 104 ALA CB C 18.65 0.01 1 876 104 104 ALA N N 124.23 0.01 1 877 105 105 ILE H H 8.387 0.01 1 878 105 105 ILE HA H 3.560 0.01 1 879 105 105 ILE HB H 2.291 0.01 1 880 105 105 ILE HG2 H 0.895 0.01 1 881 105 105 ILE HD1 H 0.855 0.01 1 882 105 105 ILE C C 177.97 0.01 1 883 105 105 ILE CA C 66.40 0.01 1 884 105 105 ILE CG2 C 16.95 0.01 1 885 105 105 ILE CD1 C 14.29 0.01 1 886 105 105 ILE N N 118.78 0.01 1 887 106 106 GLN H H 7.703 0.01 1 888 106 106 GLN HA H 4.067 0.01 1 889 106 106 GLN HB2 H 2.117 0.01 1 890 106 106 GLN HB3 H 2.058 0.01 1 891 106 106 GLN C C 179.33 0.01 1 892 106 106 GLN CA C 59.70 0.01 1 893 106 106 GLN N N 118.89 0.01 1 894 107 107 ARG H H 8.484 0.01 1 895 107 107 ARG HA H 3.939 0.01 1 896 107 107 ARG HB2 H 1.991 0.01 1 897 107 107 ARG HB3 H 1.991 0.01 1 898 107 107 ARG C C 178.40 0.01 1 899 107 107 ARG CA C 59.98 0.01 1 900 107 107 ARG N N 117.56 0.01 1 901 108 108 ASN H H 7.808 0.01 1 902 108 108 ASN HA H 4.549 0.01 1 903 108 108 ASN HB2 H 2.918 0.01 1 904 108 108 ASN HB3 H 2.620 0.01 1 905 108 108 ASN C C 179.34 0.01 1 906 108 108 ASN CA C 57.82 0.01 1 907 108 108 ASN CB C 41.08 0.01 1 908 108 108 ASN N N 119.72 0.01 1 909 109 109 GLN H H 8.460 0.01 1 910 109 109 GLN HA H 4.160 0.01 1 911 109 109 GLN HB2 H 2.299 0.01 1 912 109 109 GLN HB3 H 2.125 0.01 1 913 109 109 GLN C C 177.83 0.01 1 914 109 109 GLN CA C 58.51 0.01 1 915 109 109 GLN CB C 28.90 0.01 1 916 109 109 GLN N N 118.57 0.01 1 917 110 110 LYS H H 7.512 0.01 1 918 110 110 LYS HA H 4.406 0.01 1 919 110 110 LYS HB2 H 2.075 0.01 1 920 110 110 LYS HB3 H 2.075 0.01 1 921 110 110 LYS C C 176.52 0.01 1 922 110 110 LYS CA C 56.22 0.01 1 923 110 110 LYS N N 116.50 0.01 1 924 111 111 GLY H H 7.788 0.01 1 925 111 111 GLY HA2 H 4.086 0.01 2 926 111 111 GLY HA3 H 4.049 0.01 2 927 111 111 GLY C C 175.53 0.01 1 928 111 111 GLY CA C 46.40 0.01 1 929 111 111 GLY N N 108.31 0.01 1 930 112 112 LEU H H 7.984 0.01 1 931 112 112 LEU HA H 4.664 0.01 1 932 112 112 LEU HB2 H 1.679 0.01 1 933 112 112 LEU HB3 H 1.495 0.01 1 934 112 112 LEU HD1 H 0.911 0.01 1 935 112 112 LEU HD2 H 0.866 0.01 1 936 112 112 LEU C C 175.60 0.01 1 937 112 112 LEU CA C 53.35 0.01 1 938 112 112 LEU CB C 42.33 0.01 1 939 112 112 LEU CD1 C 26.09 0.01 1 940 112 112 LEU CD2 C 23.79 0.01 1 941 112 112 LEU N N 120.84 0.01 1 942 113 113 ASP H H 8.054 0.01 1 943 113 113 ASP HA H 4.555 0.01 1 944 113 113 ASP HB2 H 2.710 0.01 1 945 113 113 ASP HB3 H 2.493 0.01 1 946 113 113 ASP C C 175.93 0.01 1 947 113 113 ASP CA C 54.76 0.01 1 948 113 113 ASP CB C 42.19 0.01 1 949 113 113 ASP N N 120.39 0.01 1 950 114 114 ILE H H 8.582 0.01 1 951 114 114 ILE HA H 4.406 0.01 1 952 114 114 ILE HB H 1.756 0.01 1 953 114 114 ILE HG2 H 0.989 0.01 1 954 114 114 ILE HD1 H 0.901 0.01 1 955 114 114 ILE C C 173.88 0.01 1 956 114 114 ILE CA C 59.87 0.01 1 957 114 114 ILE CG2 C 17.65 0.01 1 958 114 114 ILE CD1 C 14.45 0.01 1 959 114 114 ILE N N 121.23 0.01 1 960 115 115 LYS H H 8.187 0.01 1 961 115 115 LYS HA H 4.607 0.01 1 962 115 115 LYS HB2 H 1.758 0.01 1 963 115 115 LYS HB3 H 1.758 0.01 1 964 115 115 LYS C C 176.02 0.01 1 965 115 115 LYS CA C 54.22 0.01 1 966 115 115 LYS N N 124.30 0.01 1 967 116 116 ASN H H 10.089 0.01 1 968 116 116 ASN HA H 4.795 0.01 1 969 116 116 ASN HB2 H 3.053 0.01 1 970 116 116 ASN HB3 H 2.526 0.01 1 971 116 116 ASN C C 176.35 0.01 1 972 116 116 ASN CA C 50.92 0.01 1 973 116 116 ASN N N 122.39 0.01 1 974 117 117 ALA H H 8.532 0.01 1 975 117 117 ALA HA H 4.291 0.01 1 976 117 117 ALA HB H 1.399 0.01 1 977 117 117 ALA C C 177.68 0.01 1 978 117 117 ALA CA C 54.33 0.01 1 979 117 117 ALA CB C 18.88 0.01 1 980 117 117 ALA N N 128.63 0.01 1 981 118 118 LEU H H 8.151 0.01 1 982 118 118 LEU HA H 4.664 0.01 1 983 118 118 LEU HB2 H 1.887 0.01 1 984 118 118 LEU HB3 H 1.743 0.01 1 985 118 118 LEU HD1 H 0.858 0.01 1 986 118 118 LEU HD2 H 0.677 0.01 1 987 118 118 LEU C C 178.66 0.01 1 988 118 118 LEU CA C 53.60 0.01 1 989 118 118 LEU CD1 C 24.57 0.01 1 990 118 118 LEU CD2 C 22.77 0.01 1 991 118 118 LEU N N 114.51 0.01 1 992 119 119 LEU H H 7.228 0.01 1 993 119 119 LEU HA H 3.508 0.01 1 994 119 119 LEU HB2 H 1.491 0.01 1 995 119 119 LEU HB3 H 1.491 0.01 1 996 119 119 LEU HD1 H 0.611 0.01 1 997 119 119 LEU HD2 H 0.611 0.01 1 998 119 119 LEU C C 176.85 0.01 1 999 119 119 LEU CA C 59.95 0.01 1 1000 119 119 LEU CD1 C 25.46 0.01 1 1001 119 119 LEU CD2 C 25.46 0.01 1 1002 119 119 LEU N N 125.52 0.01 1 1003 120 120 TRP H H 8.027 0.01 1 1004 120 120 TRP HA H 4.095 0.01 1 1005 120 120 TRP HB2 H 3.327 0.01 1 1006 120 120 TRP HB3 H 3.247 0.01 1 1007 120 120 TRP HD1 H 7.278 0.01 1 1008 120 120 TRP HE1 H 10.133 0.01 1 1009 120 120 TRP HE3 H 7.540 0.01 1 1010 120 120 TRP HZ2 H 7.489 0.01 1 1011 120 120 TRP HZ3 H 7.107 0.01 1 1012 120 120 TRP HH2 H 7.238 0.01 1 1013 120 120 TRP C C 179.20 0.01 1 1014 120 120 TRP CA C 60.70 0.01 1 1015 120 120 TRP CB C 28.26 0.01 1 1016 120 120 TRP N N 118.15 0.01 1 1017 121 121 GLU H H 8.388 0.01 1 1018 121 121 GLU HA H 4.301 0.01 1 1019 121 121 GLU HB2 H 1.904 0.01 1 1020 121 121 GLU HB3 H 1.904 0.01 1 1021 121 121 GLU C C 178.77 0.01 1 1022 121 121 GLU CA C 58.44 0.01 1 1023 121 121 GLU N N 119.36 0.01 1 1024 122 122 THR H H 8.173 0.01 1 1025 122 122 THR HA H 3.834 0.01 1 1026 122 122 THR HB H 3.813 0.01 1 1027 122 122 THR HG2 H 1.336 0.01 1 1028 122 122 THR C C 175.09 0.01 1 1029 122 122 THR CA C 68.45 0.01 1 1030 122 122 THR CG2 C 20.93 0.01 1 1031 122 122 THR N N 116.24 0.01 1 1032 123 123 LYS H H 7.472 0.01 1 1033 123 123 LYS HA H 3.121 0.01 1 1034 123 123 LYS HB2 H 1.189 0.01 1 1035 123 123 LYS HB3 H 0.960 0.01 1 1036 123 123 LYS C C 176.86 0.01 1 1037 123 123 LYS CA C 59.71 0.01 1 1038 123 123 LYS CB C 32.01 0.01 1 1039 123 123 LYS N N 119.34 0.01 1 1040 124 124 ARG H H 7.050 0.01 1 1041 124 124 ARG HA H 3.953 0.01 1 1042 124 124 ARG HB2 H 1.750 0.01 1 1043 124 124 ARG HB3 H 1.750 0.01 1 1044 124 124 ARG C C 178.15 0.01 1 1045 124 124 ARG CA C 58.67 0.01 1 1046 124 124 ARG N N 115.03 0.01 1 1047 125 125 LEU H H 7.961 0.01 1 1048 125 125 LEU HA H 4.108 0.01 1 1049 125 125 LEU HB2 H 1.534 0.01 1 1050 125 125 LEU HB3 H 1.534 0.01 1 1051 125 125 LEU HD1 H 0.748 0.01 1 1052 125 125 LEU HD2 H 0.733 0.01 1 1053 125 125 LEU C C 177.36 0.01 1 1054 125 125 LEU CA C 56.47 0.01 1 1055 125 125 LEU CB C 43.63 0.01 1 1056 125 125 LEU CD1 C 26.01 0.01 1 1057 125 125 LEU CD2 C 22.41 0.01 1 1058 125 125 LEU N N 117.21 0.01 1 1059 126 126 TYR H H 8.191 0.01 1 1060 126 126 TYR HA H 5.166 0.01 1 1061 126 126 TYR HB2 H 3.421 0.01 1 1062 126 126 TYR HB3 H 2.734 0.01 1 1063 126 126 TYR HD1 H 7.098 0.01 1 1064 126 126 TYR HD2 H 7.098 0.01 1 1065 126 126 TYR HE1 H 6.767 0.01 1 1066 126 126 TYR HE2 H 6.767 0.01 1 1067 126 126 TYR C C 175.29 0.01 1 1068 126 126 TYR CA C 55.84 0.01 1 1069 126 126 TYR CB C 37.32 0.01 1 1070 126 126 TYR N N 121.82 0.01 1 1071 127 127 LYS H H 7.636 0.01 1 1072 127 127 LYS HA H 4.093 0.01 1 1073 127 127 LYS HB2 H 1.940 0.01 1 1074 127 127 LYS HB3 H 1.877 0.01 1 1075 127 127 LYS C C 180.08 0.01 1 1076 127 127 LYS CA C 60.80 0.01 1 1077 127 127 LYS N N 120.44 0.01 1 1078 128 128 ASP H H 8.859 0.01 1 1079 128 128 ASP HA H 4.545 0.01 1 1080 128 128 ASP HB2 H 2.522 0.01 1 1081 128 128 ASP HB3 H 2.522 0.01 1 1082 128 128 ASP C C 178.97 0.01 1 1083 128 128 ASP CA C 57.64 0.01 1 1084 128 128 ASP N N 120.77 0.01 1 1085 129 129 GLU H H 9.518 0.01 1 1086 129 129 GLU HA H 3.865 0.01 1 1087 129 129 GLU HB2 H 1.938 0.01 1 1088 129 129 GLU HB3 H 1.697 0.01 1 1089 129 129 GLU C C 178.58 0.01 1 1090 129 129 GLU CA C 62.19 0.01 1 1091 129 129 GLU N N 121.40 0.01 1 1092 130 130 PHE H H 9.387 0.01 1 1093 130 130 PHE HA H 3.911 0.01 1 1094 130 130 PHE HB2 H 3.190 0.01 1 1095 130 130 PHE HB3 H 2.910 0.01 1 1096 130 130 PHE HD1 H 6.988 0.01 1 1097 130 130 PHE HD2 H 6.988 0.01 1 1098 130 130 PHE HE1 H 7.114 0.01 1 1099 130 130 PHE HE2 H 7.114 0.01 1 1100 130 130 PHE HZ H 7.204 0.01 1 1101 130 130 PHE C C 176.23 0.01 1 1102 130 130 PHE CA C 63.16 0.01 1 1103 130 130 PHE CB C 33.08 0.01 1 1104 130 130 PHE N N 121.31 0.01 1 1105 131 131 ALA H H 7.996 0.01 1 1106 131 131 ALA HA H 4.064 0.01 1 1107 131 131 ALA HB H 1.686 0.01 1 1108 131 131 ALA C C 181.55 0.01 1 1109 131 131 ALA CA C 55.72 0.01 1 1110 131 131 ALA CB C 17.70 0.01 1 1111 131 131 ALA N N 120.96 0.01 1 1112 132 132 ILE H H 7.478 0.01 1 1113 132 132 ILE HA H 3.882 0.01 1 1114 132 132 ILE HB H 2.095 0.01 1 1115 132 132 ILE HG2 H 0.886 0.01 1 1116 132 132 ILE HD1 H 0.852 0.01 1 1117 132 132 ILE C C 177.66 0.01 1 1118 132 132 ILE CA C 64.66 0.01 1 1119 132 132 ILE CG2 C 18.26 0.01 1 1120 132 132 ILE CD1 C 13.76 0.01 1 1121 132 132 ILE N N 118.46 0.01 1 1122 133 133 GLY H H 8.324 0.01 1 1123 133 133 GLY HA2 H 3.741 0.01 2 1124 133 133 GLY HA3 H 3.493 0.01 2 1125 133 133 GLY C C 174.61 0.01 1 1126 133 133 GLY CA C 47.42 0.01 1 1127 133 133 GLY N N 108.90 0.01 1 1128 134 134 LYS H H 8.323 0.01 1 1129 134 134 LYS HA H 3.714 0.01 1 1130 134 134 LYS HB2 H 1.696 0.01 1 1131 134 134 LYS HB3 H 1.696 0.01 1 1132 134 134 LYS C C 180.07 0.01 1 1133 134 134 LYS CA C 59.78 0.01 1 1134 134 134 LYS CB C 31.19 0.01 1 1135 134 134 LYS N N 120.16 0.01 1 1136 135 135 GLU H H 7.701 0.01 1 1137 135 135 GLU HA H 4.144 0.01 1 1138 135 135 GLU HB2 H 1.756 0.01 1 1139 135 135 GLU HB3 H 1.700 0.01 1 1140 135 135 GLU C C 179.62 0.01 1 1141 135 135 GLU CA C 58.51 0.01 1 1142 135 135 GLU N N 122.42 0.01 1 1143 136 136 ALA H H 9.057 0.01 1 1144 136 136 ALA HA H 4.067 0.01 1 1145 136 136 ALA HB H 1.596 0.01 1 1146 136 136 ALA C C 179.39 0.01 1 1147 136 136 ALA CA C 54.86 0.01 1 1148 136 136 ALA CB C 18.43 0.01 1 1149 136 136 ALA N N 121.81 0.01 1 1150 137 137 LEU H H 7.500 0.01 1 1151 137 137 LEU HA H 3.899 0.01 1 1152 137 137 LEU HB2 H 2.214 0.01 1 1153 137 137 LEU HB3 H 2.030 0.01 1 1154 137 137 LEU HD1 H 0.797 0.01 1 1155 137 137 LEU HD2 H 0.679 0.01 1 1156 137 137 LEU C C 181.10 0.01 1 1157 137 137 LEU CA C 58.08 0.01 1 1158 137 137 LEU CD1 C 25.64 0.01 1 1159 137 137 LEU CD2 C 22.76 0.01 1 1160 137 137 LEU N N 114.40 0.01 1 1161 138 138 VAL H H 7.314 0.01 1 1162 138 138 VAL HA H 3.604 0.01 1 1163 138 138 VAL HB H 2.407 0.01 1 1164 138 138 VAL HG1 H 1.029 0.01 1 1165 138 138 VAL HG2 H 0.920 0.01 1 1166 138 138 VAL C C 178.14 0.01 1 1167 138 138 VAL CA C 66.57 0.01 1 1168 138 138 VAL CG1 C 22.04 0.01 1 1169 138 138 VAL CG2 C 21.35 0.01 1 1170 138 138 VAL N N 123.32 0.01 1 1171 139 139 MET H H 7.926 0.01 1 1172 139 139 MET HA H 4.082 0.01 1 1173 139 139 MET HB2 H 2.035 0.01 1 1174 139 139 MET HB3 H 1.905 0.01 1 1175 139 139 MET C C 180.05 0.01 1 1176 139 139 MET CA C 59.98 0.01 1 1177 139 139 MET N N 119.63 0.01 1 1178 140 140 VAL H H 8.807 0.01 1 1179 140 140 VAL HA H 3.538 0.01 1 1180 140 140 VAL HB H 2.273 0.01 1 1181 140 140 VAL HG1 H 1.047 0.01 1 1182 140 140 VAL HG2 H 0.924 0.01 1 1183 140 140 VAL C C 179.36 0.01 1 1184 140 140 VAL CA C 67.72 0.01 1 1185 140 140 VAL CG1 C 24.02 0.01 1 1186 140 140 VAL CG2 C 21.62 0.01 1 1187 140 140 VAL N N 119.17 0.01 1 1188 141 141 LYS H H 8.092 0.01 1 1189 141 141 LYS HA H 4.091 0.01 1 1190 141 141 LYS HB2 H 2.05 0.01 1 1191 141 141 LYS HB3 H 1.882 0.01 1 1192 141 141 LYS C C 179.66 0.01 1 1193 141 141 LYS CA C 59.91 0.01 1 1194 141 141 LYS N N 126.60 0.01 1 1195 142 142 ASN H H 8.678 0.01 1 1196 142 142 ASN HA H 4.429 0.01 1 1197 142 142 ASN HB2 H 2.857 0.01 1 1198 142 142 ASN HB3 H 2.857 0.01 1 1199 142 142 ASN C C 176.85 0.01 1 1200 142 142 ASN CA C 55.81 0.01 1 1201 142 142 ASN CB C 37.81 0.01 1 1202 142 142 ASN N N 119.23 0.01 1 1203 143 143 LYS H H 7.755 0.01 1 1204 143 143 LYS HA H 4.410 0.01 1 1205 143 143 LYS HB2 H 2.045 0.01 1 1206 143 143 LYS HB3 H 1.900 0.01 1 1207 143 143 LYS C C 177.53 0.01 1 1208 143 143 LYS CA C 57.39 0.01 1 1209 143 143 LYS CB C 33.36 0.01 1 1210 143 143 LYS N N 116.57 0.01 1 1211 144 144 THR H H 8.187 0.01 1 1212 144 144 THR HA H 3.844 0.01 1 1213 144 144 THR HB H 4.387 0.01 1 1214 144 144 THR HG2 H 1.206 0.01 1 1215 144 144 THR C C 175.91 0.01 1 1216 144 144 THR CA C 62.43 0.01 1 1217 144 144 THR CB C 73.24 0.01 1 1218 144 144 THR CG2 C 20.48 0.01 1 1219 144 144 THR N N 104.50 0.01 1 1220 145 145 GLY H H 8.417 0.01 1 1221 145 145 GLY HA2 H 4.371 0.01 2 1222 145 145 GLY HA3 H 3.850 0.01 2 1223 145 145 GLY C C 173.89 0.01 1 1224 145 145 GLY CA C 45.76 0.01 1 1225 145 145 GLY N N 111.89 0.01 1 1226 146 146 VAL H H 7.860 0.01 1 1227 146 146 VAL HA H 3.937 0.01 1 1228 146 146 VAL HB H 1.893 0.01 1 1229 146 146 VAL HG1 H 0.878 0.01 1 1230 146 146 VAL HG2 H 0.768 0.01 1 1231 146 146 VAL C C 175.29 0.01 1 1232 146 146 VAL CA C 62.96 0.01 1 1233 146 146 VAL CG1 C 21.65 0.01 1 1234 146 146 VAL CG2 C 21.33 0.01 1 1235 146 146 VAL N N 122.97 0.01 1 1236 147 147 SER H H 8.803 0.01 1 1237 147 147 SER HA H 4.538 0.01 1 1238 147 147 SER HB2 H 3.872 0.01 1 1239 147 147 SER HB3 H 3.694 0.01 1 1240 147 147 SER C C 173.47 0.01 1 1241 147 147 SER CA C 56.50 0.01 1 1242 147 147 SER N N 124.43 0.01 1 1243 148 148 LEU H H 8.663 0.01 1 1244 148 148 LEU HA H 4.533 0.01 1 1245 148 148 LEU HB2 H 1.719 0.01 1 1246 148 148 LEU HB3 H 1.456 0.01 1 1247 148 148 LEU HD1 H 0.805 0.01 1 1248 148 148 LEU HD2 H 0.805 0.01 1 1249 148 148 LEU CA C 52.29 0.01 1 1250 148 148 LEU CD1 C 23.38 0.01 1 1251 148 148 LEU CD2 C 23.38 0.01 1 1252 148 148 LEU N N 126.49 0.01 1 1253 149 149 PRO HA H 4.678 0.01 1 1254 149 149 PRO HB2 H 3.014 0.01 1 1255 149 149 PRO HB3 H 3.014 0.01 1 1256 149 149 PRO CA C 62.32 0.01 1 1257 150 150 GLU H H 8.950 0.01 1 1258 150 150 GLU HA H 3.866 0.01 1 1259 150 150 GLU HB2 H 1.721 0.01 1 1260 150 150 GLU HB3 H 1.721 0.01 1 1261 150 150 GLU C C 177.31 0.01 1 1262 150 150 GLU CA C 59.76 0.01 1 1263 150 150 GLU N N 120.82 0.01 1 1264 151 151 ASP H H 8.929 0.01 1 1265 151 151 ASP HA H 4.137 0.01 1 1266 151 151 ASP HB2 H 2.451 0.01 1 1267 151 151 ASP HB3 H 2.451 0.01 1 1268 151 151 ASP C C 179.15 0.01 1 1269 151 151 ASP CA C 57.88 0.01 1 1270 151 151 ASP N N 115.00 0.01 1 1271 152 152 GLU H H 8.188 0.01 1 1272 152 152 GLU HA H 4.998 0.01 1 1273 152 152 GLU HB2 H 2.471 0.01 1 1274 152 152 GLU HB3 H 2.144 0.01 1 1275 152 152 GLU C C 179.73 0.01 1 1276 152 152 GLU CA C 58.20 0.01 1 1277 152 152 GLU N N 114.14 0.01 1 1278 153 153 ALA H H 7.874 0.01 1 1279 153 153 ALA HA H 3.757 0.01 1 1280 153 153 ALA HB H 1.113 0.01 1 1281 153 153 ALA C C 180.17 0.01 1 1282 153 153 ALA CA C 55.42 0.01 1 1283 153 153 ALA CB C 16.91 0.01 1 1284 153 153 ALA N N 122.30 0.01 1 1285 154 154 GLY H H 7.276 0.01 1 1286 154 154 GLY HA2 H 3.884 0.01 2 1287 154 154 GLY HA3 H 3.463 0.01 2 1288 154 154 GLY C C 175.20 0.01 1 1289 154 154 GLY CA C 47.03 0.01 1 1290 154 154 GLY N N 100.62 0.01 1 1291 155 155 PHE H H 6.986 0.01 1 1292 155 155 PHE HA H 4.320 0.01 1 1293 155 155 PHE HB2 H 2.954 0.01 1 1294 155 155 PHE HB3 H 2.751 0.01 1 1295 155 155 PHE HD1 H 7.355 0.01 1 1296 155 155 PHE HD2 H 7.355 0.01 1 1297 155 155 PHE HE1 H 7.148 0.01 1 1298 155 155 PHE HE2 H 7.148 0.01 1 1299 155 155 PHE HZ H 7.102 0.01 1 1300 155 155 PHE C C 178.33 0.01 1 1301 155 155 PHE CA C 61.07 0.01 1 1302 155 155 PHE CB C 39.03 0.01 1 1303 155 155 PHE N N 120.34 0.01 1 1304 156 156 ILE H H 8.479 0.01 1 1305 156 156 ILE HA H 3.350 0.01 1 1306 156 156 ILE HB H 1.780 0.01 1 1307 156 156 ILE HG2 H 0.762 0.01 1 1308 156 156 ILE HD1 H 0.735 0.01 1 1309 156 156 ILE C C 177.06 0.01 1 1310 156 156 ILE CA C 66.59 0.01 1 1311 156 156 ILE CG2 C 16.31 0.01 1 1312 156 156 ILE CD1 C 12.99 0.01 1 1313 156 156 ILE N N 119.52 0.01 1 1314 157 157 ALA H H 7.925 0.01 1 1315 157 157 ALA HA H 3.758 0.01 1 1316 157 157 ALA HB H 1.413 0.01 1 1317 157 157 ALA C C 178.69 0.01 1 1318 157 157 ALA CA C 55.54 0.01 1 1319 157 157 ALA CB C 17.12 0.01 1 1320 157 157 ALA N N 119.60 0.01 1 1321 158 158 LEU H H 7.060 0.01 1 1322 158 158 LEU HA H 3.798 0.01 1 1323 158 158 LEU HB2 H 1.765 0.01 1 1324 158 158 LEU HB3 H 1.765 0.01 1 1325 158 158 LEU HD1 H 0.797 0.01 1 1326 158 158 LEU HD2 H 0.683 0.01 1 1327 158 158 LEU C C 179.45 0.01 1 1328 158 158 LEU CA C 56.98 0.01 1 1329 158 158 LEU CD1 C 25.64 0.01 1 1330 158 158 LEU CD2 C 22.78 0.01 1 1331 158 158 LEU N N 115.25 0.01 1 1332 159 159 HIS H H 7.549 0.01 1 1333 159 159 HIS HA H 4.648 0.01 1 1334 159 159 HIS HB2 H 3.105 0.01 1 1335 159 159 HIS HB3 H 2.843 0.01 1 1336 159 159 HIS HD2 H 6.096 0.01 1 1337 159 159 HIS HE1 H 7.773 0.01 1 1338 159 159 HIS C C 178.88 0.01 1 1339 159 159 HIS CA C 59.62 0.01 1 1340 159 159 HIS N N 119.70 0.01 1 1341 160 160 ILE H H 7.569 0.01 1 1342 160 160 ILE HA H 3.527 0.01 1 1343 160 160 ILE HB H 2.165 0.01 1 1344 160 160 ILE HG2 H 0.859 0.01 1 1345 160 160 ILE HD1 H 0.663 0.01 1 1346 160 160 ILE C C 177.66 0.01 1 1347 160 160 ILE CA C 65.36 0.01 1 1348 160 160 ILE CG2 C 18.12 0.01 1 1349 160 160 ILE CD1 C 12.55 0.01 1 1350 160 160 ILE N N 119.42 0.01 1 1351 161 161 VAL H H 8.178 0.01 1 1352 161 161 VAL HA H 3.441 0.01 1 1353 161 161 VAL HB H 1.854 0.01 1 1354 161 161 VAL HG1 H 0.695 0.01 1 1355 161 161 VAL HG2 H 0.266 0.01 1 1356 161 161 VAL C C 178.83 0.01 1 1357 161 161 VAL CA C 66.58 0.01 1 1358 161 161 VAL CG1 C 20.64 0.01 1 1359 161 161 VAL CG2 C 22.10 0.01 1 1360 161 161 VAL N N 119.66 0.01 1 1361 162 162 ASN H H 7.668 0.01 1 1362 162 162 ASN HA H 4.120 0.01 1 1363 162 162 ASN HB2 H 2.614 0.01 1 1364 162 162 ASN HB3 H 2.483 0.01 1 1365 162 162 ASN C C 174.93 0.01 1 1366 162 162 ASN CA C 55.93 0.01 1 1367 162 162 ASN N N 113.63 0.01 1 1368 163 163 ALA H H 7.470 0.01 1 1369 163 163 ALA HA H 4.285 0.01 1 1370 163 163 ALA HB H 1.448 0.01 1 1371 163 163 ALA C C 176.83 0.01 1 1372 163 163 ALA CA C 51.41 0.01 1 1373 163 163 ALA N N 118.53 0.01 1 1374 164 164 GLU H H 7.375 0.01 1 1375 164 164 GLU HA H 4.307 0.01 1 1376 164 164 GLU HB2 H 1.949 0.01 1 1377 164 164 GLU HB3 H 1.949 0.01 1 1378 164 164 GLU C C 176.68 0.01 1 1379 164 164 GLU CA C 57.67 0.01 1 1380 164 164 GLU N N 119.78 0.01 1 1381 165 165 LEU H H 8.385 0.01 1 1382 165 165 LEU HA H 4.610 0.01 1 1383 165 165 LEU HB2 H 1.672 0.01 1 1384 165 165 LEU HB3 H 1.610 0.01 1 1385 165 165 LEU HD1 H 0.926 0.01 1 1386 165 165 LEU HD2 H 0.848 0.01 1 1387 165 165 LEU C C 176.23 0.01 1 1388 165 165 LEU CA C 54.22 0.01 1 1389 165 165 LEU CD1 C 24.04 0.01 1 1390 165 165 LEU CD2 C 25.56 0.01 1 1391 165 165 LEU N N 124.69 0.01 1 1392 166 166 ASN H H 8.438 0.01 1 1393 166 166 ASN HA H 4.780 0.01 1 1394 166 166 ASN HB2 H 2.859 0.01 1 1395 166 166 ASN HB3 H 2.744 0.01 1 1396 166 166 ASN C C 174.84 0.01 1 1397 166 166 ASN N N 120.84 0.01 1 1398 167 167 GLU H H 8.453 0.01 1 1399 167 167 GLU HA H 4.350 0.01 1 1400 167 167 GLU HB2 H 2.059 0.01 1 1401 167 167 GLU HB3 H 1.913 0.01 1 1402 167 167 GLU C C 176.28 0.01 1 1403 167 167 GLU CA C 56.60 0.01 1 1404 167 167 GLU N N 121.01 0.01 1 1405 168 168 LEU H H 8.290 0.01 1 1406 168 168 LEU HA H 4.340 0.01 1 1407 168 168 LEU HB2 H 1.584 0.01 1 1408 168 168 LEU HB3 H 1.584 0.01 1 1409 168 168 LEU HD1 H 0.924 0.01 1 1410 168 168 LEU HD2 H 0.864 0.01 1 1411 168 168 LEU C C 177.27 0.01 1 1412 168 168 LEU CA C 55.44 0.01 1 1413 168 168 LEU CD1 C 25.15 0.01 1 1414 168 168 LEU CD2 C 23.71 0.01 1 1415 168 168 LEU N N 122.95 0.01 1 1416 169 169 GLN H H 8.296 0.01 1 1417 169 169 GLN HB2 H 1.893 0.01 1 1418 169 169 GLN HB3 H 1.893 0.01 1 1419 169 169 GLN N N 120.58 0.01 1 stop_ save_