data_19001 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; OspE ; _BMRB_accession_number 19001 _BMRB_flat_file_name bmr19001.str _Entry_type original _Submission_date 2013-02-05 _Accession_date 2013-02-05 _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 Bhattacharjee Arnab . . 2 Oeemig Jesper S. . 3 Kolodziejczyk Robert . . 4 Meri Taru . . 5 Kajander Tommi . . 6 Iwai Hideo . . 7 Jokiranta 'T. Sakari' . . 8 Goldman Adrian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 868 "13C chemical shifts" 653 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-30 update BMRB 'update entry citation' 2013-05-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for complement evasion by Lyme disease pathogen Borrelia burgdorferi.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23658013 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharjee Arnab . . 2 Oeemig Jesper S. . 3 Kolodziejczyk Robert . . 4 Meri Taru . . 5 Kajander Tommi . . 6 Lehtinen Markus J. . 7 Iwai Hideo . . 8 Jokiranta 'T. Sakari' . . 9 Goldman Adrian . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 288 _Journal_issue 26 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18685 _Page_last 18695 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name OspE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label OspE $OspE 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_OspE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common OspE _Molecular_mass 16942.129 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; KIHTSYDEQSSGESKVKKIE FSKFTVKIKNKDKSGNWTDL GDLVVRKEENGIDTGLNAGG HSATFFSLEEEVVNNFVKVM TEGGSFKTSLYYGYKEEQSV INGIQNKEIITKIEKIDGTE YITFSGDKIKNSGDKVAEYA ISLEELKKNLK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 21 LYS 2 22 ILE 3 23 HIS 4 24 THR 5 25 SER 6 26 TYR 7 27 ASP 8 28 GLU 9 29 GLN 10 30 SER 11 31 SER 12 32 GLY 13 33 GLU 14 34 SER 15 35 LYS 16 36 VAL 17 37 LYS 18 38 LYS 19 39 ILE 20 40 GLU 21 41 PHE 22 42 SER 23 43 LYS 24 44 PHE 25 45 THR 26 46 VAL 27 47 LYS 28 48 ILE 29 49 LYS 30 50 ASN 31 51 LYS 32 52 ASP 33 53 LYS 34 54 SER 35 55 GLY 36 56 ASN 37 57 TRP 38 58 THR 39 59 ASP 40 60 LEU 41 61 GLY 42 62 ASP 43 63 LEU 44 64 VAL 45 65 VAL 46 66 ARG 47 67 LYS 48 68 GLU 49 69 GLU 50 70 ASN 51 71 GLY 52 72 ILE 53 73 ASP 54 74 THR 55 75 GLY 56 76 LEU 57 77 ASN 58 78 ALA 59 79 GLY 60 80 GLY 61 81 HIS 62 82 SER 63 83 ALA 64 84 THR 65 85 PHE 66 86 PHE 67 87 SER 68 88 LEU 69 89 GLU 70 90 GLU 71 91 GLU 72 92 VAL 73 93 VAL 74 94 ASN 75 95 ASN 76 96 PHE 77 97 VAL 78 98 LYS 79 99 VAL 80 100 MET 81 101 THR 82 102 GLU 83 103 GLY 84 104 GLY 85 105 SER 86 106 PHE 87 107 LYS 88 108 THR 89 109 SER 90 110 LEU 91 111 TYR 92 112 TYR 93 113 GLY 94 114 TYR 95 115 LYS 96 116 GLU 97 117 GLU 98 118 GLN 99 119 SER 100 120 VAL 101 121 ILE 102 122 ASN 103 123 GLY 104 124 ILE 105 125 GLN 106 126 ASN 107 127 LYS 108 128 GLU 109 129 ILE 110 130 ILE 111 131 THR 112 132 LYS 113 133 ILE 114 134 GLU 115 135 LYS 116 136 ILE 117 137 ASP 118 138 GLY 119 139 THR 120 140 GLU 121 141 TYR 122 142 ILE 123 143 THR 124 144 PHE 125 145 SER 126 146 GLY 127 147 ASP 128 148 LYS 129 149 ILE 130 150 LYS 131 151 ASN 132 152 SER 133 153 GLY 134 154 ASP 135 155 LYS 136 156 VAL 137 157 ALA 138 158 GLU 139 159 TYR 140 160 ALA 141 161 ILE 142 162 SER 143 163 LEU 144 164 GLU 145 165 GLU 146 166 LEU 147 167 LYS 148 168 LYS 149 169 ASN 150 170 LEU 151 171 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M4F "Solution Structure Of Outer Surface Protein E" 100.00 151 100.00 100.00 2.91e-99 PDB 4J38 "Structure Of Borrelia Burgdorferi Outer Surface Protein E In Complex With Factor H Domains 19-20" 100.00 151 100.00 100.00 2.91e-99 GB AAA22959 "outer surface protein E [Borrelia burgdorferi N40]" 100.00 171 100.00 100.00 3.09e-99 GB ADQ29858 "outer surface protein E [Borrelia burgdorferi N40]" 100.00 171 100.00 100.00 3.09e-99 REF WP_014540873 "regulator [Borrelia burgdorferi]" 100.00 171 100.00 100.00 3.09e-99 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $OspE 'Lyme disease spirochete' 139 Bacteria . Borrelia burgdorferi N40 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 $OspE 'recombinant technology' . Escherichia coli ER2566 pCARSF40 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 $OspE 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CING _Saveframe_category software _Name CING _Version . loop_ _Vendor _Address _Electronic_address Vuister . . stop_ loop_ _Task 'Structure validation' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPNMR_analysis _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_(HB)CB(CDCE)HE_18 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CDCE)HE _Sample_label $sample_1 save_ save_(HB)CB(CD)HD_19 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CD)HD _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbon' ppm 0 na direct . . . 1.0 water H 1 protons ppm 4.75 internal direct . . . 1 'liquid anhydrous ammonia' N 15 nitrogen ppm 117.8 na direct . . . 1.0 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 HCCH-COSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name OspE _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 21 1 LYS HA H 4.356 0.020 9 2 21 1 LYS C C 176.190 0.200 9 3 21 1 LYS CA C 56.425 0.209 9 4 21 1 LYS CB C 33.179 0.016 9 5 21 1 LYS CG C 24.549 0.300 9 6 21 1 LYS CD C 29.102 0.300 9 7 21 1 LYS CE C 42.061 0.300 9 8 22 2 ILE H H 8.103 0.035 9 9 22 2 ILE HA H 4.102 0.013 9 10 22 2 ILE HB H 1.757 0.012 9 11 22 2 ILE HD1 H 0.822 0.000 9 12 22 2 ILE C C 175.789 0.246 9 13 22 2 ILE CA C 61.047 0.022 9 14 22 2 ILE CB C 38.686 0.028 9 15 22 2 ILE CG1 C 27.166 0.000 9 16 22 2 ILE CG2 C 17.360 0.000 9 17 22 2 ILE CD1 C 12.765 0.005 9 18 22 2 ILE N N 121.658 0.169 9 19 23 3 HIS H H 8.341 0.027 9 20 23 3 HIS HA H 3.938 0.001 9 21 23 3 HIS HB2 H 3.099 0.021 9 22 23 3 HIS HB3 H 3.186 0.022 9 23 23 3 HIS HD2 H 7.019 0.020 9 24 23 3 HIS C C 174.955 0.200 9 25 23 3 HIS CA C 57.516 0.011 9 26 23 3 HIS CB C 30.708 0.019 9 27 23 3 HIS N N 122.480 0.377 9 28 24 4 THR H H 8.413 0.044 9 29 24 4 THR HA H 4.341 0.020 9 30 24 4 THR HB H 4.083 0.020 9 31 24 4 THR HG2 H 1.226 0.020 9 32 24 4 THR C C 174.238 0.219 9 33 24 4 THR CA C 61.563 0.039 9 34 24 4 THR CB C 70.142 0.021 9 35 24 4 THR CG2 C 21.305 0.024 9 36 24 4 THR N N 117.908 0.324 9 37 25 5 SER H H 8.363 0.001 9 38 25 5 SER HA H 4.414 0.023 9 39 25 5 SER HB2 H 3.811 0.022 9 40 25 5 SER HB3 H 3.811 0.022 9 41 25 5 SER C C 174.211 0.211 9 42 25 5 SER CA C 58.373 0.043 9 43 25 5 SER CB C 63.763 0.043 9 44 25 5 SER N N 117.761 0.209 9 45 26 6 TYR H H 8.183 0.021 9 46 26 6 TYR HA H 4.515 0.008 9 47 26 6 TYR HB2 H 3.040 0.006 9 48 26 6 TYR HB3 H 2.883 0.008 9 49 26 6 TYR HD1 H 7.083 0.000 9 50 26 6 TYR HD2 H 7.083 0.000 9 51 26 6 TYR HE1 H 6.784 0.000 9 52 26 6 TYR HE2 H 6.784 0.000 9 53 26 6 TYR C C 175.548 0.018 9 54 26 6 TYR CA C 58.225 0.051 9 55 26 6 TYR CB C 38.624 0.044 9 56 26 6 TYR N N 122.174 0.251 9 57 27 7 ASP H H 8.141 0.022 9 58 27 7 ASP HA H 4.524 0.007 9 59 27 7 ASP HB2 H 2.626 0.020 9 60 27 7 ASP HB3 H 2.557 0.020 9 61 27 7 ASP C C 176.236 0.222 9 62 27 7 ASP CA C 54.333 0.032 9 63 27 7 ASP CB C 41.282 0.036 9 64 27 7 ASP N N 121.396 0.094 9 65 28 8 GLU H H 8.246 0.011 9 66 28 8 GLU HA H 4.167 0.023 9 67 28 8 GLU C C 176.890 0.210 9 68 28 8 GLU CA C 57.175 0.018 9 69 28 8 GLU CB C 30.065 0.026 9 70 28 8 GLU CG C 36.307 0.200 9 71 28 8 GLU N N 121.436 0.052 9 72 29 9 GLN H H 8.338 0.004 9 73 29 9 GLN HA H 4.314 0.020 9 74 29 9 GLN HB2 H 2.119 0.007 9 75 29 9 GLN HB3 H 1.995 0.004 9 76 29 9 GLN HG2 H 2.344 0.003 9 77 29 9 GLN HG3 H 2.344 0.003 9 78 29 9 GLN C C 176.375 0.200 9 79 29 9 GLN CA C 56.269 0.206 9 80 29 9 GLN CB C 29.196 0.036 9 81 29 9 GLN CG C 33.903 0.015 9 82 29 9 GLN N N 120.268 0.020 9 83 30 10 SER H H 8.237 0.003 9 84 30 10 SER HA H 4.423 0.004 9 85 30 10 SER HB2 H 3.815 0.020 9 86 30 10 SER HB3 H 3.815 0.020 9 87 30 10 SER C C 174.837 0.200 9 88 30 10 SER CA C 58.527 0.030 9 89 30 10 SER CB C 63.711 0.007 9 90 30 10 SER N N 116.345 0.015 9 91 31 11 SER H H 8.316 0.201 9 92 31 11 SER HA H 4.428 0.021 9 93 31 11 SER HB2 H 3.887 0.020 9 94 31 11 SER HB3 H 3.887 0.020 9 95 31 11 SER C C 175.167 0.200 9 96 31 11 SER CA C 58.667 0.050 9 97 31 11 SER CB C 63.791 0.012 9 98 31 11 SER N N 117.653 0.007 9 99 32 12 GLY H H 8.376 0.004 9 100 32 12 GLY HA2 H 3.947 0.020 9 101 32 12 GLY HA3 H 3.946 0.021 9 102 32 12 GLY C C 174.269 0.200 9 103 32 12 GLY CA C 45.428 0.033 9 104 32 12 GLY N N 110.668 0.200 9 105 33 13 GLU H H 8.237 0.004 9 106 33 13 GLU HA H 4.266 0.021 9 107 33 13 GLU HB2 H 1.893 0.020 9 108 33 13 GLU HB3 H 2.028 0.021 9 109 33 13 GLU HG2 H 2.213 0.025 9 110 33 13 GLU HG3 H 2.213 0.025 9 111 33 13 GLU C C 176.648 0.220 9 112 33 13 GLU CA C 56.632 0.046 9 113 33 13 GLU CB C 30.338 0.017 9 114 33 13 GLU CG C 36.219 0.045 9 115 33 13 GLU N N 120.671 0.200 9 116 34 14 SER H H 8.366 0.006 9 117 34 14 SER HA H 4.381 0.006 9 118 34 14 SER HB2 H 3.822 0.020 9 119 34 14 SER HB3 H 3.822 0.020 9 120 34 14 SER C C 174.615 0.209 9 121 34 14 SER CA C 58.433 0.038 9 122 34 14 SER CB C 63.598 0.027 9 123 34 14 SER N N 116.984 0.040 9 124 35 15 LYS H H 8.329 0.004 9 125 35 15 LYS HA H 4.321 0.020 9 126 35 15 LYS HB2 H 1.755 0.021 9 127 35 15 LYS HB3 H 1.755 0.021 9 128 35 15 LYS HG2 H 1.386 0.020 9 129 35 15 LYS HG3 H 1.386 0.020 9 130 35 15 LYS HE2 H 2.946 0.020 9 131 35 15 LYS HE3 H 2.946 0.020 9 132 35 15 LYS C C 176.366 0.200 9 133 35 15 LYS CA C 56.170 0.045 9 134 35 15 LYS CB C 32.986 0.008 9 135 35 15 LYS CG C 24.602 0.200 9 136 35 15 LYS CD C 28.974 0.000 9 137 35 15 LYS CE C 42.117 0.200 9 138 35 15 LYS N N 123.586 0.020 9 139 36 16 VAL H H 8.030 0.003 9 140 36 16 VAL HA H 4.015 0.004 9 141 36 16 VAL HB H 1.969 0.021 9 142 36 16 VAL HG1 H 0.882 0.000 9 143 36 16 VAL HG2 H 0.882 0.000 9 144 36 16 VAL C C 175.747 0.209 9 145 36 16 VAL CA C 62.238 0.007 9 146 36 16 VAL CB C 32.774 0.037 9 147 36 16 VAL CG1 C 20.842 0.020 9 148 36 16 VAL CG2 C 20.842 0.020 9 149 36 16 VAL N N 121.344 0.029 9 150 37 17 LYS H H 8.378 0.021 9 151 37 17 LYS HA H 4.281 0.006 9 152 37 17 LYS HB2 H 1.715 0.005 9 153 37 17 LYS HB3 H 1.715 0.005 9 154 37 17 LYS HG2 H 1.382 0.005 9 155 37 17 LYS HG3 H 1.382 0.005 9 156 37 17 LYS HE2 H 2.954 0.020 9 157 37 17 LYS HE3 H 2.954 0.020 9 158 37 17 LYS C C 175.867 0.024 9 159 37 17 LYS CA C 56.033 0.003 9 160 37 17 LYS CB C 33.117 0.035 9 161 37 17 LYS CG C 24.561 0.093 9 162 37 17 LYS CD C 29.048 0.020 9 163 37 17 LYS CE C 42.086 0.200 9 164 37 17 LYS N N 126.769 0.014 9 165 38 18 LYS H H 8.401 0.002 9 166 38 18 LYS HA H 4.317 0.020 9 167 38 18 LYS C C 176.011 0.025 9 168 38 18 LYS CA C 56.002 0.019 9 169 38 18 LYS CB C 33.440 0.047 9 170 38 18 LYS CG C 24.485 0.200 9 171 38 18 LYS CD C 29.112 0.200 9 172 38 18 LYS CE C 42.065 0.200 9 173 38 18 LYS N N 124.778 0.016 9 174 39 19 ILE H H 8.314 0.004 9 175 39 19 ILE HA H 4.209 0.005 9 176 39 19 ILE HB H 1.816 0.002 9 177 39 19 ILE HG12 H 1.367 0.000 9 178 39 19 ILE HG13 H 1.286 0.001 9 179 39 19 ILE HG2 H 0.774 0.003 9 180 39 19 ILE HD1 H 0.731 0.001 9 181 39 19 ILE C C 176.063 0.003 9 182 39 19 ILE CA C 60.170 0.012 9 183 39 19 ILE CB C 37.911 0.049 9 184 39 19 ILE CG1 C 27.253 0.020 9 185 39 19 ILE CG2 C 18.268 0.048 9 186 39 19 ILE CD1 C 12.300 0.027 9 187 39 19 ILE N N 123.440 0.033 9 188 40 20 GLU H H 9.424 0.005 9 189 40 20 GLU HA H 4.370 0.004 9 190 40 20 GLU HB2 H 1.883 0.020 9 191 40 20 GLU HB3 H 2.049 0.020 9 192 40 20 GLU HG2 H 2.232 0.001 9 193 40 20 GLU HG3 H 2.106 0.005 9 194 40 20 GLU C C 176.397 0.023 9 195 40 20 GLU CA C 56.399 0.043 9 196 40 20 GLU CB C 31.460 0.055 9 197 40 20 GLU CG C 36.424 0.032 9 198 40 20 GLU N N 126.731 0.014 9 199 41 21 PHE H H 8.032 0.020 9 200 41 21 PHE HA H 4.724 0.002 9 201 41 21 PHE HB2 H 3.301 0.001 9 202 41 21 PHE HB3 H 3.471 0.002 9 203 41 21 PHE HD1 H 7.256 0.001 9 204 41 21 PHE HD2 H 7.256 0.001 9 205 41 21 PHE HE1 H 6.984 0.000 9 206 41 21 PHE HE2 H 6.984 0.000 9 207 41 21 PHE C C 173.027 0.012 9 208 41 21 PHE CA C 57.370 0.017 9 209 41 21 PHE CB C 39.458 0.031 9 210 41 21 PHE CD1 C 132.025 0.200 9 211 41 21 PHE CD2 C 132.025 0.200 9 212 41 21 PHE CE1 C 130.036 0.000 9 213 41 21 PHE CE2 C 130.036 0.200 9 214 41 21 PHE N N 119.386 0.013 9 215 42 22 SER H H 8.968 0.001 9 216 42 22 SER HA H 4.608 0.006 9 217 42 22 SER HB2 H 3.890 0.020 9 218 42 22 SER HB3 H 3.890 0.020 9 219 42 22 SER C C 174.066 0.020 9 220 42 22 SER CA C 58.585 0.013 9 221 42 22 SER CB C 64.154 0.200 9 222 42 22 SER N N 114.993 0.013 9 223 43 23 LYS H H 8.154 0.001 9 224 43 23 LYS HA H 5.561 0.002 9 225 43 23 LYS HB2 H 1.804 0.004 9 226 43 23 LYS HB3 H 1.804 0.004 9 227 43 23 LYS HG2 H 1.248 0.004 9 228 43 23 LYS HG3 H 1.248 0.004 9 229 43 23 LYS HD2 H 1.529 0.010 9 230 43 23 LYS HD3 H 1.529 0.010 9 231 43 23 LYS HE2 H 2.824 0.002 9 232 43 23 LYS HE3 H 2.824 0.002 9 233 43 23 LYS C C 174.981 0.013 9 234 43 23 LYS CA C 55.952 0.036 9 235 43 23 LYS CB C 34.829 0.011 9 236 43 23 LYS CG C 23.901 0.060 9 237 43 23 LYS CD C 29.431 0.033 9 238 43 23 LYS CE C 41.823 0.000 9 239 43 23 LYS N N 121.540 0.007 9 240 44 24 PHE H H 8.627 0.002 9 241 44 24 PHE HA H 5.003 0.004 9 242 44 24 PHE HB2 H 3.016 0.006 9 243 44 24 PHE HB3 H 3.172 0.009 9 244 44 24 PHE HD1 H 6.825 0.020 9 245 44 24 PHE HD2 H 6.825 0.020 9 246 44 24 PHE HE1 H 6.332 0.003 9 247 44 24 PHE HE2 H 6.332 0.003 9 248 44 24 PHE C C 171.621 0.013 9 249 44 24 PHE CA C 56.626 0.009 9 250 44 24 PHE CB C 41.101 0.047 9 251 44 24 PHE CE1 C 129.228 0.020 9 252 44 24 PHE CE2 C 129.228 0.020 9 253 44 24 PHE N N 120.529 0.018 9 254 45 25 THR H H 8.543 0.001 9 255 45 25 THR HA H 5.436 0.005 9 256 45 25 THR HB H 3.834 0.002 9 257 45 25 THR HG2 H 1.044 0.002 9 258 45 25 THR C C 173.915 0.005 9 259 45 25 THR CA C 60.837 0.024 9 260 45 25 THR CB C 71.049 0.015 9 261 45 25 THR CG2 C 21.858 0.003 9 262 45 25 THR N N 115.105 0.012 9 263 46 26 VAL H H 9.026 0.001 9 264 46 26 VAL HA H 4.863 0.002 9 265 46 26 VAL HB H 2.265 0.020 9 266 46 26 VAL HG1 H 0.996 0.003 9 267 46 26 VAL HG2 H 0.947 0.006 9 268 46 26 VAL C C 174.146 0.027 9 269 46 26 VAL CA C 58.535 0.013 9 270 46 26 VAL CB C 35.375 0.020 9 271 46 26 VAL CG1 C 23.167 0.035 9 272 46 26 VAL CG2 C 19.823 0.047 9 273 46 26 VAL N N 119.111 0.015 9 274 47 27 LYS H H 8.704 0.004 9 275 47 27 LYS HA H 4.841 0.009 9 276 47 27 LYS HB2 H 1.955 0.003 9 277 47 27 LYS HB3 H 1.954 0.004 9 278 47 27 LYS HG2 H 1.604 0.021 9 279 47 27 LYS HG3 H 1.572 0.020 9 280 47 27 LYS HD2 H 1.791 0.010 9 281 47 27 LYS HD3 H 1.658 0.005 9 282 47 27 LYS HE2 H 2.931 0.021 9 283 47 27 LYS HE3 H 2.931 0.021 9 284 47 27 LYS C C 176.640 0.028 9 285 47 27 LYS CA C 56.289 0.041 9 286 47 27 LYS CB C 32.381 0.027 9 287 47 27 LYS CG C 24.805 0.020 9 288 47 27 LYS CD C 28.207 0.032 9 289 47 27 LYS CE C 42.148 0.020 9 290 47 27 LYS N N 122.674 0.023 9 291 48 28 ILE H H 8.766 0.001 9 292 48 28 ILE HA H 5.294 0.003 9 293 48 28 ILE HB H 1.436 0.003 9 294 48 28 ILE HG12 H 1.889 0.001 9 295 48 28 ILE HG13 H 1.249 0.002 9 296 48 28 ILE HG2 H 0.535 0.003 9 297 48 28 ILE HD1 H 0.580 0.003 9 298 48 28 ILE C C 173.674 0.027 9 299 48 28 ILE CA C 59.008 0.010 9 300 48 28 ILE CB C 43.394 0.015 9 301 48 28 ILE CG1 C 29.345 0.041 9 302 48 28 ILE CG2 C 15.223 0.054 9 303 48 28 ILE CD1 C 15.199 0.029 9 304 48 28 ILE N N 120.567 0.009 9 305 49 29 LYS H H 9.294 0.001 9 306 49 29 LYS HA H 5.196 0.003 9 307 49 29 LYS HB2 H 1.923 0.002 9 308 49 29 LYS HB3 H 1.552 0.007 9 309 49 29 LYS HG2 H 1.524 0.009 9 310 49 29 LYS HG3 H 1.393 0.010 9 311 49 29 LYS HD2 H 1.025 0.005 9 312 49 29 LYS HD3 H 1.097 0.004 9 313 49 29 LYS HE2 H 2.872 0.020 9 314 49 29 LYS HE3 H 2.760 0.003 9 315 49 29 LYS C C 175.526 0.009 9 316 49 29 LYS CA C 55.400 0.028 9 317 49 29 LYS CB C 37.556 0.024 9 318 49 29 LYS CG C 25.612 0.069 9 319 49 29 LYS CD C 30.319 0.020 9 320 49 29 LYS CE C 42.290 0.013 9 321 49 29 LYS N N 127.284 0.014 9 322 50 30 ASN H H 9.292 0.002 9 323 50 30 ASN HA H 5.855 0.003 9 324 50 30 ASN HB2 H 2.588 0.020 9 325 50 30 ASN HB3 H 2.889 0.020 9 326 50 30 ASN HD21 H 6.559 0.020 9 327 50 30 ASN HD22 H 7.141 0.020 9 328 50 30 ASN C C 173.939 0.015 9 329 50 30 ASN CA C 51.276 0.020 9 330 50 30 ASN CB C 42.636 0.012 9 331 50 30 ASN N N 117.843 0.015 9 332 50 30 ASN ND2 N 109.100 0.020 9 333 51 31 LYS H H 7.272 0.003 9 334 51 31 LYS HA H 4.360 0.007 9 335 51 31 LYS HB2 H 0.768 0.008 9 336 51 31 LYS HB3 H 1.032 0.003 9 337 51 31 LYS HG2 H -0.264 0.005 9 338 51 31 LYS HG3 H -0.028 0.006 9 339 51 31 LYS HD2 H 0.744 0.003 9 340 51 31 LYS HD3 H 0.744 0.003 9 341 51 31 LYS HE2 H 1.554 0.009 9 342 51 31 LYS HE3 H 1.554 0.009 9 343 51 31 LYS C C 176.971 0.020 9 344 51 31 LYS CA C 55.522 0.064 9 345 51 31 LYS CB C 33.837 0.033 9 346 51 31 LYS CG C 24.883 0.038 9 347 51 31 LYS CD C 28.928 0.016 9 348 51 31 LYS CE C 40.759 0.009 9 349 51 31 LYS N N 120.763 0.039 9 350 52 32 ASP H H 8.619 0.003 9 351 52 32 ASP HA H 4.494 0.005 9 352 52 32 ASP HB2 H 2.686 0.007 9 353 52 32 ASP HB3 H 3.302 0.001 9 354 52 32 ASP C C 178.348 0.016 9 355 52 32 ASP CA C 52.399 0.045 9 356 52 32 ASP CB C 41.332 0.014 9 357 52 32 ASP N N 124.813 0.029 9 358 53 33 LYS H H 8.288 0.003 9 359 53 33 LYS HA H 4.006 0.001 9 360 53 33 LYS HB2 H 1.839 0.009 9 361 53 33 LYS HB3 H 1.839 0.009 9 362 53 33 LYS HG2 H 1.426 0.003 9 363 53 33 LYS HG3 H 1.426 0.003 9 364 53 33 LYS HD2 H 1.674 0.005 9 365 53 33 LYS HD3 H 1.674 0.005 9 366 53 33 LYS HE2 H 2.938 0.020 9 367 53 33 LYS HE3 H 2.938 0.020 9 368 53 33 LYS C C 177.515 0.029 9 369 53 33 LYS CA C 58.901 0.058 9 370 53 33 LYS CB C 31.852 0.035 9 371 53 33 LYS CG C 24.106 0.018 9 372 53 33 LYS CD C 29.160 0.020 9 373 53 33 LYS CE C 41.987 0.020 9 374 53 33 LYS N N 117.379 0.018 9 375 54 34 SER H H 8.060 0.021 9 376 54 34 SER HA H 4.451 0.006 9 377 54 34 SER HB2 H 3.843 0.002 9 378 54 34 SER HB3 H 3.897 0.005 9 379 54 34 SER C C 173.965 0.200 9 380 54 34 SER CA C 58.442 0.044 9 381 54 34 SER CB C 63.953 0.064 9 382 54 34 SER N N 115.138 0.011 9 383 55 35 GLY H H 7.965 0.003 9 384 55 35 GLY HA2 H 3.268 0.006 9 385 55 35 GLY HA3 H 4.058 0.004 9 386 55 35 GLY C C 173.128 0.200 9 387 55 35 GLY CA C 45.019 0.025 9 388 55 35 GLY N N 108.958 0.016 9 389 56 36 ASN H H 8.140 0.001 9 390 56 36 ASN HA H 4.671 0.005 9 391 56 36 ASN HB2 H 2.635 0.010 9 392 56 36 ASN HB3 H 2.521 0.020 9 393 56 36 ASN HD21 H 6.922 0.020 9 394 56 36 ASN HD22 H 8.025 0.020 9 395 56 36 ASN C C 175.110 0.030 9 396 56 36 ASN CA C 51.917 0.010 9 397 56 36 ASN CB C 39.826 0.013 9 398 56 36 ASN N N 119.113 0.014 9 399 56 36 ASN ND2 N 116.421 0.015 9 400 57 37 TRP H H 8.585 0.003 9 401 57 37 TRP HA H 4.710 0.009 9 402 57 37 TRP HB2 H 2.649 0.007 9 403 57 37 TRP HB3 H 2.908 0.002 9 404 57 37 TRP HD1 H 7.145 0.020 9 405 57 37 TRP HE1 H 10.058 0.020 9 406 57 37 TRP HE3 H 7.152 0.020 9 407 57 37 TRP HZ2 H 7.304 0.020 9 408 57 37 TRP HZ3 H 6.367 0.020 9 409 57 37 TRP HH2 H 6.805 0.020 9 410 57 37 TRP C C 176.939 0.200 9 411 57 37 TRP CA C 57.354 0.047 9 412 57 37 TRP CB C 30.127 0.041 9 413 57 37 TRP CD1 C 126.789 0.200 9 414 57 37 TRP CE3 C 121.239 0.200 9 415 57 37 TRP CZ2 C 113.928 0.000 9 416 57 37 TRP CZ3 C 121.311 0.000 9 417 57 37 TRP CH2 C 123.098 0.200 9 418 57 37 TRP N N 123.338 0.014 9 419 57 37 TRP NE1 N 128.668 0.200 9 420 58 38 THR H H 9.531 0.002 9 421 58 38 THR HA H 4.672 0.010 9 422 58 38 THR HB H 4.001 0.004 9 423 58 38 THR HG2 H 1.174 0.001 9 424 58 38 THR C C 172.866 0.000 9 425 58 38 THR CA C 60.382 0.019 9 426 58 38 THR CB C 71.617 0.020 9 427 58 38 THR CG2 C 20.819 0.067 9 428 58 38 THR N N 119.326 0.014 9 429 59 39 ASP H H 8.569 0.003 9 430 59 39 ASP HA H 4.471 0.004 9 431 59 39 ASP HB2 H 2.555 0.001 9 432 59 39 ASP HB3 H 2.649 0.001 9 433 59 39 ASP C C 175.085 0.007 9 434 59 39 ASP CA C 57.143 0.065 9 435 59 39 ASP CB C 40.513 0.075 9 436 59 39 ASP N N 124.683 0.013 9 437 60 40 LEU H H 8.686 0.005 9 438 60 40 LEU HA H 4.624 0.006 9 439 60 40 LEU HB2 H 1.395 0.011 9 440 60 40 LEU HB3 H 1.659 0.005 9 441 60 40 LEU HG H 0.942 0.003 9 442 60 40 LEU HD1 H 0.530 0.001 9 443 60 40 LEU HD2 H 0.438 0.002 9 444 60 40 LEU C C 175.696 0.028 9 445 60 40 LEU CA C 55.849 0.046 9 446 60 40 LEU CB C 43.167 0.060 9 447 60 40 LEU CG C 27.111 0.036 9 448 60 40 LEU CD1 C 26.509 0.041 9 449 60 40 LEU CD2 C 21.791 0.012 9 450 60 40 LEU N N 125.831 0.016 9 451 61 41 GLY H H 7.371 0.002 9 452 61 41 GLY HA2 H 4.031 0.007 9 453 61 41 GLY HA3 H 4.223 0.015 9 454 61 41 GLY C C 171.024 0.020 9 455 61 41 GLY CA C 46.548 0.025 9 456 61 41 GLY N N 103.452 0.021 9 457 62 42 ASP H H 8.531 0.006 9 458 62 42 ASP HA H 5.339 0.003 9 459 62 42 ASP HB2 H 2.470 0.002 9 460 62 42 ASP HB3 H 2.322 0.001 9 461 62 42 ASP C C 173.343 0.000 9 462 62 42 ASP CA C 53.103 0.018 9 463 62 42 ASP CB C 44.155 0.008 9 464 62 42 ASP N N 123.647 0.036 9 465 63 43 LEU H H 9.674 0.005 9 466 63 43 LEU HA H 5.013 0.005 9 467 63 43 LEU HB2 H 0.703 0.012 9 468 63 43 LEU HB3 H 1.878 0.003 9 469 63 43 LEU HG H 1.055 0.006 9 470 63 43 LEU HD1 H 0.338 0.004 9 471 63 43 LEU HD2 H 0.535 0.003 9 472 63 43 LEU C C 174.579 0.000 9 473 63 43 LEU CA C 52.944 0.048 9 474 63 43 LEU CB C 44.403 0.052 9 475 63 43 LEU CG C 27.036 0.015 9 476 63 43 LEU CD1 C 24.347 0.018 9 477 63 43 LEU CD2 C 25.193 0.025 9 478 63 43 LEU N N 125.040 0.027 9 479 64 44 VAL H H 9.380 0.004 9 480 64 44 VAL HA H 4.429 0.004 9 481 64 44 VAL HB H 1.772 0.002 9 482 64 44 VAL HG1 H 0.686 0.009 9 483 64 44 VAL HG2 H 0.780 0.006 9 484 64 44 VAL C C 175.506 0.020 9 485 64 44 VAL CA C 60.930 0.041 9 486 64 44 VAL CB C 32.657 0.017 9 487 64 44 VAL CG1 C 20.715 0.026 9 488 64 44 VAL CG2 C 20.692 0.020 9 489 64 44 VAL N N 128.001 0.013 9 490 65 45 VAL H H 8.912 0.002 9 491 65 45 VAL HA H 3.971 0.002 9 492 65 45 VAL HB H 0.288 0.013 9 493 65 45 VAL HG1 H 0.323 0.003 9 494 65 45 VAL HG2 H 0.488 0.006 9 495 65 45 VAL C C 173.633 0.200 9 496 65 45 VAL CA C 61.631 0.050 9 497 65 45 VAL CB C 31.282 0.009 9 498 65 45 VAL CG1 C 19.773 0.053 9 499 65 45 VAL CG2 C 21.560 0.071 9 500 65 45 VAL N N 130.035 0.016 9 501 66 46 ARG H H 8.679 0.002 9 502 66 46 ARG HA H 5.049 0.007 9 503 66 46 ARG HB2 H 1.661 0.002 9 504 66 46 ARG HB3 H 1.779 0.002 9 505 66 46 ARG HG2 H 1.427 0.020 9 506 66 46 ARG HG3 H 1.457 0.005 9 507 66 46 ARG HD2 H 3.114 0.008 9 508 66 46 ARG HD3 H 3.045 0.001 9 509 66 46 ARG HE H 7.434 0.020 9 510 66 46 ARG C C 174.282 0.020 9 511 66 46 ARG CA C 54.517 0.045 9 512 66 46 ARG CB C 34.148 0.037 9 513 66 46 ARG CG C 27.863 0.030 9 514 66 46 ARG CD C 43.565 0.020 9 515 66 46 ARG N N 124.079 0.014 9 516 66 46 ARG NE N 84.872 0.200 9 517 67 47 LYS H H 8.728 0.001 9 518 67 47 LYS HA H 4.449 0.003 9 519 67 47 LYS HB2 H 0.763 0.006 9 520 67 47 LYS HB3 H 1.873 0.002 9 521 67 47 LYS HG2 H 1.312 0.020 9 522 67 47 LYS HG3 H 1.276 0.006 9 523 67 47 LYS HD2 H 1.721 0.007 9 524 67 47 LYS HD3 H 1.143 0.004 9 525 67 47 LYS HE2 H 2.920 0.020 9 526 67 47 LYS HE3 H 2.920 0.020 9 527 67 47 LYS C C 175.724 0.009 9 528 67 47 LYS CA C 55.211 0.027 9 529 67 47 LYS CB C 31.952 0.027 9 530 67 47 LYS CG C 23.310 0.074 9 531 67 47 LYS CD C 28.593 0.035 9 532 67 47 LYS N N 125.614 0.017 9 533 68 48 GLU H H 8.108 0.005 9 534 68 48 GLU HA H 4.644 0.009 9 535 68 48 GLU HB2 H 2.173 0.004 9 536 68 48 GLU HB3 H 1.389 0.008 9 537 68 48 GLU HG2 H 2.250 0.003 9 538 68 48 GLU HG3 H 2.020 0.001 9 539 68 48 GLU C C 175.458 0.020 9 540 68 48 GLU CA C 54.342 0.053 9 541 68 48 GLU CB C 31.929 0.070 9 542 68 48 GLU CG C 35.482 0.005 9 543 68 48 GLU N N 129.498 0.057 9 544 69 49 GLU H H 8.739 0.001 9 545 69 49 GLU HA H 3.861 0.005 9 546 69 49 GLU HB2 H 1.922 0.020 9 547 69 49 GLU HB3 H 1.972 0.020 9 548 69 49 GLU HG2 H 2.187 0.001 9 549 69 49 GLU HG3 H 2.252 0.001 9 550 69 49 GLU C C 177.059 0.020 9 551 69 49 GLU CA C 59.739 0.064 9 552 69 49 GLU CB C 29.169 0.022 9 553 69 49 GLU CG C 36.251 0.005 9 554 69 49 GLU N N 120.256 0.016 9 555 70 50 ASN H H 7.939 0.001 9 556 70 50 ASN HA H 4.857 0.001 9 557 70 50 ASN HB2 H 2.647 0.002 9 558 70 50 ASN HB3 H 2.898 0.006 9 559 70 50 ASN HD21 H 7.127 0.020 9 560 70 50 ASN HD22 H 7.605 0.020 9 561 70 50 ASN C C 174.568 0.007 9 562 70 50 ASN CA C 51.934 0.006 9 563 70 50 ASN CB C 39.441 0.032 9 564 70 50 ASN N N 113.475 0.005 9 565 70 50 ASN ND2 N 113.524 0.020 9 566 71 51 GLY H H 8.828 0.006 9 567 71 51 GLY HA2 H 4.749 0.008 9 568 71 51 GLY HA3 H 3.148 0.011 9 569 71 51 GLY C C 173.129 0.018 9 570 71 51 GLY CA C 44.846 0.025 9 571 71 51 GLY N N 109.686 0.014 9 572 72 52 ILE H H 8.128 0.003 9 573 72 52 ILE HA H 4.843 0.001 9 574 72 52 ILE HB H 1.040 0.004 9 575 72 52 ILE HG12 H 0.947 0.020 9 576 72 52 ILE HG13 H 1.437 0.007 9 577 72 52 ILE HG2 H 0.486 0.003 9 578 72 52 ILE HD1 H 0.720 0.004 9 579 72 52 ILE C C 173.362 0.015 9 580 72 52 ILE CA C 59.636 0.028 9 581 72 52 ILE CB C 43.589 0.017 9 582 72 52 ILE CG1 C 29.279 0.027 9 583 72 52 ILE CG2 C 17.213 0.022 9 584 72 52 ILE CD1 C 15.587 0.093 9 585 72 52 ILE N N 121.127 0.010 9 586 73 53 ASP H H 8.772 0.006 9 587 73 53 ASP HA H 5.167 0.011 9 588 73 53 ASP HB2 H 2.546 0.003 9 589 73 53 ASP HB3 H 2.493 0.003 9 590 73 53 ASP C C 174.750 0.011 9 591 73 53 ASP CA C 53.162 0.023 9 592 73 53 ASP CB C 44.978 0.039 9 593 73 53 ASP N N 126.315 0.044 9 594 74 54 THR H H 8.347 0.004 9 595 74 54 THR HA H 5.572 0.005 9 596 74 54 THR HB H 3.614 0.003 9 597 74 54 THR HG2 H 0.699 0.003 9 598 74 54 THR C C 173.614 0.009 9 599 74 54 THR CA C 58.733 0.030 9 600 74 54 THR CB C 71.012 0.014 9 601 74 54 THR CG2 C 22.970 0.106 9 602 74 54 THR N N 113.015 0.026 9 603 75 55 GLY H H 9.259 0.003 9 604 75 55 GLY HA2 H 4.667 0.015 9 605 75 55 GLY HA3 H 3.494 0.006 9 606 75 55 GLY C C 170.952 0.020 9 607 75 55 GLY CA C 44.249 0.005 9 608 75 55 GLY N N 112.492 0.017 9 609 76 56 LEU H H 8.686 0.007 9 610 76 56 LEU HA H 4.938 0.009 9 611 76 56 LEU HB2 H 1.860 0.014 9 612 76 56 LEU HB3 H 0.896 0.008 9 613 76 56 LEU HG H 1.163 0.001 9 614 76 56 LEU HD1 H 0.555 0.005 9 615 76 56 LEU HD2 H 0.289 0.004 9 616 76 56 LEU C C 174.874 0.002 9 617 76 56 LEU CA C 53.275 0.035 9 618 76 56 LEU CB C 44.888 0.040 9 619 76 56 LEU CG C 27.646 0.014 9 620 76 56 LEU CD1 C 26.833 0.032 9 621 76 56 LEU CD2 C 23.824 0.015 9 622 76 56 LEU N N 125.155 0.008 9 623 77 57 ASN H H 9.044 0.013 9 624 77 57 ASN HA H 5.566 0.024 9 625 77 57 ASN HB2 H 2.689 0.020 9 626 77 57 ASN HB3 H 2.804 0.020 9 627 77 57 ASN HD21 H 6.675 0.020 9 628 77 57 ASN HD22 H 7.509 0.020 9 629 77 57 ASN C C 174.084 0.018 9 630 77 57 ASN CA C 51.687 0.007 9 631 77 57 ASN CB C 39.168 0.014 9 632 77 57 ASN N N 125.999 0.089 9 633 77 57 ASN ND2 N 112.181 0.200 9 634 78 58 ALA H H 8.848 0.025 9 635 78 58 ALA HA H 4.802 0.009 9 636 78 58 ALA HB H 1.088 0.004 9 637 78 58 ALA C C 177.648 0.015 9 638 78 58 ALA CA C 51.309 0.070 9 639 78 58 ALA CB C 20.880 0.015 9 640 78 58 ALA N N 127.701 0.056 9 641 79 59 GLY H H 9.187 0.003 9 642 79 59 GLY HA2 H 3.999 0.008 9 643 79 59 GLY HA3 H 3.900 0.003 9 644 79 59 GLY C C 175.290 0.005 9 645 79 59 GLY CA C 47.274 0.048 9 646 79 59 GLY N N 114.006 0.020 9 647 80 60 GLY H H 8.809 0.008 9 648 80 60 GLY HA2 H 4.026 0.004 9 649 80 60 GLY HA3 H 3.782 0.016 9 650 80 60 GLY C C 173.590 0.016 9 651 80 60 GLY CA C 45.304 0.018 9 652 80 60 GLY N N 109.673 0.019 9 653 81 61 HIS H H 7.960 0.020 9 654 81 61 HIS HA H 4.713 0.006 9 655 81 61 HIS HB2 H 3.075 0.004 9 656 81 61 HIS HB3 H 3.485 0.006 9 657 81 61 HIS HD2 H 7.045 0.020 9 658 81 61 HIS C C 173.845 0.048 9 659 81 61 HIS CA C 55.512 0.031 9 660 81 61 HIS CB C 33.293 0.050 9 661 81 61 HIS N N 121.025 0.020 9 662 82 62 SER H H 8.219 0.020 9 663 82 62 SER HA H 5.548 0.006 9 664 82 62 SER HB2 H 3.545 0.020 9 665 82 62 SER HB3 H 3.589 0.001 9 666 82 62 SER C C 173.236 0.017 9 667 82 62 SER CA C 56.764 0.047 9 668 82 62 SER CB C 64.349 0.032 9 669 82 62 SER N N 121.145 0.020 9 670 83 63 ALA H H 8.027 0.006 9 671 83 63 ALA HA H 4.502 0.004 9 672 83 63 ALA HB H 1.287 0.011 9 673 83 63 ALA C C 176.119 0.036 9 674 83 63 ALA CA C 51.292 0.034 9 675 83 63 ALA CB C 22.519 0.056 9 676 83 63 ALA N N 126.866 0.025 9 677 84 64 THR H H 8.273 0.008 9 678 84 64 THR HA H 4.202 0.006 9 679 84 64 THR HB H 3.572 0.009 9 680 84 64 THR HG2 H 1.252 0.020 9 681 84 64 THR C C 172.498 0.017 9 682 84 64 THR CA C 64.824 0.023 9 683 84 64 THR CB C 68.822 0.049 9 684 84 64 THR CG2 C 21.533 0.053 9 685 84 64 THR N N 117.798 0.030 9 686 85 65 PHE H H 9.697 0.010 9 687 85 65 PHE HA H 4.807 0.009 9 688 85 65 PHE HB2 H 2.662 0.001 9 689 85 65 PHE HB3 H 3.025 0.002 9 690 85 65 PHE HD1 H 7.019 0.020 9 691 85 65 PHE HD2 H 7.019 0.020 9 692 85 65 PHE HE1 H 7.114 0.001 9 693 85 65 PHE HE2 H 7.114 0.001 9 694 85 65 PHE C C 176.135 0.015 9 695 85 65 PHE CA C 60.023 0.041 9 696 85 65 PHE CB C 40.199 0.060 9 697 85 65 PHE CE1 C 129.311 0.200 9 698 85 65 PHE CE2 C 129.311 0.200 9 699 85 65 PHE N N 131.757 0.037 9 700 86 66 PHE H H 7.519 0.005 9 701 86 66 PHE HA H 5.132 0.005 9 702 86 66 PHE HB2 H 3.573 0.004 9 703 86 66 PHE HB3 H 3.652 0.002 9 704 86 66 PHE HD1 H 6.906 0.020 9 705 86 66 PHE HD2 H 6.906 0.020 9 706 86 66 PHE HE1 H 7.086 0.020 9 707 86 66 PHE HE2 H 7.086 0.020 9 708 86 66 PHE C C 172.878 0.200 9 709 86 66 PHE CA C 57.755 0.028 9 710 86 66 PHE CB C 41.420 0.066 9 711 86 66 PHE CE1 C 129.649 0.200 9 712 86 66 PHE CE2 C 129.649 0.200 9 713 86 66 PHE N N 111.641 0.009 9 714 87 67 SER H H 9.398 0.002 9 715 87 67 SER HA H 5.531 0.006 9 716 87 67 SER HB2 H 3.914 0.003 9 717 87 67 SER HB3 H 4.083 0.003 9 718 87 67 SER C C 172.950 0.067 9 719 87 67 SER CA C 57.232 0.025 9 720 87 67 SER CB C 66.926 0.016 9 721 87 67 SER N N 115.945 0.012 9 722 88 68 LEU H H 9.123 0.002 9 723 88 68 LEU HA H 5.056 0.001 9 724 88 68 LEU HB2 H 1.818 0.020 9 725 88 68 LEU HB3 H 1.781 0.001 9 726 88 68 LEU HG H 1.595 0.005 9 727 88 68 LEU HD1 H 0.446 0.005 9 728 88 68 LEU HD2 H 0.329 0.006 9 729 88 68 LEU C C 175.519 0.020 9 730 88 68 LEU CA C 54.930 0.046 9 731 88 68 LEU CB C 44.255 0.023 9 732 88 68 LEU CG C 25.683 0.039 9 733 88 68 LEU CD1 C 26.551 0.018 9 734 88 68 LEU CD2 C 27.871 0.020 9 735 88 68 LEU N N 118.674 0.013 9 736 89 69 GLU H H 8.915 0.001 9 737 89 69 GLU HA H 4.434 0.004 9 738 89 69 GLU HB2 H 2.384 0.005 9 739 89 69 GLU HB3 H 2.020 0.012 9 740 89 69 GLU HG2 H 2.354 0.003 9 741 89 69 GLU HG3 H 2.354 0.003 9 742 89 69 GLU C C 177.285 0.020 9 743 89 69 GLU CA C 56.055 0.038 9 744 89 69 GLU CB C 31.781 0.029 9 745 89 69 GLU CG C 37.143 0.011 9 746 89 69 GLU N N 121.094 0.014 9 747 90 70 GLU H H 8.447 0.003 9 748 90 70 GLU HA H 3.971 0.001 9 749 90 70 GLU HB2 H 1.875 0.009 9 750 90 70 GLU HB3 H 2.125 0.020 9 751 90 70 GLU HG2 H 2.464 0.002 9 752 90 70 GLU HG3 H 2.463 0.002 9 753 90 70 GLU C C 178.731 0.000 9 754 90 70 GLU CA C 59.171 0.024 9 755 90 70 GLU CB C 29.604 0.030 9 756 90 70 GLU CG C 34.031 0.041 9 757 90 70 GLU N N 121.440 0.017 9 758 91 71 GLU H H 9.053 0.006 9 759 91 71 GLU HA H 4.169 0.008 9 760 91 71 GLU HB2 H 2.055 0.003 9 761 91 71 GLU HB3 H 2.136 0.001 9 762 91 71 GLU HG2 H 2.344 0.003 9 763 91 71 GLU HG3 H 2.304 0.020 9 764 91 71 GLU C C 176.817 0.020 9 765 91 71 GLU CA C 58.878 0.062 9 766 91 71 GLU CB C 29.299 0.020 9 767 91 71 GLU CG C 36.525 0.020 9 768 91 71 GLU N N 115.741 0.017 9 769 92 72 VAL H H 7.785 0.001 9 770 92 72 VAL HA H 4.324 0.006 9 771 92 72 VAL HB H 2.405 0.003 9 772 92 72 VAL HG1 H 1.177 0.003 9 773 92 72 VAL HG2 H 1.465 0.003 9 774 92 72 VAL C C 175.784 0.020 9 775 92 72 VAL CA C 61.604 0.025 9 776 92 72 VAL CB C 33.306 0.040 9 777 92 72 VAL CG1 C 23.391 0.029 9 778 92 72 VAL CG2 C 22.807 0.011 9 779 92 72 VAL N N 117.758 0.013 9 780 93 73 VAL H H 7.630 0.002 9 781 93 73 VAL HA H 3.305 0.009 9 782 93 73 VAL HB H 2.226 0.004 9 783 93 73 VAL HG1 H 0.934 0.020 9 784 93 73 VAL HG2 H 1.003 0.020 9 785 93 73 VAL C C 176.584 0.020 9 786 93 73 VAL CA C 67.814 0.016 9 787 93 73 VAL CB C 31.254 0.027 9 788 93 73 VAL CG1 C 20.973 0.002 9 789 93 73 VAL CG2 C 23.991 0.006 9 790 93 73 VAL N N 121.965 0.018 9 791 94 74 ASN H H 8.662 0.003 9 792 94 74 ASN HA H 4.395 0.007 9 793 94 74 ASN HB2 H 2.827 0.004 9 794 94 74 ASN HB3 H 2.735 0.001 9 795 94 74 ASN HD21 H 6.913 0.020 9 796 94 74 ASN HD22 H 7.618 0.020 9 797 94 74 ASN C C 178.056 0.015 9 798 94 74 ASN CA C 56.808 0.046 9 799 94 74 ASN CB C 37.422 0.027 9 800 94 74 ASN N N 116.840 0.020 9 801 94 74 ASN ND2 N 112.016 0.002 9 802 95 75 ASN H H 8.364 0.001 9 803 95 75 ASN HA H 4.573 0.006 9 804 95 75 ASN HB2 H 2.916 0.002 9 805 95 75 ASN HB3 H 2.965 0.001 9 806 95 75 ASN HD21 H 7.255 0.020 9 807 95 75 ASN HD22 H 7.364 0.020 9 808 95 75 ASN C C 176.018 0.020 9 809 95 75 ASN CA C 56.115 0.079 9 810 95 75 ASN CB C 39.008 0.023 9 811 95 75 ASN N N 119.903 0.006 9 812 95 75 ASN ND2 N 113.303 0.001 9 813 96 76 PHE H H 8.781 0.001 9 814 96 76 PHE HA H 3.436 0.004 9 815 96 76 PHE HB2 H 2.455 0.003 9 816 96 76 PHE HB3 H 3.210 0.020 9 817 96 76 PHE HD1 H 6.070 0.003 9 818 96 76 PHE HD2 H 6.070 0.003 9 819 96 76 PHE HE1 H 6.933 0.001 9 820 96 76 PHE HE2 H 6.933 0.001 9 821 96 76 PHE C C 175.391 0.033 9 822 96 76 PHE CA C 61.168 0.027 9 823 96 76 PHE CB C 39.263 0.037 9 824 96 76 PHE CD1 C 131.817 0.200 9 825 96 76 PHE CD2 C 131.817 0.200 9 826 96 76 PHE CE1 C 129.506 0.000 9 827 96 76 PHE CE2 C 129.506 0.200 9 828 96 76 PHE N N 120.574 0.010 9 829 97 77 VAL H H 8.112 0.003 9 830 97 77 VAL HA H 3.078 0.003 9 831 97 77 VAL HB H 2.135 0.002 9 832 97 77 VAL HG1 H 0.894 0.002 9 833 97 77 VAL HG2 H 1.183 0.004 9 834 97 77 VAL C C 177.328 0.015 9 835 97 77 VAL CA C 66.882 0.005 9 836 97 77 VAL CB C 31.674 0.034 9 837 97 77 VAL CG1 C 21.077 0.032 9 838 97 77 VAL CG2 C 22.420 0.066 9 839 97 77 VAL N N 116.641 0.016 9 840 98 78 LYS H H 7.205 0.003 9 841 98 78 LYS HA H 3.829 0.001 9 842 98 78 LYS HB2 H 1.867 0.020 9 843 98 78 LYS HB3 H 1.944 0.005 9 844 98 78 LYS HG2 H 1.240 0.001 9 845 98 78 LYS HG3 H 1.240 0.001 9 846 98 78 LYS C C 178.458 0.007 9 847 98 78 LYS CA C 59.464 0.028 9 848 98 78 LYS CB C 32.862 0.037 9 849 98 78 LYS CG C 24.700 0.039 9 850 98 78 LYS CD C 29.412 0.020 9 851 98 78 LYS CE C 42.038 0.020 9 852 98 78 LYS N N 118.744 0.016 9 853 99 79 VAL H H 8.801 0.001 9 854 99 79 VAL HA H 3.542 0.006 9 855 99 79 VAL HB H 1.823 0.006 9 856 99 79 VAL HG1 H 0.874 0.004 9 857 99 79 VAL HG2 H 0.938 0.002 9 858 99 79 VAL C C 179.869 0.013 9 859 99 79 VAL CA C 65.258 0.019 9 860 99 79 VAL CB C 30.946 0.027 9 861 99 79 VAL CG1 C 22.741 0.051 9 862 99 79 VAL CG2 C 22.567 0.020 9 863 99 79 VAL N N 117.524 0.016 9 864 100 80 MET H H 7.936 0.003 9 865 100 80 MET HA H 4.363 0.005 9 866 100 80 MET HB2 H 1.408 0.003 9 867 100 80 MET HB3 H 1.632 0.006 9 868 100 80 MET HG2 H 1.604 0.008 9 869 100 80 MET HG3 H 0.977 0.008 9 870 100 80 MET HE H 1.752 0.020 9 871 100 80 MET C C 173.419 0.016 9 872 100 80 MET CA C 54.871 0.035 9 873 100 80 MET CB C 30.403 0.041 9 874 100 80 MET CG C 33.046 0.044 9 875 100 80 MET CE C 15.744 0.200 9 876 100 80 MET N N 118.084 0.017 9 877 101 81 THR H H 6.872 0.001 9 878 101 81 THR HA H 4.481 0.008 9 879 101 81 THR HB H 4.098 0.001 9 880 101 81 THR HG2 H 0.948 0.020 9 881 101 81 THR C C 175.633 0.016 9 882 101 81 THR CA C 61.276 0.045 9 883 101 81 THR CB C 71.116 0.019 9 884 101 81 THR CG2 C 21.716 0.020 9 885 101 81 THR N N 98.633 0.013 9 886 102 82 GLU H H 8.012 0.002 9 887 102 82 GLU HA H 4.511 0.004 9 888 102 82 GLU HB2 H 1.910 0.012 9 889 102 82 GLU HB3 H 2.112 0.007 9 890 102 82 GLU HG2 H 2.167 0.006 9 891 102 82 GLU HG3 H 2.411 0.001 9 892 102 82 GLU C C 177.524 0.018 9 893 102 82 GLU CA C 56.440 0.015 9 894 102 82 GLU CB C 32.670 0.034 9 895 102 82 GLU CG C 36.065 0.033 9 896 102 82 GLU N N 116.446 0.023 9 897 103 83 GLY H H 7.662 0.001 9 898 103 83 GLY HA2 H 4.084 0.006 9 899 103 83 GLY HA3 H 4.301 0.009 9 900 103 83 GLY C C 172.048 0.021 9 901 103 83 GLY CA C 43.366 0.041 9 902 103 83 GLY N N 110.008 0.014 9 903 104 84 GLY H H 7.945 0.002 9 904 104 84 GLY HA2 H 4.595 0.003 9 905 104 84 GLY HA3 H 3.758 0.003 9 906 104 84 GLY C C 171.098 0.020 9 907 104 84 GLY CA C 44.777 0.025 9 908 104 84 GLY N N 108.338 0.013 9 909 105 85 SER H H 8.380 0.001 9 910 105 85 SER HA H 5.830 0.003 9 911 105 85 SER HB2 H 3.665 0.002 9 912 105 85 SER HB3 H 3.665 0.002 9 913 105 85 SER C C 173.498 0.001 9 914 105 85 SER CA C 56.368 0.053 9 915 105 85 SER CB C 66.417 0.028 9 916 105 85 SER N N 115.693 0.014 9 917 106 86 PHE H H 8.668 0.003 9 918 106 86 PHE HA H 4.910 0.007 9 919 106 86 PHE HB2 H 2.934 0.020 9 920 106 86 PHE HB3 H 2.862 0.020 9 921 106 86 PHE HD1 H 6.862 0.001 9 922 106 86 PHE HD2 H 6.862 0.001 9 923 106 86 PHE C C 171.435 0.210 9 924 106 86 PHE CA C 55.978 0.049 9 925 106 86 PHE CB C 41.362 0.025 9 926 106 86 PHE CD1 C 130.991 0.200 9 927 106 86 PHE CD2 C 130.991 0.200 9 928 106 86 PHE N N 118.465 0.017 9 929 107 87 LYS H H 8.170 0.002 9 930 107 87 LYS HA H 4.305 0.004 9 931 107 87 LYS HB2 H 1.648 0.004 9 932 107 87 LYS HB3 H 1.648 0.004 9 933 107 87 LYS HG2 H 1.235 0.004 9 934 107 87 LYS HG3 H 1.235 0.004 9 935 107 87 LYS HD2 H 1.661 0.002 9 936 107 87 LYS HD3 H 1.661 0.002 9 937 107 87 LYS HE2 H 2.960 0.007 9 938 107 87 LYS HE3 H 2.960 0.007 9 939 107 87 LYS C C 176.182 0.079 9 940 107 87 LYS CA C 55.728 0.051 9 941 107 87 LYS CB C 33.773 0.024 9 942 107 87 LYS CG C 24.440 0.020 9 943 107 87 LYS CD C 29.121 0.004 9 944 107 87 LYS CE C 41.673 0.020 9 945 107 87 LYS N N 120.523 0.015 9 946 108 88 THR H H 7.717 0.001 9 947 108 88 THR HA H 4.488 0.020 9 948 108 88 THR HB H 4.516 0.001 9 949 108 88 THR HG2 H 0.790 0.003 9 950 108 88 THR C C 173.924 0.100 9 951 108 88 THR CA C 60.806 0.022 9 952 108 88 THR CB C 70.606 0.018 9 953 108 88 THR CG2 C 24.545 0.020 9 954 108 88 THR N N 114.065 0.013 9 955 109 89 SER H H 9.025 0.004 9 956 109 89 SER HA H 4.538 0.010 9 957 109 89 SER HB2 H 3.870 0.006 9 958 109 89 SER HB3 H 3.870 0.006 9 959 109 89 SER C C 176.265 0.015 9 960 109 89 SER CA C 59.684 0.038 9 961 109 89 SER CB C 62.627 0.031 9 962 109 89 SER N N 117.669 0.006 9 963 110 90 LEU H H 7.206 0.002 9 964 110 90 LEU HA H 4.663 0.003 9 965 110 90 LEU HB2 H 1.478 0.004 9 966 110 90 LEU HB3 H 1.163 0.005 9 967 110 90 LEU HG H 1.263 0.005 9 968 110 90 LEU HD1 H 0.709 0.003 9 969 110 90 LEU HD2 H 0.742 0.006 9 970 110 90 LEU C C 174.426 0.023 9 971 110 90 LEU CA C 54.712 0.025 9 972 110 90 LEU CB C 46.991 0.042 9 973 110 90 LEU CG C 27.489 0.071 9 974 110 90 LEU CD1 C 24.864 0.015 9 975 110 90 LEU CD2 C 24.547 0.028 9 976 110 90 LEU N N 122.502 0.014 9 977 111 91 TYR H H 8.464 0.003 9 978 111 91 TYR HA H 4.512 0.018 9 979 111 91 TYR HB2 H 2.581 0.011 9 980 111 91 TYR HB3 H 2.860 0.020 9 981 111 91 TYR HD1 H 6.606 0.002 9 982 111 91 TYR HD2 H 6.606 0.002 9 983 111 91 TYR HE1 H 7.024 0.020 9 984 111 91 TYR HE2 H 7.024 0.020 9 985 111 91 TYR C C 173.016 0.013 9 986 111 91 TYR CA C 58.230 0.057 9 987 111 91 TYR CB C 41.621 0.023 9 988 111 91 TYR CD1 C 131.515 0.200 9 989 111 91 TYR CD2 C 131.515 0.200 9 990 111 91 TYR CE1 C 118.019 0.200 9 991 111 91 TYR CE2 C 118.019 0.200 9 992 111 91 TYR N N 122.846 0.032 9 993 112 92 TYR H H 7.800 0.001 9 994 112 92 TYR HA H 4.479 0.009 9 995 112 92 TYR HB2 H 2.894 0.020 9 996 112 92 TYR HB3 H 2.774 0.020 9 997 112 92 TYR HD1 H 6.745 0.006 9 998 112 92 TYR HD2 H 6.745 0.006 9 999 112 92 TYR HE1 H 6.495 0.001 9 1000 112 92 TYR HE2 H 6.495 0.001 9 1001 112 92 TYR C C 176.308 0.028 9 1002 112 92 TYR CA C 58.645 0.078 9 1003 112 92 TYR CB C 40.248 0.030 9 1004 112 92 TYR CD1 C 132.397 0.200 9 1005 112 92 TYR CD2 C 132.397 0.200 9 1006 112 92 TYR CE1 C 116.568 0.200 9 1007 112 92 TYR CE2 C 116.568 0.200 9 1008 112 92 TYR N N 124.215 0.014 9 1009 113 93 GLY H H 6.798 0.003 9 1010 113 93 GLY HA2 H 3.085 0.015 9 1011 113 93 GLY HA3 H 3.925 0.005 9 1012 113 93 GLY C C 171.965 0.020 9 1013 113 93 GLY CA C 45.855 0.026 9 1014 113 93 GLY N N 105.222 0.024 9 1015 114 94 TYR H H 8.778 0.003 9 1016 114 94 TYR HA H 4.847 0.002 9 1017 114 94 TYR HB2 H 3.089 0.008 9 1018 114 94 TYR HB3 H 3.407 0.002 9 1019 114 94 TYR HD1 H 7.134 0.010 9 1020 114 94 TYR HD2 H 7.134 0.010 9 1021 114 94 TYR HE1 H 6.826 0.010 9 1022 114 94 TYR HE2 H 6.826 0.010 9 1023 114 94 TYR C C 175.281 0.035 9 1024 114 94 TYR CA C 55.035 0.088 9 1025 114 94 TYR CB C 40.789 0.073 9 1026 114 94 TYR CE1 C 118.377 0.200 9 1027 114 94 TYR CE2 C 118.377 0.200 9 1028 114 94 TYR N N 121.683 0.035 9 1029 115 95 LYS H H 5.401 0.020 9 1030 115 95 LYS HA H 3.708 0.001 9 1031 115 95 LYS HB2 H 1.358 0.020 9 1032 115 95 LYS HB3 H 1.325 0.020 9 1033 115 95 LYS HG2 H 0.741 0.006 9 1034 115 95 LYS HG3 H 0.585 0.003 9 1035 115 95 LYS HD2 H 1.443 0.005 9 1036 115 95 LYS HD3 H 1.443 0.005 9 1037 115 95 LYS HE2 H 2.870 0.001 9 1038 115 95 LYS HE3 H 2.870 0.001 9 1039 115 95 LYS C C 175.405 0.020 9 1040 115 95 LYS CA C 58.829 0.081 9 1041 115 95 LYS CB C 33.096 0.033 9 1042 115 95 LYS CG C 23.880 0.076 9 1043 115 95 LYS CD C 29.422 0.022 9 1044 115 95 LYS CE C 41.786 0.020 9 1045 115 95 LYS N N 119.987 0.018 9 1046 116 96 GLU H H 7.583 0.020 9 1047 116 96 GLU HA H 4.346 0.020 9 1048 116 96 GLU C C 176.393 0.007 9 1049 116 96 GLU CA C 56.627 0.004 9 1050 116 96 GLU CB C 29.883 0.074 9 1051 116 96 GLU N N 117.051 0.043 9 1052 117 97 GLU H H 8.047 0.004 9 1053 117 97 GLU C C 178.366 0.004 9 1054 117 97 GLU CA C 57.015 0.070 9 1055 117 97 GLU CB C 32.376 0.026 9 1056 117 97 GLU N N 120.060 0.013 9 1057 118 98 GLN H H 8.911 0.003 9 1058 118 98 GLN HA H 3.957 0.003 9 1059 118 98 GLN HB2 H 2.226 0.003 9 1060 118 98 GLN HB3 H 2.226 0.003 9 1061 118 98 GLN HG2 H 2.381 0.001 9 1062 118 98 GLN HG3 H 2.383 0.004 9 1063 118 98 GLN HE21 H 6.940 0.020 9 1064 118 98 GLN HE22 H 7.560 0.020 9 1065 118 98 GLN C C 177.462 0.045 9 1066 118 98 GLN CA C 59.145 0.030 9 1067 118 98 GLN CB C 28.005 0.035 9 1068 118 98 GLN CG C 34.359 0.018 9 1069 118 98 GLN N N 121.938 0.015 9 1070 118 98 GLN NE2 N 111.995 0.001 9 1071 119 99 SER H H 8.433 0.001 9 1072 119 99 SER HA H 4.057 0.003 9 1073 119 99 SER HB2 H 4.261 0.003 9 1074 119 99 SER HB3 H 4.261 0.003 9 1075 119 99 SER C C 175.998 0.020 9 1076 119 99 SER CA C 59.581 0.037 9 1077 119 99 SER CB C 64.139 0.028 9 1078 119 99 SER N N 113.126 0.023 9 1079 120 100 VAL H H 7.206 0.003 9 1080 120 100 VAL HA H 4.023 0.009 9 1081 120 100 VAL HB H 2.144 0.001 9 1082 120 100 VAL HG1 H 0.756 0.003 9 1083 120 100 VAL HG2 H 0.922 0.020 9 1084 120 100 VAL C C 175.262 0.020 9 1085 120 100 VAL CA C 65.339 0.018 9 1086 120 100 VAL CB C 32.011 0.031 9 1087 120 100 VAL CG1 C 22.701 0.038 9 1088 120 100 VAL CG2 C 20.324 0.036 9 1089 120 100 VAL N N 123.203 0.025 9 1090 121 101 ILE H H 7.088 0.004 9 1091 121 101 ILE HA H 4.016 0.005 9 1092 121 101 ILE HB H 1.911 0.008 9 1093 121 101 ILE HG12 H 1.566 0.004 9 1094 121 101 ILE HG13 H 1.261 0.001 9 1095 121 101 ILE HG2 H 0.881 0.006 9 1096 121 101 ILE HD1 H 0.832 0.004 9 1097 121 101 ILE C C 177.206 0.031 9 1098 121 101 ILE CA C 63.076 0.024 9 1099 121 101 ILE CB C 37.180 0.059 9 1100 121 101 ILE CG1 C 27.832 0.029 9 1101 121 101 ILE CG2 C 17.073 0.005 9 1102 121 101 ILE CD1 C 11.497 0.057 9 1103 121 101 ILE N N 117.668 0.019 9 1104 122 102 ASN H H 8.628 0.002 9 1105 122 102 ASN HA H 4.958 0.003 9 1106 122 102 ASN HB2 H 2.925 0.002 9 1107 122 102 ASN HB3 H 2.679 0.010 9 1108 122 102 ASN HD21 H 6.937 0.020 9 1109 122 102 ASN HD22 H 7.668 0.020 9 1110 122 102 ASN C C 176.159 0.002 9 1111 122 102 ASN CA C 54.155 0.030 9 1112 122 102 ASN CB C 41.071 0.075 9 1113 122 102 ASN N N 114.907 0.018 9 1114 122 102 ASN ND2 N 113.347 0.001 9 1115 123 103 GLY H H 8.201 0.001 9 1116 123 103 GLY HA2 H 3.312 0.002 9 1117 123 103 GLY HA3 H 3.974 0.006 9 1118 123 103 GLY C C 173.332 0.015 9 1119 123 103 GLY CA C 44.598 0.054 9 1120 123 103 GLY N N 110.203 0.011 9 1121 124 104 ILE H H 8.697 0.001 9 1122 124 104 ILE HA H 4.391 0.007 9 1123 124 104 ILE HB H 1.662 0.009 9 1124 124 104 ILE HG12 H 1.449 0.020 9 1125 124 104 ILE HG13 H 1.138 0.006 9 1126 124 104 ILE HG2 H 0.847 0.003 9 1127 124 104 ILE HD1 H 0.822 0.003 9 1128 124 104 ILE C C 175.895 0.021 9 1129 124 104 ILE CA C 59.987 0.020 9 1130 124 104 ILE CB C 41.246 0.059 9 1131 124 104 ILE CG1 C 26.642 0.044 9 1132 124 104 ILE CG2 C 17.951 0.054 9 1133 124 104 ILE CD1 C 13.772 0.005 9 1134 124 104 ILE N N 117.657 0.020 9 1135 125 105 GLN H H 8.692 0.001 9 1136 125 105 GLN HA H 4.716 0.005 9 1137 125 105 GLN HB2 H 1.955 0.020 9 1138 125 105 GLN HB3 H 1.874 0.020 9 1139 125 105 GLN HG2 H 2.326 0.020 9 1140 125 105 GLN HG3 H 2.303 0.020 9 1141 125 105 GLN HE21 H 6.804 0.020 9 1142 125 105 GLN HE22 H 7.431 0.020 9 1143 125 105 GLN C C 176.524 0.006 9 1144 125 105 GLN CA C 55.350 0.032 9 1145 125 105 GLN CB C 30.532 0.013 9 1146 125 105 GLN CG C 34.483 0.054 9 1147 125 105 GLN N N 125.464 0.017 9 1148 125 105 GLN NE2 N 111.810 0.001 9 1149 126 106 ASN H H 7.926 0.002 9 1150 126 106 ASN HA H 4.782 0.001 9 1151 126 106 ASN HB2 H 2.824 0.020 9 1152 126 106 ASN HB3 H 2.824 0.020 9 1153 126 106 ASN HD21 H 6.970 0.020 9 1154 126 106 ASN HD22 H 7.590 0.020 9 1155 126 106 ASN C C 174.174 0.017 9 1156 126 106 ASN CA C 54.159 0.019 9 1157 126 106 ASN CB C 37.012 0.022 9 1158 126 106 ASN N N 116.781 0.013 9 1159 126 106 ASN ND2 N 114.060 0.001 9 1160 127 107 LYS H H 7.157 0.004 9 1161 127 107 LYS HA H 4.025 0.004 9 1162 127 107 LYS HB2 H 1.267 0.007 9 1163 127 107 LYS HB3 H 1.446 0.006 9 1164 127 107 LYS HG2 H 0.946 0.003 9 1165 127 107 LYS HG3 H 0.735 0.008 9 1166 127 107 LYS HD2 H 0.871 0.007 9 1167 127 107 LYS HD3 H 1.183 0.004 9 1168 127 107 LYS HE2 H 1.951 0.010 9 1169 127 107 LYS HE3 H 2.249 0.005 9 1170 127 107 LYS C C 176.391 0.007 9 1171 127 107 LYS CA C 56.058 0.047 9 1172 127 107 LYS CB C 33.075 0.076 9 1173 127 107 LYS CG C 24.208 0.027 9 1174 127 107 LYS CD C 28.957 0.065 9 1175 127 107 LYS CE C 42.035 0.025 9 1176 127 107 LYS N N 118.761 0.015 9 1177 128 108 GLU H H 8.981 0.002 9 1178 128 108 GLU HA H 4.391 0.006 9 1179 128 108 GLU HB2 H 1.702 0.008 9 1180 128 108 GLU HB3 H 1.793 0.020 9 1181 128 108 GLU HG2 H 1.817 0.004 9 1182 128 108 GLU HG3 H 1.906 0.001 9 1183 128 108 GLU C C 174.446 0.020 9 1184 128 108 GLU CA C 56.031 0.014 9 1185 128 108 GLU CB C 30.573 0.055 9 1186 128 108 GLU CG C 36.517 0.020 9 1187 128 108 GLU N N 132.000 0.010 9 1188 129 109 ILE H H 8.605 0.002 9 1189 129 109 ILE HA H 4.120 0.001 9 1190 129 109 ILE HB H 0.315 0.010 9 1191 129 109 ILE HG12 H 0.582 0.001 9 1192 129 109 ILE HG13 H 0.361 0.003 9 1193 129 109 ILE HG2 H 0.179 0.005 9 1194 129 109 ILE HD1 H 0.078 0.007 9 1195 129 109 ILE C C 173.679 0.020 9 1196 129 109 ILE CA C 58.593 0.002 9 1197 129 109 ILE CB C 36.372 0.032 9 1198 129 109 ILE CG1 C 26.757 0.035 9 1199 129 109 ILE CG2 C 17.286 0.036 9 1200 129 109 ILE CD1 C 10.336 0.060 9 1201 129 109 ILE N N 129.425 0.014 9 1202 130 110 ILE H H 8.333 0.002 9 1203 130 110 ILE HA H 4.685 0.003 9 1204 130 110 ILE HB H 1.665 0.006 9 1205 130 110 ILE HG12 H 1.390 0.001 9 1206 130 110 ILE HG13 H 0.921 0.006 9 1207 130 110 ILE HG2 H 0.829 0.004 9 1208 130 110 ILE HD1 H 0.798 0.005 9 1209 130 110 ILE C C 176.952 0.026 9 1210 130 110 ILE CA C 59.918 0.028 9 1211 130 110 ILE CB C 39.603 0.053 9 1212 130 110 ILE CG1 C 27.911 0.033 9 1213 130 110 ILE CG2 C 17.716 0.018 9 1214 130 110 ILE CD1 C 14.001 0.064 9 1215 130 110 ILE N N 126.991 0.016 9 1216 131 111 THR H H 9.556 0.001 9 1217 131 111 THR HA H 5.903 0.003 9 1218 131 111 THR HB H 4.456 0.002 9 1219 131 111 THR HG2 H 1.070 0.003 9 1220 131 111 THR C C 174.733 0.009 9 1221 131 111 THR CA C 58.391 0.018 9 1222 131 111 THR CB C 71.169 0.020 9 1223 131 111 THR CG2 C 23.009 0.080 9 1224 131 111 THR N N 118.698 0.016 9 1225 132 112 LYS H H 8.986 0.001 9 1226 132 112 LYS HA H 4.711 0.007 9 1227 132 112 LYS HB2 H 1.809 0.003 9 1228 132 112 LYS HB3 H 1.809 0.003 9 1229 132 112 LYS HG2 H 1.258 0.020 9 1230 132 112 LYS HG3 H 1.456 0.020 9 1231 132 112 LYS HD2 H 1.632 0.020 9 1232 132 112 LYS HD3 H 1.632 0.020 9 1233 132 112 LYS HE2 H 2.925 0.020 9 1234 132 112 LYS HE3 H 2.952 0.020 9 1235 132 112 LYS C C 174.454 0.053 9 1236 132 112 LYS CA C 54.841 0.032 9 1237 132 112 LYS CB C 36.059 0.046 9 1238 132 112 LYS CG C 23.636 0.020 9 1239 132 112 LYS CD C 29.481 0.020 9 1240 132 112 LYS CE C 42.122 0.120 9 1241 132 112 LYS N N 119.340 0.011 9 1242 133 113 ILE H H 8.560 0.002 9 1243 133 113 ILE HA H 5.053 0.002 9 1244 133 113 ILE HB H 1.613 0.006 9 1245 133 113 ILE HG12 H 1.430 0.007 9 1246 133 113 ILE HG13 H 0.782 0.006 9 1247 133 113 ILE HG2 H 0.755 0.003 9 1248 133 113 ILE HD1 H 0.731 0.003 9 1249 133 113 ILE C C 176.527 0.002 9 1250 133 113 ILE CA C 61.252 0.042 9 1251 133 113 ILE CB C 38.328 0.056 9 1252 133 113 ILE CG1 C 29.283 0.075 9 1253 133 113 ILE CG2 C 17.624 0.029 9 1254 133 113 ILE CD1 C 13.729 0.055 9 1255 133 113 ILE N N 122.404 0.019 9 1256 134 114 GLU H H 9.412 0.005 9 1257 134 114 GLU HA H 4.727 0.009 9 1258 134 114 GLU HB2 H 1.753 0.003 9 1259 134 114 GLU HB3 H 1.946 0.004 9 1260 134 114 GLU HG2 H 2.175 0.001 9 1261 134 114 GLU HG3 H 2.092 0.001 9 1262 134 114 GLU C C 174.467 0.020 9 1263 134 114 GLU CA C 54.922 0.038 9 1264 134 114 GLU CB C 34.668 0.046 9 1265 134 114 GLU CG C 36.618 0.018 9 1266 134 114 GLU N N 128.438 0.004 9 1267 135 115 LYS H H 8.790 0.001 9 1268 135 115 LYS HA H 4.957 0.004 9 1269 135 115 LYS HB2 H 1.523 0.008 9 1270 135 115 LYS HB3 H 1.698 0.006 9 1271 135 115 LYS HG2 H 1.060 0.006 9 1272 135 115 LYS HG3 H 1.289 0.006 9 1273 135 115 LYS HD2 H 1.549 0.020 9 1274 135 115 LYS HD3 H 1.549 0.020 9 1275 135 115 LYS HE2 H 2.856 0.020 9 1276 135 115 LYS HE3 H 2.856 0.020 9 1277 135 115 LYS C C 176.433 0.020 9 1278 135 115 LYS CA C 55.789 0.013 9 1279 135 115 LYS CB C 33.535 0.019 9 1280 135 115 LYS CG C 26.019 0.034 9 1281 135 115 LYS CD C 29.492 0.018 9 1282 135 115 LYS CE C 41.811 0.020 9 1283 135 115 LYS N N 123.027 0.013 9 1284 136 116 ILE H H 9.023 0.005 9 1285 136 116 ILE HA H 4.059 0.001 9 1286 136 116 ILE HB H 1.319 0.003 9 1287 136 116 ILE HG12 H 0.454 0.009 9 1288 136 116 ILE HG13 H 0.951 0.002 9 1289 136 116 ILE HG2 H 0.446 0.003 9 1290 136 116 ILE HD1 H -1.001 0.005 9 1291 136 116 ILE C C 175.979 0.011 9 1292 136 116 ILE CA C 61.403 0.007 9 1293 136 116 ILE CB C 39.308 0.031 9 1294 136 116 ILE CG1 C 26.317 0.024 9 1295 136 116 ILE CG2 C 16.565 0.023 9 1296 136 116 ILE CD1 C 10.743 0.041 9 1297 136 116 ILE N N 125.979 0.018 9 1298 137 117 ASP H H 9.394 0.005 9 1299 137 117 ASP HA H 4.285 0.007 9 1300 137 117 ASP HB2 H 2.614 0.020 9 1301 137 117 ASP HB3 H 2.966 0.020 9 1302 137 117 ASP C C 176.425 0.009 9 1303 137 117 ASP CA C 55.459 0.016 9 1304 137 117 ASP CB C 39.833 0.022 9 1305 137 117 ASP N N 128.442 0.019 9 1306 138 118 GLY H H 8.532 0.004 9 1307 138 118 GLY HA2 H 3.548 0.005 9 1308 138 118 GLY HA3 H 4.272 0.005 9 1309 138 118 GLY C C 173.883 0.023 9 1310 138 118 GLY CA C 45.635 0.038 9 1311 138 118 GLY N N 102.670 0.015 9 1312 139 119 THR H H 7.813 0.001 9 1313 139 119 THR HA H 4.536 0.013 9 1314 139 119 THR HB H 4.088 0.004 9 1315 139 119 THR HG2 H 1.014 0.005 9 1316 139 119 THR C C 172.950 0.005 9 1317 139 119 THR CA C 61.600 0.058 9 1318 139 119 THR CB C 71.414 0.009 9 1319 139 119 THR CG2 C 21.641 0.020 9 1320 139 119 THR N N 118.157 0.011 9 1321 140 120 GLU H H 8.806 0.002 9 1322 140 120 GLU HA H 4.419 0.001 9 1323 140 120 GLU HB2 H 1.644 0.007 9 1324 140 120 GLU HB3 H 2.048 0.001 9 1325 140 120 GLU HG2 H 2.273 0.003 9 1326 140 120 GLU HG3 H 1.920 0.004 9 1327 140 120 GLU C C 175.667 0.002 9 1328 140 120 GLU CA C 57.859 0.026 9 1329 140 120 GLU CB C 31.315 0.032 9 1330 140 120 GLU CG C 37.944 0.038 9 1331 140 120 GLU N N 123.684 0.018 9 1332 141 121 TYR H H 9.458 0.001 9 1333 141 121 TYR HA H 4.773 0.003 9 1334 141 121 TYR HB2 H 2.422 0.020 9 1335 141 121 TYR HB3 H 2.398 0.020 9 1336 141 121 TYR HD1 H 6.762 0.020 9 1337 141 121 TYR HD2 H 6.762 0.020 9 1338 141 121 TYR HE1 H 6.631 0.020 9 1339 141 121 TYR HE2 H 6.631 0.020 9 1340 141 121 TYR C C 174.941 0.008 9 1341 141 121 TYR CA C 57.473 0.043 9 1342 141 121 TYR CB C 41.317 0.015 9 1343 141 121 TYR CE1 C 116.555 0.020 9 1344 141 121 TYR CE2 C 116.555 0.020 9 1345 141 121 TYR N N 123.889 0.011 9 1346 142 122 ILE H H 9.181 0.003 9 1347 142 122 ILE HA H 4.879 0.005 9 1348 142 122 ILE HB H 1.912 0.005 9 1349 142 122 ILE HG12 H 1.353 0.001 9 1350 142 122 ILE HG13 H 1.773 0.001 9 1351 142 122 ILE HG2 H 1.048 0.020 9 1352 142 122 ILE HD1 H 0.573 0.004 9 1353 142 122 ILE C C 175.246 0.054 9 1354 142 122 ILE CA C 57.969 0.068 9 1355 142 122 ILE CB C 37.954 0.023 9 1356 142 122 ILE CG1 C 26.918 0.028 9 1357 142 122 ILE CG2 C 17.616 0.009 9 1358 142 122 ILE CD1 C 10.848 0.059 9 1359 142 122 ILE N N 122.580 0.012 9 1360 143 123 THR H H 9.312 0.001 9 1361 143 123 THR HA H 5.959 0.004 9 1362 143 123 THR HB H 4.487 0.003 9 1363 143 123 THR HG2 H 0.927 0.003 9 1364 143 123 THR C C 174.140 0.025 9 1365 143 123 THR CA C 58.448 0.032 9 1366 143 123 THR CB C 71.840 0.024 9 1367 143 123 THR CG2 C 22.026 0.028 9 1368 143 123 THR N N 118.894 0.014 9 1369 144 124 PHE H H 8.548 0.001 9 1370 144 124 PHE HA H 5.289 0.002 9 1371 144 124 PHE HB2 H 3.363 0.003 9 1372 144 124 PHE HB3 H 2.992 0.004 9 1373 144 124 PHE HD1 H 6.996 0.020 9 1374 144 124 PHE HD2 H 6.996 0.020 9 1375 144 124 PHE HE1 H 7.230 0.020 9 1376 144 124 PHE HE2 H 7.230 0.020 9 1377 144 124 PHE C C 173.728 0.012 9 1378 144 124 PHE CA C 56.725 0.025 9 1379 144 124 PHE CB C 41.335 0.064 9 1380 144 124 PHE CE1 C 128.961 0.200 9 1381 144 124 PHE CE2 C 128.961 0.200 9 1382 144 124 PHE N N 113.633 0.011 9 1383 145 125 SER H H 8.425 0.001 9 1384 145 125 SER HA H 5.515 0.004 9 1385 145 125 SER HB2 H 3.916 0.002 9 1386 145 125 SER HB3 H 3.915 0.002 9 1387 145 125 SER C C 174.934 0.002 9 1388 145 125 SER CA C 57.356 0.040 9 1389 145 125 SER CB C 65.118 0.033 9 1390 145 125 SER N N 114.684 0.012 9 1391 146 126 GLY H H 9.069 0.003 9 1392 146 126 GLY HA2 H 3.961 0.007 9 1393 146 126 GLY HA3 H 4.283 0.003 9 1394 146 126 GLY C C 173.182 0.100 9 1395 146 126 GLY CA C 43.956 0.074 9 1396 146 126 GLY N N 111.303 0.015 9 1397 147 127 ASP H H 10.227 0.005 9 1398 147 127 ASP HA H 4.932 0.002 9 1399 147 127 ASP HB2 H 3.057 0.008 9 1400 147 127 ASP HB3 H 2.549 0.006 9 1401 147 127 ASP C C 175.280 0.020 9 1402 147 127 ASP CA C 52.141 0.013 9 1403 147 127 ASP CB C 45.216 0.022 9 1404 147 127 ASP N N 127.236 0.012 9 1405 148 128 LYS H H 8.313 0.001 9 1406 148 128 LYS HA H 4.443 0.006 9 1407 148 128 LYS HB2 H 1.758 0.002 9 1408 148 128 LYS HB3 H 1.556 0.003 9 1409 148 128 LYS HG2 H 1.318 0.001 9 1410 148 128 LYS HG3 H 1.481 0.011 9 1411 148 128 LYS HE2 H 2.947 0.020 9 1412 148 128 LYS HE3 H 2.947 0.020 9 1413 148 128 LYS C C 176.246 0.100 9 1414 148 128 LYS CA C 56.733 0.050 9 1415 148 128 LYS CB C 33.737 0.076 9 1416 148 128 LYS CG C 25.432 0.055 9 1417 148 128 LYS CD C 29.127 0.020 9 1418 148 128 LYS CE C 42.048 0.100 9 1419 148 128 LYS N N 118.854 0.015 9 1420 149 129 ILE H H 8.252 0.002 9 1421 149 129 ILE HA H 4.291 0.001 9 1422 149 129 ILE HB H 1.620 0.006 9 1423 149 129 ILE HG12 H 1.414 0.001 9 1424 149 129 ILE HG13 H 1.004 0.001 9 1425 149 129 ILE HG2 H 0.961 0.003 9 1426 149 129 ILE HD1 H 0.646 0.006 9 1427 149 129 ILE C C 177.632 0.020 9 1428 149 129 ILE CA C 59.410 0.015 9 1429 149 129 ILE CB C 37.690 0.052 9 1430 149 129 ILE CG1 C 27.932 0.023 9 1431 149 129 ILE CG2 C 17.512 0.068 9 1432 149 129 ILE CD1 C 11.916 0.024 9 1433 149 129 ILE N N 122.932 0.017 9 1434 150 130 LYS H H 8.880 0.003 9 1435 150 130 LYS HA H 3.986 0.001 9 1436 150 130 LYS HB2 H 1.651 0.020 9 1437 150 130 LYS HB3 H 1.720 0.020 9 1438 150 130 LYS C C 176.862 0.030 9 1439 150 130 LYS CA C 58.351 0.033 9 1440 150 130 LYS CB C 32.996 0.008 9 1441 150 130 LYS CG C 24.543 0.020 9 1442 150 130 LYS CD C 29.640 0.020 9 1443 150 130 LYS CE C 41.913 0.020 9 1444 150 130 LYS N N 128.757 0.011 9 1445 151 131 ASN H H 9.036 0.002 9 1446 151 131 ASN HA H 4.463 0.002 9 1447 151 131 ASN HB2 H 2.897 0.001 9 1448 151 131 ASN HB3 H 3.022 0.002 9 1449 151 131 ASN C C 174.654 0.050 9 1450 151 131 ASN CA C 54.591 0.034 9 1451 151 131 ASN CB C 37.578 0.026 9 1452 151 131 ASN N N 117.661 0.010 9 1453 152 132 SER H H 7.879 0.001 9 1454 152 132 SER HA H 4.697 0.003 9 1455 152 132 SER HB2 H 3.756 0.003 9 1456 152 132 SER HB3 H 3.654 0.003 9 1457 152 132 SER C C 175.168 0.020 9 1458 152 132 SER CA C 57.309 0.031 9 1459 152 132 SER CB C 64.910 0.016 9 1460 152 132 SER N N 112.891 0.011 9 1461 153 133 GLY H H 8.666 0.002 9 1462 153 133 GLY HA2 H 3.875 0.020 9 1463 153 133 GLY HA3 H 3.875 0.020 9 1464 153 133 GLY C C 174.526 0.033 9 1465 153 133 GLY CA C 46.764 0.021 9 1466 153 133 GLY N N 112.014 0.014 9 1467 154 134 ASP H H 8.466 0.001 9 1468 154 134 ASP HA H 4.523 0.002 9 1469 154 134 ASP HB2 H 2.660 0.003 9 1470 154 134 ASP HB3 H 2.660 0.003 9 1471 154 134 ASP C C 175.522 0.035 9 1472 154 134 ASP CA C 54.241 0.019 9 1473 154 134 ASP CB C 40.872 0.027 9 1474 154 134 ASP N N 120.149 0.013 9 1475 155 135 LYS H H 7.734 0.001 9 1476 155 135 LYS HA H 4.328 0.013 9 1477 155 135 LYS HB2 H 1.812 0.020 9 1478 155 135 LYS HB3 H 1.700 0.020 9 1479 155 135 LYS HG2 H 1.377 0.010 9 1480 155 135 LYS HG3 H 1.377 0.010 9 1481 155 135 LYS HD2 H 1.630 0.020 9 1482 155 135 LYS HD3 H 1.630 0.020 9 1483 155 135 LYS HE2 H 2.959 0.006 9 1484 155 135 LYS HE3 H 2.959 0.006 9 1485 155 135 LYS C C 175.608 0.020 9 1486 155 135 LYS CA C 56.149 0.067 9 1487 155 135 LYS CB C 33.722 0.027 9 1488 155 135 LYS CG C 24.666 0.071 9 1489 155 135 LYS CD C 28.783 0.016 9 1490 155 135 LYS CE C 42.128 0.200 9 1491 155 135 LYS N N 120.808 0.013 9 1492 156 136 VAL H H 7.950 0.002 9 1493 156 136 VAL HA H 4.750 0.003 9 1494 156 136 VAL HB H 1.850 0.001 9 1495 156 136 VAL HG1 H 0.796 0.004 9 1496 156 136 VAL HG2 H 0.777 0.003 9 1497 156 136 VAL C C 175.889 0.020 9 1498 156 136 VAL CA C 59.173 0.036 9 1499 156 136 VAL CB C 34.912 0.029 9 1500 156 136 VAL CG1 C 21.452 0.071 9 1501 156 136 VAL CG2 C 19.634 0.064 9 1502 156 136 VAL N N 116.562 0.001 9 1503 157 137 ALA H H 7.906 0.002 9 1504 157 137 ALA HA H 4.167 0.003 9 1505 157 137 ALA HB H 1.376 0.004 9 1506 157 137 ALA C C 176.522 0.006 9 1507 157 137 ALA CA C 52.288 0.022 9 1508 157 137 ALA CB C 20.406 0.010 9 1509 157 137 ALA N N 125.977 0.010 9 1510 158 138 GLU H H 7.937 0.002 9 1511 158 138 GLU HA H 4.903 0.002 9 1512 158 138 GLU HB2 H 1.979 0.006 9 1513 158 138 GLU HB3 H 1.232 0.005 9 1514 158 138 GLU HG2 H 2.126 0.002 9 1515 158 138 GLU HG3 H 2.028 0.004 9 1516 158 138 GLU C C 173.637 0.019 9 1517 158 138 GLU CA C 56.047 0.043 9 1518 158 138 GLU CB C 35.003 0.067 9 1519 158 138 GLU CG C 37.368 0.070 9 1520 158 138 GLU N N 120.197 0.006 9 1521 159 139 TYR H H 8.459 0.002 9 1522 159 139 TYR HA H 5.565 0.003 9 1523 159 139 TYR HB2 H 2.559 0.020 9 1524 159 139 TYR HB3 H 1.147 0.001 9 1525 159 139 TYR HD1 H 6.864 0.020 9 1526 159 139 TYR HD2 H 6.864 0.020 9 1527 159 139 TYR HE1 H 6.552 0.020 9 1528 159 139 TYR HE2 H 6.552 0.020 9 1529 159 139 TYR C C 174.450 0.003 9 1530 159 139 TYR CA C 57.720 0.030 9 1531 159 139 TYR CB C 43.959 0.032 9 1532 159 139 TYR N N 118.334 0.037 9 1533 160 140 ALA H H 8.280 0.001 9 1534 160 140 ALA HA H 5.504 0.007 9 1535 160 140 ALA HB H 0.052 0.004 9 1536 160 140 ALA C C 176.345 0.013 9 1537 160 140 ALA CA C 50.694 0.019 9 1538 160 140 ALA CB C 22.957 0.023 9 1539 160 140 ALA N N 118.556 0.014 9 1540 161 141 ILE H H 9.219 0.002 9 1541 161 141 ILE HA H 4.499 0.004 9 1542 161 141 ILE HB H 1.586 0.002 9 1543 161 141 ILE HG12 H 1.174 0.001 9 1544 161 141 ILE HG13 H 1.768 0.003 9 1545 161 141 ILE HG2 H 1.172 0.003 9 1546 161 141 ILE HD1 H 0.984 0.004 9 1547 161 141 ILE C C 174.583 0.012 9 1548 161 141 ILE CA C 60.379 0.027 9 1549 161 141 ILE CB C 43.741 0.029 9 1550 161 141 ILE CG1 C 27.639 0.041 9 1551 161 141 ILE CG2 C 18.035 0.031 9 1552 161 141 ILE CD1 C 15.510 0.065 9 1553 161 141 ILE N N 120.632 0.014 9 1554 162 142 SER H H 9.562 0.003 9 1555 162 142 SER HA H 3.306 0.003 9 1556 162 142 SER HB2 H 3.738 0.020 9 1557 162 142 SER HB3 H 3.695 0.020 9 1558 162 142 SER C C 175.098 0.022 9 1559 162 142 SER CA C 59.065 0.035 9 1560 162 142 SER CB C 62.811 0.013 9 1561 162 142 SER N N 124.538 0.016 9 1562 163 143 LEU H H 8.248 0.001 9 1563 163 143 LEU HA H 4.091 0.006 9 1564 163 143 LEU HB2 H 1.041 0.006 9 1565 163 143 LEU HB3 H 1.629 0.006 9 1566 163 143 LEU HG H 1.428 0.003 9 1567 163 143 LEU HD1 H 0.965 0.007 9 1568 163 143 LEU HD2 H 0.836 0.005 9 1569 163 143 LEU C C 178.459 0.025 9 1570 163 143 LEU CA C 57.766 0.056 9 1571 163 143 LEU CB C 42.654 0.042 9 1572 163 143 LEU CG C 27.167 0.018 9 1573 163 143 LEU CD1 C 23.591 0.006 9 1574 163 143 LEU CD2 C 26.282 0.020 9 1575 163 143 LEU N N 130.239 0.015 9 1576 164 144 GLU H H 8.652 0.001 9 1577 164 144 GLU HA H 3.839 0.003 9 1578 164 144 GLU HB2 H 1.903 0.011 9 1579 164 144 GLU HB3 H 1.842 0.020 9 1580 164 144 GLU HG2 H 2.187 0.005 9 1581 164 144 GLU HG3 H 2.241 0.011 9 1582 164 144 GLU C C 179.254 0.013 9 1583 164 144 GLU CA C 59.285 0.033 9 1584 164 144 GLU CB C 29.291 0.039 9 1585 164 144 GLU CG C 35.969 0.004 9 1586 164 144 GLU N N 118.517 0.016 9 1587 165 145 GLU H H 7.339 0.002 9 1588 165 145 GLU HA H 3.904 0.007 9 1589 165 145 GLU HB2 H 2.024 0.009 9 1590 165 145 GLU HB3 H 2.132 0.008 9 1591 165 145 GLU HG2 H 2.395 0.001 9 1592 165 145 GLU HG3 H 2.241 0.003 9 1593 165 145 GLU C C 179.324 0.020 9 1594 165 145 GLU CA C 59.294 0.025 9 1595 165 145 GLU CB C 30.232 0.037 9 1596 165 145 GLU CG C 37.196 0.063 9 1597 165 145 GLU N N 117.450 0.011 9 1598 166 146 LEU H H 7.582 0.002 9 1599 166 146 LEU HA H 3.781 0.002 9 1600 166 146 LEU HB2 H 1.222 0.004 9 1601 166 146 LEU HB3 H 2.009 0.005 9 1602 166 146 LEU HG H 1.733 0.006 9 1603 166 146 LEU HD1 H 1.021 0.004 9 1604 166 146 LEU HD2 H 0.818 0.004 9 1605 166 146 LEU C C 178.581 0.003 9 1606 166 146 LEU CA C 58.558 0.058 9 1607 166 146 LEU CB C 41.547 0.030 9 1608 166 146 LEU CG C 27.594 0.077 9 1609 166 146 LEU CD1 C 26.169 0.022 9 1610 166 146 LEU CD2 C 22.871 0.031 9 1611 166 146 LEU N N 120.525 0.010 9 1612 167 147 LYS H H 8.759 0.001 9 1613 167 147 LYS HA H 3.701 0.006 9 1614 167 147 LYS HB2 H 1.733 0.011 9 1615 167 147 LYS HB3 H 1.739 0.004 9 1616 167 147 LYS HG2 H 1.594 0.003 9 1617 167 147 LYS HG3 H 1.257 0.006 9 1618 167 147 LYS HE2 H 2.900 0.001 9 1619 167 147 LYS HE3 H 2.808 0.020 9 1620 167 147 LYS C C 178.673 0.015 9 1621 167 147 LYS CA C 60.131 0.056 9 1622 167 147 LYS CB C 32.475 0.068 9 1623 167 147 LYS CG C 26.621 0.030 9 1624 167 147 LYS CD C 29.708 0.020 9 1625 167 147 LYS CE C 41.730 0.020 9 1626 167 147 LYS N N 118.242 0.021 9 1627 168 148 LYS H H 7.492 0.002 9 1628 168 148 LYS HA H 3.900 0.006 9 1629 168 148 LYS HB2 H 1.659 0.007 9 1630 168 148 LYS HB3 H 1.795 0.002 9 1631 168 148 LYS HG2 H 1.369 0.020 9 1632 168 148 LYS HG3 H 1.302 0.009 9 1633 168 148 LYS HD2 H 1.581 0.011 9 1634 168 148 LYS HD3 H 1.581 0.011 9 1635 168 148 LYS HE2 H 2.858 0.020 9 1636 168 148 LYS HE3 H 2.858 0.020 9 1637 168 148 LYS C C 176.750 0.011 9 1638 168 148 LYS CA C 58.332 0.077 9 1639 168 148 LYS CB C 32.509 0.034 9 1640 168 148 LYS CG C 24.527 0.020 9 1641 168 148 LYS CD C 29.413 0.001 9 1642 168 148 LYS CE C 41.947 0.200 9 1643 168 148 LYS N N 115.185 0.015 9 1644 169 149 ASN H H 6.740 0.001 9 1645 169 149 ASN HA H 4.272 0.005 9 1646 169 149 ASN HB2 H 1.288 0.002 9 1647 169 149 ASN HB3 H 0.461 0.011 9 1648 169 149 ASN HD21 H 7.343 0.020 9 1649 169 149 ASN HD22 H 7.097 0.020 9 1650 169 149 ASN C C 174.680 0.100 9 1651 169 149 ASN CA C 54.678 0.029 9 1652 169 149 ASN CB C 40.335 0.032 9 1653 169 149 ASN N N 113.491 0.007 9 1654 169 149 ASN ND2 N 115.875 0.001 9 1655 170 150 LEU H H 7.686 0.001 9 1656 170 150 LEU HA H 4.107 0.004 9 1657 170 150 LEU HB2 H 1.372 0.004 9 1658 170 150 LEU HB3 H 1.419 0.003 9 1659 170 150 LEU HG H 1.307 0.002 9 1660 170 150 LEU HD1 H 0.587 0.002 9 1661 170 150 LEU HD2 H 0.583 0.004 9 1662 170 150 LEU C C 173.992 0.013 9 1663 170 150 LEU CA C 54.219 0.042 9 1664 170 150 LEU CB C 41.488 0.026 9 1665 170 150 LEU CG C 26.411 0.020 9 1666 170 150 LEU CD1 C 26.710 0.014 9 1667 170 150 LEU CD2 C 24.587 0.077 9 1668 170 150 LEU N N 119.584 0.020 9 1669 171 151 LYS H H 7.507 0.001 9 1670 171 151 LYS HA H 4.139 0.004 9 1671 171 151 LYS HB2 H 1.692 0.020 9 1672 171 151 LYS HB3 H 1.814 0.003 9 1673 171 151 LYS HG2 H 1.218 0.002 9 1674 171 151 LYS HG3 H 1.218 0.002 9 1675 171 151 LYS HD2 H 1.563 0.020 9 1676 171 151 LYS HD3 H 1.563 0.020 9 1677 171 151 LYS HE2 H 2.923 0.020 9 1678 171 151 LYS HE3 H 2.923 0.020 9 1679 171 151 LYS C C 180.360 0.200 9 1680 171 151 LYS CA C 57.014 0.015 9 1681 171 151 LYS CB C 33.342 0.031 9 1682 171 151 LYS CG C 24.144 0.018 9 1683 171 151 LYS CD C 28.897 0.020 9 1684 171 151 LYS N N 125.590 0.024 9 stop_ save_