data_19220 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of a proteasome related subunit N terminal domain ; _BMRB_accession_number 19220 _BMRB_flat_file_name bmr19220.str _Entry_type original _Submission_date 2013-05-03 _Accession_date 2013-05-03 _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 Wu Yujie . . 2 Hu Yunfei . . 3 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 879 "13C chemical shifts" 670 "15N chemical shifts" 170 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-02-02 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19221 'proteasome related subunit C terminal domain' stop_ _Original_release_date 2015-02-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Yeast Rpn9: Insights for Proteasome Lid Assembly' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25631053 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Yujie . . 2 Hu Yunfei . . 3 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'proteasome related subunit N terminal domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'proteasome related subunit N terminal domain' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 18924.596 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; GSHMFNNHEIDTILSTLRME ADPSLHPLFEQFEKFYEEKL WFQLSESLTKFFDDAKSTPL RLRLYDNFVSKFYDKINQLS VVKYLLASLKDSKDFDESLK YLDDLKAQFQELDSKKQRNN GSKDHGDGILLIDSEIARTY LLKNDLVKARDLLDDLEKTL DKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 PHE 6 3 ASN 7 4 ASN 8 5 HIS 9 6 GLU 10 7 ILE 11 8 ASP 12 9 THR 13 10 ILE 14 11 LEU 15 12 SER 16 13 THR 17 14 LEU 18 15 ARG 19 16 MET 20 17 GLU 21 18 ALA 22 19 ASP 23 20 PRO 24 21 SER 25 22 LEU 26 23 HIS 27 24 PRO 28 25 LEU 29 26 PHE 30 27 GLU 31 28 GLN 32 29 PHE 33 30 GLU 34 31 LYS 35 32 PHE 36 33 TYR 37 34 GLU 38 35 GLU 39 36 LYS 40 37 LEU 41 38 TRP 42 39 PHE 43 40 GLN 44 41 LEU 45 42 SER 46 43 GLU 47 44 SER 48 45 LEU 49 46 THR 50 47 LYS 51 48 PHE 52 49 PHE 53 50 ASP 54 51 ASP 55 52 ALA 56 53 LYS 57 54 SER 58 55 THR 59 56 PRO 60 57 LEU 61 58 ARG 62 59 LEU 63 60 ARG 64 61 LEU 65 62 TYR 66 63 ASP 67 64 ASN 68 65 PHE 69 66 VAL 70 67 SER 71 68 LYS 72 69 PHE 73 70 TYR 74 71 ASP 75 72 LYS 76 73 ILE 77 74 ASN 78 75 GLN 79 76 LEU 80 77 SER 81 78 VAL 82 79 VAL 83 80 LYS 84 81 TYR 85 82 LEU 86 83 LEU 87 84 ALA 88 85 SER 89 86 LEU 90 87 LYS 91 88 ASP 92 89 SER 93 90 LYS 94 91 ASP 95 92 PHE 96 93 ASP 97 94 GLU 98 95 SER 99 96 LEU 100 97 LYS 101 98 TYR 102 99 LEU 103 100 ASP 104 101 ASP 105 102 LEU 106 103 LYS 107 104 ALA 108 105 GLN 109 106 PHE 110 107 GLN 111 108 GLU 112 109 LEU 113 110 ASP 114 111 SER 115 112 LYS 116 113 LYS 117 114 GLN 118 115 ARG 119 116 ASN 120 117 ASN 121 118 GLY 122 119 SER 123 120 LYS 124 121 ASP 125 122 HIS 126 123 GLY 127 124 ASP 128 125 GLY 129 126 ILE 130 127 LEU 131 128 LEU 132 129 ILE 133 130 ASP 134 131 SER 135 132 GLU 136 133 ILE 137 134 ALA 138 135 ARG 139 136 THR 140 137 TYR 141 138 LEU 142 139 LEU 143 140 LYS 144 141 ASN 145 142 ASP 146 143 LEU 147 144 VAL 148 145 LYS 149 146 ALA 150 147 ARG 151 148 ASP 152 149 LEU 153 150 LEU 154 151 ASP 155 152 ASP 156 153 LEU 157 154 GLU 158 155 LYS 159 156 THR 160 157 LEU 161 158 ASP 162 159 LYS 163 160 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 BMRB 19219 a_proteasome_subunit 98.16 401 100.00 100.00 2.61e-104 PDB 2MQW "Solution Structure Of A Proteasome Related Subunit N Terminal Domain" 100.00 163 100.00 100.00 1.05e-109 PDB 2MR3 "A Subunit Of 26s Proteasome Lid Complex" 98.16 356 100.00 100.00 6.57e-105 PDB 4CR2 "Deep Classification Of A Large Cryo-em Dataset Defines The Conformational Landscape Of The 26s Proteasome" 98.16 393 100.00 100.00 1.28e-104 PDB 4CR3 "Deep Classification Of A Large Cryo-em Dataset Defines The Conformational Landscape Of The 26s Proteasome" 98.16 393 100.00 100.00 1.28e-104 PDB 4CR4 "Deep Classification Of A Large Cryo-em Dataset Defines The Conformational Landscape Of The 26s Proteasome" 98.16 393 100.00 100.00 1.28e-104 PDB 5A5B "Structure Of The 26s Proteasome-ubp6 Complex" 98.16 393 100.00 100.00 1.28e-104 DBJ GAA22644 "K7_Rpn9p [Saccharomyces cerevisiae Kyokai no. 7]" 98.16 393 99.38 100.00 1.03e-103 EMBL CAY78927 "Rpn9p [Saccharomyces cerevisiae EC1118]" 98.16 393 99.38 100.00 1.03e-103 GB AAB64853 "Ydr427wp [Saccharomyces cerevisiae]" 98.16 393 100.00 100.00 1.28e-104 GB AHY75380 "Rpn9p [Saccharomyces cerevisiae YJM993]" 98.16 393 100.00 100.00 1.28e-104 GB AJP38106 "Rpn9p [Saccharomyces cerevisiae YJM1078]" 98.16 393 99.38 100.00 2.83e-104 GB AJU58228 "Rpn9p [Saccharomyces cerevisiae YJM189]" 98.16 393 100.00 100.00 1.28e-104 GB AJU58921 "Rpn9p [Saccharomyces cerevisiae YJM193]" 98.16 393 100.00 100.00 1.38e-104 REF NP_010715 "proteasome regulatory particle lid subunit RPN9 [Saccharomyces cerevisiae S288c]" 98.16 393 100.00 100.00 1.28e-104 SP Q04062 "RecName: Full=26S proteasome regulatory subunit RPN9; AltName: Full=Proteasome non-ATPase subunit 7" 98.16 393 100.00 100.00 1.28e-104 TPG DAA12266 "TPA: proteasome regulatory particle lid subunit RPN9 [Saccharomyces cerevisiae S288c]" 98.16 393 100.00 100.00 1.28e-104 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $entity 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DSS 0.03 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _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 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.21 . M pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'proteasome related subunit N terminal domain' _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 4 MET H H 8.285 0.02 1 2 1 4 MET HA H 4.371 0.02 1 3 1 4 MET HB2 H 1.844 0.02 2 4 1 4 MET HB3 H 1.906 0.02 2 5 1 4 MET HG2 H 2.323 0.02 2 6 1 4 MET HG3 H 2.401 0.02 2 7 1 4 MET HE H 2.033 0.02 1 8 1 4 MET C C 175.625 0.2 1 9 1 4 MET CA C 55.460 0.2 1 10 1 4 MET CB C 32.970 0.2 1 11 1 4 MET CG C 31.860 0.2 1 12 1 4 MET CE C 16.900 0.2 1 13 1 4 MET N N 121.530 0.2 1 14 2 5 PHE H H 8.310 0.02 1 15 2 5 PHE HA H 4.669 0.02 1 16 2 5 PHE HB2 H 3.180 0.02 2 17 2 5 PHE HB3 H 2.987 0.02 2 18 2 5 PHE HD1 H 7.264 0.02 3 19 2 5 PHE HE1 H 7.338 0.02 3 20 2 5 PHE C C 175.375 0.2 1 21 2 5 PHE CA C 57.420 0.2 1 22 2 5 PHE CB C 39.560 0.2 1 23 2 5 PHE CD1 C 131.990 0.2 3 24 2 5 PHE CE1 C 132.010 0.2 3 25 2 5 PHE N N 120.860 0.2 1 26 3 6 ASN H H 8.600 0.02 1 27 3 6 ASN HA H 4.660 0.02 1 28 3 6 ASN HB2 H 2.788 0.02 2 29 3 6 ASN HB3 H 2.840 0.02 2 30 3 6 ASN HD21 H 7.669 0.02 2 31 3 6 ASN HD22 H 6.954 0.02 2 32 3 6 ASN C C 174.878 0.2 1 33 3 6 ASN CA C 53.830 0.2 1 34 3 6 ASN CB C 39.494 0.2 1 35 3 6 ASN N N 120.218 0.2 1 36 3 6 ASN ND2 N 112.944 0.2 1 37 4 7 ASN H H 8.509 0.02 1 38 4 7 ASN HA H 4.661 0.02 1 39 4 7 ASN HB2 H 2.910 0.02 2 40 4 7 ASN HB3 H 2.815 0.02 2 41 4 7 ASN HD21 H 7.638 0.02 2 42 4 7 ASN HD22 H 6.928 0.02 2 43 4 7 ASN C C 175.395 0.2 1 44 4 7 ASN CA C 54.060 0.2 1 45 4 7 ASN CB C 38.590 0.2 1 46 4 7 ASN N N 119.180 0.2 1 47 4 7 ASN ND2 N 113.130 0.2 1 48 5 8 HIS H H 8.463 0.02 1 49 5 8 HIS HA H 4.605 0.02 1 50 5 8 HIS HB2 H 3.198 0.02 2 51 5 8 HIS HB3 H 3.263 0.02 2 52 5 8 HIS HD2 H 7.145 0.02 1 53 5 8 HIS C C 176.254 0.2 1 54 5 8 HIS CA C 57.540 0.2 1 55 5 8 HIS CB C 29.730 0.2 1 56 5 8 HIS CD2 C 119.880 0.2 1 57 5 8 HIS N N 119.307 0.2 1 58 6 9 GLU H H 8.416 0.02 1 59 6 9 GLU HA H 4.203 0.02 1 60 6 9 GLU HB3 H 2.156 0.02 2 61 6 9 GLU HG2 H 2.301 0.02 2 62 6 9 GLU HG3 H 2.354 0.02 2 63 6 9 GLU C C 178.146 0.2 1 64 6 9 GLU CA C 58.250 0.2 1 65 6 9 GLU CB C 29.800 0.2 1 66 6 9 GLU CG C 36.534 0.2 1 67 6 9 GLU N N 121.109 0.2 1 68 7 10 ILE H H 8.218 0.02 1 69 7 10 ILE HA H 3.883 0.02 1 70 7 10 ILE HB H 2.050 0.02 1 71 7 10 ILE HG12 H 1.375 0.02 2 72 7 10 ILE HG13 H 1.509 0.02 2 73 7 10 ILE HG2 H 0.794 0.02 1 74 7 10 ILE HD1 H 0.755 0.02 1 75 7 10 ILE C C 176.770 0.2 1 76 7 10 ILE CA C 62.600 0.2 1 77 7 10 ILE CB C 37.050 0.2 1 78 7 10 ILE CG1 C 28.100 0.2 1 79 7 10 ILE CG2 C 17.970 0.2 1 80 7 10 ILE CD1 C 11.709 0.2 1 81 7 10 ILE N N 119.745 0.2 1 82 8 11 ASP H H 8.415 0.02 1 83 8 11 ASP HA H 4.333 0.02 1 84 8 11 ASP HB3 H 2.762 0.02 2 85 8 11 ASP C C 178.870 0.2 1 86 8 11 ASP CA C 57.170 0.2 1 87 8 11 ASP CB C 40.700 0.2 1 88 8 11 ASP N N 120.081 0.2 1 89 9 12 THR H H 8.026 0.02 1 90 9 12 THR HA H 4.035 0.02 1 91 9 12 THR HB H 4.250 0.02 1 92 9 12 THR HG2 H 1.190 0.02 1 93 9 12 THR C C 176.620 0.2 1 94 9 12 THR CA C 65.760 0.2 1 95 9 12 THR CB C 68.760 0.2 1 96 9 12 THR CG2 C 21.630 0.2 1 97 9 12 THR N N 115.764 0.2 1 98 10 13 ILE H H 7.977 0.02 1 99 10 13 ILE HA H 3.836 0.02 1 100 10 13 ILE HB H 1.949 0.02 1 101 10 13 ILE HG12 H 1.599 0.02 2 102 10 13 ILE HG13 H 1.146 0.02 2 103 10 13 ILE HG2 H 0.830 0.02 1 104 10 13 ILE HD1 H 0.881 0.02 1 105 10 13 ILE C C 179.750 0.2 1 106 10 13 ILE CA C 63.730 0.2 1 107 10 13 ILE CB C 38.240 0.2 1 108 10 13 ILE CG1 C 29.160 0.2 1 109 10 13 ILE CG2 C 17.486 0.2 1 110 10 13 ILE CD1 C 13.690 0.2 1 111 10 13 ILE N N 123.792 0.2 1 112 11 14 LEU H H 8.301 0.02 1 113 11 14 LEU HA H 3.979 0.02 1 114 11 14 LEU HB2 H 1.382 0.02 2 115 11 14 LEU HB3 H 1.974 0.02 2 116 11 14 LEU HG H 1.519 0.02 1 117 11 14 LEU HD1 H 0.049 0.02 2 118 11 14 LEU HD2 H 0.597 0.02 2 119 11 14 LEU C C 178.950 0.2 1 120 11 14 LEU CA C 57.840 0.2 1 121 11 14 LEU CB C 41.360 0.2 1 122 11 14 LEU CG C 26.510 0.2 1 123 11 14 LEU CD1 C 21.461 0.2 2 124 11 14 LEU CD2 C 25.760 0.2 2 125 11 14 LEU N N 117.855 0.2 1 126 12 15 SER H H 8.304 0.02 1 127 12 15 SER HA H 3.935 0.02 1 128 12 15 SER HB3 H 3.897 0.02 2 129 12 15 SER C C 176.870 0.2 1 130 12 15 SER CA C 62.000 0.2 1 131 12 15 SER CB C 62.290 0.2 1 132 12 15 SER N N 114.650 0.2 1 133 13 16 THR H H 7.881 0.02 1 134 13 16 THR HA H 3.907 0.02 1 135 13 16 THR HB H 4.198 0.02 1 136 13 16 THR HG2 H 1.215 0.02 1 137 13 16 THR C C 176.600 0.2 1 138 13 16 THR CA C 66.290 0.2 1 139 13 16 THR CB C 68.950 0.2 1 140 13 16 THR CG2 C 21.340 0.2 1 141 13 16 THR N N 117.362 0.2 1 142 14 17 LEU H H 7.537 0.02 1 143 14 17 LEU HA H 4.216 0.02 1 144 14 17 LEU HB2 H 1.866 0.02 2 145 14 17 LEU HG H 1.683 0.02 1 146 14 17 LEU HD1 H 0.874 0.02 2 147 14 17 LEU HD2 H 0.863 0.02 2 148 14 17 LEU C C 177.610 0.2 1 149 14 17 LEU CA C 57.620 0.2 1 150 14 17 LEU CB C 41.830 0.2 1 151 14 17 LEU CG C 26.877 0.2 1 152 14 17 LEU CD1 C 22.860 0.2 2 153 14 17 LEU CD2 C 26.670 0.2 2 154 14 17 LEU N N 120.121 0.2 1 155 15 18 ARG H H 8.026 0.02 1 156 15 18 ARG HA H 2.303 0.02 1 157 15 18 ARG HB2 H 1.014 0.02 2 158 15 18 ARG HB3 H 1.366 0.02 2 159 15 18 ARG HG2 H 0.544 0.02 2 160 15 18 ARG HG3 H 0.712 0.02 2 161 15 18 ARG HD2 H 2.746 0.02 2 162 15 18 ARG HD3 H 2.663 0.02 2 163 15 18 ARG HE H 6.812 0.02 1 164 15 18 ARG C C 177.650 0.2 1 165 15 18 ARG CA C 59.050 0.2 1 166 15 18 ARG CB C 29.780 0.2 1 167 15 18 ARG CG C 26.620 0.2 1 168 15 18 ARG CD C 43.280 0.2 1 169 15 18 ARG N N 119.710 0.2 1 170 15 18 ARG NE N 83.930 0.2 1 171 16 19 MET H H 7.189 0.02 1 172 16 19 MET HA H 4.083 0.02 1 173 16 19 MET HB3 H 2.123 0.02 2 174 16 19 MET HG2 H 2.611 0.02 2 175 16 19 MET HG3 H 2.698 0.02 2 176 16 19 MET HE H 2.051 0.02 1 177 16 19 MET C C 177.880 0.2 1 178 16 19 MET CA C 57.670 0.2 1 179 16 19 MET CB C 32.250 0.2 1 180 16 19 MET CG C 32.010 0.2 1 181 16 19 MET CE C 16.623 0.2 1 182 16 19 MET N N 113.235 0.2 1 183 17 20 GLU H H 7.148 0.02 1 184 17 20 GLU HA H 4.289 0.02 1 185 17 20 GLU HB2 H 2.011 0.02 2 186 17 20 GLU HB3 H 2.161 0.02 2 187 17 20 GLU HG2 H 2.266 0.02 2 188 17 20 GLU HG3 H 2.395 0.02 2 189 17 20 GLU C C 176.330 0.2 1 190 17 20 GLU CA C 56.400 0.2 1 191 17 20 GLU CB C 31.660 0.2 1 192 17 20 GLU CG C 36.310 0.2 1 193 17 20 GLU N N 116.908 0.2 1 194 18 21 ALA H H 7.531 0.02 1 195 18 21 ALA HA H 4.318 0.02 1 196 18 21 ALA HB H 1.505 0.02 1 197 18 21 ALA C C 176.850 0.2 1 198 18 21 ALA CA C 51.490 0.2 1 199 18 21 ALA CB C 21.132 0.2 1 200 18 21 ALA N N 122.694 0.2 1 201 19 22 ASP H H 8.728 0.02 1 202 19 22 ASP HA H 4.662 0.02 1 203 19 22 ASP HB2 H 2.251 0.02 2 204 19 22 ASP HB3 H 2.736 0.02 2 205 19 22 ASP CA C 53.170 0.2 1 206 19 22 ASP CB C 43.650 0.2 1 207 19 22 ASP N N 123.564 0.2 1 208 20 23 PRO HA H 2.507 0.02 1 209 20 23 PRO HB2 H 1.775 0.02 2 210 20 23 PRO HB3 H 2.069 0.02 2 211 20 23 PRO HG2 H 1.851 0.02 2 212 20 23 PRO HG3 H 2.008 0.02 2 213 20 23 PRO HD2 H 3.553 0.02 2 214 20 23 PRO HD3 H 3.858 0.02 2 215 20 23 PRO C C 178.873 0.2 1 216 20 23 PRO CA C 64.314 0.2 1 217 20 23 PRO CB C 31.850 0.2 1 218 20 23 PRO CG C 27.607 0.2 1 219 20 23 PRO CD C 51.180 0.2 1 220 21 24 SER H H 8.673 0.02 1 221 21 24 SER HA H 4.132 0.02 1 222 21 24 SER HB3 H 3.887 0.02 2 223 21 24 SER C C 176.140 0.2 1 224 21 24 SER CA C 61.561 0.2 1 225 21 24 SER CB C 62.602 0.2 1 226 21 24 SER N N 115.315 0.2 1 227 22 25 LEU H H 8.408 0.02 1 228 22 25 LEU HA H 4.592 0.02 1 229 22 25 LEU HB2 H 1.786 0.02 2 230 22 25 LEU HB3 H 2.201 0.02 2 231 22 25 LEU HG H 1.654 0.02 1 232 22 25 LEU HD1 H 0.719 0.02 2 233 22 25 LEU HD2 H 0.758 0.02 2 234 22 25 LEU C C 178.530 0.2 1 235 22 25 LEU CA C 54.410 0.2 1 236 22 25 LEU CB C 42.960 0.2 1 237 22 25 LEU CG C 27.110 0.2 1 238 22 25 LEU CD1 C 26.220 0.2 2 239 22 25 LEU CD2 C 22.568 0.2 2 240 22 25 LEU N N 118.660 0.2 1 241 23 26 HIS H H 7.945 0.02 1 242 23 26 HIS HA H 4.571 0.02 1 243 23 26 HIS HB2 H 3.138 0.02 2 244 23 26 HIS HB3 H 3.452 0.02 2 245 23 26 HIS HD2 H 6.422 0.02 1 246 23 26 HIS CA C 61.010 0.2 1 247 23 26 HIS CB C 28.960 0.2 1 248 23 26 HIS CD2 C 114.880 0.2 1 249 23 26 HIS N N 121.418 0.2 1 250 24 27 PRO HA H 4.360 0.02 1 251 24 27 PRO HB2 H 1.752 0.02 2 252 24 27 PRO HB3 H 2.415 0.02 2 253 24 27 PRO HG2 H 2.103 0.02 2 254 24 27 PRO HG3 H 2.013 0.02 2 255 24 27 PRO HD2 H 3.582 0.02 2 256 24 27 PRO HD3 H 3.785 0.02 2 257 24 27 PRO C C 179.200 0.2 1 258 24 27 PRO CA C 66.250 0.2 1 259 24 27 PRO CB C 31.370 0.2 1 260 24 27 PRO CG C 28.590 0.2 1 261 24 27 PRO CD C 51.080 0.2 1 262 25 28 LEU H H 7.201 0.02 1 263 25 28 LEU HA H 3.683 0.02 1 264 25 28 LEU HB2 H 0.774 0.02 2 265 25 28 LEU HB3 H 1.772 0.02 2 266 25 28 LEU HG H 1.759 0.02 1 267 25 28 LEU HD1 H 0.943 0.02 2 268 25 28 LEU HD2 H 1.070 0.02 2 269 25 28 LEU C C 177.400 0.2 1 270 25 28 LEU CA C 57.151 0.2 1 271 25 28 LEU CB C 40.740 0.2 1 272 25 28 LEU CG C 26.980 0.2 1 273 25 28 LEU CD1 C 22.480 0.2 2 274 25 28 LEU CD2 C 26.730 0.2 2 275 25 28 LEU N N 114.512 0.2 1 276 26 29 PHE H H 7.249 0.02 1 277 26 29 PHE HA H 3.379 0.02 1 278 26 29 PHE HB2 H 2.974 0.02 2 279 26 29 PHE HB3 H 3.048 0.02 2 280 26 29 PHE HD1 H 6.545 0.02 3 281 26 29 PHE HE1 H 5.926 0.02 3 282 26 29 PHE HZ H 6.103 0.02 1 283 26 29 PHE C C 178.470 0.2 1 284 26 29 PHE CA C 62.290 0.2 1 285 26 29 PHE CB C 38.503 0.2 1 286 26 29 PHE CD1 C 129.157 0.2 3 287 26 29 PHE CE1 C 130.296 0.2 3 288 26 29 PHE CZ C 128.317 0.2 1 289 26 29 PHE N N 115.083 0.2 1 290 27 30 GLU H H 7.303 0.02 1 291 27 30 GLU HA H 4.000 0.02 1 292 27 30 GLU HB2 H 2.005 0.02 2 293 27 30 GLU HB3 H 2.081 0.02 2 294 27 30 GLU HG2 H 2.125 0.02 2 295 27 30 GLU HG3 H 2.296 0.02 2 296 27 30 GLU C C 179.180 0.2 1 297 27 30 GLU CA C 59.310 0.2 1 298 27 30 GLU CB C 29.160 0.2 1 299 27 30 GLU CG C 36.354 0.2 1 300 27 30 GLU N N 119.115 0.2 1 301 28 31 GLN H H 7.099 0.02 1 302 28 31 GLN HA H 3.273 0.02 1 303 28 31 GLN HB2 H 2.108 0.02 2 304 28 31 GLN HG2 H 2.123 0.02 2 305 28 31 GLN HG3 H 2.460 0.02 2 306 28 31 GLN HE21 H 6.800 0.02 2 307 28 31 GLN HE22 H 7.285 0.02 2 308 28 31 GLN C C 177.270 0.2 1 309 28 31 GLN CA C 58.750 0.2 1 310 28 31 GLN CB C 26.840 0.2 1 311 28 31 GLN CG C 33.900 0.2 1 312 28 31 GLN N N 119.304 0.2 1 313 28 31 GLN NE2 N 110.911 0.2 1 314 29 32 PHE H H 8.522 0.02 1 315 29 32 PHE HA H 4.515 0.02 1 316 29 32 PHE HB2 H 3.040 0.02 2 317 29 32 PHE HB3 H 3.137 0.02 2 318 29 32 PHE HD1 H 7.020 0.02 3 319 29 32 PHE C C 177.500 0.2 1 320 29 32 PHE CA C 56.550 0.2 1 321 29 32 PHE CB C 37.650 0.2 1 322 29 32 PHE CD1 C 130.490 0.2 3 323 29 32 PHE N N 117.236 0.2 1 324 30 33 GLU H H 7.331 0.02 1 325 30 33 GLU HA H 3.832 0.02 1 326 30 33 GLU HB3 H 2.027 0.02 2 327 30 33 GLU HG2 H 2.185 0.02 2 328 30 33 GLU HG3 H 2.365 0.02 2 329 30 33 GLU C C 177.860 0.2 1 330 30 33 GLU CA C 59.610 0.2 1 331 30 33 GLU CB C 30.210 0.2 1 332 30 33 GLU CG C 36.100 0.2 1 333 30 33 GLU N N 115.350 0.2 1 334 31 34 LYS H H 7.571 0.02 1 335 31 34 LYS HA H 4.066 0.02 1 336 31 34 LYS HB2 H 1.323 0.02 2 337 31 34 LYS HB3 H 1.656 0.02 2 338 31 34 LYS HG2 H 1.054 0.02 2 339 31 34 LYS HG3 H 1.341 0.02 2 340 31 34 LYS HD2 H 1.507 0.02 2 341 31 34 LYS HD3 H 1.377 0.02 2 342 31 34 LYS HE2 H 2.821 0.02 2 343 31 34 LYS HE3 H 2.893 0.02 2 344 31 34 LYS C C 178.590 0.2 1 345 31 34 LYS CA C 58.790 0.2 1 346 31 34 LYS CB C 32.670 0.2 1 347 31 34 LYS CG C 24.580 0.2 1 348 31 34 LYS CD C 28.920 0.2 1 349 31 34 LYS CE C 41.820 0.2 1 350 31 34 LYS N N 118.781 0.2 1 351 32 35 PHE H H 8.930 0.02 1 352 32 35 PHE HA H 4.549 0.02 1 353 32 35 PHE HB2 H 2.763 0.02 2 354 32 35 PHE HB3 H 2.866 0.02 2 355 32 35 PHE HD1 H 7.285 0.02 3 356 32 35 PHE HE1 H 7.082 0.02 3 357 32 35 PHE C C 178.050 0.2 1 358 32 35 PHE CA C 58.010 0.2 1 359 32 35 PHE CB C 38.170 0.2 1 360 32 35 PHE CD1 C 131.870 0.2 3 361 32 35 PHE CE1 C 130.720 0.2 3 362 32 35 PHE N N 115.669 0.2 1 363 33 36 TYR H H 8.079 0.02 1 364 33 36 TYR HA H 3.809 0.02 1 365 33 36 TYR HB2 H 3.323 0.02 2 366 33 36 TYR HB3 H 3.185 0.02 2 367 33 36 TYR HD1 H 6.970 0.02 3 368 33 36 TYR HE1 H 6.927 0.02 3 369 33 36 TYR C C 178.300 0.2 1 370 33 36 TYR CA C 61.920 0.2 1 371 33 36 TYR CB C 38.700 0.2 1 372 33 36 TYR CD1 C 133.220 0.2 3 373 33 36 TYR CE1 C 118.157 0.2 3 374 33 36 TYR N N 118.327 0.2 1 375 34 37 GLU H H 8.034 0.02 1 376 34 37 GLU HA H 3.822 0.02 1 377 34 37 GLU HB2 H 2.138 0.02 2 378 34 37 GLU HB3 H 2.272 0.02 2 379 34 37 GLU HG3 H 2.396 0.02 2 380 34 37 GLU C C 178.400 0.2 1 381 34 37 GLU CA C 59.640 0.2 1 382 34 37 GLU CB C 29.035 0.2 1 383 34 37 GLU CG C 36.110 0.2 1 384 34 37 GLU N N 121.381 0.2 1 385 35 38 GLU H H 7.775 0.02 1 386 35 38 GLU HA H 4.099 0.02 1 387 35 38 GLU HB2 H 2.205 0.02 2 388 35 38 GLU HB3 H 1.744 0.02 2 389 35 38 GLU HG2 H 2.485 0.02 2 390 35 38 GLU HG3 H 2.236 0.02 2 391 35 38 GLU C C 174.250 0.2 1 392 35 38 GLU CA C 56.050 0.2 1 393 35 38 GLU CB C 30.290 0.2 1 394 35 38 GLU CG C 36.980 0.2 1 395 35 38 GLU N N 114.457 0.2 1 396 36 39 LYS H H 7.211 0.02 1 397 36 39 LYS HA H 1.932 0.02 1 398 36 39 LYS HB3 H 1.881 0.02 2 399 36 39 LYS HG2 H 1.152 0.02 2 400 36 39 LYS HG3 H 1.467 0.02 2 401 36 39 LYS HD3 H 1.655 0.02 2 402 36 39 LYS HE3 H 2.980 0.02 2 403 36 39 LYS C C 174.800 0.2 1 404 36 39 LYS CA C 55.810 0.2 1 405 36 39 LYS CB C 32.640 0.2 1 406 36 39 LYS CG C 24.784 0.2 1 407 36 39 LYS CD C 29.088 0.2 1 408 36 39 LYS CE C 42.208 0.2 1 409 36 39 LYS N N 116.469 0.2 1 410 37 40 LEU H H 7.888 0.02 1 411 37 40 LEU HA H 4.378 0.02 1 412 37 40 LEU HB3 H 1.451 0.02 2 413 37 40 LEU HG H 1.767 0.02 1 414 37 40 LEU HD1 H 0.775 0.02 2 415 37 40 LEU HD2 H 0.965 0.02 2 416 37 40 LEU C C 177.040 0.2 1 417 37 40 LEU CA C 51.720 0.2 1 418 37 40 LEU CB C 39.610 0.2 1 419 37 40 LEU CG C 27.160 0.2 1 420 37 40 LEU CD1 C 22.758 0.2 2 421 37 40 LEU CD2 C 26.180 0.2 2 422 37 40 LEU N N 120.632 0.2 1 423 38 41 TRP H H 6.682 0.02 1 424 38 41 TRP HA H 4.300 0.02 1 425 38 41 TRP HB2 H 3.387 0.02 2 426 38 41 TRP HB3 H 3.075 0.02 2 427 38 41 TRP HD1 H 7.405 0.02 1 428 38 41 TRP HE1 H 10.388 0.02 1 429 38 41 TRP HE3 H 7.018 0.02 1 430 38 41 TRP HZ2 H 7.331 0.02 1 431 38 41 TRP HZ3 H 6.130 0.02 1 432 38 41 TRP HH2 H 6.851 0.02 1 433 38 41 TRP C C 178.610 0.2 1 434 38 41 TRP CA C 59.180 0.2 1 435 38 41 TRP CB C 30.350 0.2 1 436 38 41 TRP CD1 C 128.712 0.2 1 437 38 41 TRP CE3 C 119.760 0.2 1 438 38 41 TRP CZ2 C 114.270 0.2 1 439 38 41 TRP CZ3 C 121.487 0.2 1 440 38 41 TRP CH2 C 124.591 0.2 1 441 38 41 TRP N N 120.793 0.2 1 442 38 41 TRP NE1 N 129.270 0.2 1 443 39 42 PHE H H 8.994 0.02 1 444 39 42 PHE HA H 4.346 0.02 1 445 39 42 PHE HB2 H 3.020 0.02 2 446 39 42 PHE HB3 H 3.326 0.02 2 447 39 42 PHE HD1 H 7.201 0.02 3 448 39 42 PHE HE1 H 7.339 0.02 3 449 39 42 PHE C C 178.660 0.2 1 450 39 42 PHE CA C 61.920 0.2 1 451 39 42 PHE CB C 38.090 0.2 1 452 39 42 PHE CD1 C 131.471 0.2 3 453 39 42 PHE CE1 C 131.739 0.2 3 454 39 42 PHE N N 120.261 0.2 1 455 40 43 GLN H H 8.455 0.02 1 456 40 43 GLN HA H 3.660 0.02 1 457 40 43 GLN HB2 H 1.069 0.02 2 458 40 43 GLN HB3 H 0.440 0.02 2 459 40 43 GLN HG2 H 2.159 0.02 2 460 40 43 GLN HG3 H 2.209 0.02 2 461 40 43 GLN HE21 H 6.895 0.02 2 462 40 43 GLN HE22 H 7.485 0.02 2 463 40 43 GLN C C 178.620 0.2 1 464 40 43 GLN CA C 59.880 0.2 1 465 40 43 GLN CB C 25.511 0.2 1 466 40 43 GLN CG C 35.260 0.2 1 467 40 43 GLN N N 122.518 0.2 1 468 40 43 GLN NE2 N 112.054 0.2 1 469 41 44 LEU H H 8.560 0.02 1 470 41 44 LEU HA H 4.354 0.02 1 471 41 44 LEU HB2 H 2.198 0.02 2 472 41 44 LEU HB3 H 1.442 0.02 2 473 41 44 LEU HG H 1.675 0.02 1 474 41 44 LEU HD1 H 1.375 0.02 2 475 41 44 LEU HD2 H 0.553 0.02 2 476 41 44 LEU C C 178.570 0.2 1 477 41 44 LEU CA C 58.200 0.2 1 478 41 44 LEU CB C 41.620 0.2 1 479 41 44 LEU CG C 26.820 0.2 1 480 41 44 LEU CD1 C 24.500 0.2 2 481 41 44 LEU CD2 C 26.820 0.2 2 482 41 44 LEU N N 119.549 0.2 1 483 42 45 SER H H 8.538 0.02 1 484 42 45 SER HA H 4.554 0.02 1 485 42 45 SER HB2 H 4.275 0.02 2 486 42 45 SER HB3 H 4.218 0.02 2 487 42 45 SER C C 176.160 0.2 1 488 42 45 SER CA C 61.680 0.2 1 489 42 45 SER CB C 62.800 0.2 1 490 42 45 SER N N 115.395 0.2 1 491 43 46 GLU H H 7.823 0.02 1 492 43 46 GLU HA H 4.152 0.02 1 493 43 46 GLU HB2 H 2.026 0.02 2 494 43 46 GLU HB3 H 2.244 0.02 2 495 43 46 GLU HG2 H 2.051 0.02 2 496 43 46 GLU HG3 H 1.808 0.02 2 497 43 46 GLU C C 177.360 0.2 1 498 43 46 GLU CA C 60.190 0.2 1 499 43 46 GLU CB C 29.750 0.2 1 500 43 46 GLU CG C 37.040 0.2 1 501 43 46 GLU N N 124.101 0.2 1 502 44 47 SER H H 8.275 0.02 1 503 44 47 SER HA H 4.373 0.02 1 504 44 47 SER HB3 H 4.255 0.02 2 505 44 47 SER HG H 5.505 0.02 1 506 44 47 SER C C 176.600 0.2 1 507 44 47 SER CA C 63.680 0.2 1 508 44 47 SER CB C 63.200 0.2 1 509 44 47 SER N N 118.030 0.2 1 510 45 48 LEU H H 8.931 0.02 1 511 45 48 LEU HA H 4.005 0.02 1 512 45 48 LEU HB3 H 2.385 0.02 2 513 45 48 LEU HG H 1.783 0.02 1 514 45 48 LEU HD1 H 0.205 0.02 2 515 45 48 LEU HD2 H 0.992 0.02 2 516 45 48 LEU C C 178.640 0.2 1 517 45 48 LEU CA C 58.240 0.2 1 518 45 48 LEU CB C 40.420 0.2 1 519 45 48 LEU CG C 26.710 0.2 1 520 45 48 LEU CD1 C 23.978 0.2 2 521 45 48 LEU CD2 C 27.503 0.2 2 522 45 48 LEU N N 122.600 0.2 1 523 46 49 THR H H 8.965 0.02 1 524 46 49 THR HA H 4.269 0.02 1 525 46 49 THR HB H 4.562 0.02 1 526 46 49 THR HG2 H 1.385 0.02 1 527 46 49 THR C C 175.550 0.2 1 528 46 49 THR CA C 67.630 0.2 1 529 46 49 THR CB C 69.180 0.2 1 530 46 49 THR CG2 C 22.450 0.2 1 531 46 49 THR N N 119.400 0.2 1 532 47 50 LYS H H 7.570 0.02 1 533 47 50 LYS HA H 4.148 0.02 1 534 47 50 LYS HB2 H 2.027 0.02 2 535 47 50 LYS HB3 H 2.179 0.02 2 536 47 50 LYS HG2 H 1.578 0.02 2 537 47 50 LYS HG3 H 1.760 0.02 2 538 47 50 LYS HD2 H 1.765 0.02 2 539 47 50 LYS HD3 H 1.832 0.02 2 540 47 50 LYS HE3 H 3.024 0.02 2 541 47 50 LYS C C 179.140 0.2 1 542 47 50 LYS CA C 59.600 0.2 1 543 47 50 LYS CB C 32.380 0.2 1 544 47 50 LYS CG C 25.770 0.2 1 545 47 50 LYS CD C 29.450 0.2 1 546 47 50 LYS CE C 42.606 0.2 1 547 47 50 LYS N N 119.092 0.2 1 548 48 51 PHE H H 8.078 0.02 1 549 48 51 PHE HA H 3.895 0.02 1 550 48 51 PHE HB2 H 3.480 0.02 2 551 48 51 PHE HB3 H 3.179 0.02 2 552 48 51 PHE HD1 H 7.173 0.02 3 553 48 51 PHE HE1 H 6.332 0.02 3 554 48 51 PHE C C 177.500 0.2 1 555 48 51 PHE CA C 62.250 0.2 1 556 48 51 PHE CB C 40.060 0.2 1 557 48 51 PHE CD1 C 133.057 0.2 3 558 48 51 PHE N N 118.804 0.2 1 559 49 52 PHE H H 9.302 0.02 1 560 49 52 PHE HA H 3.800 0.02 1 561 49 52 PHE HB3 H 3.158 0.02 2 562 49 52 PHE HD1 H 7.179 0.02 3 563 49 52 PHE C C 174.500 0.2 1 564 49 52 PHE CA C 63.160 0.2 1 565 49 52 PHE CB C 38.850 0.2 1 566 49 52 PHE CD1 C 133.060 0.2 3 567 49 52 PHE N N 118.774 0.2 1 568 50 53 ASP H H 7.704 0.02 1 569 50 53 ASP HA H 4.754 0.02 1 570 50 53 ASP HB2 H 2.689 0.02 2 571 50 53 ASP HB3 H 2.788 0.02 2 572 50 53 ASP C C 176.390 0.2 1 573 50 53 ASP CA C 54.540 0.2 1 574 50 53 ASP CB C 41.590 0.2 1 575 50 53 ASP N N 115.369 0.2 1 576 51 54 ASP H H 7.152 0.02 1 577 51 54 ASP HA H 4.495 0.02 1 578 51 54 ASP HB2 H 2.570 0.02 2 579 51 54 ASP HB3 H 2.693 0.02 2 580 51 54 ASP C C 178.340 0.2 1 581 51 54 ASP CA C 54.170 0.2 1 582 51 54 ASP CB C 42.800 0.2 1 583 51 54 ASP N N 122.112 0.2 1 584 52 55 ALA H H 9.237 0.02 1 585 52 55 ALA HA H 3.983 0.02 1 586 52 55 ALA HB H 1.501 0.02 1 587 52 55 ALA C C 180.230 0.2 1 588 52 55 ALA CA C 55.320 0.2 1 589 52 55 ALA CB C 18.849 0.2 1 590 52 55 ALA N N 132.490 0.2 1 591 53 56 LYS H H 9.529 0.02 1 592 53 56 LYS HA H 4.198 0.02 1 593 53 56 LYS HB2 H 1.647 0.02 2 594 53 56 LYS HB3 H 1.731 0.02 2 595 53 56 LYS HG2 H 1.443 0.02 2 596 53 56 LYS HG3 H 1.552 0.02 2 597 53 56 LYS HD3 H 1.570 0.02 2 598 53 56 LYS HE3 H 2.994 0.02 2 599 53 56 LYS C C 178.610 0.2 1 600 53 56 LYS CA C 57.516 0.2 1 601 53 56 LYS CB C 32.541 0.2 1 602 53 56 LYS CG C 25.770 0.2 1 603 53 56 LYS CD C 29.010 0.2 1 604 53 56 LYS CE C 43.340 0.2 1 605 53 56 LYS N N 115.706 0.2 1 606 54 57 SER H H 8.475 0.02 1 607 54 57 SER HA H 3.820 0.02 1 608 54 57 SER HB2 H 2.868 0.02 2 609 54 57 SER HB3 H 2.678 0.02 2 610 54 57 SER HG H 5.117 0.02 1 611 54 57 SER C C 175.130 0.2 1 612 54 57 SER CA C 58.380 0.2 1 613 54 57 SER CB C 63.740 0.2 1 614 54 57 SER N N 113.307 0.2 1 615 55 58 THR H H 7.345 0.02 1 616 55 58 THR HA H 3.570 0.02 1 617 55 58 THR HB H 4.352 0.02 1 618 55 58 THR HG2 H 1.276 0.02 1 619 55 58 THR CA C 70.110 0.2 1 620 55 58 THR CB C 66.730 0.2 1 621 55 58 THR CG2 C 21.710 0.2 1 622 55 58 THR N N 117.143 0.2 1 623 56 59 PRO HA H 4.685 0.02 1 624 56 59 PRO HB2 H 1.963 0.02 2 625 56 59 PRO HB3 H 2.463 0.02 2 626 56 59 PRO HG2 H 2.111 0.02 2 627 56 59 PRO HG3 H 1.935 0.02 2 628 56 59 PRO HD2 H 3.521 0.02 2 629 56 59 PRO HD3 H 3.734 0.02 2 630 56 59 PRO C C 177.270 0.2 1 631 56 59 PRO CA C 65.560 0.2 1 632 56 59 PRO CB C 31.554 0.2 1 633 56 59 PRO CG C 27.890 0.2 1 634 56 59 PRO CD C 50.120 0.2 1 635 57 60 LEU H H 8.410 0.02 1 636 57 60 LEU HA H 4.528 0.02 1 637 57 60 LEU HB2 H 2.091 0.02 2 638 57 60 LEU HB3 H 1.942 0.02 2 639 57 60 LEU HG H 1.760 0.02 1 640 57 60 LEU HD1 H 1.150 0.02 2 641 57 60 LEU HD2 H 0.948 0.02 2 642 57 60 LEU C C 176.870 0.2 1 643 57 60 LEU CA C 54.527 0.2 1 644 57 60 LEU CB C 44.870 0.2 1 645 57 60 LEU CG C 27.610 0.2 1 646 57 60 LEU CD1 C 26.950 0.2 2 647 57 60 LEU CD2 C 23.717 0.2 2 648 57 60 LEU N N 116.602 0.2 1 649 58 61 ARG H H 7.307 0.02 1 650 58 61 ARG HA H 3.816 0.02 1 651 58 61 ARG HB2 H 2.132 0.02 2 652 58 61 ARG HB3 H 1.952 0.02 2 653 58 61 ARG HG3 H 1.369 0.02 2 654 58 61 ARG HD2 H 2.870 0.02 2 655 58 61 ARG HD3 H 2.937 0.02 2 656 58 61 ARG C C 176.710 0.2 1 657 58 61 ARG CA C 62.480 0.2 1 658 58 61 ARG CB C 30.985 0.2 1 659 58 61 ARG CG C 28.010 0.2 1 660 58 61 ARG CD C 42.010 0.2 1 661 58 61 ARG N N 117.730 0.2 1 662 59 62 LEU H H 8.927 0.02 1 663 59 62 LEU HA H 4.217 0.02 1 664 59 62 LEU HB2 H 1.501 0.02 2 665 59 62 LEU HB3 H 1.827 0.02 2 666 59 62 LEU HG H 1.623 0.02 1 667 59 62 LEU HD1 H 0.608 0.02 2 668 59 62 LEU HD2 H 0.422 0.02 2 669 59 62 LEU C C 178.830 0.2 1 670 59 62 LEU CA C 58.230 0.2 1 671 59 62 LEU CB C 41.360 0.2 1 672 59 62 LEU CG C 26.800 0.2 1 673 59 62 LEU CD1 C 24.707 0.2 2 674 59 62 LEU CD2 C 22.990 0.2 2 675 59 62 LEU N N 119.360 0.2 1 676 60 63 ARG H H 8.298 0.02 1 677 60 63 ARG HA H 4.271 0.02 1 678 60 63 ARG HB3 H 1.859 0.02 2 679 60 63 ARG HG3 H 1.882 0.02 2 680 60 63 ARG HD2 H 3.288 0.02 2 681 60 63 ARG HD3 H 3.174 0.02 2 682 60 63 ARG HE H 7.314 0.02 1 683 60 63 ARG C C 179.900 0.2 1 684 60 63 ARG CA C 59.480 0.2 1 685 60 63 ARG CB C 30.650 0.2 1 686 60 63 ARG CG C 27.840 0.2 1 687 60 63 ARG CD C 43.720 0.2 1 688 60 63 ARG N N 117.051 0.2 1 689 60 63 ARG NE N 82.772 0.2 1 690 61 64 LEU H H 8.416 0.02 1 691 61 64 LEU HA H 3.980 0.02 1 692 61 64 LEU HB2 H 1.384 0.02 2 693 61 64 LEU HB3 H 1.993 0.02 2 694 61 64 LEU HG H 1.548 0.02 1 695 61 64 LEU HD1 H -0.195 0.02 2 696 61 64 LEU HD2 H 0.388 0.02 2 697 61 64 LEU C C 180.120 0.2 1 698 61 64 LEU CA C 58.330 0.2 1 699 61 64 LEU CB C 41.640 0.2 1 700 61 64 LEU CG C 27.332 0.2 1 701 61 64 LEU CD1 C 26.538 0.2 2 702 61 64 LEU CD2 C 24.469 0.2 2 703 61 64 LEU N N 121.560 0.2 1 704 62 65 TYR H H 9.475 0.02 1 705 62 65 TYR HA H 3.949 0.02 1 706 62 65 TYR HB2 H 3.472 0.02 2 707 62 65 TYR HB3 H 3.090 0.02 2 708 62 65 TYR HD1 H 6.800 0.02 3 709 62 65 TYR HE1 H 6.792 0.02 3 710 62 65 TYR C C 176.620 0.2 1 711 62 65 TYR CA C 62.940 0.2 1 712 62 65 TYR CB C 38.540 0.2 1 713 62 65 TYR CD1 C 131.121 0.2 3 714 62 65 TYR CE1 C 119.020 0.2 3 715 62 65 TYR N N 123.523 0.2 1 716 63 66 ASP H H 9.316 0.02 1 717 63 66 ASP HA H 4.371 0.02 1 718 63 66 ASP HB2 H 2.838 0.02 2 719 63 66 ASP HB3 H 2.620 0.02 2 720 63 66 ASP C C 178.850 0.2 1 721 63 66 ASP CA C 57.250 0.2 1 722 63 66 ASP CB C 41.830 0.2 1 723 63 66 ASP N N 118.115 0.2 1 724 64 67 ASN H H 8.247 0.02 1 725 64 67 ASN HA H 4.740 0.02 1 726 64 67 ASN HB2 H 2.668 0.02 2 727 64 67 ASN HB3 H 2.734 0.02 2 728 64 67 ASN HD21 H 7.513 0.02 2 729 64 67 ASN HD22 H 7.664 0.02 2 730 64 67 ASN C C 173.600 0.2 1 731 64 67 ASN CA C 54.390 0.2 1 732 64 67 ASN CB C 40.582 0.2 1 733 64 67 ASN N N 112.269 0.2 1 734 64 67 ASN ND2 N 113.529 0.2 1 735 65 68 PHE H H 7.862 0.02 1 736 65 68 PHE HA H 4.951 0.02 1 737 65 68 PHE HB2 H 2.630 0.02 2 738 65 68 PHE HB3 H 3.352 0.02 2 739 65 68 PHE HD1 H 6.808 0.02 3 740 65 68 PHE C C 173.620 0.2 1 741 65 68 PHE CA C 58.411 0.2 1 742 65 68 PHE CB C 41.930 0.2 1 743 65 68 PHE CD1 C 130.791 0.2 3 744 65 68 PHE N N 117.496 0.2 1 745 66 69 VAL H H 7.831 0.02 1 746 66 69 VAL HA H 2.413 0.02 1 747 66 69 VAL HB H 2.152 0.02 1 748 66 69 VAL HG1 H 0.731 0.02 2 749 66 69 VAL HG2 H 0.992 0.02 2 750 66 69 VAL C C 176.390 0.2 1 751 66 69 VAL CA C 65.490 0.2 1 752 66 69 VAL CB C 30.340 0.2 1 753 66 69 VAL CG1 C 21.140 0.2 2 754 66 69 VAL CG2 C 23.290 0.2 2 755 66 69 VAL N N 117.620 0.2 1 756 67 70 SER H H 7.379 0.02 1 757 67 70 SER HA H 3.415 0.02 1 758 67 70 SER HB2 H 3.667 0.02 2 759 67 70 SER HB3 H 3.584 0.02 2 760 67 70 SER C C 174.940 0.2 1 761 67 70 SER CA C 60.310 0.2 1 762 67 70 SER CB C 62.740 0.2 1 763 67 70 SER N N 110.222 0.2 1 764 68 71 LYS H H 7.125 0.02 1 765 68 71 LYS HA H 4.138 0.02 1 766 68 71 LYS HB2 H 1.901 0.02 2 767 68 71 LYS HB3 H 1.851 0.02 2 768 68 71 LYS HG2 H 1.260 0.02 2 769 68 71 LYS HG3 H 1.358 0.02 2 770 68 71 LYS HD2 H 1.572 0.02 2 771 68 71 LYS HD3 H 1.505 0.02 2 772 68 71 LYS HE3 H 2.924 0.02 2 773 68 71 LYS C C 177.590 0.2 1 774 68 71 LYS CA C 56.777 0.2 1 775 68 71 LYS CB C 31.650 0.2 1 776 68 71 LYS CG C 25.320 0.2 1 777 68 71 LYS CD C 28.170 0.2 1 778 68 71 LYS CE C 42.130 0.2 1 779 68 71 LYS N N 118.440 0.2 1 780 69 72 PHE H H 7.276 0.02 1 781 69 72 PHE HA H 4.838 0.02 1 782 69 72 PHE HB2 H 2.854 0.02 2 783 69 72 PHE HB3 H 2.647 0.02 2 784 69 72 PHE HD1 H 6.853 0.02 3 785 69 72 PHE HE1 H 6.003 0.02 3 786 69 72 PHE HZ H 6.373 0.02 1 787 69 72 PHE C C 175.910 0.2 1 788 69 72 PHE CA C 56.180 0.2 1 789 69 72 PHE CB C 37.750 0.2 1 790 69 72 PHE CD1 C 133.031 0.2 3 791 69 72 PHE CE1 C 130.850 0.2 3 792 69 72 PHE CZ C 128.840 0.2 1 793 69 72 PHE N N 113.589 0.2 1 794 70 73 TYR H H 7.055 0.02 1 795 70 73 TYR HA H 3.890 0.02 1 796 70 73 TYR HB2 H 2.850 0.02 2 797 70 73 TYR HB3 H 2.920 0.02 2 798 70 73 TYR HD1 H 6.916 0.02 3 799 70 73 TYR HE1 H 6.611 0.02 3 800 70 73 TYR C C 173.710 0.2 1 801 70 73 TYR CA C 60.020 0.2 1 802 70 73 TYR CB C 37.590 0.2 1 803 70 73 TYR CD1 C 132.584 0.2 3 804 70 73 TYR CE1 C 118.318 0.2 3 805 70 73 TYR N N 120.233 0.2 1 806 71 74 ASP H H 8.193 0.02 1 807 71 74 ASP HA H 4.046 0.02 1 808 71 74 ASP HB2 H 2.486 0.02 2 809 71 74 ASP HB3 H 1.834 0.02 2 810 71 74 ASP C C 176.500 0.2 1 811 71 74 ASP CA C 53.490 0.2 1 812 71 74 ASP CB C 39.930 0.2 1 813 71 74 ASP N N 115.241 0.2 1 814 72 75 LYS H H 7.737 0.02 1 815 72 75 LYS HA H 3.965 0.02 1 816 72 75 LYS HB2 H 0.587 0.02 2 817 72 75 LYS HB3 H 1.036 0.02 2 818 72 75 LYS HG2 H 0.803 0.02 2 819 72 75 LYS HG3 H 0.101 0.02 2 820 72 75 LYS HD2 H 0.650 0.02 2 821 72 75 LYS HD3 H 0.947 0.02 2 822 72 75 LYS HE2 H 2.689 0.02 2 823 72 75 LYS HE3 H 2.806 0.02 2 824 72 75 LYS C C 175.720 0.2 1 825 72 75 LYS CA C 54.580 0.2 1 826 72 75 LYS CB C 32.880 0.2 1 827 72 75 LYS CG C 23.550 0.2 1 828 72 75 LYS CD C 27.290 0.2 1 829 72 75 LYS CE C 41.980 0.2 1 830 72 75 LYS N N 117.453 0.2 1 831 73 76 ILE H H 6.776 0.02 1 832 73 76 ILE HA H 4.490 0.02 1 833 73 76 ILE HB H 1.933 0.02 1 834 73 76 ILE HG12 H 1.315 0.02 2 835 73 76 ILE HG13 H 1.449 0.02 2 836 73 76 ILE HG2 H 1.203 0.02 1 837 73 76 ILE HD1 H 1.009 0.02 1 838 73 76 ILE C C 174.170 0.2 1 839 73 76 ILE CA C 58.390 0.2 1 840 73 76 ILE CB C 40.700 0.2 1 841 73 76 ILE CG1 C 25.880 0.2 1 842 73 76 ILE CG2 C 18.491 0.2 1 843 73 76 ILE CD1 C 14.244 0.2 1 844 73 76 ILE N N 112.683 0.2 1 845 74 77 ASN H H 8.615 0.02 1 846 74 77 ASN HA H 4.379 0.02 1 847 74 77 ASN HB2 H 2.992 0.02 2 848 74 77 ASN HB3 H 2.773 0.02 2 849 74 77 ASN HD21 H 7.206 0.02 2 850 74 77 ASN HD22 H 7.909 0.02 2 851 74 77 ASN C C 176.870 0.2 1 852 74 77 ASN CA C 55.140 0.2 1 853 74 77 ASN CB C 39.900 0.2 1 854 74 77 ASN N N 122.212 0.2 1 855 74 77 ASN ND2 N 114.318 0.2 1 856 75 78 GLN H H 9.034 0.02 1 857 75 78 GLN HA H 4.178 0.02 1 858 75 78 GLN HB2 H 1.767 0.02 2 859 75 78 GLN HG3 H 2.170 0.02 2 860 75 78 GLN HE21 H 6.900 0.02 2 861 75 78 GLN HE22 H 7.070 0.02 2 862 75 78 GLN C C 176.850 0.2 1 863 75 78 GLN CA C 59.660 0.2 1 864 75 78 GLN CB C 29.240 0.2 1 865 75 78 GLN CG C 32.440 0.2 1 866 75 78 GLN N N 125.170 0.2 1 867 75 78 GLN NE2 N 109.299 0.2 1 868 76 79 LEU H H 8.090 0.02 1 869 76 79 LEU HA H 3.965 0.02 1 870 76 79 LEU HB2 H 1.769 0.02 2 871 76 79 LEU HB3 H 1.446 0.02 2 872 76 79 LEU HG H 1.640 0.02 1 873 76 79 LEU HD1 H 0.916 0.02 2 874 76 79 LEU HD2 H 0.760 0.02 2 875 76 79 LEU C C 179.680 0.2 1 876 76 79 LEU CA C 57.470 0.2 1 877 76 79 LEU CB C 40.460 0.2 1 878 76 79 LEU CG C 27.280 0.2 1 879 76 79 LEU CD1 C 25.070 0.2 2 880 76 79 LEU CD2 C 22.850 0.2 2 881 76 79 LEU N N 117.920 0.2 1 882 77 80 SER H H 7.510 0.02 1 883 77 80 SER HA H 3.922 0.02 1 884 77 80 SER HB3 H 3.800 0.02 2 885 77 80 SER C C 172.930 0.2 1 886 77 80 SER CA C 62.290 0.2 1 887 77 80 SER CB C 62.500 0.2 1 888 77 80 SER N N 116.225 0.2 1 889 78 81 VAL H H 7.315 0.02 1 890 78 81 VAL HA H 3.144 0.02 1 891 78 81 VAL HB H 2.359 0.02 1 892 78 81 VAL HG1 H 1.109 0.02 2 893 78 81 VAL HG2 H 1.157 0.02 2 894 78 81 VAL C C 177.380 0.2 1 895 78 81 VAL CA C 67.540 0.2 1 896 78 81 VAL CB C 31.660 0.2 1 897 78 81 VAL CG1 C 23.520 0.2 2 898 78 81 VAL CG2 C 24.070 0.2 2 899 78 81 VAL N N 117.910 0.2 1 900 79 82 VAL H H 7.571 0.02 1 901 79 82 VAL HA H 3.296 0.02 1 902 79 82 VAL HB H 2.163 0.02 1 903 79 82 VAL HG1 H 1.305 0.02 2 904 79 82 VAL HG2 H 0.856 0.02 2 905 79 82 VAL C C 177.190 0.2 1 906 79 82 VAL CA C 67.010 0.2 1 907 79 82 VAL CB C 31.760 0.2 1 908 79 82 VAL CG1 C 23.324 0.2 2 909 79 82 VAL CG2 C 22.440 0.2 2 910 79 82 VAL N N 115.795 0.2 1 911 80 83 LYS H H 7.762 0.02 1 912 80 83 LYS HA H 3.770 0.02 1 913 80 83 LYS HB2 H 1.845 0.02 2 914 80 83 LYS HB3 H 1.886 0.02 2 915 80 83 LYS HG2 H 1.313 0.02 2 916 80 83 LYS HG3 H 1.592 0.02 2 917 80 83 LYS HD2 H 1.666 0.02 2 918 80 83 LYS HE3 H 2.914 0.02 2 919 80 83 LYS C C 180.080 0.2 1 920 80 83 LYS CA C 60.410 0.2 1 921 80 83 LYS CB C 31.495 0.2 1 922 80 83 LYS CG C 25.910 0.2 1 923 80 83 LYS CD C 29.770 0.2 1 924 80 83 LYS CE C 41.950 0.2 1 925 80 83 LYS N N 119.090 0.2 1 926 81 84 TYR H H 8.320 0.02 1 927 81 84 TYR HA H 3.760 0.02 1 928 81 84 TYR HB2 H 2.837 0.02 2 929 81 84 TYR HB3 H 1.731 0.02 2 930 81 84 TYR HD1 H 6.580 0.02 3 931 81 84 TYR HE1 H 6.721 0.02 3 932 81 84 TYR C C 178.834 0.2 1 933 81 84 TYR CA C 57.120 0.2 1 934 81 84 TYR CB C 35.720 0.2 1 935 81 84 TYR CD1 C 131.510 0.2 3 936 81 84 TYR CE1 C 118.160 0.2 3 937 81 84 TYR N N 120.664 0.2 1 938 82 85 LEU H H 7.958 0.02 1 939 82 85 LEU HA H 3.246 0.02 1 940 82 85 LEU HB2 H 1.137 0.02 2 941 82 85 LEU HB3 H 1.754 0.02 2 942 82 85 LEU HG H 1.095 0.02 1 943 82 85 LEU HD1 H 0.098 0.02 2 944 82 85 LEU HD2 H 0.722 0.02 2 945 82 85 LEU C C 178.815 0.2 1 946 82 85 LEU CA C 57.860 0.2 1 947 82 85 LEU CB C 39.270 0.2 1 948 82 85 LEU CG C 26.950 0.2 1 949 82 85 LEU CD1 C 21.160 0.2 2 950 82 85 LEU CD2 C 26.800 0.2 2 951 82 85 LEU N N 122.470 0.2 1 952 83 86 LEU H H 8.892 0.02 1 953 83 86 LEU HA H 3.709 0.02 1 954 83 86 LEU HB2 H 1.501 0.02 2 955 83 86 LEU HB3 H 1.713 0.02 2 956 83 86 LEU HG H 1.844 0.02 1 957 83 86 LEU HD1 H 0.749 0.02 2 958 83 86 LEU HD2 H 0.707 0.02 2 959 83 86 LEU C C 177.820 0.2 1 960 83 86 LEU CA C 58.710 0.2 1 961 83 86 LEU CB C 39.710 0.2 1 962 83 86 LEU CG C 27.180 0.2 1 963 83 86 LEU CD1 C 24.520 0.2 2 964 83 86 LEU CD2 C 22.770 0.2 2 965 83 86 LEU N N 119.300 0.2 1 966 84 87 ALA H H 8.169 0.02 1 967 84 87 ALA HA H 4.248 0.02 1 968 84 87 ALA HB H 1.772 0.02 1 969 84 87 ALA C C 180.330 0.2 1 970 84 87 ALA CA C 54.730 0.2 1 971 84 87 ALA CB C 18.810 0.2 1 972 84 87 ALA N N 119.895 0.2 1 973 85 88 SER H H 7.820 0.02 1 974 85 88 SER HA H 4.343 0.02 1 975 85 88 SER HB3 H 4.032 0.02 2 976 85 88 SER C C 173.900 0.2 1 977 85 88 SER CA C 60.480 0.2 1 978 85 88 SER CB C 63.200 0.2 1 979 85 88 SER N N 115.940 0.2 1 980 86 89 LEU H H 7.568 0.02 1 981 86 89 LEU HA H 4.225 0.02 1 982 86 89 LEU HB2 H 1.714 0.02 2 983 86 89 LEU HB3 H 1.570 0.02 2 984 86 89 LEU HG H 1.669 0.02 1 985 86 89 LEU HD1 H 0.567 0.02 2 986 86 89 LEU HD2 H 0.730 0.02 2 987 86 89 LEU C C 178.170 0.2 1 988 86 89 LEU CA C 54.610 0.2 1 989 86 89 LEU CB C 42.156 0.2 1 990 86 89 LEU CG C 27.300 0.2 1 991 86 89 LEU CD1 C 21.355 0.2 2 992 86 89 LEU CD2 C 25.350 0.2 2 993 86 89 LEU N N 118.282 0.2 1 994 87 90 LYS H H 7.125 0.02 1 995 87 90 LYS HA H 4.028 0.02 1 996 87 90 LYS HB2 H 1.941 0.02 2 997 87 90 LYS HB3 H 1.816 0.02 2 998 87 90 LYS HG2 H 1.496 0.02 2 999 87 90 LYS HD3 H 1.695 0.02 2 1000 87 90 LYS HE3 H 3.027 0.02 2 1001 87 90 LYS C C 176.880 0.2 1 1002 87 90 LYS CA C 59.176 0.2 1 1003 87 90 LYS CB C 32.259 0.2 1 1004 87 90 LYS CG C 24.262 0.2 1 1005 87 90 LYS CD C 29.056 0.2 1 1006 87 90 LYS CE C 42.230 0.2 1 1007 87 90 LYS N N 121.521 0.2 1 1008 88 91 ASP H H 8.358 0.02 1 1009 88 91 ASP HA H 4.668 0.02 1 1010 88 91 ASP HB2 H 2.590 0.02 2 1011 88 91 ASP HB3 H 2.808 0.02 2 1012 88 91 ASP C C 175.600 0.2 1 1013 88 91 ASP CA C 54.600 0.2 1 1014 88 91 ASP CB C 40.867 0.2 1 1015 88 91 ASP N N 117.605 0.2 1 1016 89 92 SER H H 7.561 0.02 1 1017 89 92 SER HA H 4.237 0.02 1 1018 89 92 SER HB2 H 3.847 0.02 2 1019 89 92 SER HB3 H 3.779 0.02 2 1020 89 92 SER C C 176.040 0.2 1 1021 89 92 SER CA C 58.260 0.2 1 1022 89 92 SER CB C 63.831 0.2 1 1023 89 92 SER N N 113.811 0.2 1 1024 90 93 LYS H H 8.723 0.02 1 1025 90 93 LYS HA H 4.105 0.02 1 1026 90 93 LYS HB2 H 1.909 0.02 2 1027 90 93 LYS HB3 H 1.585 0.02 2 1028 90 93 LYS HG2 H 1.379 0.02 2 1029 90 93 LYS HG3 H 1.442 0.02 2 1030 90 93 LYS HD3 H 1.655 0.02 2 1031 90 93 LYS HE3 H 3.005 0.02 2 1032 90 93 LYS C C 175.110 0.2 1 1033 90 93 LYS CA C 55.080 0.2 1 1034 90 93 LYS CB C 32.142 0.2 1 1035 90 93 LYS CG C 24.790 0.2 1 1036 90 93 LYS CD C 28.680 0.2 1 1037 90 93 LYS CE C 42.322 0.2 1 1038 90 93 LYS N N 125.490 0.2 1 1039 91 94 ASP H H 7.924 0.02 1 1040 91 94 ASP HA H 4.651 0.02 1 1041 91 94 ASP HB2 H 2.396 0.02 2 1042 91 94 ASP HB3 H 2.895 0.02 2 1043 91 94 ASP C C 176.100 0.2 1 1044 91 94 ASP CA C 52.200 0.2 1 1045 91 94 ASP CB C 40.700 0.2 1 1046 91 94 ASP N N 120.393 0.2 1 1047 92 95 PHE H H 7.823 0.02 1 1048 92 95 PHE HA H 4.364 0.02 1 1049 92 95 PHE HB2 H 2.863 0.02 2 1050 92 95 PHE HB3 H 3.027 0.02 2 1051 92 95 PHE HD1 H 7.313 0.02 3 1052 92 95 PHE CA C 60.200 0.2 1 1053 92 95 PHE CB C 39.800 0.2 1 1054 92 95 PHE N N 122.620 0.2 1 1055 93 96 ASP H H 8.309 0.02 1 1056 93 96 ASP HA H 4.471 0.02 1 1057 93 96 ASP HB2 H 2.768 0.02 2 1058 93 96 ASP HB3 H 2.606 0.02 2 1059 93 96 ASP C C 179.160 0.2 1 1060 93 96 ASP CA C 57.860 0.2 1 1061 93 96 ASP CB C 40.310 0.2 1 1062 93 96 ASP N N 117.970 0.2 1 1063 94 97 GLU H H 7.884 0.02 1 1064 94 97 GLU HA H 4.136 0.02 1 1065 94 97 GLU HB2 H 2.066 0.02 2 1066 94 97 GLU HB3 H 2.230 0.02 2 1067 94 97 GLU HG2 H 2.370 0.02 2 1068 94 97 GLU HG3 H 2.253 0.02 2 1069 94 97 GLU C C 178.700 0.2 1 1070 94 97 GLU CA C 59.340 0.2 1 1071 94 97 GLU CB C 29.860 0.2 1 1072 94 97 GLU CG C 37.100 0.2 1 1073 94 97 GLU N N 123.150 0.2 1 1074 95 98 SER H H 8.181 0.02 1 1075 95 98 SER HA H 4.326 0.02 1 1076 95 98 SER HB2 H 3.937 0.02 2 1077 95 98 SER C C 175.360 0.2 1 1078 95 98 SER CA C 62.500 0.2 1 1079 95 98 SER CB C 62.230 0.2 1 1080 95 98 SER N N 115.910 0.2 1 1081 96 99 LEU H H 8.238 0.02 1 1082 96 99 LEU HA H 3.900 0.02 1 1083 96 99 LEU HB2 H 1.891 0.02 2 1084 96 99 LEU HB3 H 1.476 0.02 2 1085 96 99 LEU HG H 1.758 0.02 1 1086 96 99 LEU HD1 H 0.710 0.02 2 1087 96 99 LEU HD2 H 0.620 0.02 2 1088 96 99 LEU C C 178.170 0.2 1 1089 96 99 LEU CA C 58.330 0.2 1 1090 96 99 LEU CB C 41.550 0.2 1 1091 96 99 LEU CG C 27.100 0.2 1 1092 96 99 LEU CD1 C 24.330 0.2 2 1093 96 99 LEU CD2 C 25.170 0.2 2 1094 96 99 LEU N N 119.630 0.2 1 1095 97 100 LYS H H 7.585 0.02 1 1096 97 100 LYS HA H 4.063 0.02 1 1097 97 100 LYS HB2 H 1.867 0.02 2 1098 97 100 LYS HB3 H 2.018 0.02 2 1099 97 100 LYS HG2 H 1.212 0.02 2 1100 97 100 LYS HG3 H 1.419 0.02 2 1101 97 100 LYS HD2 H 1.602 0.02 2 1102 97 100 LYS HD3 H 1.502 0.02 2 1103 97 100 LYS HE2 H 2.764 0.02 2 1104 97 100 LYS HE3 H 2.851 0.02 2 1105 97 100 LYS C C 178.800 0.2 1 1106 97 100 LYS CA C 59.460 0.2 1 1107 97 100 LYS CB C 31.660 0.2 1 1108 97 100 LYS CG C 24.600 0.2 1 1109 97 100 LYS CD C 28.840 0.2 1 1110 97 100 LYS CE C 41.860 0.2 1 1111 97 100 LYS N N 120.131 0.2 1 1112 98 101 TYR H H 8.034 0.02 1 1113 98 101 TYR HA H 4.060 0.02 1 1114 98 101 TYR HB2 H 3.136 0.02 2 1115 98 101 TYR HB3 H 2.984 0.02 2 1116 98 101 TYR HD1 H 7.364 0.02 3 1117 98 101 TYR HE1 H 7.147 0.02 3 1118 98 101 TYR C C 179.900 0.2 1 1119 98 101 TYR CA C 63.130 0.2 1 1120 98 101 TYR CB C 39.240 0.2 1 1121 98 101 TYR CD1 C 133.150 0.2 3 1122 98 101 TYR CE1 C 118.488 0.2 3 1123 98 101 TYR N N 117.727 0.2 1 1124 99 102 LEU H H 8.224 0.02 1 1125 99 102 LEU HA H 3.908 0.02 1 1126 99 102 LEU HB2 H 1.719 0.02 2 1127 99 102 LEU HB3 H 1.870 0.02 2 1128 99 102 LEU HG H 1.763 0.02 1 1129 99 102 LEU HD1 H 0.712 0.02 2 1130 99 102 LEU HD2 H 0.921 0.02 2 1131 99 102 LEU C C 177.440 0.2 1 1132 99 102 LEU CA C 58.560 0.2 1 1133 99 102 LEU CB C 42.040 0.2 1 1134 99 102 LEU CG C 26.790 0.2 1 1135 99 102 LEU CD1 C 25.640 0.2 2 1136 99 102 LEU CD2 C 25.030 0.2 2 1137 99 102 LEU N N 120.667 0.2 1 1138 100 103 ASP H H 8.606 0.02 1 1139 100 103 ASP HA H 4.330 0.02 1 1140 100 103 ASP HB2 H 2.774 0.02 2 1141 100 103 ASP HB3 H 2.571 0.02 2 1142 100 103 ASP C C 179.770 0.2 1 1143 100 103 ASP CA C 57.530 0.2 1 1144 100 103 ASP CB C 40.844 0.2 1 1145 100 103 ASP N N 119.480 0.2 1 1146 101 104 ASP H H 8.459 0.02 1 1147 101 104 ASP HA H 4.365 0.02 1 1148 101 104 ASP HB2 H 2.484 0.02 2 1149 101 104 ASP HB3 H 2.739 0.02 2 1150 101 104 ASP C C 178.410 0.2 1 1151 101 104 ASP CA C 57.020 0.2 1 1152 101 104 ASP CB C 40.340 0.2 1 1153 101 104 ASP N N 120.060 0.2 1 1154 102 105 LEU H H 7.698 0.02 1 1155 102 105 LEU HA H 3.897 0.02 1 1156 102 105 LEU HB2 H 1.509 0.02 2 1157 102 105 LEU HB3 H 1.465 0.02 2 1158 102 105 LEU HD1 H 0.263 0.02 2 1159 102 105 LEU HD2 H 0.680 0.02 2 1160 102 105 LEU C C 178.890 0.2 1 1161 102 105 LEU CA C 57.238 0.2 1 1162 102 105 LEU CB C 39.830 0.2 1 1163 102 105 LEU CD1 C 21.530 0.2 2 1164 102 105 LEU CD2 C 26.630 0.2 2 1165 102 105 LEU N N 121.600 0.2 1 1166 103 106 LYS H H 8.128 0.02 1 1167 103 106 LYS HA H 3.601 0.02 1 1168 103 106 LYS HB2 H 2.103 0.02 2 1169 103 106 LYS HB3 H 1.851 0.02 2 1170 103 106 LYS HG2 H 1.329 0.02 2 1171 103 106 LYS HG3 H 1.245 0.02 2 1172 103 106 LYS HD3 H 1.685 0.02 2 1173 103 106 LYS HE3 H 2.882 0.02 2 1174 103 106 LYS C C 177.630 0.2 1 1175 103 106 LYS CA C 60.630 0.2 1 1176 103 106 LYS CB C 32.340 0.2 1 1177 103 106 LYS CG C 25.560 0.2 1 1178 103 106 LYS CD C 29.780 0.2 1 1179 103 106 LYS CE C 41.740 0.2 1 1180 103 106 LYS N N 119.150 0.2 1 1181 104 107 ALA H H 8.119 0.02 1 1182 104 107 ALA HA H 4.211 0.02 1 1183 104 107 ALA HB H 1.519 0.02 1 1184 104 107 ALA C C 179.710 0.2 1 1185 104 107 ALA CA C 55.120 0.2 1 1186 104 107 ALA CB C 17.844 0.2 1 1187 104 107 ALA N N 119.949 0.2 1 1188 105 108 GLN H H 8.023 0.02 1 1189 105 108 GLN HA H 4.079 0.02 1 1190 105 108 GLN HB2 H 1.986 0.02 2 1191 105 108 GLN HB3 H 1.930 0.02 2 1192 105 108 GLN HG2 H 2.161 0.02 2 1193 105 108 GLN HG3 H 2.274 0.02 2 1194 105 108 GLN HE21 H 6.512 0.02 2 1195 105 108 GLN HE22 H 6.401 0.02 2 1196 105 108 GLN C C 179.850 0.2 1 1197 105 108 GLN CA C 58.910 0.2 1 1198 105 108 GLN CB C 27.850 0.2 1 1199 105 108 GLN CG C 34.150 0.2 1 1200 105 108 GLN N N 119.420 0.2 1 1201 105 108 GLN NE2 N 109.418 0.2 1 1202 106 109 PHE H H 8.541 0.02 1 1203 106 109 PHE HA H 4.340 0.02 1 1204 106 109 PHE HB2 H 2.966 0.02 2 1205 106 109 PHE HB3 H 3.342 0.02 2 1206 106 109 PHE HD1 H 6.891 0.02 3 1207 106 109 PHE HE1 H 7.187 0.02 3 1208 106 109 PHE C C 178.010 0.2 1 1209 106 109 PHE CA C 57.330 0.2 1 1210 106 109 PHE CB C 37.200 0.2 1 1211 106 109 PHE CD1 C 129.102 0.2 3 1212 106 109 PHE CE1 C 131.148 0.2 3 1213 106 109 PHE N N 119.920 0.2 1 1214 107 110 GLN H H 8.753 0.02 1 1215 107 110 GLN HA H 4.094 0.02 1 1216 107 110 GLN HB2 H 2.338 0.02 2 1217 107 110 GLN HB3 H 2.039 0.02 2 1218 107 110 GLN HG2 H 2.402 0.02 2 1219 107 110 GLN HG3 H 2.670 0.02 2 1220 107 110 GLN HE21 H 7.443 0.02 2 1221 107 110 GLN HE22 H 6.866 0.02 2 1222 107 110 GLN C C 179.370 0.2 1 1223 107 110 GLN CA C 59.270 0.2 1 1224 107 110 GLN CB C 28.490 0.2 1 1225 107 110 GLN CG C 34.850 0.2 1 1226 107 110 GLN N N 118.943 0.2 1 1227 107 110 GLN NE2 N 111.020 0.2 1 1228 108 111 GLU H H 8.183 0.02 1 1229 108 111 GLU HA H 4.141 0.02 1 1230 108 111 GLU HB2 H 2.173 0.02 2 1231 108 111 GLU HG3 H 2.307 0.02 2 1232 108 111 GLU C C 179.460 0.2 1 1233 108 111 GLU CA C 59.100 0.2 1 1234 108 111 GLU CB C 29.220 0.2 1 1235 108 111 GLU CG C 36.111 0.2 1 1236 108 111 GLU N N 121.230 0.2 1 1237 109 112 LEU H H 7.988 0.02 1 1238 109 112 LEU HA H 4.087 0.02 1 1239 109 112 LEU HB2 H 1.542 0.02 2 1240 109 112 LEU HB3 H 1.860 0.02 2 1241 109 112 LEU HG H 2.022 0.02 1 1242 109 112 LEU HD1 H 0.903 0.02 2 1243 109 112 LEU HD2 H 0.866 0.02 2 1244 109 112 LEU C C 179.600 0.2 1 1245 109 112 LEU CA C 58.010 0.2 1 1246 109 112 LEU CB C 41.660 0.2 1 1247 109 112 LEU CG C 26.370 0.2 1 1248 109 112 LEU CD1 C 23.060 0.2 2 1249 109 112 LEU CD2 C 25.790 0.2 2 1250 109 112 LEU N N 120.196 0.2 1 1251 110 113 ASP H H 7.962 0.02 1 1252 110 113 ASP HA H 4.594 0.02 1 1253 110 113 ASP HB3 H 2.792 0.02 2 1254 110 113 ASP C C 178.110 0.2 1 1255 110 113 ASP CA C 56.360 0.2 1 1256 110 113 ASP CB C 40.220 0.2 1 1257 110 113 ASP N N 119.355 0.2 1 1258 111 114 SER H H 8.067 0.02 1 1259 111 114 SER HA H 4.345 0.02 1 1260 111 114 SER HB3 H 4.039 0.02 2 1261 111 114 SER C C 175.640 0.2 1 1262 111 114 SER CA C 60.490 0.2 1 1263 111 114 SER CB C 63.225 0.2 1 1264 111 114 SER N N 115.990 0.2 1 1265 112 115 LYS H H 7.734 0.02 1 1266 112 115 LYS HA H 4.314 0.02 1 1267 112 115 LYS HB2 H 1.972 0.02 2 1268 112 115 LYS HB3 H 1.883 0.02 2 1269 112 115 LYS HG2 H 1.603 0.02 2 1270 112 115 LYS HD3 H 1.695 0.02 2 1271 112 115 LYS HE3 H 3.008 0.02 2 1272 112 115 LYS C C 176.940 0.2 1 1273 112 115 LYS CA C 56.927 0.2 1 1274 112 115 LYS CB C 32.559 0.2 1 1275 112 115 LYS CG C 25.160 0.2 1 1276 112 115 LYS CD C 29.110 0.2 1 1277 112 115 LYS CE C 42.330 0.2 1 1278 112 115 LYS N N 120.764 0.2 1 1279 113 116 LYS H H 7.836 0.02 1 1280 113 116 LYS HA H 4.247 0.02 1 1281 113 116 LYS HB3 H 1.886 0.02 2 1282 113 116 LYS HG3 H 1.483 0.02 2 1283 113 116 LYS HD3 H 1.706 0.02 2 1284 113 116 LYS HE3 H 2.992 0.02 2 1285 113 116 LYS C C 176.870 0.2 1 1286 113 116 LYS CA C 57.011 0.2 1 1287 113 116 LYS CB C 32.518 0.2 1 1288 113 116 LYS CG C 24.650 0.2 1 1289 113 116 LYS CD C 28.960 0.2 1 1290 113 116 LYS CE C 42.190 0.2 1 1291 113 116 LYS N N 119.910 0.2 1 1292 114 117 GLN H H 8.333 0.02 1 1293 114 117 GLN HA H 4.289 0.02 1 1294 114 117 GLN HB2 H 2.139 0.02 2 1295 114 117 GLN HB3 H 2.026 0.02 2 1296 114 117 GLN HG3 H 2.399 0.02 2 1297 114 117 GLN HE21 H 6.895 0.02 2 1298 114 117 GLN HE22 H 7.547 0.02 2 1299 114 117 GLN CA C 56.330 0.2 1 1300 114 117 GLN CB C 29.180 0.2 1 1301 114 117 GLN CG C 33.980 0.2 1 1302 114 117 GLN CD C 176.560 0.2 1 1303 114 117 GLN N N 120.303 0.2 1 1304 114 117 GLN NE2 N 112.397 0.2 1 1305 115 118 ARG H H 8.347 0.02 1 1306 115 118 ARG HA H 4.306 0.02 1 1307 115 118 ARG HB2 H 1.801 0.02 2 1308 115 118 ARG HB3 H 1.870 0.02 2 1309 115 118 ARG HG2 H 1.668 0.02 2 1310 115 118 ARG HG3 H 1.628 0.02 2 1311 115 118 ARG HD3 H 3.202 0.02 2 1312 115 118 ARG CA C 56.610 0.2 1 1313 115 118 ARG CB C 30.640 0.2 1 1314 115 118 ARG CG C 27.110 0.2 1 1315 115 118 ARG CD C 43.390 0.2 1 1316 115 118 ARG N N 121.335 0.2 1 1317 116 119 ASN HA H 4.785 0.02 1 1318 116 119 ASN HB2 H 2.720 0.02 2 1319 116 119 ASN HB3 H 2.844 0.02 2 1320 116 119 ASN HD21 H 6.884 0.02 2 1321 116 119 ASN HD22 H 7.607 0.02 2 1322 116 119 ASN C C 175.130 0.2 1 1323 116 119 ASN CA C 53.100 0.2 1 1324 116 119 ASN CB C 39.090 0.2 1 1325 116 119 ASN ND2 N 112.910 0.2 1 1326 117 120 ASN H H 8.428 0.02 1 1327 117 120 ASN HA H 4.711 0.02 1 1328 117 120 ASN HB2 H 2.781 0.02 2 1329 117 120 ASN HB3 H 2.834 0.02 2 1330 117 120 ASN HD21 H 6.956 0.02 2 1331 117 120 ASN HD22 H 7.639 0.02 2 1332 117 120 ASN C C 175.610 0.2 1 1333 117 120 ASN CA C 53.230 0.2 1 1334 117 120 ASN CB C 38.729 0.2 1 1335 117 120 ASN N N 118.260 0.2 1 1336 117 120 ASN ND2 N 112.716 0.2 1 1337 118 121 GLY H H 8.486 0.02 1 1338 118 121 GLY HA2 H 3.982 0.02 2 1339 118 121 GLY C C 174.210 0.2 1 1340 118 121 GLY CA C 45.415 0.2 1 1341 118 121 GLY N N 109.052 0.2 1 1342 119 122 SER H H 8.027 0.02 1 1343 119 122 SER HA H 4.450 0.02 1 1344 119 122 SER HB2 H 3.878 0.02 2 1345 119 122 SER C C 174.290 0.2 1 1346 119 122 SER CA C 58.450 0.2 1 1347 119 122 SER CB C 63.940 0.2 1 1348 119 122 SER N N 115.711 0.2 1 1349 120 123 LYS H H 8.446 0.02 1 1350 120 123 LYS HA H 4.313 0.02 1 1351 120 123 LYS HB2 H 1.860 0.02 2 1352 120 123 LYS HB3 H 1.721 0.02 2 1353 120 123 LYS CA C 56.070 0.2 1 1354 120 123 LYS CB C 32.780 0.2 1 1355 120 123 LYS N N 122.990 0.2 1 1356 121 124 ASP H H 8.194 0.02 1 1357 121 124 ASP HA H 4.594 0.02 1 1358 121 124 ASP HB2 H 2.795 0.02 2 1359 121 124 ASP HB3 H 2.603 0.02 2 1360 121 124 ASP CA C 54.800 0.2 1 1361 121 124 ASP CB C 41.770 0.2 1 1362 121 124 ASP N N 121.190 0.2 1 1363 122 125 HIS HA H 4.839 0.02 1 1364 122 125 HIS HB2 H 3.163 0.02 2 1365 122 125 HIS HB3 H 2.955 0.02 2 1366 122 125 HIS HE1 H 8.317 0.02 1 1367 122 125 HIS C C 175.170 0.2 1 1368 122 125 HIS CA C 56.490 0.2 1 1369 122 125 HIS CB C 28.010 0.2 1 1370 122 125 HIS CE1 C 136.890 0.2 1 1371 123 126 GLY H H 8.617 0.02 1 1372 123 126 GLY HA2 H 3.791 0.02 2 1373 123 126 GLY HA3 H 4.000 0.02 2 1374 123 126 GLY C C 175.700 0.2 1 1375 123 126 GLY CA C 47.260 0.2 1 1376 123 126 GLY N N 109.174 0.2 1 1377 124 127 ASP H H 8.704 0.02 1 1378 124 127 ASP HA H 4.435 0.02 1 1379 124 127 ASP HB2 H 2.590 0.02 2 1380 124 127 ASP HB3 H 2.492 0.02 2 1381 124 127 ASP C C 176.890 0.2 1 1382 124 127 ASP CA C 56.900 0.2 1 1383 124 127 ASP CB C 40.170 0.2 1 1384 124 127 ASP N N 120.900 0.2 1 1385 125 128 GLY H H 8.436 0.02 1 1386 125 128 GLY HA2 H 3.711 0.02 2 1387 125 128 GLY HA3 H 3.608 0.02 2 1388 125 128 GLY C C 174.840 0.2 1 1389 125 128 GLY CA C 47.150 0.2 1 1390 125 128 GLY N N 109.476 0.2 1 1391 126 129 ILE H H 8.469 0.02 1 1392 126 129 ILE HA H 3.657 0.02 1 1393 126 129 ILE HB H 1.989 0.02 1 1394 126 129 ILE HG13 H 1.094 0.02 2 1395 126 129 ILE HG2 H 0.947 0.02 1 1396 126 129 ILE HD1 H 0.915 0.02 1 1397 126 129 ILE C C 179.600 0.2 1 1398 126 129 ILE CA C 66.200 0.2 1 1399 126 129 ILE CB C 38.080 0.2 1 1400 126 129 ILE CG1 C 31.370 0.2 1 1401 126 129 ILE CG2 C 17.600 0.2 1 1402 126 129 ILE CD1 C 13.740 0.2 1 1403 126 129 ILE N N 121.826 0.2 1 1404 127 130 LEU H H 7.955 0.02 1 1405 127 130 LEU HA H 4.228 0.02 1 1406 127 130 LEU HB2 H 1.671 0.02 2 1407 127 130 LEU HB3 H 1.877 0.02 2 1408 127 130 LEU HG H 1.758 0.02 1 1409 127 130 LEU HD1 H 0.950 0.02 2 1410 127 130 LEU HD2 H 0.931 0.02 2 1411 127 130 LEU C C 180.380 0.2 1 1412 127 130 LEU CA C 58.290 0.2 1 1413 127 130 LEU CB C 41.900 0.2 1 1414 127 130 LEU CG C 27.050 0.2 1 1415 127 130 LEU CD1 C 25.000 0.2 2 1416 127 130 LEU CD2 C 23.960 0.2 2 1417 127 130 LEU N N 119.710 0.2 1 1418 128 131 LEU H H 7.482 0.02 1 1419 128 131 LEU HA H 4.222 0.02 1 1420 128 131 LEU HB2 H 1.701 0.02 2 1421 128 131 LEU HB3 H 1.879 0.02 2 1422 128 131 LEU HG H 1.717 0.02 1 1423 128 131 LEU HD1 H 0.876 0.02 2 1424 128 131 LEU HD2 H 0.945 0.02 2 1425 128 131 LEU C C 176.100 0.2 1 1426 128 131 LEU CA C 57.840 0.2 1 1427 128 131 LEU CB C 42.300 0.2 1 1428 128 131 LEU CG C 27.110 0.2 1 1429 128 131 LEU CD1 C 24.740 0.2 2 1430 128 131 LEU CD2 C 24.920 0.2 2 1431 128 131 LEU N N 119.500 0.2 1 1432 129 132 ILE H H 8.238 0.02 1 1433 129 132 ILE HA H 3.440 0.02 1 1434 129 132 ILE HB H 1.983 0.02 1 1435 129 132 ILE HG12 H 0.728 0.02 2 1436 129 132 ILE HG13 H 1.682 0.02 2 1437 129 132 ILE HG2 H 0.986 0.02 1 1438 129 132 ILE HD1 H 0.689 0.02 1 1439 129 132 ILE C C 177.590 0.2 1 1440 129 132 ILE CA C 66.530 0.2 1 1441 129 132 ILE CB C 38.090 0.2 1 1442 129 132 ILE CG1 C 29.920 0.2 1 1443 129 132 ILE CG2 C 18.720 0.2 1 1444 129 132 ILE CD1 C 14.230 0.2 1 1445 129 132 ILE N N 121.176 0.2 1 1446 130 133 ASP H H 9.175 0.02 1 1447 130 133 ASP HA H 4.561 0.02 1 1448 130 133 ASP HB2 H 2.542 0.02 2 1449 130 133 ASP HB3 H 2.839 0.02 2 1450 130 133 ASP C C 180.380 0.2 1 1451 130 133 ASP CA C 58.010 0.2 1 1452 130 133 ASP CB C 39.800 0.2 1 1453 130 133 ASP N N 120.580 0.2 1 1454 131 134 SER H H 8.147 0.02 1 1455 131 134 SER HA H 4.350 0.02 1 1456 131 134 SER HB3 H 4.096 0.02 2 1457 131 134 SER CA C 61.610 0.2 1 1458 131 134 SER CB C 62.670 0.2 1 1459 131 134 SER N N 117.055 0.2 1 1460 132 135 GLU H H 7.992 0.02 1 1461 132 135 GLU HA H 4.076 0.02 1 1462 132 135 GLU HB3 H 2.171 0.02 2 1463 132 135 GLU HG2 H 2.393 0.02 2 1464 132 135 GLU HG3 H 2.316 0.02 2 1465 132 135 GLU C C 178.170 0.2 1 1466 132 135 GLU CA C 58.250 0.2 1 1467 132 135 GLU CB C 29.240 0.2 1 1468 132 135 GLU CG C 36.080 0.2 1 1469 132 135 GLU N N 125.100 0.2 1 1470 133 136 ILE H H 9.336 0.02 1 1471 133 136 ILE HA H 3.418 0.02 1 1472 133 136 ILE HB H 2.022 0.02 1 1473 133 136 ILE HG12 H 1.878 0.02 2 1474 133 136 ILE HG13 H 0.853 0.02 2 1475 133 136 ILE HG2 H 0.963 0.02 1 1476 133 136 ILE HD1 H 0.874 0.02 1 1477 133 136 ILE C C 177.100 0.2 1 1478 133 136 ILE CA C 66.950 0.2 1 1479 133 136 ILE CB C 38.390 0.2 1 1480 133 136 ILE CG1 C 31.570 0.2 1 1481 133 136 ILE CG2 C 17.140 0.2 1 1482 133 136 ILE CD1 C 13.620 0.2 1 1483 133 136 ILE N N 126.599 0.2 1 1484 134 137 ALA H H 7.846 0.02 1 1485 134 137 ALA HA H 4.192 0.02 1 1486 134 137 ALA HB H 1.537 0.02 1 1487 134 137 ALA C C 180.640 0.2 1 1488 134 137 ALA CA C 55.400 0.2 1 1489 134 137 ALA CB C 17.460 0.2 1 1490 134 137 ALA N N 120.800 0.2 1 1491 135 138 ARG H H 7.906 0.02 1 1492 135 138 ARG HA H 3.970 0.02 1 1493 135 138 ARG HB3 H 1.926 0.02 2 1494 135 138 ARG HG2 H 1.490 0.02 2 1495 135 138 ARG HG3 H 1.720 0.02 2 1496 135 138 ARG HD2 H 3.310 0.02 2 1497 135 138 ARG HD3 H 3.110 0.02 2 1498 135 138 ARG C C 178.830 0.2 1 1499 135 138 ARG CA C 59.460 0.2 1 1500 135 138 ARG CB C 31.040 0.2 1 1501 135 138 ARG CG C 28.100 0.2 1 1502 135 138 ARG CD C 43.010 0.2 1 1503 135 138 ARG N N 118.650 0.2 1 1504 136 139 THR H H 8.228 0.02 1 1505 136 139 THR HA H 3.688 0.02 1 1506 136 139 THR HB H 4.201 0.02 1 1507 136 139 THR HG2 H 1.148 0.02 1 1508 136 139 THR C C 176.190 0.2 1 1509 136 139 THR CA C 67.480 0.2 1 1510 136 139 THR CB C 67.920 0.2 1 1511 136 139 THR CG2 C 21.870 0.2 1 1512 136 139 THR N N 117.218 0.2 1 1513 137 140 TYR H H 8.485 0.02 1 1514 137 140 TYR HA H 4.060 0.02 1 1515 137 140 TYR HB2 H 3.051 0.02 2 1516 137 140 TYR HB3 H 3.006 0.02 2 1517 137 140 TYR HD1 H 7.110 0.02 3 1518 137 140 TYR HE1 H 6.761 0.02 3 1519 137 140 TYR C C 178.380 0.2 1 1520 137 140 TYR CA C 62.860 0.2 1 1521 137 140 TYR CB C 37.870 0.2 1 1522 137 140 TYR CD1 C 132.594 0.2 3 1523 137 140 TYR CE1 C 118.480 0.2 3 1524 137 140 TYR N N 121.070 0.2 1 1525 138 141 LEU H H 7.524 0.02 1 1526 138 141 LEU HA H 4.030 0.02 1 1527 138 141 LEU HB2 H 1.411 0.02 2 1528 138 141 LEU HB3 H 1.955 0.02 2 1529 138 141 LEU HG H 1.977 0.02 1 1530 138 141 LEU HD1 H 0.891 0.02 2 1531 138 141 LEU CA C 57.520 0.2 1 1532 138 141 LEU CB C 41.950 0.2 1 1533 138 141 LEU CG C 26.950 0.2 1 1534 138 141 LEU CD1 C 22.820 0.2 2 1535 138 141 LEU N N 119.140 0.2 1 1536 139 142 LEU H H 7.608 0.02 1 1537 139 142 LEU HA H 3.967 0.02 1 1538 139 142 LEU HB2 H 1.476 0.02 2 1539 139 142 LEU HB3 H 1.066 0.02 2 1540 139 142 LEU HG H 1.735 0.02 1 1541 139 142 LEU HD1 H 0.872 0.02 2 1542 139 142 LEU HD2 H 0.850 0.02 2 1543 139 142 LEU CA C 57.310 0.2 1 1544 139 142 LEU CB C 41.490 0.2 1 1545 139 142 LEU CG C 27.020 0.2 1 1546 139 142 LEU CD1 C 25.520 0.2 2 1547 139 142 LEU CD2 C 22.780 0.2 2 1548 139 142 LEU N N 119.980 0.2 1 1549 140 143 LYS H H 7.858 0.02 1 1550 140 143 LYS HA H 3.691 0.02 1 1551 140 143 LYS HB2 H 1.764 0.02 2 1552 140 143 LYS HB3 H 1.534 0.02 2 1553 140 143 LYS HG2 H 1.430 0.02 2 1554 140 143 LYS HE3 H 2.991 0.02 2 1555 140 143 LYS CA C 58.660 0.2 1 1556 140 143 LYS CB C 32.590 0.2 1 1557 140 143 LYS CG C 24.920 0.2 1 1558 140 143 LYS CE C 41.912 0.2 1 1559 140 143 LYS N N 118.940 0.2 1 1560 141 144 ASN H H 8.011 0.02 1 1561 141 144 ASN HA H 4.551 0.02 1 1562 141 144 ASN HB2 H 2.772 0.02 2 1563 141 144 ASN HB3 H 2.872 0.02 2 1564 141 144 ASN HD21 H 6.810 0.02 2 1565 141 144 ASN HD22 H 7.464 0.02 2 1566 141 144 ASN CA C 54.600 0.2 1 1567 141 144 ASN CB C 38.550 0.2 1 1568 141 144 ASN N N 116.896 0.2 1 1569 141 144 ASN ND2 N 112.280 0.2 1 1570 142 145 ASP H H 8.012 0.02 1 1571 142 145 ASP HA H 4.562 0.02 1 1572 142 145 ASP HB2 H 2.702 0.02 2 1573 142 145 ASP HB3 H 2.736 0.02 2 1574 142 145 ASP CA C 55.800 0.2 1 1575 142 145 ASP CB C 40.920 0.2 1 1576 142 145 ASP N N 120.270 0.2 1 1577 143 146 LEU H H 7.844 0.02 1 1578 143 146 LEU HA H 4.290 0.02 1 1579 143 146 LEU HB2 H 1.753 0.02 2 1580 143 146 LEU HB3 H 1.823 0.02 2 1581 143 146 LEU HG H 1.766 0.02 1 1582 143 146 LEU HD1 H 0.929 0.02 2 1583 143 146 LEU HD2 H 1.048 0.02 2 1584 143 146 LEU CA C 56.490 0.2 1 1585 143 146 LEU CB C 42.370 0.2 1 1586 143 146 LEU CG C 26.920 0.2 1 1587 143 146 LEU CD1 C 25.040 0.2 2 1588 143 146 LEU CD2 C 25.170 0.2 2 1589 143 146 LEU N N 120.828 0.2 1 1590 144 147 VAL H H 7.870 0.02 1 1591 144 147 VAL HA H 3.958 0.02 1 1592 144 147 VAL HB H 2.160 0.02 1 1593 144 147 VAL HG1 H 0.950 0.02 2 1594 144 147 VAL HG2 H 1.022 0.02 2 1595 144 147 VAL CA C 63.680 0.2 1 1596 144 147 VAL CB C 32.170 0.2 1 1597 144 147 VAL CG1 C 21.220 0.2 2 1598 144 147 VAL CG2 C 21.590 0.2 2 1599 144 147 VAL N N 119.340 0.2 1 1600 145 148 LYS H H 8.029 0.02 1 1601 145 148 LYS HA H 4.219 0.02 1 1602 145 148 LYS HB3 H 1.802 0.02 2 1603 145 148 LYS CA C 57.090 0.2 1 1604 145 148 LYS CB C 33.040 0.2 1 1605 145 148 LYS N N 119.706 0.2 1 1606 146 149 ALA H H 8.113 0.02 1 1607 146 149 ALA HA H 4.238 0.02 1 1608 146 149 ALA HB H 1.446 0.02 1 1609 146 149 ALA CA C 53.170 0.2 1 1610 146 149 ALA CB C 18.860 0.2 1 1611 146 149 ALA N N 123.501 0.2 1 1612 147 150 ARG H H 8.148 0.02 1 1613 147 150 ARG HB2 H 1.811 0.02 2 1614 147 150 ARG HB3 H 1.679 0.02 2 1615 147 150 ARG CA C 56.950 0.2 1 1616 147 150 ARG CB C 31.590 0.2 1 1617 147 150 ARG N N 119.440 0.2 1 1618 148 151 ASP H H 8.241 0.02 1 1619 148 151 ASP HA H 4.560 0.02 1 1620 148 151 ASP HB3 H 2.687 0.02 2 1621 148 151 ASP CA C 54.780 0.2 1 1622 148 151 ASP CB C 40.880 0.2 1 1623 148 151 ASP N N 120.550 0.2 1 1624 149 152 LEU H H 7.975 0.02 1 1625 149 152 LEU HA H 4.234 0.02 1 1626 149 152 LEU HB3 H 1.678 0.02 2 1627 149 152 LEU HD1 H 0.923 0.02 2 1628 149 152 LEU CA C 55.280 0.2 1 1629 149 152 LEU CB C 42.004 0.2 1 1630 149 152 LEU CD1 C 25.070 0.2 2 1631 149 152 LEU N N 121.270 0.2 1 1632 150 153 LEU H H 7.882 0.02 1 1633 150 153 LEU CA C 55.500 0.2 1 1634 150 153 LEU CB C 42.430 0.2 1 1635 150 153 LEU N N 119.970 0.2 1 1636 151 154 ASP H H 8.125 0.02 1 1637 151 154 ASP HA H 4.221 0.02 1 1638 151 154 ASP HB3 H 2.689 0.02 2 1639 151 154 ASP CA C 55.020 0.2 1 1640 151 154 ASP CB C 41.400 0.2 1 1641 151 154 ASP N N 120.490 0.2 1 1642 152 155 ASP H H 8.178 0.02 1 1643 152 155 ASP HA H 4.563 0.02 1 1644 152 155 ASP HB3 H 2.680 0.02 2 1645 152 155 ASP CA C 54.500 0.2 1 1646 152 155 ASP CB C 41.050 0.2 1 1647 152 155 ASP N N 120.280 0.2 1 1648 153 156 LEU H H 8.126 0.02 1 1649 153 156 LEU HA H 4.241 0.02 1 1650 153 156 LEU HB3 H 1.735 0.02 2 1651 153 156 LEU HG H 1.760 0.02 1 1652 153 156 LEU HD1 H 0.920 0.02 2 1653 153 156 LEU CA C 56.050 0.2 1 1654 153 156 LEU CB C 42.040 0.2 1 1655 153 156 LEU CG C 26.950 0.2 1 1656 153 156 LEU CD1 C 25.050 0.2 2 1657 153 156 LEU N N 121.736 0.2 1 1658 155 158 LYS H H 7.969 0.02 1 1659 155 158 LYS HA H 4.309 0.02 1 1660 155 158 LYS HB2 H 1.770 0.02 2 1661 155 158 LYS HB3 H 1.839 0.02 2 1662 155 158 LYS CA C 56.100 0.2 1 1663 155 158 LYS CB C 32.930 0.2 1 1664 155 158 LYS N N 120.974 0.2 1 1665 156 159 THR H H 8.076 0.02 1 1666 156 159 THR HA H 4.290 0.02 1 1667 156 159 THR HB H 4.237 0.02 1 1668 156 159 THR HG2 H 1.232 0.02 1 1669 156 159 THR CA C 62.300 0.2 1 1670 156 159 THR CB C 69.670 0.2 1 1671 156 159 THR CG2 C 21.710 0.2 1 1672 156 159 THR N N 114.520 0.2 1 1673 157 160 LEU H H 8.304 0.02 1 1674 157 160 LEU HA H 4.181 0.02 1 1675 157 160 LEU HB2 H 1.575 0.02 2 1676 157 160 LEU HB3 H 1.602 0.02 2 1677 157 160 LEU HG H 1.651 0.02 1 1678 157 160 LEU HD1 H 0.860 0.02 2 1679 157 160 LEU HD2 H 0.922 0.02 2 1680 157 160 LEU CA C 56.820 0.2 1 1681 157 160 LEU CB C 43.300 0.2 1 1682 157 160 LEU CG C 27.300 0.2 1 1683 157 160 LEU CD1 C 23.440 0.2 2 1684 157 160 LEU CD2 C 24.980 0.2 2 1685 157 160 LEU N N 120.050 0.2 1 1686 158 161 ASP H H 7.975 0.02 1 1687 158 161 ASP HA H 4.511 0.02 1 1688 158 161 ASP HB2 H 2.770 0.02 2 1689 158 161 ASP HB3 H 2.808 0.02 2 1690 158 161 ASP CA C 54.680 0.2 1 1691 158 161 ASP CB C 40.695 0.2 1 1692 158 161 ASP N N 124.410 0.2 1 1693 159 162 LYS H H 7.965 0.02 1 1694 159 162 LYS HA H 4.317 0.02 1 1695 159 162 LYS HB2 H 1.755 0.02 2 1696 159 162 LYS HB3 H 1.878 0.02 2 1697 159 162 LYS HG2 H 1.465 0.02 2 1698 159 162 LYS HG3 H 1.426 0.02 2 1699 159 162 LYS HD2 H 1.685 0.02 2 1700 159 162 LYS HE3 H 2.981 0.02 2 1701 159 162 LYS CA C 56.140 0.2 1 1702 159 162 LYS CB C 32.780 0.2 1 1703 159 162 LYS CG C 24.900 0.2 1 1704 159 162 LYS CD C 29.190 0.2 1 1705 159 162 LYS CE C 41.791 0.2 1 1706 159 162 LYS N N 128.070 0.2 1 1707 160 163 LYS H H 7.940 0.02 1 1708 160 163 LYS HA H 4.131 0.02 1 1709 160 163 LYS HB2 H 1.724 0.02 2 1710 160 163 LYS HB3 H 1.827 0.02 2 1711 160 163 LYS HG2 H 1.422 0.02 2 1712 160 163 LYS HD2 H 1.682 0.02 2 1713 160 163 LYS HE3 H 3.001 0.02 2 1714 160 163 LYS CA C 57.710 0.2 1 1715 160 163 LYS CB C 33.600 0.2 1 1716 160 163 LYS CG C 24.790 0.2 1 1717 160 163 LYS CD C 29.040 0.2 1 1718 160 163 LYS CE C 42.100 0.2 1 1719 160 163 LYS N N 127.884 0.2 1 stop_ save_