data_15851 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of calcium-loaded STIM1 EF-SAM ; _BMRB_accession_number 15851 _BMRB_flat_file_name bmr15851.str _Entry_type original _Submission_date 2008-07-02 _Accession_date 2008-07-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'EF-hand and SAM domain structural organization for calcium-loaded stromal interaction molecule 1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stathopulos Peter B. . 2 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 802 "13C chemical shifts" 569 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-26 update BMRB 'complete entry citation' 2008-10-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and Mechanistic Insights into STIM1-Mediated Initiation of Store-Operated Calcium Entry' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18854159 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stathopulos Peter B. . 2 Zheng Le . . 3 Li Guang-Yao . . 4 Plevin Michael J. . 5 Ikura Mitsuhiko . . stop_ _Journal_abbreviation Cell _Journal_volume 135 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 110 _Page_last 122 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Stromal interaction molecule 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Stromal interaction molecule 1' $Stromal_interaction_molecule_1 'CALCIUM ION' $CA 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_Stromal_interaction_molecule_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common stromal_interaction_molecule_1 _Molecular_mass 17380.514 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; GSHMASSEDEKLSFEAVRNI HKLMDDDANGDVDVEESDEF LREDLNYHDPTVKHSTFHGE DKLISVEDLWKAWKSSEVYN WTVDEVVQWLITYVELPQYE ETFRKLQLSGHAMPRLAVTN TTMTGTVLKMTDRSHRQKLQ LKALDTVLFG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 SER 3 -3 HIS 4 -2 MET 5 -1 ALA 6 0 SER 7 58 SER 8 59 GLU 9 60 ASP 10 61 GLU 11 62 LYS 12 63 LEU 13 64 SER 14 65 PHE 15 66 GLU 16 67 ALA 17 68 VAL 18 69 ARG 19 70 ASN 20 71 ILE 21 72 HIS 22 73 LYS 23 74 LEU 24 75 MET 25 76 ASP 26 77 ASP 27 78 ASP 28 79 ALA 29 80 ASN 30 81 GLY 31 82 ASP 32 83 VAL 33 84 ASP 34 85 VAL 35 86 GLU 36 87 GLU 37 88 SER 38 89 ASP 39 90 GLU 40 91 PHE 41 92 LEU 42 93 ARG 43 94 GLU 44 95 ASP 45 96 LEU 46 97 ASN 47 98 TYR 48 99 HIS 49 100 ASP 50 101 PRO 51 102 THR 52 103 VAL 53 104 LYS 54 105 HIS 55 106 SER 56 107 THR 57 108 PHE 58 109 HIS 59 110 GLY 60 111 GLU 61 112 ASP 62 113 LYS 63 114 LEU 64 115 ILE 65 116 SER 66 117 VAL 67 118 GLU 68 119 ASP 69 120 LEU 70 121 TRP 71 122 LYS 72 123 ALA 73 124 TRP 74 125 LYS 75 126 SER 76 127 SER 77 128 GLU 78 129 VAL 79 130 TYR 80 131 ASN 81 132 TRP 82 133 THR 83 134 VAL 84 135 ASP 85 136 GLU 86 137 VAL 87 138 VAL 88 139 GLN 89 140 TRP 90 141 LEU 91 142 ILE 92 143 THR 93 144 TYR 94 145 VAL 95 146 GLU 96 147 LEU 97 148 PRO 98 149 GLN 99 150 TYR 100 151 GLU 101 152 GLU 102 153 THR 103 154 PHE 104 155 ARG 105 156 LYS 106 157 LEU 107 158 GLN 108 159 LEU 109 160 SER 110 161 GLY 111 162 HIS 112 163 ALA 113 164 MET 114 165 PRO 115 166 ARG 116 167 LEU 117 168 ALA 118 169 VAL 119 170 THR 120 171 ASN 121 172 THR 122 173 THR 123 174 MET 124 175 THR 125 176 GLY 126 177 THR 127 178 VAL 128 179 LEU 129 180 LYS 130 181 MET 131 182 THR 132 183 ASP 133 184 ARG 134 185 SER 135 186 HIS 136 187 ARG 137 188 GLN 138 189 LYS 139 190 LEU 140 191 GLN 141 192 LEU 142 193 LYS 143 194 ALA 144 195 LEU 145 196 ASP 146 197 THR 147 198 VAL 148 199 LEU 149 200 PHE 150 201 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2K60 "Nmr Structure Of Calcium-loaded Stim1 Ef-sam" 100.00 150 100.00 100.00 4.32e-105 DBJ BAG54839 "stromal interaction molecule 1 [Sus scrofa]" 74.67 327 100.00 100.00 1.46e-74 GB AAC51627 "GOK [Homo sapiens]" 98.00 685 97.96 98.64 1.07e-95 GB AAH21300 "Stromal interaction molecule 1 [Homo sapiens]" 98.00 685 97.96 98.64 1.07e-95 GB ABM86435 "stromal interaction molecule 1 [synthetic construct]" 98.00 685 97.96 98.64 1.07e-95 GB ABW03792 "stromal interaction molecule 1 [synthetic construct]" 98.00 685 97.96 98.64 1.07e-95 GB ADO20317 "STIM1L [Homo sapiens]" 98.00 791 97.96 98.64 4.13e-95 REF NP_001248464 "stromal interaction molecule 1 precursor [Macaca mulatta]" 98.00 684 97.96 98.64 1.20e-95 REF NP_001264890 "stromal interaction molecule 1 isoform 1 precursor [Homo sapiens]" 98.00 791 97.96 98.64 4.13e-95 REF NP_001264891 "stromal interaction molecule 1 isoform 3 precursor [Homo sapiens]" 98.00 540 97.96 98.64 1.67e-96 REF NP_003147 "stromal interaction molecule 1 isoform 2 precursor [Homo sapiens]" 98.00 685 97.96 98.64 1.07e-95 REF XP_001160553 "PREDICTED: stromal interaction molecule 1 isoform X3 [Pan troglodytes]" 98.00 685 97.96 98.64 1.07e-95 SP Q13586 "RecName: Full=Stromal interaction molecule 1; Flags: Precursor" 98.00 685 97.96 98.64 1.07e-95 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Stromal_interaction_molecule_1 Human 9606 Eukaryota Metazoa Homo sapiens STIM1/GOK 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 $Stromal_interaction_molecule_1 'recombinant technology' . Escherichia coli BL21(DE3) pET-28a 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 $Stromal_interaction_molecule_1 0.5-1.0 mM '[U-100% 13C; U-100% 15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $CA 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Stromal_interaction_molecule_1 0.5-1.0 mM '[U-100% 13C; U-100% 15N]' TRIS 20 mM '[U-99% 2H]' 'sodium chloride' 100 mM 'natural abundance' $CA 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version v1.1 loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version v2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(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_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 105 . mM pH 8.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ save_sample_condition_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 105 . mM pD 8.0 . pH pressure 1 . atm temperature 293 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '2D 1H-13C HSQC' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Stromal interaction molecule 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -5 1 GLY HA2 H 3.990 0.04 2 2 -5 1 GLY HA3 H 3.922 0.04 2 3 -5 1 GLY CA C 45.188 0.4 1 4 -4 2 SER HA H 4.495 0.04 1 5 -4 2 SER HB2 H 3.828 0.04 2 6 -4 2 SER HB3 H 3.828 0.04 2 7 -4 2 SER CA C 58.073 0.4 1 8 -4 2 SER CB C 63.683 0.4 1 9 -3 3 HIS HA H 4.645 0.04 1 10 -3 3 HIS HB2 H 3.092 0.04 2 11 -3 3 HIS HB3 H 3.084 0.04 2 12 -3 3 HIS HD2 H 7.110 0.04 1 13 -3 3 HIS CA C 56.302 0.4 1 14 -3 3 HIS CB C 30.788 0.4 1 15 -2 4 MET H H 8.360 0.04 1 16 -2 4 MET HA H 4.414 0.04 1 17 -2 4 MET HB2 H 2.008 0.04 2 18 -2 4 MET HB3 H 1.919 0.04 2 19 -2 4 MET HE H 2.081 0.04 1 20 -2 4 MET HG2 H 2.478 0.04 2 21 -2 4 MET HG3 H 2.419 0.04 2 22 -2 4 MET CA C 55.082 0.4 1 23 -2 4 MET CB C 33.031 0.4 1 24 -2 4 MET CE C 16.863 0.4 1 25 -2 4 MET CG C 31.737 0.4 1 26 -2 4 MET N N 120.500 0.4 1 27 -1 5 ALA H H 8.402 0.04 1 28 -1 5 ALA HA H 4.329 0.04 1 29 -1 5 ALA HB H 1.297 0.04 1 30 -1 5 ALA C C 177.290 0.4 1 31 -1 5 ALA CA C 52.257 0.4 1 32 -1 5 ALA CB C 19.116 0.4 1 33 -1 5 ALA N N 125.695 0.4 1 34 0 6 SER H H 8.654 0.04 1 35 0 6 SER HA H 4.528 0.04 1 36 0 6 SER HB2 H 4.053 0.04 2 37 0 6 SER HB3 H 3.940 0.04 2 38 0 6 SER CA C 58.012 0.4 1 39 0 6 SER CB C 64.010 0.4 1 40 0 6 SER N N 116.508 0.4 1 41 1 7 SER HA H 4.513 0.04 1 42 1 7 SER HB2 H 4.076 0.04 2 43 1 7 SER HB3 H 3.937 0.04 2 44 1 7 SER CA C 58.018 0.4 1 45 1 7 SER CB C 64.057 0.4 1 46 5 11 LYS HA H 4.271 0.04 1 47 5 11 LYS HB2 H 1.812 0.04 2 48 5 11 LYS HB3 H 1.731 0.04 2 49 5 11 LYS HD2 H 1.667 0.04 2 50 5 11 LYS HD3 H 1.667 0.04 2 51 5 11 LYS HE2 H 2.953 0.04 2 52 5 11 LYS HE3 H 2.953 0.04 2 53 5 11 LYS HG2 H 1.354 0.04 2 54 5 11 LYS HG3 H 1.341 0.04 2 55 5 11 LYS C C 179.099 0.4 1 56 5 11 LYS CA C 56.242 0.4 1 57 5 11 LYS CB C 32.984 0.4 1 58 5 11 LYS CD C 29.318 0.4 1 59 5 11 LYS CE C 41.806 0.4 1 60 5 11 LYS CG C 24.891 0.4 1 61 6 12 LEU H H 8.322 0.04 1 62 6 12 LEU HA H 4.332 0.04 1 63 6 12 LEU HB2 H 1.625 0.04 2 64 6 12 LEU HB3 H 1.513 0.04 2 65 6 12 LEU HD1 H 0.913 0.04 2 66 6 12 LEU HD2 H 0.865 0.04 2 67 6 12 LEU HG H 1.634 0.04 1 68 6 12 LEU C C 176.590 0.4 1 69 6 12 LEU CA C 55.057 0.4 1 70 6 12 LEU CB C 42.169 0.4 1 71 6 12 LEU CD1 C 24.968 0.4 2 72 6 12 LEU CD2 C 23.416 0.4 2 73 6 12 LEU CG C 26.961 0.4 1 74 6 12 LEU N N 123.563 0.4 1 75 7 13 SER H H 8.136 0.04 1 76 7 13 SER HA H 4.471 0.04 1 77 7 13 SER HB2 H 4.034 0.04 2 78 7 13 SER HB3 H 3.942 0.04 2 79 7 13 SER C C 175.268 0.4 1 80 7 13 SER CA C 58.018 0.4 1 81 7 13 SER CB C 63.263 0.4 1 82 7 13 SER N N 116.180 0.4 1 83 8 14 PHE H H 8.632 0.04 1 84 8 14 PHE HA H 3.564 0.04 1 85 8 14 PHE HB2 H 2.686 0.04 2 86 8 14 PHE HB3 H 1.928 0.04 2 87 8 14 PHE HD1 H 6.041 0.04 3 88 8 14 PHE HD2 H 6.041 0.04 3 89 8 14 PHE HE1 H 6.767 0.04 3 90 8 14 PHE HE2 H 6.767 0.04 3 91 8 14 PHE C C 176.849 0.4 1 92 8 14 PHE CA C 61.414 0.4 1 93 8 14 PHE CB C 37.980 0.4 1 94 8 14 PHE N N 124.055 0.4 1 95 9 15 GLU H H 8.095 0.04 1 96 9 15 GLU HA H 3.698 0.04 1 97 9 15 GLU HB2 H 2.028 0.04 2 98 9 15 GLU HB3 H 1.994 0.04 2 99 9 15 GLU HG2 H 2.343 0.04 2 100 9 15 GLU HG3 H 2.372 0.04 2 101 9 15 GLU C C 178.582 0.4 1 102 9 15 GLU CA C 58.585 0.4 1 103 9 15 GLU CB C 28.761 0.4 1 104 9 15 GLU CG C 35.937 0.4 1 105 9 15 GLU N N 117.930 0.4 1 106 10 16 ALA H H 7.502 0.04 1 107 10 16 ALA HA H 4.167 0.04 1 108 10 16 ALA HB H 1.402 0.04 1 109 10 16 ALA C C 178.886 0.4 1 110 10 16 ALA CA C 55.287 0.4 1 111 10 16 ALA CB C 17.934 0.4 1 112 10 16 ALA N N 121.703 0.4 1 113 11 17 VAL H H 8.105 0.04 1 114 11 17 VAL HA H 3.375 0.04 1 115 11 17 VAL HB H 2.203 0.04 1 116 11 17 VAL HG1 H 0.932 0.04 2 117 11 17 VAL HG2 H 0.905 0.04 2 118 11 17 VAL C C 177.305 0.4 1 119 11 17 VAL CA C 67.619 0.4 1 120 11 17 VAL CB C 30.700 0.4 1 121 11 17 VAL CG1 C 24.165 0.4 2 122 11 17 VAL CG2 C 21.181 0.4 2 123 11 17 VAL N N 119.625 0.4 1 124 12 18 ARG H H 8.491 0.04 1 125 12 18 ARG HA H 3.681 0.04 1 126 12 18 ARG HB2 H 1.745 0.04 2 127 12 18 ARG HB3 H 1.302 0.04 2 128 12 18 ARG HD2 H 3.011 0.04 2 129 12 18 ARG HD3 H 3.093 0.04 2 130 12 18 ARG HG2 H 1.296 0.04 2 131 12 18 ARG HG3 H 1.396 0.04 2 132 12 18 ARG C C 178.187 0.4 1 133 12 18 ARG CA C 59.882 0.4 1 134 12 18 ARG CB C 29.364 0.4 1 135 12 18 ARG CD C 43.543 0.4 1 136 12 18 ARG CG C 26.889 0.4 1 137 12 18 ARG N N 120.719 0.4 1 138 13 19 ASN H H 7.904 0.04 1 139 13 19 ASN HA H 4.461 0.04 1 140 13 19 ASN HB2 H 2.998 0.04 2 141 13 19 ASN HB3 H 2.775 0.04 2 142 13 19 ASN C C 178.004 0.4 1 143 13 19 ASN CA C 56.129 0.4 1 144 13 19 ASN CB C 38.435 0.4 1 145 13 19 ASN N N 118.805 0.4 1 146 14 20 ILE H H 8.470 0.04 1 147 14 20 ILE HA H 3.466 0.04 1 148 14 20 ILE HB H 1.899 0.04 1 149 14 20 ILE HD1 H 0.660 0.04 1 150 14 20 ILE HG12 H 1.872 0.04 2 151 14 20 ILE HG13 H 0.696 0.04 2 152 14 20 ILE HG2 H 0.704 0.04 1 153 14 20 ILE C C 176.727 0.4 1 154 14 20 ILE CA C 65.824 0.4 1 155 14 20 ILE CB C 38.130 0.4 1 156 14 20 ILE CD1 C 13.941 0.4 1 157 14 20 ILE CG1 C 28.312 0.4 1 158 14 20 ILE CG2 C 17.905 0.4 1 159 14 20 ILE N N 124.246 0.4 1 160 15 21 HIS H H 8.315 0.04 1 161 15 21 HIS HA H 3.439 0.04 1 162 15 21 HIS HB2 H 3.333 0.04 2 163 15 21 HIS HB3 H 2.889 0.04 2 164 15 21 HIS HD2 H 6.440 0.04 1 165 15 21 HIS C C 177.290 0.4 1 166 15 21 HIS CA C 62.247 0.4 1 167 15 21 HIS CB C 31.611 0.4 1 168 15 21 HIS N N 120.008 0.4 1 169 16 22 LYS H H 8.065 0.04 1 170 16 22 LYS HA H 4.035 0.04 1 171 16 22 LYS HB2 H 1.906 0.04 2 172 16 22 LYS HB3 H 2.007 0.04 2 173 16 22 LYS HD2 H 2.172 0.04 2 174 16 22 LYS HD3 H 1.516 0.04 2 175 16 22 LYS HE2 H 3.007 0.04 2 176 16 22 LYS HE3 H 2.751 0.04 2 177 16 22 LYS HG2 H 1.714 0.04 2 178 16 22 LYS HG3 H 1.296 0.04 2 179 16 22 LYS C C 178.932 0.4 1 180 16 22 LYS CA C 59.293 0.4 1 181 16 22 LYS CB C 32.849 0.4 1 182 16 22 LYS CD C 29.464 0.4 1 183 16 22 LYS CE C 41.936 0.4 1 184 16 22 LYS CG C 25.098 0.4 1 185 16 22 LYS N N 116.289 0.4 1 186 17 23 LEU H H 7.496 0.04 1 187 17 23 LEU HA H 4.084 0.04 1 188 17 23 LEU HB2 H 1.960 0.04 2 189 17 23 LEU HB3 H 1.800 0.04 2 190 17 23 LEU HD1 H 1.043 0.04 2 191 17 23 LEU HD2 H 0.993 0.04 2 192 17 23 LEU HG H 1.970 0.04 1 193 17 23 LEU C C 178.324 0.4 1 194 17 23 LEU CA C 57.203 0.4 1 195 17 23 LEU CB C 42.032 0.4 1 196 17 23 LEU CD1 C 24.855 0.4 2 197 17 23 LEU CD2 C 23.607 0.4 2 198 17 23 LEU CG C 26.366 0.4 1 199 17 23 LEU N N 118.039 0.4 1 200 18 24 MET H H 7.060 0.04 1 201 18 24 MET HA H 3.798 0.04 1 202 18 24 MET HB2 H 1.430 0.04 2 203 18 24 MET HB3 H 1.722 0.04 2 204 18 24 MET HE H 1.304 0.04 1 205 18 24 MET HG2 H 1.952 0.04 2 206 18 24 MET HG3 H 0.317 0.04 2 207 18 24 MET C C 177.472 0.4 1 208 18 24 MET CA C 57.468 0.4 1 209 18 24 MET CB C 36.316 0.4 1 210 18 24 MET CE C 16.015 0.4 1 211 18 24 MET CG C 30.270 0.4 1 212 18 24 MET N N 114.649 0.4 1 213 19 25 ASP H H 7.655 0.04 1 214 19 25 ASP HA H 4.385 0.04 1 215 19 25 ASP HB2 H 2.753 0.04 2 216 19 25 ASP HB3 H 1.893 0.04 2 217 19 25 ASP C C 176.697 0.4 1 218 19 25 ASP CA C 52.362 0.4 1 219 19 25 ASP CB C 39.108 0.4 1 220 19 25 ASP N N 117.109 0.4 1 221 20 26 ASP H H 7.688 0.04 1 222 20 26 ASP HA H 4.336 0.04 1 223 20 26 ASP HB2 H 2.925 0.04 2 224 20 26 ASP HB3 H 2.791 0.04 2 225 20 26 ASP C C 177.244 0.4 1 226 20 26 ASP CA C 57.204 0.4 1 227 20 26 ASP CB C 40.759 0.4 1 228 20 26 ASP N N 127.938 0.4 1 229 21 27 ASP H H 7.918 0.04 1 230 21 27 ASP HA H 4.565 0.04 1 231 21 27 ASP HB2 H 3.138 0.04 2 232 21 27 ASP HB3 H 2.662 0.04 2 233 21 27 ASP C C 178.871 0.4 1 234 21 27 ASP CA C 53.067 0.4 1 235 21 27 ASP CB C 39.080 0.4 1 236 21 27 ASP N N 114.266 0.4 1 237 22 28 ALA H H 8.066 0.04 1 238 22 28 ALA HA H 4.045 0.04 1 239 22 28 ALA HB H 1.442 0.04 1 240 22 28 ALA C C 176.560 0.4 1 241 22 28 ALA CA C 52.902 0.4 1 242 22 28 ALA CB C 16.937 0.4 1 243 22 28 ALA N N 119.516 0.4 1 244 23 29 ASN H H 8.183 0.04 1 245 23 29 ASN HA H 4.735 0.04 1 246 23 29 ASN HB2 H 3.397 0.04 2 247 23 29 ASN HB3 H 2.643 0.04 2 248 23 29 ASN C C 176.910 0.4 1 249 23 29 ASN CA C 52.331 0.4 1 250 23 29 ASN CB C 37.662 0.4 1 251 23 29 ASN N N 116.617 0.4 1 252 24 30 GLY H H 10.384 0.04 1 253 24 30 GLY HA2 H 4.464 0.04 2 254 24 30 GLY HA3 H 3.557 0.04 2 255 24 30 GLY C C 172.942 0.4 1 256 24 30 GLY CA C 45.271 0.4 1 257 24 30 GLY N N 113.281 0.4 1 258 25 31 ASP H H 7.729 0.04 1 259 25 31 ASP HA H 5.451 0.04 1 260 25 31 ASP HB2 H 2.288 0.04 2 261 25 31 ASP HB3 H 1.972 0.04 2 262 25 31 ASP C C 175.161 0.4 1 263 25 31 ASP CA C 52.617 0.4 1 264 25 31 ASP CB C 46.607 0.4 1 265 25 31 ASP N N 119.188 0.4 1 266 26 32 VAL H H 9.754 0.04 1 267 26 32 VAL HA H 4.568 0.04 1 268 26 32 VAL HB H 2.157 0.04 1 269 26 32 VAL HG1 H 1.085 0.04 2 270 26 32 VAL HG2 H 0.357 0.04 2 271 26 32 VAL C C 175.177 0.4 1 272 26 32 VAL CA C 62.304 0.4 1 273 26 32 VAL CB C 31.940 0.4 1 274 26 32 VAL CG1 C 22.537 0.4 2 275 26 32 VAL CG2 C 22.037 0.4 2 276 26 32 VAL N N 127.938 0.4 1 277 27 33 ASP H H 9.213 0.04 1 278 27 33 ASP HA H 5.558 0.04 1 279 27 33 ASP HB2 H 3.651 0.04 2 280 27 33 ASP HB3 H 2.415 0.04 2 281 27 33 ASP C C 175.648 0.4 1 282 27 33 ASP CA C 52.052 0.4 1 283 27 33 ASP CB C 42.585 0.4 1 284 27 33 ASP N N 131.711 0.4 1 285 28 34 VAL H H 7.761 0.04 1 286 28 34 VAL HA H 4.473 0.04 1 287 28 34 VAL HB H 2.158 0.04 1 288 28 34 VAL HG1 H 0.512 0.04 2 289 28 34 VAL HG2 H 0.974 0.04 2 290 28 34 VAL C C 180.011 0.4 1 291 28 34 VAL CA C 63.499 0.4 1 292 28 34 VAL CB C 31.965 0.4 1 293 28 34 VAL CG1 C 19.836 0.4 2 294 28 34 VAL CG2 C 18.495 0.4 2 295 28 34 VAL N N 106.938 0.4 1 296 29 35 GLU H H 8.433 0.04 1 297 29 35 GLU HA H 4.356 0.04 1 298 29 35 GLU HB2 H 2.257 0.04 2 299 29 35 GLU HB3 H 2.212 0.04 2 300 29 35 GLU HG2 H 2.368 0.04 2 301 29 35 GLU HG3 H 2.226 0.04 2 302 29 35 GLU C C 178.810 0.4 1 303 29 35 GLU CA C 58.813 0.4 1 304 29 35 GLU CB C 29.485 0.4 1 305 29 35 GLU CG C 36.825 0.4 1 306 29 35 GLU N N 123.836 0.4 1 307 30 36 GLU H H 9.174 0.04 1 308 30 36 GLU HA H 4.048 0.04 1 309 30 36 GLU HB2 H 2.523 0.04 2 310 30 36 GLU HB3 H 2.273 0.04 2 311 30 36 GLU HG2 H 2.973 0.04 2 312 30 36 GLU HG3 H 2.347 0.04 2 313 30 36 GLU C C 181.394 0.4 1 314 30 36 GLU CA C 58.884 0.4 1 315 30 36 GLU CB C 29.958 0.4 1 316 30 36 GLU CG C 37.638 0.4 1 317 30 36 GLU N N 122.469 0.4 1 318 31 37 SER H H 9.263 0.04 1 319 31 37 SER HA H 4.470 0.04 1 320 31 37 SER HB2 H 3.960 0.04 2 321 31 37 SER HB3 H 3.850 0.04 2 322 31 37 SER CA C 58.499 0.4 1 323 31 37 SER CB C 61.546 0.4 1 324 31 37 SER N N 117.438 0.4 1 325 32 38 ASP C C 177.837 0.4 1 326 33 39 GLU HA H 4.049 0.04 1 327 33 39 GLU HB2 H 2.284 0.04 2 328 33 39 GLU HB3 H 2.156 0.04 2 329 33 39 GLU HG2 H 2.393 0.04 2 330 33 39 GLU HG3 H 2.252 0.04 2 331 33 39 GLU C C 177.472 0.4 1 332 33 39 GLU CA C 59.490 0.4 1 333 33 39 GLU CB C 30.543 0.4 1 334 33 39 GLU CG C 36.531 0.4 1 335 34 40 PHE H H 7.989 0.04 1 336 34 40 PHE HA H 4.765 0.04 1 337 34 40 PHE HB2 H 3.452 0.04 2 338 34 40 PHE HB3 H 3.071 0.04 2 339 34 40 PHE HD1 H 7.247 0.04 3 340 34 40 PHE HD2 H 7.225 0.04 3 341 34 40 PHE HE1 H 7.379 0.04 3 342 34 40 PHE HE2 H 7.379 0.04 3 343 34 40 PHE C C 178.141 0.4 1 344 34 40 PHE CA C 60.795 0.4 1 345 34 40 PHE CB C 40.034 0.4 1 346 34 40 PHE N N 120.325 0.4 1 347 35 41 LEU H H 8.261 0.04 1 348 35 41 LEU HA H 3.757 0.04 1 349 35 41 LEU HB2 H 1.078 0.04 2 350 35 41 LEU HB3 H 2.129 0.04 2 351 35 41 LEU HD1 H 0.695 0.04 2 352 35 41 LEU HD2 H -0.174 0.04 2 353 35 41 LEU HG H 1.422 0.04 1 354 35 41 LEU C C 177.776 0.4 1 355 35 41 LEU CA C 58.668 0.4 1 356 35 41 LEU CB C 42.740 0.4 1 357 35 41 LEU CD1 C 24.786 0.4 2 358 35 41 LEU CD2 C 24.631 0.4 2 359 35 41 LEU CG C 28.851 0.4 1 360 35 41 LEU N N 117.930 0.4 1 361 36 42 ARG H H 7.864 0.04 1 362 36 42 ARG HA H 4.420 0.04 1 363 36 42 ARG HB2 H 1.838 0.04 2 364 36 42 ARG HB3 H 1.795 0.04 2 365 36 42 ARG HD2 H 3.220 0.04 2 366 36 42 ARG HD3 H 3.031 0.04 2 367 36 42 ARG HG2 H 1.795 0.04 2 368 36 42 ARG HG3 H 1.582 0.04 2 369 36 42 ARG C C 178.476 0.4 1 370 36 42 ARG CA C 58.676 0.4 1 371 36 42 ARG CB C 32.129 0.4 1 372 36 42 ARG CD C 42.933 0.4 1 373 36 42 ARG CG C 29.257 0.4 1 374 36 42 ARG N N 115.414 0.4 1 375 37 43 GLU H H 9.007 0.04 1 376 37 43 GLU HA H 4.192 0.04 1 377 37 43 GLU HB2 H 1.892 0.04 2 378 37 43 GLU HB3 H 2.096 0.04 2 379 37 43 GLU HG2 H 2.452 0.04 2 380 37 43 GLU HG3 H 2.157 0.04 2 381 37 43 GLU C C 176.773 0.4 1 382 37 43 GLU CA C 57.126 0.4 1 383 37 43 GLU CB C 29.646 0.4 1 384 37 43 GLU CG C 36.014 0.4 1 385 37 43 GLU N N 116.836 0.4 1 386 38 44 ASP H H 8.167 0.04 1 387 38 44 ASP HA H 4.271 0.04 1 388 38 44 ASP HB2 H 1.700 0.04 2 389 38 44 ASP HB3 H 1.676 0.04 2 390 38 44 ASP C C 177.639 0.4 1 391 38 44 ASP CA C 56.781 0.4 1 392 38 44 ASP CB C 39.807 0.4 1 393 38 44 ASP N N 119.188 0.4 1 394 39 45 LEU H H 7.161 0.04 1 395 39 45 LEU HA H 4.485 0.04 1 396 39 45 LEU HB2 H 1.823 0.04 2 397 39 45 LEU HB3 H 2.072 0.04 2 398 39 45 LEU HD1 H 1.239 0.04 2 399 39 45 LEU HD2 H 0.973 0.04 2 400 39 45 LEU C C 176.028 0.4 1 401 39 45 LEU CA C 53.733 0.4 1 402 39 45 LEU CB C 42.020 0.4 1 403 39 45 LEU CD1 C 27.592 0.4 2 404 39 45 LEU CD2 C 23.248 0.4 2 405 39 45 LEU N N 112.953 0.4 1 406 40 46 ASN H H 6.735 0.04 1 407 40 46 ASN HA H 4.341 0.04 1 408 40 46 ASN HB2 H 2.471 0.04 2 409 40 46 ASN HB3 H 2.966 0.04 2 410 40 46 ASN C C 174.508 0.4 1 411 40 46 ASN CA C 54.296 0.4 1 412 40 46 ASN CB C 37.629 0.4 1 413 40 46 ASN N N 112.734 0.4 1 414 41 47 TYR H H 8.797 0.04 1 415 41 47 TYR HA H 4.468 0.04 1 416 41 47 TYR HB2 H 3.003 0.04 2 417 41 47 TYR HB3 H 2.785 0.04 2 418 41 47 TYR HD1 H 7.047 0.04 3 419 41 47 TYR HD2 H 7.047 0.04 3 420 41 47 TYR HE1 H 6.793 0.04 3 421 41 47 TYR HE2 H 6.793 0.04 3 422 41 47 TYR CA C 59.098 0.4 1 423 41 47 TYR CB C 38.391 0.4 1 424 41 47 TYR N N 118.149 0.4 1 425 43 49 ASP HA H 5.075 0.04 1 426 43 49 ASP HB2 H 2.880 0.04 2 427 43 49 ASP HB3 H 2.487 0.04 2 428 43 49 ASP CA C 50.643 0.4 1 429 43 49 ASP CB C 40.734 0.4 1 430 44 50 PRO HA H 4.393 0.04 1 431 44 50 PRO HB2 H 1.797 0.04 2 432 44 50 PRO HB3 H 2.150 0.04 2 433 44 50 PRO HD2 H 3.397 0.04 2 434 44 50 PRO HD3 H 3.821 0.04 2 435 44 50 PRO HG2 H 1.886 0.04 2 436 44 50 PRO HG3 H 1.829 0.04 2 437 44 50 PRO C C 175.466 0.4 1 438 44 50 PRO CA C 62.989 0.4 1 439 44 50 PRO CB C 33.691 0.4 1 440 44 50 PRO CD C 49.858 0.4 1 441 44 50 PRO CG C 26.195 0.4 1 442 45 51 THR H H 7.693 0.04 1 443 45 51 THR HA H 3.858 0.04 1 444 45 51 THR HB H 4.135 0.04 1 445 45 51 THR HG2 H 1.247 0.04 1 446 45 51 THR C C 176.183 0.4 1 447 45 51 THR CA C 67.226 0.4 1 448 45 51 THR CB C 68.806 0.4 1 449 45 51 THR CG2 C 21.217 0.4 1 450 45 51 THR N N 114.320 0.4 1 451 46 52 VAL H H 8.364 0.04 1 452 46 52 VAL HA H 3.852 0.04 1 453 46 52 VAL HB H 2.050 0.04 1 454 46 52 VAL HG1 H 0.959 0.04 2 455 46 52 VAL HG2 H 1.046 0.04 2 456 46 52 VAL C C 178.947 0.4 1 457 46 52 VAL CA C 66.354 0.4 1 458 46 52 VAL CB C 31.485 0.4 1 459 46 52 VAL CG1 C 20.923 0.4 2 460 46 52 VAL CG2 C 22.365 0.4 2 461 46 52 VAL N N 122.113 0.4 1 462 47 53 LYS H H 7.972 0.04 1 463 47 53 LYS HA H 4.053 0.04 1 464 47 53 LYS HB2 H 1.293 0.04 2 465 47 53 LYS HB3 H 1.213 0.04 2 466 47 53 LYS HD2 H 1.267 0.04 2 467 47 53 LYS HD3 H 1.187 0.04 2 468 47 53 LYS HE2 H 2.910 0.04 2 469 47 53 LYS HE3 H 2.847 0.04 2 470 47 53 LYS HG2 H 1.264 0.04 2 471 47 53 LYS HG3 H 1.109 0.04 2 472 47 53 LYS C C 178.308 0.4 1 473 47 53 LYS CA C 58.343 0.4 1 474 47 53 LYS CB C 31.743 0.4 1 475 47 53 LYS CD C 28.232 0.4 1 476 47 53 LYS CE C 42.021 0.4 1 477 47 53 LYS CG C 25.666 0.4 1 478 47 53 LYS N N 120.938 0.4 1 479 48 54 HIS H H 8.792 0.04 1 480 48 54 HIS HA H 3.998 0.04 1 481 48 54 HIS HB2 H 3.202 0.04 2 482 48 54 HIS HB3 H 3.027 0.04 2 483 48 54 HIS HD2 H 7.018 0.04 1 484 48 54 HIS C C 176.955 0.4 1 485 48 54 HIS CA C 61.365 0.4 1 486 48 54 HIS CB C 31.811 0.4 1 487 48 54 HIS N N 120.227 0.4 1 488 49 55 SER H H 8.215 0.04 1 489 49 55 SER HA H 4.428 0.04 1 490 49 55 SER HB2 H 4.155 0.04 2 491 49 55 SER HB3 H 4.104 0.04 2 492 49 55 SER C C 178.095 0.4 1 493 49 55 SER CA C 61.029 0.4 1 494 49 55 SER CB C 62.713 0.4 1 495 49 55 SER N N 112.265 0.4 1 496 50 56 THR H H 8.215 0.04 1 497 50 56 THR HA H 4.056 0.04 1 498 50 56 THR HB H 4.461 0.04 1 499 50 56 THR HG2 H 1.395 0.04 1 500 50 56 THR CA C 65.655 0.4 1 501 50 56 THR CB C 68.613 0.4 1 502 50 56 THR CG2 C 21.713 0.4 1 503 50 56 THR N N 118.641 0.4 1 504 51 57 PHE H H 8.415 0.04 1 505 51 57 PHE HA H 4.236 0.04 1 506 51 57 PHE HB2 H 3.486 0.04 2 507 51 57 PHE HB3 H 3.193 0.04 2 508 51 57 PHE HD1 H 6.684 0.04 3 509 51 57 PHE HD2 H 6.684 0.04 3 510 51 57 PHE HE1 H 7.336 0.04 3 511 51 57 PHE HE2 H 7.336 0.04 3 512 51 57 PHE C C 175.663 0.4 1 513 51 57 PHE CA C 61.018 0.4 1 514 51 57 PHE CB C 39.579 0.4 1 515 51 57 PHE N N 123.634 0.4 1 516 52 58 HIS H H 7.375 0.04 1 517 52 58 HIS HA H 4.214 0.04 1 518 52 58 HIS HB2 H 2.888 0.04 2 519 52 58 HIS HB3 H 2.706 0.04 2 520 52 58 HIS HD2 H 6.208 0.04 1 521 52 58 HIS C C 177.639 0.4 1 522 52 58 HIS CA C 58.219 0.4 1 523 52 58 HIS CB C 29.268 0.4 1 524 52 58 HIS N N 111.641 0.4 1 525 53 59 GLY H H 8.346 0.04 1 526 53 59 GLY HA2 H 3.779 0.04 2 527 53 59 GLY HA3 H 3.965 0.04 2 528 53 59 GLY C C 175.709 0.4 1 529 53 59 GLY CA C 47.198 0.4 1 530 53 59 GLY N N 110.164 0.4 1 531 54 60 GLU H H 8.936 0.04 1 532 54 60 GLU HA H 4.314 0.04 1 533 54 60 GLU HB2 H 2.242 0.04 2 534 54 60 GLU HB3 H 1.848 0.04 2 535 54 60 GLU HG2 H 2.236 0.04 2 536 54 60 GLU HG3 H 2.223 0.04 2 537 54 60 GLU C C 175.131 0.4 1 538 54 60 GLU CA C 56.290 0.4 1 539 54 60 GLU CB C 29.998 0.4 1 540 54 60 GLU CG C 36.265 0.4 1 541 54 60 GLU N N 124.438 0.4 1 542 55 61 ASP H H 8.183 0.04 1 543 55 61 ASP HA H 4.762 0.04 1 544 55 61 ASP HB2 H 3.148 0.04 2 545 55 61 ASP HB3 H 2.375 0.04 2 546 55 61 ASP C C 174.842 0.4 1 547 55 61 ASP CA C 52.660 0.4 1 548 55 61 ASP CB C 40.830 0.4 1 549 55 61 ASP N N 121.375 0.4 1 550 56 62 LYS H H 8.520 0.04 1 551 56 62 LYS HA H 3.877 0.04 1 552 56 62 LYS HB2 H 2.066 0.04 2 553 56 62 LYS HB3 H 1.774 0.04 2 554 56 62 LYS HD2 H 1.528 0.04 2 555 56 62 LYS HD3 H 1.516 0.04 2 556 56 62 LYS HE2 H 2.987 0.04 2 557 56 62 LYS HE3 H 2.970 0.04 2 558 56 62 LYS HG2 H 1.537 0.04 2 559 56 62 LYS HG3 H 1.369 0.04 2 560 56 62 LYS C C 174.933 0.4 1 561 56 62 LYS CA C 56.787 0.4 1 562 56 62 LYS CB C 32.152 0.4 1 563 56 62 LYS CD C 28.197 0.4 1 564 56 62 LYS CE C 42.122 0.4 1 565 56 62 LYS CG C 25.199 0.4 1 566 56 62 LYS N N 123.399 0.4 1 567 57 63 LEU H H 7.790 0.04 1 568 57 63 LEU HA H 4.766 0.04 1 569 57 63 LEU HB2 H 1.782 0.04 2 570 57 63 LEU HB3 H 1.119 0.04 2 571 57 63 LEU HD1 H 1.418 0.04 2 572 57 63 LEU HD2 H 0.960 0.04 2 573 57 63 LEU HG H 1.962 0.04 1 574 57 63 LEU C C 174.219 0.4 1 575 57 63 LEU CA C 52.569 0.4 1 576 57 63 LEU CB C 44.036 0.4 1 577 57 63 LEU CD1 C 25.999 0.4 2 578 57 63 LEU CD2 C 23.369 0.4 2 579 57 63 LEU CG C 23.612 0.4 1 580 57 63 LEU N N 119.899 0.4 1 581 58 64 ILE H H 9.143 0.04 1 582 58 64 ILE HA H 4.789 0.04 1 583 58 64 ILE HB H 2.223 0.04 1 584 58 64 ILE HD1 H 0.492 0.04 1 585 58 64 ILE HG12 H 0.702 0.04 2 586 58 64 ILE HG13 H 1.264 0.04 2 587 58 64 ILE HG2 H 0.828 0.04 1 588 58 64 ILE C C 176.454 0.4 1 589 58 64 ILE CA C 58.031 0.4 1 590 58 64 ILE CB C 36.706 0.4 1 591 58 64 ILE CD1 C 9.064 0.4 1 592 58 64 ILE CG1 C 26.077 0.4 1 593 58 64 ILE CG2 C 16.603 0.4 1 594 58 64 ILE N N 127.500 0.4 1 595 59 65 SER H H 10.131 0.04 1 596 59 65 SER HA H 5.397 0.04 1 597 59 65 SER HB2 H 4.413 0.04 2 598 59 65 SER HB3 H 4.248 0.04 2 599 59 65 SER C C 174.949 0.4 1 600 59 65 SER CA C 57.685 0.4 1 601 59 65 SER CB C 65.639 0.4 1 602 59 65 SER N N 132.859 0.4 1 603 60 66 VAL H H 8.750 0.04 1 604 60 66 VAL HA H 3.120 0.04 1 605 60 66 VAL HB H 1.679 0.04 1 606 60 66 VAL HG1 H 0.447 0.04 2 607 60 66 VAL HG2 H 0.651 0.04 2 608 60 66 VAL C C 177.062 0.4 1 609 60 66 VAL CA C 67.167 0.4 1 610 60 66 VAL CB C 30.840 0.4 1 611 60 66 VAL CG1 C 23.149 0.4 2 612 60 66 VAL CG2 C 21.451 0.4 2 613 60 66 VAL N N 121.703 0.4 1 614 61 67 GLU H H 8.235 0.04 1 615 61 67 GLU HA H 4.091 0.04 1 616 61 67 GLU HB2 H 1.674 0.04 2 617 61 67 GLU HB3 H 2.038 0.04 2 618 61 67 GLU HG2 H 2.400 0.04 2 619 61 67 GLU HG3 H 2.339 0.04 2 620 61 67 GLU CA C 60.192 0.4 1 621 61 67 GLU CB C 28.968 0.4 1 622 61 67 GLU CG C 37.046 0.4 1 623 61 67 GLU N N 119.297 0.4 1 624 62 68 ASP HA H 4.784 0.04 1 625 62 68 ASP HB2 H 2.918 0.04 2 626 62 68 ASP HB3 H 2.853 0.04 2 627 62 68 ASP CA C 53.085 0.4 1 628 62 68 ASP CB C 38.388 0.4 1 629 63 69 LEU HA H 4.044 0.04 1 630 63 69 LEU HB2 H 1.940 0.04 2 631 63 69 LEU HB3 H 1.441 0.04 2 632 63 69 LEU HD1 H 0.898 0.04 2 633 63 69 LEU HD2 H 0.983 0.04 2 634 63 69 LEU HG H 1.654 0.04 1 635 63 69 LEU CA C 57.468 0.4 1 636 63 69 LEU CB C 42.375 0.4 1 637 63 69 LEU CD1 C 26.481 0.4 2 638 63 69 LEU CD2 C 24.218 0.4 2 639 63 69 LEU CG C 26.701 0.4 1 640 64 70 TRP H H 8.849 0.04 1 641 64 70 TRP HA H 4.515 0.04 1 642 64 70 TRP HB2 H 2.314 0.04 2 643 64 70 TRP HB3 H 2.250 0.04 2 644 64 70 TRP HD1 H 6.880 0.04 1 645 64 70 TRP HE3 H 6.903 0.04 1 646 64 70 TRP C C 178.080 0.4 1 647 64 70 TRP CA C 59.098 0.4 1 648 64 70 TRP CB C 30.260 0.4 1 649 64 70 TRP N N 120.281 0.4 1 650 65 71 LYS H H 8.015 0.04 1 651 65 71 LYS HA H 3.611 0.04 1 652 65 71 LYS HB2 H 1.892 0.04 2 653 65 71 LYS HB3 H 1.862 0.04 2 654 65 71 LYS HD2 H 1.673 0.04 2 655 65 71 LYS HD3 H 1.313 0.04 2 656 65 71 LYS HE2 H 3.015 0.04 2 657 65 71 LYS HE3 H 2.948 0.04 2 658 65 71 LYS HG2 H 1.565 0.04 2 659 65 71 LYS HG3 H 1.323 0.04 2 660 65 71 LYS C C 179.320 0.4 1 661 65 71 LYS CA C 59.569 0.4 1 662 65 71 LYS CB C 32.216 0.4 1 663 65 71 LYS CD C 29.376 0.4 1 664 65 71 LYS CE C 42.051 0.4 1 665 65 71 LYS CG C 25.243 0.4 1 666 65 71 LYS N N 120.117 0.4 1 667 66 72 ALA H H 7.893 0.04 1 668 66 72 ALA HA H 3.891 0.04 1 669 66 72 ALA HB H 1.452 0.04 1 670 66 72 ALA C C 180.178 0.4 1 671 66 72 ALA CA C 54.893 0.4 1 672 66 72 ALA CB C 17.791 0.4 1 673 66 72 ALA N N 122.797 0.4 1 674 67 73 TRP H H 8.486 0.04 1 675 67 73 TRP HA H 4.783 0.04 1 676 67 73 TRP HB2 H 3.296 0.04 2 677 67 73 TRP HB3 H 3.201 0.04 2 678 67 73 TRP HD1 H 6.538 0.04 1 679 67 73 TRP HE3 H 6.530 0.04 1 680 67 73 TRP C C 179.099 0.4 1 681 67 73 TRP CA C 59.011 0.4 1 682 67 73 TRP CB C 28.768 0.4 1 683 67 73 TRP N N 122.195 0.4 1 684 68 74 LYS H H 7.817 0.04 1 685 68 74 LYS HA H 2.011 0.04 1 686 68 74 LYS HB2 H 0.745 0.04 2 687 68 74 LYS HB3 H 0.948 0.04 2 688 68 74 LYS HD2 H 0.956 0.04 2 689 68 74 LYS HD3 H 0.757 0.04 2 690 68 74 LYS HE2 H 2.540 0.04 2 691 68 74 LYS HE3 H 2.430 0.04 2 692 68 74 LYS HG2 H 0.237 0.04 2 693 68 74 LYS HG3 H 0.071 0.04 2 694 68 74 LYS C C 176.682 0.4 1 695 68 74 LYS CA C 57.294 0.4 1 696 68 74 LYS CB C 30.557 0.4 1 697 68 74 LYS CD C 27.956 0.4 1 698 68 74 LYS CE C 40.857 0.4 1 699 68 74 LYS CG C 23.923 0.4 1 700 68 74 LYS N N 116.508 0.4 1 701 69 75 SER H H 6.992 0.04 1 702 69 75 SER HA H 4.236 0.04 1 703 69 75 SER HB2 H 3.829 0.04 2 704 69 75 SER HB3 H 3.782 0.04 2 705 69 75 SER C C 173.413 0.4 1 706 69 75 SER CA C 57.704 0.4 1 707 69 75 SER CB C 63.865 0.4 1 708 69 75 SER N N 111.805 0.4 1 709 70 76 SER H H 7.347 0.04 1 710 70 76 SER HA H 4.233 0.04 1 711 70 76 SER HB2 H 4.079 0.04 2 712 70 76 SER HB3 H 4.032 0.04 2 713 70 76 SER C C 174.949 0.4 1 714 70 76 SER CA C 58.251 0.4 1 715 70 76 SER CB C 64.835 0.4 1 716 70 76 SER N N 119.734 0.4 1 717 71 77 GLU H H 8.751 0.04 1 718 71 77 GLU HA H 4.069 0.04 1 719 71 77 GLU HB2 H 2.011 0.04 2 720 71 77 GLU HB3 H 2.068 0.04 2 721 71 77 GLU HG2 H 2.449 0.04 2 722 71 77 GLU HG3 H 2.342 0.04 2 723 71 77 GLU C C 179.236 0.4 1 724 71 77 GLU CA C 58.784 0.4 1 725 71 77 GLU CB C 29.526 0.4 1 726 71 77 GLU CG C 36.564 0.4 1 727 71 77 GLU N N 121.703 0.4 1 728 72 78 VAL H H 7.003 0.04 1 729 72 78 VAL HA H 1.218 0.04 1 730 72 78 VAL HB H 1.583 0.04 1 731 72 78 VAL HG1 H 0.177 0.04 2 732 72 78 VAL HG2 H -0.078 0.04 2 733 72 78 VAL C C 176.393 0.4 1 734 72 78 VAL CA C 63.438 0.4 1 735 72 78 VAL CB C 30.726 0.4 1 736 72 78 VAL CG1 C 21.503 0.4 2 737 72 78 VAL CG2 C 20.909 0.4 2 738 72 78 VAL N N 118.750 0.4 1 739 73 79 TYR H H 6.509 0.04 1 740 73 79 TYR HA H 3.058 0.04 1 741 73 79 TYR HB2 H 1.987 0.04 2 742 73 79 TYR HB3 H 1.254 0.04 2 743 73 79 TYR HD1 H 6.402 0.04 3 744 73 79 TYR HD2 H 6.402 0.04 3 745 73 79 TYR HE1 H 6.884 0.04 3 746 73 79 TYR HE2 H 6.884 0.04 3 747 73 79 TYR C C 175.466 0.4 1 748 73 79 TYR CA C 60.853 0.4 1 749 73 79 TYR CB C 38.135 0.4 1 750 73 79 TYR N N 118.805 0.4 1 751 74 80 ASN H H 6.717 0.04 1 752 74 80 ASN HA H 4.637 0.04 1 753 74 80 ASN HB2 H 3.066 0.04 2 754 74 80 ASN HB3 H 2.697 0.04 2 755 74 80 ASN C C 176.032 0.4 1 756 74 80 ASN CA C 52.945 0.4 1 757 74 80 ASN CB C 39.986 0.4 1 758 74 80 ASN N N 109.344 0.4 1 759 75 81 TRP H H 8.183 0.04 1 760 75 81 TRP HA H 5.228 0.04 1 761 75 81 TRP HB2 H 3.244 0.04 2 762 75 81 TRP HB3 H 3.178 0.04 2 763 75 81 TRP HD1 H 6.910 0.04 1 764 75 81 TRP HE3 H 7.117 0.04 1 765 75 81 TRP C C 179.114 0.4 1 766 75 81 TRP CA C 55.760 0.4 1 767 75 81 TRP CB C 29.953 0.4 1 768 75 81 TRP N N 123.016 0.4 1 769 76 82 THR H H 9.706 0.04 1 770 76 82 THR HA H 4.606 0.04 1 771 76 82 THR HB H 4.873 0.04 1 772 76 82 THR HG2 H 1.462 0.04 1 773 76 82 THR C C 175.587 0.4 1 774 76 82 THR CA C 60.336 0.4 1 775 76 82 THR CB C 71.765 0.4 1 776 76 82 THR CG2 C 21.743 0.4 1 777 76 82 THR N N 117.383 0.4 1 778 77 83 VAL H H 8.668 0.04 1 779 77 83 VAL HA H 4.137 0.04 1 780 77 83 VAL HB H 2.099 0.04 1 781 77 83 VAL HG1 H 0.863 0.04 2 782 77 83 VAL HG2 H 1.025 0.04 2 783 77 83 VAL C C 178.080 0.4 1 784 77 83 VAL CA C 65.584 0.4 1 785 77 83 VAL CB C 31.904 0.4 1 786 77 83 VAL CG1 C 21.854 0.4 2 787 77 83 VAL CG2 C 20.629 0.4 2 788 77 83 VAL N N 120.145 0.4 1 789 78 84 ASP H H 7.983 0.04 1 790 78 84 ASP HA H 4.281 0.04 1 791 78 84 ASP HB2 H 2.600 0.04 2 792 78 84 ASP HB3 H 2.520 0.04 2 793 78 84 ASP CA C 57.892 0.4 1 794 78 84 ASP CB C 41.032 0.4 1 795 78 84 ASP N N 117.274 0.4 1 796 79 85 GLU H H 7.643 0.04 1 797 79 85 GLU HA H 3.649 0.04 1 798 79 85 GLU HB2 H 2.119 0.04 2 799 79 85 GLU HB3 H 0.840 0.04 2 800 79 85 GLU HG2 H 2.124 0.04 2 801 79 85 GLU HG3 H 1.855 0.04 2 802 79 85 GLU C C 179.524 0.4 1 803 79 85 GLU CA C 59.474 0.4 1 804 79 85 GLU CB C 28.876 0.4 1 805 79 85 GLU CG C 38.399 0.4 1 806 79 85 GLU N N 121.047 0.4 1 807 80 86 VAL H H 8.568 0.04 1 808 80 86 VAL HA H 3.895 0.04 1 809 80 86 VAL HB H 2.662 0.04 1 810 80 86 VAL HG1 H 1.111 0.04 2 811 80 86 VAL HG2 H 1.261 0.04 2 812 80 86 VAL C C 178.536 0.4 1 813 80 86 VAL CA C 67.371 0.4 1 814 80 86 VAL CB C 31.385 0.4 1 815 80 86 VAL CG1 C 23.828 0.4 2 816 80 86 VAL CG2 C 22.360 0.4 2 817 80 86 VAL N N 124.000 0.4 1 818 81 87 VAL H H 8.748 0.04 1 819 81 87 VAL HA H 3.557 0.04 1 820 81 87 VAL HB H 2.255 0.04 1 821 81 87 VAL HG1 H 1.126 0.04 2 822 81 87 VAL HG2 H 0.910 0.04 2 823 81 87 VAL C C 177.275 0.4 1 824 81 87 VAL CA C 67.351 0.4 1 825 81 87 VAL CB C 31.035 0.4 1 826 81 87 VAL CG1 C 24.549 0.4 2 827 81 87 VAL CG2 C 22.739 0.4 2 828 81 87 VAL N N 120.828 0.4 1 829 82 88 GLN H H 8.065 0.04 1 830 82 88 GLN HA H 4.006 0.04 1 831 82 88 GLN HB2 H 2.016 0.04 2 832 82 88 GLN HB3 H 2.028 0.04 2 833 82 88 GLN HG2 H 2.364 0.04 2 834 82 88 GLN HG3 H 2.334 0.04 2 835 82 88 GLN C C 178.658 0.4 1 836 82 88 GLN CA C 59.021 0.4 1 837 82 88 GLN CB C 27.983 0.4 1 838 82 88 GLN CG C 33.570 0.4 1 839 82 88 GLN N N 119.078 0.4 1 840 83 89 TRP H H 7.827 0.04 1 841 83 89 TRP HA H 4.385 0.04 1 842 83 89 TRP HB2 H 3.969 0.04 2 843 83 89 TRP HB3 H 3.215 0.04 2 844 83 89 TRP HD1 H 7.440 0.04 1 845 83 89 TRP HE3 H 7.430 0.04 1 846 83 89 TRP C C 177.867 0.4 1 847 83 89 TRP CA C 61.058 0.4 1 848 83 89 TRP CB C 29.372 0.4 1 849 83 89 TRP N N 124.164 0.4 1 850 84 90 LEU H H 9.043 0.04 1 851 84 90 LEU HA H 3.294 0.04 1 852 84 90 LEU HB2 H 1.242 0.04 2 853 84 90 LEU HB3 H 2.243 0.04 2 854 84 90 LEU HD1 H 0.424 0.04 2 855 84 90 LEU HD2 H 0.015 0.04 2 856 84 90 LEU HG H 1.088 0.04 1 857 84 90 LEU C C 178.187 0.4 1 858 84 90 LEU CA C 57.422 0.4 1 859 84 90 LEU CB C 41.948 0.4 1 860 84 90 LEU CD1 C 22.780 0.4 2 861 84 90 LEU CD2 C 24.677 0.4 2 862 84 90 LEU CG C 26.098 0.4 1 863 84 90 LEU N N 125.422 0.4 1 864 85 91 ILE H H 8.373 0.04 1 865 85 91 ILE HA H 3.213 0.04 1 866 85 91 ILE HB H 1.785 0.04 1 867 85 91 ILE HD1 H 0.799 0.04 1 868 85 91 ILE HG12 H 1.818 0.04 2 869 85 91 ILE HG13 H 0.825 0.04 2 870 85 91 ILE HG2 H 0.832 0.04 1 871 85 91 ILE C C 177.761 0.4 1 872 85 91 ILE CA C 66.209 0.4 1 873 85 91 ILE CB C 39.178 0.4 1 874 85 91 ILE CD1 C 14.374 0.4 1 875 85 91 ILE CG1 C 28.961 0.4 1 876 85 91 ILE CG2 C 17.008 0.4 1 877 85 91 ILE N N 117.820 0.4 1 878 86 92 THR H H 8.519 0.04 1 879 86 92 THR HA H 4.076 0.04 1 880 86 92 THR HB H 4.064 0.04 1 881 86 92 THR HG2 H 1.061 0.04 1 882 86 92 THR C C 174.604 0.4 1 883 86 92 THR CA C 64.848 0.4 1 884 86 92 THR CB C 70.075 0.4 1 885 86 92 THR CG2 C 21.481 0.4 1 886 86 92 THR N N 111.094 0.4 1 887 87 93 TYR H H 8.372 0.04 1 888 87 93 TYR HA H 4.627 0.04 1 889 87 93 TYR HB2 H 2.933 0.04 2 890 87 93 TYR HB3 H 2.760 0.04 2 891 87 93 TYR HD1 H 7.123 0.04 3 892 87 93 TYR HD2 H 7.098 0.04 3 893 87 93 TYR HE1 H 7.013 0.04 3 894 87 93 TYR HE2 H 7.013 0.04 3 895 87 93 TYR C C 176.530 0.4 1 896 87 93 TYR CA C 59.650 0.4 1 897 87 93 TYR CB C 38.898 0.4 1 898 87 93 TYR N N 122.141 0.4 1 899 88 94 VAL H H 7.462 0.04 1 900 88 94 VAL HA H 3.133 0.04 1 901 88 94 VAL HB H 2.188 0.04 1 902 88 94 VAL HG1 H 0.686 0.04 2 903 88 94 VAL HG2 H -0.400 0.04 2 904 88 94 VAL C C 174.614 0.4 1 905 88 94 VAL CA C 63.843 0.4 1 906 88 94 VAL CB C 29.752 0.4 1 907 88 94 VAL CG1 C 22.651 0.4 2 908 88 94 VAL CG2 C 20.979 0.4 2 909 88 94 VAL N N 118.367 0.4 1 910 89 95 GLU H H 6.610 0.04 1 911 89 95 GLU HA H 3.896 0.04 1 912 89 95 GLU HB2 H 2.136 0.04 2 913 89 95 GLU HB3 H 1.980 0.04 2 914 89 95 GLU HG2 H 1.881 0.04 2 915 89 95 GLU HG3 H 1.719 0.04 2 916 89 95 GLU C C 175.922 0.4 1 917 89 95 GLU CA C 56.060 0.4 1 918 89 95 GLU CB C 26.928 0.4 1 919 89 95 GLU CG C 37.042 0.4 1 920 89 95 GLU N N 109.781 0.4 1 921 90 96 LEU H H 7.182 0.04 1 922 90 96 LEU HA H 4.999 0.04 1 923 90 96 LEU HB2 H 1.344 0.04 2 924 90 96 LEU HB3 H 1.444 0.04 2 925 90 96 LEU HD1 H 0.684 0.04 2 926 90 96 LEU HD2 H 0.439 0.04 2 927 90 96 LEU HG H 1.333 0.04 1 928 90 96 LEU CA C 51.971 0.4 1 929 90 96 LEU CB C 43.252 0.4 1 930 90 96 LEU CD1 C 26.692 0.4 2 931 90 96 LEU CD2 C 22.336 0.4 2 932 90 96 LEU CG C 25.199 0.4 1 933 90 96 LEU N N 117.055 0.4 1 934 91 97 PRO HA H 3.899 0.04 1 935 91 97 PRO HB2 H 2.033 0.04 2 936 91 97 PRO HB3 H 2.145 0.04 2 937 91 97 PRO HD2 H 3.182 0.04 2 938 91 97 PRO HD3 H 3.702 0.04 2 939 91 97 PRO HG2 H 1.990 0.04 2 940 91 97 PRO HG3 H 1.893 0.04 2 941 91 97 PRO C C 178.111 0.4 1 942 91 97 PRO CA C 64.240 0.4 1 943 91 97 PRO CB C 32.791 0.4 1 944 91 97 PRO CD C 50.659 0.4 1 945 91 97 PRO CG C 27.158 0.4 1 946 92 98 GLN H H 9.919 0.04 1 947 92 98 GLN HA H 4.250 0.04 1 948 92 98 GLN HB2 H 1.882 0.04 2 949 92 98 GLN HB3 H 1.765 0.04 2 950 92 98 GLN HG2 H 1.878 0.04 2 951 92 98 GLN HG3 H 1.244 0.04 2 952 92 98 GLN C C 176.955 0.4 1 953 92 98 GLN CA C 57.616 0.4 1 954 92 98 GLN CB C 27.049 0.4 1 955 92 98 GLN CG C 32.256 0.4 1 956 92 98 GLN N N 120.172 0.4 1 957 93 99 TYR H H 7.166 0.04 1 958 93 99 TYR HA H 4.939 0.04 1 959 93 99 TYR HB2 H 3.613 0.04 2 960 93 99 TYR HB3 H 2.579 0.04 2 961 93 99 TYR HD1 H 7.285 0.04 3 962 93 99 TYR HD2 H 7.261 0.04 3 963 93 99 TYR HE1 H 6.602 0.04 3 964 93 99 TYR HE2 H 6.564 0.04 3 965 93 99 TYR C C 174.375 0.4 1 966 93 99 TYR CA C 58.468 0.4 1 967 93 99 TYR CB C 37.745 0.4 1 968 93 99 TYR N N 117.875 0.4 1 969 94 100 GLU H H 7.809 0.04 1 970 94 100 GLU HA H 3.577 0.04 1 971 94 100 GLU HB2 H 2.072 0.04 2 972 94 100 GLU HB3 H 1.981 0.04 2 973 94 100 GLU HG2 H 2.258 0.04 2 974 94 100 GLU HG3 H 2.203 0.04 2 975 94 100 GLU C C 176.834 0.4 1 976 94 100 GLU CA C 60.888 0.4 1 977 94 100 GLU CB C 28.307 0.4 1 978 94 100 GLU CG C 35.829 0.4 1 979 94 100 GLU N N 122.961 0.4 1 980 95 101 GLU H H 8.981 0.04 1 981 95 101 GLU HA H 4.029 0.04 1 982 95 101 GLU HB2 H 2.033 0.04 2 983 95 101 GLU HB3 H 2.165 0.04 2 984 95 101 GLU HG2 H 2.362 0.04 2 985 95 101 GLU HG3 H 2.249 0.04 2 986 95 101 GLU C C 178.992 0.4 1 987 95 101 GLU CA C 60.332 0.4 1 988 95 101 GLU CB C 28.825 0.4 1 989 95 101 GLU CG C 36.351 0.4 1 990 95 101 GLU N N 118.094 0.4 1 991 96 102 THR H H 8.035 0.04 1 992 96 102 THR HA H 4.078 0.04 1 993 96 102 THR HB H 4.562 0.04 1 994 96 102 THR HG2 H 1.454 0.04 1 995 96 102 THR C C 175.496 0.4 1 996 96 102 THR CA C 66.625 0.4 1 997 96 102 THR CB C 68.796 0.4 1 998 96 102 THR CG2 C 22.504 0.4 1 999 96 102 THR N N 116.945 0.4 1 1000 97 103 PHE H H 8.532 0.04 1 1001 97 103 PHE HA H 3.983 0.04 1 1002 97 103 PHE HB2 H 3.484 0.04 2 1003 97 103 PHE HB3 H 3.158 0.04 2 1004 97 103 PHE HD1 H 7.490 0.04 3 1005 97 103 PHE HD2 H 7.490 0.04 3 1006 97 103 PHE HE1 H 6.797 0.04 3 1007 97 103 PHE HE2 H 6.797 0.04 3 1008 97 103 PHE C C 178.202 0.4 1 1009 97 103 PHE CA C 62.290 0.4 1 1010 97 103 PHE CB C 38.251 0.4 1 1011 97 103 PHE N N 123.125 0.4 1 1012 98 104 ARG H H 8.510 0.04 1 1013 98 104 ARG HA H 4.030 0.04 1 1014 98 104 ARG HB2 H 1.999 0.04 2 1015 98 104 ARG HB3 H 1.545 0.04 2 1016 98 104 ARG HD2 H 3.258 0.04 2 1017 98 104 ARG HD3 H 3.194 0.04 2 1018 98 104 ARG HG2 H 1.794 0.04 2 1019 98 104 ARG HG3 H 1.932 0.04 2 1020 98 104 ARG C C 180.209 0.4 1 1021 98 104 ARG CA C 59.950 0.4 1 1022 98 104 ARG CB C 29.567 0.4 1 1023 98 104 ARG CD C 42.660 0.4 1 1024 98 104 ARG CG C 29.535 0.4 1 1025 98 104 ARG N N 115.961 0.4 1 1026 99 105 LYS H H 8.642 0.04 1 1027 99 105 LYS HA H 4.111 0.04 1 1028 99 105 LYS HB2 H 2.077 0.04 2 1029 99 105 LYS HB3 H 2.005 0.04 2 1030 99 105 LYS HD2 H 2.062 0.04 2 1031 99 105 LYS HD3 H 2.013 0.04 2 1032 99 105 LYS HE2 H 3.013 0.04 2 1033 99 105 LYS HE3 H 2.958 0.04 2 1034 99 105 LYS HG2 H 1.627 0.04 2 1035 99 105 LYS HG3 H 1.537 0.04 2 1036 99 105 LYS C C 179.053 0.4 1 1037 99 105 LYS CA C 59.381 0.4 1 1038 99 105 LYS CB C 32.141 0.4 1 1039 99 105 LYS CD C 29.414 0.4 1 1040 99 105 LYS CE C 42.014 0.4 1 1041 99 105 LYS CG C 25.269 0.4 1 1042 99 105 LYS N N 122.770 0.4 1 1043 100 106 LEU H H 7.841 0.04 1 1044 100 106 LEU HA H 4.177 0.04 1 1045 100 106 LEU HB2 H 1.745 0.04 2 1046 100 106 LEU HB3 H 1.492 0.04 2 1047 100 106 LEU HD1 H 0.831 0.04 2 1048 100 106 LEU HD2 H 0.740 0.04 2 1049 100 106 LEU HG H 1.858 0.04 1 1050 100 106 LEU C C 175.724 0.4 1 1051 100 106 LEU CA C 54.936 0.4 1 1052 100 106 LEU CB C 42.548 0.4 1 1053 100 106 LEU CD1 C 22.183 0.4 2 1054 100 106 LEU CD2 C 26.632 0.4 2 1055 100 106 LEU CG C 26.885 0.4 1 1056 100 106 LEU N N 116.781 0.4 1 1057 101 107 GLN H H 7.837 0.04 1 1058 101 107 GLN HA H 3.646 0.04 1 1059 101 107 GLN HB2 H 2.327 0.04 2 1060 101 107 GLN HB3 H 2.086 0.04 2 1061 101 107 GLN HG2 H 2.369 0.04 2 1062 101 107 GLN HG3 H 2.333 0.04 2 1063 101 107 GLN C C 175.070 0.4 1 1064 101 107 GLN CA C 56.066 0.4 1 1065 101 107 GLN CB C 26.042 0.4 1 1066 101 107 GLN CG C 33.667 0.4 1 1067 101 107 GLN N N 115.633 0.4 1 1068 102 108 LEU H H 7.459 0.04 1 1069 102 108 LEU HA H 4.072 0.04 1 1070 102 108 LEU HB2 H 1.641 0.04 2 1071 102 108 LEU HB3 H 1.089 0.04 2 1072 102 108 LEU HD1 H 0.559 0.04 2 1073 102 108 LEU HD2 H 0.071 0.04 2 1074 102 108 LEU HG H 1.443 0.04 1 1075 102 108 LEU C C 172.942 0.4 1 1076 102 108 LEU CA C 55.815 0.4 1 1077 102 108 LEU CB C 40.865 0.4 1 1078 102 108 LEU CD1 C 22.934 0.4 2 1079 102 108 LEU CD2 C 25.130 0.4 2 1080 102 108 LEU CG C 26.638 0.4 1 1081 102 108 LEU N N 119.406 0.4 1 1082 103 109 SER H H 7.669 0.04 1 1083 103 109 SER HA H 4.472 0.04 1 1084 103 109 SER HB2 H 4.218 0.04 2 1085 103 109 SER HB3 H 3.807 0.04 2 1086 103 109 SER C C 175.466 0.4 1 1087 103 109 SER CA C 56.211 0.4 1 1088 103 109 SER CB C 65.605 0.4 1 1089 103 109 SER N N 117.656 0.4 1 1090 104 110 GLY H H 8.660 0.04 1 1091 104 110 GLY HA2 H 4.358 0.04 2 1092 104 110 GLY HA3 H 3.505 0.04 2 1093 104 110 GLY C C 175.557 0.4 1 1094 104 110 GLY CA C 48.369 0.4 1 1095 104 110 GLY N N 107.320 0.4 1 1096 105 111 HIS H H 7.475 0.04 1 1097 105 111 HIS HA H 4.504 0.04 1 1098 105 111 HIS HB2 H 3.200 0.04 2 1099 105 111 HIS HB3 H 2.983 0.04 2 1100 105 111 HIS HD2 H 6.714 0.04 1 1101 105 111 HIS C C 177.016 0.4 1 1102 105 111 HIS CA C 57.084 0.4 1 1103 105 111 HIS CB C 30.080 0.4 1 1104 105 111 HIS N N 114.266 0.4 1 1105 106 112 ALA H H 7.781 0.04 1 1106 106 112 ALA HA H 4.382 0.04 1 1107 106 112 ALA HB H 1.472 0.04 1 1108 106 112 ALA C C 178.369 0.4 1 1109 106 112 ALA CA C 52.662 0.4 1 1110 106 112 ALA CB C 19.766 0.4 1 1111 106 112 ALA N N 119.270 0.4 1 1112 107 113 MET H H 7.710 0.04 1 1113 107 113 MET HA H 4.029 0.04 1 1114 107 113 MET HB2 H 2.168 0.04 2 1115 107 113 MET HB3 H 1.523 0.04 2 1116 107 113 MET HE H 0.672 0.04 1 1117 107 113 MET HG2 H 2.306 0.04 2 1118 107 113 MET HG3 H 2.255 0.04 2 1119 107 113 MET CA C 59.082 0.4 1 1120 107 113 MET CB C 29.413 0.4 1 1121 107 113 MET CE C 14.894 0.4 1 1122 107 113 MET CG C 33.216 0.4 1 1123 107 113 MET N N 118.203 0.4 1 1124 108 114 PRO HA H 3.703 0.04 1 1125 108 114 PRO HB2 H 1.669 0.04 2 1126 108 114 PRO HB3 H 1.588 0.04 2 1127 108 114 PRO HD2 H 3.521 0.04 2 1128 108 114 PRO HD3 H 3.338 0.04 2 1129 108 114 PRO HG2 H 0.307 0.04 2 1130 108 114 PRO HG3 H 1.390 0.04 2 1131 108 114 PRO C C 177.275 0.4 1 1132 108 114 PRO CA C 66.078 0.4 1 1133 108 114 PRO CB C 31.757 0.4 1 1134 108 114 PRO CD C 50.566 0.4 1 1135 108 114 PRO CG C 27.868 0.4 1 1136 109 115 ARG H H 7.318 0.04 1 1137 109 115 ARG HA H 3.883 0.04 1 1138 109 115 ARG HB2 H 1.920 0.04 2 1139 109 115 ARG HB3 H 2.083 0.04 2 1140 109 115 ARG HD2 H 3.257 0.04 2 1141 109 115 ARG HD3 H 3.113 0.04 2 1142 109 115 ARG HG2 H 1.782 0.04 2 1143 109 115 ARG HG3 H 1.529 0.04 2 1144 109 115 ARG C C 178.232 0.4 1 1145 109 115 ARG CA C 58.109 0.4 1 1146 109 115 ARG CB C 30.223 0.4 1 1147 109 115 ARG CD C 44.657 0.4 1 1148 109 115 ARG CG C 27.456 0.4 1 1149 109 115 ARG N N 110.383 0.4 1 1150 110 116 LEU H H 7.616 0.04 1 1151 110 116 LEU HA H 4.184 0.04 1 1152 110 116 LEU HB2 H 1.380 0.04 2 1153 110 116 LEU HB3 H 1.998 0.04 2 1154 110 116 LEU HD1 H 0.754 0.04 2 1155 110 116 LEU HD2 H 0.718 0.04 2 1156 110 116 LEU HG H 1.064 0.04 1 1157 110 116 LEU C C 176.864 0.4 1 1158 110 116 LEU CA C 55.423 0.4 1 1159 110 116 LEU CB C 41.575 0.4 1 1160 110 116 LEU CD1 C 22.786 0.4 2 1161 110 116 LEU CD2 C 25.699 0.4 2 1162 110 116 LEU CG C 25.887 0.4 1 1163 110 116 LEU N N 116.344 0.4 1 1164 111 117 ALA H H 7.153 0.04 1 1165 111 117 ALA HA H 4.578 0.04 1 1166 111 117 ALA HB H 1.347 0.04 1 1167 111 117 ALA C C 175.238 0.4 1 1168 111 117 ALA CA C 53.142 0.4 1 1169 111 117 ALA CB C 19.868 0.4 1 1170 111 117 ALA N N 118.367 0.4 1 1171 112 118 VAL H H 6.737 0.04 1 1172 112 118 VAL HA H 4.474 0.04 1 1173 112 118 VAL HB H 2.208 0.04 1 1174 112 118 VAL HG1 H 0.968 0.04 2 1175 112 118 VAL HG2 H 0.945 0.04 2 1176 112 118 VAL CA C 59.454 0.4 1 1177 112 118 VAL CB C 34.072 0.4 1 1178 112 118 VAL CG1 C 19.370 0.4 2 1179 112 118 VAL CG2 C 22.127 0.4 2 1180 112 118 VAL N N 108.688 0.4 1 1181 113 119 THR HA H 4.115 0.04 1 1182 113 119 THR HB H 4.380 0.04 1 1183 113 119 THR HG2 H 1.211 0.04 1 1184 113 119 THR C C 174.627 0.4 1 1185 113 119 THR CA C 62.713 0.4 1 1186 113 119 THR CB C 69.162 0.4 1 1187 113 119 THR CG2 C 21.659 0.4 1 1188 114 120 ASN H H 7.984 0.04 1 1189 114 120 ASN HA H 4.562 0.04 1 1190 114 120 ASN HB2 H 2.378 0.04 2 1191 114 120 ASN HB3 H 2.180 0.04 2 1192 114 120 ASN CA C 53.712 0.4 1 1193 114 120 ASN CB C 41.299 0.4 1 1194 114 120 ASN N N 122.961 0.4 1 1195 115 121 THR HA H 4.156 0.04 1 1196 115 121 THR HB H 4.333 0.04 1 1197 115 121 THR HG2 H 1.265 0.04 1 1198 115 121 THR CA C 63.048 0.4 1 1199 115 121 THR CB C 68.880 0.4 1 1200 115 121 THR CG2 C 22.327 0.4 1 1201 116 122 THR HA H 3.855 0.04 1 1202 116 122 THR HB H 4.169 0.04 1 1203 116 122 THR HG2 H 1.261 0.04 1 1204 116 122 THR CA C 66.377 0.4 1 1205 116 122 THR CB C 69.034 0.4 1 1206 116 122 THR CG2 C 22.343 0.4 1 1207 117 123 MET H H 8.540 0.04 1 1208 117 123 MET HA H 4.402 0.04 1 1209 117 123 MET HB2 H 2.279 0.04 2 1210 117 123 MET HB3 H 2.279 0.04 2 1211 117 123 MET HE H 1.943 0.04 1 1212 117 123 MET HG2 H 2.450 0.04 2 1213 117 123 MET HG3 H 2.450 0.04 2 1214 117 123 MET C C 177.016 0.4 1 1215 117 123 MET CA C 56.675 0.4 1 1216 117 123 MET CB C 32.173 0.4 1 1217 117 123 MET CE C 17.349 0.4 1 1218 117 123 MET CG C 32.478 0.4 1 1219 118 124 THR H H 8.110 0.04 1 1220 118 124 THR HA H 4.131 0.04 1 1221 118 124 THR HB H 4.307 0.04 1 1222 118 124 THR HG2 H 1.233 0.04 1 1223 118 124 THR CA C 63.274 0.4 1 1224 118 124 THR CB C 68.810 0.4 1 1225 118 124 THR CG2 C 21.809 0.4 1 1226 118 124 THR N N 111.258 0.4 1 1227 119 125 GLY HA2 H 3.978 0.04 2 1228 119 125 GLY HA3 H 3.783 0.04 2 1229 119 125 GLY C C 174.812 0.4 1 1230 119 125 GLY CA C 46.032 0.4 1 1231 120 126 THR H H 7.924 0.04 1 1232 120 126 THR HA H 4.288 0.04 1 1233 120 126 THR HB H 4.295 0.04 1 1234 120 126 THR HG2 H 1.201 0.04 1 1235 120 126 THR C C 175.040 0.4 1 1236 120 126 THR CA C 63.587 0.4 1 1237 120 126 THR CB C 69.170 0.4 1 1238 120 126 THR CG2 C 21.702 0.4 1 1239 120 126 THR N N 114.594 0.4 1 1240 121 127 VAL H H 7.954 0.04 1 1241 121 127 VAL HA H 3.931 0.04 1 1242 121 127 VAL HB H 2.285 0.04 1 1243 121 127 VAL HG1 H 0.890 0.04 2 1244 121 127 VAL HG2 H 0.884 0.04 2 1245 121 127 VAL C C 175.952 0.4 1 1246 121 127 VAL CA C 64.586 0.4 1 1247 121 127 VAL CB C 31.905 0.4 1 1248 121 127 VAL CG1 C 22.530 0.4 2 1249 121 127 VAL CG2 C 21.569 0.4 2 1250 121 127 VAL N N 122.524 0.4 1 1251 122 128 LEU H H 7.856 0.04 1 1252 122 128 LEU HA H 4.187 0.04 1 1253 122 128 LEU HB2 H 1.733 0.04 2 1254 122 128 LEU HB3 H 1.466 0.04 2 1255 122 128 LEU HD1 H 0.727 0.04 2 1256 122 128 LEU HD2 H 0.597 0.04 2 1257 122 128 LEU HG H 1.459 0.04 1 1258 122 128 LEU CA C 54.984 0.4 1 1259 122 128 LEU CB C 42.496 0.4 1 1260 122 128 LEU CD1 C 25.700 0.4 2 1261 122 128 LEU CD2 C 24.439 0.4 2 1262 122 128 LEU CG C 27.393 0.4 1 1263 122 128 LEU N N 117.492 0.4 1 1264 123 129 LYS HA H 4.687 0.04 1 1265 123 129 LYS HB2 H 1.945 0.04 2 1266 123 129 LYS HB3 H 1.721 0.04 2 1267 123 129 LYS CA C 55.099 0.4 1 1268 123 129 LYS CB C 34.504 0.4 1 1269 124 130 MET HA H 4.509 0.04 1 1270 124 130 MET HE H 1.365 0.04 1 1271 124 130 MET CA C 56.644 0.4 1 1272 124 130 MET CE C 16.843 0.4 1 1273 125 131 THR HA H 4.127 0.04 1 1274 125 131 THR HB H 4.205 0.04 1 1275 125 131 THR HG2 H 1.225 0.04 1 1276 125 131 THR C C 176.560 0.4 1 1277 125 131 THR CA C 62.906 0.4 1 1278 125 131 THR CB C 69.319 0.4 1 1279 125 131 THR CG2 C 21.759 0.4 1 1280 126 132 ASP H H 7.324 0.04 1 1281 126 132 ASP HA H 4.148 0.04 1 1282 126 132 ASP HB2 H 2.775 0.04 2 1283 126 132 ASP HB3 H 2.398 0.04 2 1284 126 132 ASP C C 176.758 0.4 1 1285 126 132 ASP CA C 58.486 0.4 1 1286 126 132 ASP CB C 42.931 0.4 1 1287 126 132 ASP N N 124.492 0.4 1 1288 127 133 ARG H H 8.335 0.04 1 1289 127 133 ARG HA H 3.855 0.04 1 1290 127 133 ARG HB2 H 1.925 0.04 2 1291 127 133 ARG HB3 H 1.905 0.04 2 1292 127 133 ARG HD2 H 3.220 0.04 2 1293 127 133 ARG HD3 H 3.184 0.04 2 1294 127 133 ARG HG2 H 1.748 0.04 2 1295 127 133 ARG HG3 H 1.655 0.04 2 1296 127 133 ARG C C 178.308 0.4 1 1297 127 133 ARG CA C 59.343 0.4 1 1298 127 133 ARG CB C 30.000 0.4 1 1299 127 133 ARG CD C 43.124 0.4 1 1300 127 133 ARG CG C 27.285 0.4 1 1301 127 133 ARG N N 116.617 0.4 1 1302 128 134 SER H H 8.586 0.04 1 1303 128 134 SER HA H 4.370 0.04 1 1304 128 134 SER HB2 H 4.036 0.04 2 1305 128 134 SER HB3 H 3.994 0.04 2 1306 128 134 SER C C 177.928 0.4 1 1307 128 134 SER CA C 61.335 0.4 1 1308 128 134 SER CB C 62.254 0.4 1 1309 128 134 SER N N 117.274 0.4 1 1310 129 135 HIS H H 8.104 0.04 1 1311 129 135 HIS HA H 4.468 0.04 1 1312 129 135 HIS HB2 H 3.464 0.04 2 1313 129 135 HIS HB3 H 3.155 0.04 2 1314 129 135 HIS HD2 H 6.876 0.04 1 1315 129 135 HIS C C 176.712 0.4 1 1316 129 135 HIS CA C 57.227 0.4 1 1317 129 135 HIS CB C 31.546 0.4 1 1318 129 135 HIS N N 124.656 0.4 1 1319 130 136 ARG H H 7.929 0.04 1 1320 130 136 ARG HA H 4.004 0.04 1 1321 130 136 ARG HB2 H 1.939 0.04 2 1322 130 136 ARG HB3 H 1.955 0.04 2 1323 130 136 ARG HD2 H 3.292 0.04 2 1324 130 136 ARG HD3 H 3.225 0.04 2 1325 130 136 ARG HG2 H 1.774 0.04 2 1326 130 136 ARG HG3 H 1.634 0.04 2 1327 130 136 ARG C C 178.460 0.4 1 1328 130 136 ARG CA C 59.539 0.4 1 1329 130 136 ARG CB C 30.326 0.4 1 1330 130 136 ARG CD C 43.490 0.4 1 1331 130 136 ARG CG C 27.666 0.4 1 1332 130 136 ARG N N 118.203 0.4 1 1333 131 137 GLN H H 8.062 0.04 1 1334 131 137 GLN HA H 4.150 0.04 1 1335 131 137 GLN HB2 H 2.158 0.04 2 1336 131 137 GLN HB3 H 2.198 0.04 2 1337 131 137 GLN HG2 H 2.540 0.04 2 1338 131 137 GLN HG3 H 2.426 0.04 2 1339 131 137 GLN C C 177.487 0.4 1 1340 131 137 GLN CA C 58.675 0.4 1 1341 131 137 GLN CB C 28.747 0.4 1 1342 131 137 GLN CG C 34.078 0.4 1 1343 131 137 GLN N N 118.039 0.4 1 1344 132 138 LYS H H 7.854 0.04 1 1345 132 138 LYS HA H 4.035 0.04 1 1346 132 138 LYS HB2 H 1.948 0.04 2 1347 132 138 LYS HB3 H 1.902 0.04 2 1348 132 138 LYS HD2 H 1.717 0.04 2 1349 132 138 LYS HD3 H 1.677 0.04 2 1350 132 138 LYS HE2 H 2.946 0.04 2 1351 132 138 LYS HE3 H 2.932 0.04 2 1352 132 138 LYS HG2 H 1.548 0.04 2 1353 132 138 LYS HG3 H 1.360 0.04 2 1354 132 138 LYS C C 178.050 0.4 1 1355 132 138 LYS CA C 59.434 0.4 1 1356 132 138 LYS CB C 32.506 0.4 1 1357 132 138 LYS CD C 29.437 0.4 1 1358 132 138 LYS CE C 42.070 0.4 1 1359 132 138 LYS CG C 25.157 0.4 1 1360 132 138 LYS N N 120.336 0.4 1 1361 133 139 LEU H H 8.270 0.04 1 1362 133 139 LEU HA H 3.925 0.04 1 1363 133 139 LEU HB2 H 1.991 0.04 2 1364 133 139 LEU HB3 H 1.379 0.04 2 1365 133 139 LEU HD1 H 1.180 0.04 2 1366 133 139 LEU HD2 H 1.053 0.04 2 1367 133 139 LEU HG H 1.773 0.04 1 1368 133 139 LEU C C 177.259 0.4 1 1369 133 139 LEU CA C 58.326 0.4 1 1370 133 139 LEU CB C 42.011 0.4 1 1371 133 139 LEU CD1 C 25.114 0.4 2 1372 133 139 LEU CD2 C 27.180 0.4 2 1373 133 139 LEU CG C 27.214 0.4 1 1374 133 139 LEU N N 117.930 0.4 1 1375 134 140 GLN H H 8.099 0.04 1 1376 134 140 GLN HA H 4.445 0.04 1 1377 134 140 GLN HB2 H 2.151 0.04 2 1378 134 140 GLN HB3 H 2.259 0.04 2 1379 134 140 GLN HG2 H 2.465 0.04 2 1380 134 140 GLN HG3 H 2.300 0.04 2 1381 134 140 GLN C C 178.050 0.4 1 1382 134 140 GLN CA C 58.762 0.4 1 1383 134 140 GLN CB C 28.061 0.4 1 1384 134 140 GLN CG C 33.334 0.4 1 1385 134 140 GLN N N 117.274 0.4 1 1386 135 141 LEU H H 8.067 0.04 1 1387 135 141 LEU HA H 4.146 0.04 1 1388 135 141 LEU HB2 H 1.894 0.04 2 1389 135 141 LEU HB3 H 1.698 0.04 2 1390 135 141 LEU HD1 H 0.969 0.04 2 1391 135 141 LEU HD2 H 0.913 0.04 2 1392 135 141 LEU HG H 1.833 0.04 1 1393 135 141 LEU C C 180.041 0.4 1 1394 135 141 LEU CA C 58.186 0.4 1 1395 135 141 LEU CB C 42.156 0.4 1 1396 135 141 LEU CD1 C 25.122 0.4 2 1397 135 141 LEU CD2 C 23.884 0.4 2 1398 135 141 LEU CG C 27.281 0.4 1 1399 135 141 LEU N N 118.586 0.4 1 1400 136 142 LYS H H 8.299 0.04 1 1401 136 142 LYS HA H 4.514 0.04 1 1402 136 142 LYS HB2 H 1.836 0.04 2 1403 136 142 LYS HB3 H 2.192 0.04 2 1404 136 142 LYS HD2 H 1.705 0.04 2 1405 136 142 LYS HD3 H 1.268 0.04 2 1406 136 142 LYS HE2 H 2.756 0.04 2 1407 136 142 LYS HE3 H 2.742 0.04 2 1408 136 142 LYS HG2 H 1.738 0.04 2 1409 136 142 LYS HG3 H 1.713 0.04 2 1410 136 142 LYS C C 179.935 0.4 1 1411 136 142 LYS CA C 57.434 0.4 1 1412 136 142 LYS CB C 32.179 0.4 1 1413 136 142 LYS CD C 27.909 0.4 1 1414 136 142 LYS CE C 42.005 0.4 1 1415 136 142 LYS CG C 25.178 0.4 1 1416 136 142 LYS N N 117.055 0.4 1 1417 137 143 ALA H H 9.413 0.04 1 1418 137 143 ALA HA H 4.391 0.04 1 1419 137 143 ALA HB H 1.556 0.04 1 1420 137 143 ALA C C 178.278 0.4 1 1421 137 143 ALA CA C 56.233 0.4 1 1422 137 143 ALA CB C 18.166 0.4 1 1423 137 143 ALA N N 124.820 0.4 1 1424 138 144 LEU H H 8.674 0.04 1 1425 138 144 LEU HA H 3.812 0.04 1 1426 138 144 LEU HB2 H 1.990 0.04 2 1427 138 144 LEU HB3 H 2.253 0.04 2 1428 138 144 LEU HD1 H 1.077 0.04 2 1429 138 144 LEU HD2 H 1.085 0.04 2 1430 138 144 LEU HG H 1.941 0.04 1 1431 138 144 LEU C C 174.964 0.4 1 1432 138 144 LEU CA C 59.091 0.4 1 1433 138 144 LEU CB C 42.763 0.4 1 1434 138 144 LEU CD1 C 25.270 0.4 2 1435 138 144 LEU CD2 C 26.165 0.4 2 1436 138 144 LEU CG C 27.385 0.4 1 1437 138 144 LEU N N 120.227 0.4 1 1438 139 145 ASP H H 7.917 0.04 1 1439 139 145 ASP HA H 4.603 0.04 1 1440 139 145 ASP HB2 H 3.373 0.04 2 1441 139 145 ASP HB3 H 3.140 0.04 2 1442 139 145 ASP C C 177.943 0.4 1 1443 139 145 ASP CA C 57.208 0.4 1 1444 139 145 ASP CB C 43.209 0.4 1 1445 139 145 ASP N N 116.399 0.4 1 1446 140 146 THR H H 8.354 0.04 1 1447 140 146 THR HA H 4.128 0.04 1 1448 140 146 THR HB H 4.141 0.04 1 1449 140 146 THR HG2 H 0.877 0.04 1 1450 140 146 THR C C 176.210 0.4 1 1451 140 146 THR CA C 66.722 0.4 1 1452 140 146 THR CB C 69.422 0.4 1 1453 140 146 THR CG2 C 22.215 0.4 1 1454 140 146 THR N N 115.031 0.4 1 1455 141 147 VAL H H 8.682 0.04 1 1456 141 147 VAL HA H 3.514 0.04 1 1457 141 147 VAL HB H 1.857 0.04 1 1458 141 147 VAL HG1 H 0.295 0.04 2 1459 141 147 VAL HG2 H 0.260 0.04 2 1460 141 147 VAL C C 176.362 0.4 1 1461 141 147 VAL CA C 65.989 0.4 1 1462 141 147 VAL CB C 31.521 0.4 1 1463 141 147 VAL CG1 C 23.460 0.4 2 1464 141 147 VAL CG2 C 19.701 0.4 2 1465 141 147 VAL N N 120.828 0.4 1 1466 142 148 LEU H H 7.529 0.04 1 1467 142 148 LEU HA H 3.912 0.04 1 1468 142 148 LEU HB2 H -0.106 0.04 2 1469 142 148 LEU HB3 H 1.338 0.04 2 1470 142 148 LEU HD1 H 0.699 0.04 2 1471 142 148 LEU HD2 H 0.678 0.04 2 1472 142 148 LEU HG H 1.593 0.04 1 1473 142 148 LEU C C 178.521 0.4 1 1474 142 148 LEU CA C 56.899 0.4 1 1475 142 148 LEU CB C 43.382 0.4 1 1476 142 148 LEU CD1 C 23.281 0.4 2 1477 142 148 LEU CD2 C 26.519 0.4 2 1478 142 148 LEU CG C 26.834 0.4 1 1479 142 148 LEU N N 114.758 0.4 1 1480 143 149 PHE H H 8.112 0.04 1 1481 143 149 PHE HA H 5.022 0.04 1 1482 143 149 PHE HB2 H 3.399 0.04 2 1483 143 149 PHE HB3 H 3.294 0.04 2 1484 143 149 PHE HD1 H 7.577 0.04 3 1485 143 149 PHE HD2 H 7.577 0.04 3 1486 143 149 PHE HE1 H 7.345 0.04 3 1487 143 149 PHE HE2 H 7.345 0.04 3 1488 143 149 PHE C C 176.134 0.4 1 1489 143 149 PHE CA C 57.146 0.4 1 1490 143 149 PHE CB C 39.747 0.4 1 1491 143 149 PHE N N 113.281 0.4 1 1492 144 150 GLY H H 7.971 0.04 1 1493 144 150 GLY HA2 H 3.786 0.04 2 1494 144 150 GLY HA3 H 3.974 0.04 2 1495 144 150 GLY CA C 46.591 0.4 1 1496 144 150 GLY N N 117.109 0.4 1 stop_ save_