data_15616 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the F1 domain (residues 86-202) of the Talin FERM domain ; _BMRB_accession_number 15616 _BMRB_flat_file_name bmr15616.str _Entry_type original _Submission_date 2008-01-04 _Accession_date 2008-01-04 _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 Goult Benjamin T. . 2 Elliott Paul R. . 3 Critchley David R. . 4 Barsukov Igor L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 676 "13C chemical shifts" 517 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-02-18 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15457 'domain, 1655-1822' 15458 'F0 domain (residues 1-85)' 15615 'F0F1 double domain' 15625 'Residues 1815-1973' 16930 'F2 domain (residues 196-309)' 16932 'F2F3 domain (residues 196-405)' 16959 'F1F2 double domain (residues 86-303)' 17070 'domain C' stop_ _Original_release_date 2010-02-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The NMR Structure of the F0F1 double domain (Residues 1-202) from the talin FERM domain' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Benjamin T. . 2 Elliott Paul R. . 3 Roberts Gordon C.K. . 4 Critchley David R. . 5 Barsukov Igor L. . stop_ _Journal_abbreviation . _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 . _Details . loop_ _Keyword CYTOSKELETON F1 FERM NMR Talin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name F1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label F1 $F1 stop_ _System_molecular_weight 15001.2 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_F1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common F1 _Molecular_mass 15001.2 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; SSGLVPRGSHMRPLKIRMLD GTVKTIMVDDSKTVTDMLMT ICARIGITNHDEYSLVRELM EEKKDEGTGTLRKDKTLLRD EKKMEKLKQKLHTDDELNWL DHGRTLREQGVEEHETLLLR RKFFYSDQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 75 SER 2 76 SER 3 77 GLY 4 78 LEU 5 79 VAL 6 80 PRO 7 81 ARG 8 82 GLY 9 83 SER 10 84 HIS 11 85 MET 12 86 ARG 13 87 PRO 14 88 LEU 15 89 LYS 16 90 ILE 17 91 ARG 18 92 MET 19 93 LEU 20 94 ASP 21 95 GLY 22 96 THR 23 97 VAL 24 98 LYS 25 99 THR 26 100 ILE 27 101 MET 28 102 VAL 29 103 ASP 30 104 ASP 31 105 SER 32 106 LYS 33 107 THR 34 108 VAL 35 109 THR 36 110 ASP 37 111 MET 38 112 LEU 39 113 MET 40 114 THR 41 115 ILE 42 116 CYS 43 117 ALA 44 118 ARG 45 119 ILE 46 120 GLY 47 121 ILE 48 122 THR 49 123 ASN 50 124 HIS 51 125 ASP 52 126 GLU 53 127 TYR 54 128 SER 55 129 LEU 56 130 VAL 57 131 ARG 58 132 GLU 59 133 LEU 60 134 MET 61 135 GLU 62 136 GLU 63 137 LYS 64 138 LYS 65 139 ASP 66 140 GLU 67 141 GLY 68 142 THR 69 143 GLY 70 144 THR 71 145 LEU 72 146 ARG 73 147 LYS 74 148 ASP 75 149 LYS 76 150 THR 77 151 LEU 78 152 LEU 79 153 ARG 80 154 ASP 81 155 GLU 82 156 LYS 83 157 LYS 84 158 MET 85 159 GLU 86 160 LYS 87 161 LEU 88 162 LYS 89 163 GLN 90 164 LYS 91 165 LEU 92 166 HIS 93 167 THR 94 168 ASP 95 169 ASP 96 170 GLU 97 171 LEU 98 172 ASN 99 173 TRP 100 174 LEU 101 175 ASP 102 176 HIS 103 177 GLY 104 178 ARG 105 179 THR 106 180 LEU 107 181 ARG 108 182 GLU 109 183 GLN 110 184 GLY 111 185 VAL 112 186 GLU 113 187 GLU 114 188 HIS 115 189 GLU 116 190 THR 117 191 LEU 118 192 LEU 119 193 LEU 120 194 ARG 121 195 ARG 122 196 LYS 123 197 PHE 124 198 PHE 125 199 TYR 126 200 SER 127 201 ASP 128 202 GLN 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 BMRB 15615 F0F1 91.41 208 100.00 100.00 3.78e-75 PDB 2KC2 "Nmr Structure Of The F1 Domain (Residues 86-202) Of The Talin" 100.00 128 100.00 100.00 2.92e-85 DBJ BAA82979 "KIAA1027 protein [Homo sapiens]" 91.41 2550 98.29 99.15 4.63e-69 DBJ BAC30516 "unnamed protein product [Mus musculus]" 80.47 300 100.00 100.00 5.15e-64 DBJ BAC65702 "mKIAA1027 protein [Mus musculus]" 91.41 2564 100.00 100.00 4.71e-71 DBJ BAE27781 "unnamed protein product [Mus musculus]" 91.41 2541 100.00 100.00 6.31e-71 DBJ BAG09941 "talin-1 [synthetic construct]" 91.41 2541 98.29 99.15 4.62e-69 EMBL CAA39588 "talin [Mus musculus]" 91.41 2541 100.00 100.00 5.40e-71 GB AAD13152 "talin [Homo sapiens]" 91.41 2541 98.29 99.15 4.67e-69 GB AAF23322 "talin [Homo sapiens]" 91.41 2541 98.29 99.15 4.62e-69 GB AAF27330 "talin [Homo sapiens]" 91.41 2540 98.29 99.15 4.62e-69 GB AAH42923 "Talin 1 [Homo sapiens]" 91.41 2541 98.29 99.15 4.04e-69 GB AAI50811 "Talin 1 [Mus musculus]" 91.41 2541 100.00 100.00 5.62e-71 PRF 1617167A talin 91.41 2541 100.00 100.00 5.40e-71 REF NP_001034114 "talin-1 [Rattus norvegicus]" 91.41 2541 100.00 100.00 4.68e-71 REF NP_006280 "talin-1 [Homo sapiens]" 91.41 2541 98.29 99.15 4.62e-69 REF NP_035732 "talin-1 [Mus musculus]" 91.41 2541 100.00 100.00 5.62e-71 REF XP_001084941 "PREDICTED: talin-1 [Macaca mulatta]" 91.41 2428 98.29 99.15 4.32e-69 REF XP_001504543 "PREDICTED: talin-1 isoform X1 [Equus caballus]" 91.41 2541 98.29 99.15 3.33e-69 SP P26039 "RecName: Full=Talin-1" 91.41 2541 100.00 100.00 5.62e-71 SP Q9Y490 "RecName: Full=Talin-1" 91.41 2541 98.29 99.15 4.62e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $F1 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $F1 'recombinant technology' . Escherichia coli BL21(DE3) PET-151 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F1 1 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_15n _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F1 1 mM '[U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_double _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F1 1 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 1.015 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'with cryoprobe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15n save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $double save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $double save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $double save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $double save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $double save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $double save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $double save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15n 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' 50 0.1 mM pH 6.5 0.1 pH pressure 1 . atm temperature 298 0.1 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 $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $15n stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name F1 _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 76 2 SER HA H 4.411 0.015 1 2 76 2 SER HB2 H 3.850 0.015 1 3 76 2 SER HB3 H 3.854 0.015 1 4 76 2 SER C C 174.908 0.25 1 5 76 2 SER CA C 58.461 0.25 1 6 76 2 SER CB C 63.653 0.25 1 7 77 3 GLY H H 8.334 0.015 1 8 77 3 GLY HA2 H 3.915 0.015 1 9 77 3 GLY HA3 H 3.915 0.015 1 10 77 3 GLY C C 173.709 0.25 1 11 77 3 GLY CA C 44.974 0.25 1 12 77 3 GLY N N 110.406 0.25 1 13 78 4 LEU H H 7.985 0.015 1 14 78 4 LEU HA H 4.303 0.015 1 15 78 4 LEU HB2 H 1.579 0.015 1 16 78 4 LEU HB3 H 1.498 0.015 1 17 78 4 LEU C C 177.010 0.25 1 18 78 4 LEU CA C 54.805 0.25 1 19 78 4 LEU CB C 42.080 0.25 1 20 78 4 LEU N N 121.424 0.25 1 21 79 5 VAL H H 8.019 0.015 1 22 79 5 VAL HA H 4.336 0.015 1 23 79 5 VAL HB H 1.992 0.015 1 24 79 5 VAL HG1 H 0.887 0.015 1 25 79 5 VAL HG2 H 0.865 0.015 1 26 79 5 VAL C C 174.282 0.25 1 27 79 5 VAL CA C 59.448 0.25 1 28 79 5 VAL CB C 32.361 0.25 1 29 79 5 VAL CG1 C 20.662 0.25 1 30 79 5 VAL CG2 C 20.095 0.25 1 31 79 5 VAL N N 122.501 0.25 1 32 80 6 PRO HA H 4.347 0.015 1 33 80 6 PRO HB2 H 2.226 0.015 1 34 80 6 PRO HB3 H 1.842 0.015 1 35 80 6 PRO HD2 H 3.799 0.015 1 36 80 6 PRO HD3 H 3.595 0.015 1 37 80 6 PRO HG2 H 1.976 0.015 1 38 80 6 PRO HG3 H 1.888 0.015 1 39 80 6 PRO C C 173.007 0.25 1 40 80 6 PRO CA C 62.812 0.25 1 41 80 6 PRO CB C 31.765 0.25 1 42 80 6 PRO CD C 50.741 0.25 1 43 80 6 PRO CG C 27.065 0.25 1 44 81 7 ARG H H 8.408 0.015 1 45 81 7 ARG HA H 4.280 0.015 1 46 81 7 ARG HB2 H 1.817 0.015 1 47 81 7 ARG HB3 H 1.733 0.015 1 48 81 7 ARG HD2 H 3.154 0.015 1 49 81 7 ARG HD3 H 3.154 0.015 1 50 81 7 ARG HG2 H 1.606 0.015 1 51 81 7 ARG HG3 H 1.533 0.015 1 52 81 7 ARG C C 176.789 0.25 1 53 81 7 ARG CA C 55.872 0.25 1 54 81 7 ARG CB C 30.560 0.25 1 55 81 7 ARG CD C 43.037 0.25 1 56 81 7 ARG CG C 26.792 0.25 1 57 81 7 ARG N N 121.784 0.25 1 58 82 8 GLY H H 8.386 0.015 1 59 82 8 GLY HA2 H 3.935 0.015 1 60 82 8 GLY HA3 H 3.935 0.015 1 61 82 8 GLY C C 173.694 0.25 1 62 82 8 GLY CA C 44.816 0.25 1 63 82 8 GLY N N 110.310 0.25 1 64 83 9 SER H H 8.100 0.015 1 65 83 9 SER HA H 4.410 0.015 1 66 83 9 SER HB2 H 3.708 0.015 1 67 83 9 SER HB3 H 3.708 0.015 1 68 83 9 SER C C 174.285 0.25 1 69 83 9 SER CA C 58.461 0.25 1 70 83 9 SER CB C 64.089 0.25 1 71 83 9 SER N N 115.322 0.25 1 72 84 10 HIS HA H 4.653 0.015 1 73 84 10 HIS HB2 H 3.028 0.015 1 74 84 10 HIS HB3 H 3.303 0.015 1 75 84 10 HIS HD2 H 7.150 0.015 1 76 84 10 HIS HE1 H 8.236 0.015 1 77 84 10 HIS C C 173.225 0.25 1 78 84 10 HIS CA C 55.752 0.25 1 79 84 10 HIS CB C 29.512 0.25 1 80 84 10 HIS CD2 C 120.169 0.25 1 81 84 10 HIS CE1 C 136.656 0.25 1 82 85 11 MET H H 7.976 0.015 1 83 85 11 MET HA H 5.143 0.015 1 84 85 11 MET HB2 H 1.821 0.015 1 85 85 11 MET HB3 H 1.609 0.015 1 86 85 11 MET HG2 H 2.276 0.015 1 87 85 11 MET HG3 H 2.505 0.015 1 88 85 11 MET C C 175.953 0.25 1 89 85 11 MET CA C 53.180 0.25 1 90 85 11 MET CB C 31.688 0.25 1 91 85 11 MET CG C 31.646 0.25 1 92 85 11 MET N N 121.219 0.25 1 93 86 12 ARG H H 9.368 0.015 1 94 86 12 ARG HA H 4.835 0.015 1 95 86 12 ARG HB2 H 1.808 0.015 1 96 86 12 ARG HB3 H 1.808 0.015 1 97 86 12 ARG HD2 H 3.011 0.015 1 98 86 12 ARG HD3 H 3.011 0.015 1 99 86 12 ARG HE H 7.797 0.015 1 100 86 12 ARG HG2 H 1.541 0.015 1 101 86 12 ARG HG3 H 1.541 0.015 1 102 86 12 ARG C C 172.756 0.25 1 103 86 12 ARG CA C 52.628 0.25 1 104 86 12 ARG CB C 31.536 0.25 1 105 86 12 ARG CD C 44.068 0.25 1 106 86 12 ARG CG C 24.595 0.25 1 107 86 12 ARG N N 120.963 0.25 1 108 86 12 ARG NE N 85.201 0.25 1 109 87 13 PRO HA H 4.686 0.015 1 110 87 13 PRO HB2 H 1.733 0.015 1 111 87 13 PRO HB3 H 1.966 0.015 1 112 87 13 PRO HD2 H 3.685 0.015 1 113 87 13 PRO HD3 H 3.605 0.015 1 114 87 13 PRO HG2 H 2.136 0.015 1 115 87 13 PRO HG3 H 1.913 0.015 1 116 87 13 PRO C C 176.231 0.25 1 117 87 13 PRO CA C 62.433 0.25 1 118 87 13 PRO CB C 31.434 0.25 1 119 87 13 PRO CD C 50.387 0.25 1 120 87 13 PRO CG C 27.231 0.25 1 121 88 14 LEU H H 9.121 0.015 1 122 88 14 LEU HA H 4.666 0.015 1 123 88 14 LEU HB2 H 1.910 0.015 1 124 88 14 LEU HB3 H 1.126 0.015 1 125 88 14 LEU HD1 H 0.747 0.015 1 126 88 14 LEU HD2 H 0.850 0.015 1 127 88 14 LEU HG H 1.351 0.015 1 128 88 14 LEU C C 174.354 0.25 1 129 88 14 LEU CA C 53.522 0.25 1 130 88 14 LEU CB C 45.470 0.25 1 131 88 14 LEU CD1 C 27.171 0.25 1 132 88 14 LEU CD2 C 23.331 0.25 1 133 88 14 LEU CG C 26.671 0.25 1 134 88 14 LEU N N 129.102 0.25 1 135 89 15 LYS H H 8.522 0.015 1 136 89 15 LYS HA H 4.677 0.015 1 137 89 15 LYS HB2 H 1.395 0.015 1 138 89 15 LYS HB3 H 1.901 0.015 1 139 89 15 LYS C C 174.632 0.25 1 140 89 15 LYS CA C 55.826 0.25 1 141 89 15 LYS CB C 32.774 0.25 1 142 89 15 LYS N N 127.650 0.25 1 143 90 16 ILE H H 8.856 0.015 1 144 90 16 ILE HA H 5.079 0.015 1 145 90 16 ILE HB H 1.676 0.015 1 146 90 16 ILE HD1 H 0.670 0.015 1 147 90 16 ILE HG12 H 1.292 0.015 1 148 90 16 ILE HG13 H 1.094 0.015 1 149 90 16 ILE HG2 H 0.679 0.015 1 150 90 16 ILE C C 174.563 0.25 1 151 90 16 ILE CA C 56.901 0.25 1 152 90 16 ILE CB C 40.582 0.25 1 153 90 16 ILE CD1 C 13.451 0.25 1 154 90 16 ILE CG1 C 26.635 0.25 1 155 90 16 ILE CG2 C 18.318 0.25 1 156 90 16 ILE N N 122.201 0.25 1 157 91 17 ARG H H 9.257 0.015 1 158 91 17 ARG HA H 4.854 0.015 1 159 91 17 ARG HB2 H 1.430 0.015 1 160 91 17 ARG HB3 H 1.430 0.015 1 161 91 17 ARG HD2 H 3.028 0.015 1 162 91 17 ARG HD3 H 3.200 0.015 1 163 91 17 ARG HE H 8.075 0.015 1 164 91 17 ARG HG2 H 1.402 0.015 1 165 91 17 ARG HG3 H 1.692 0.015 1 166 91 17 ARG C C 175.578 0.25 1 167 91 17 ARG CA C 54.707 0.25 1 168 91 17 ARG CB C 30.778 0.25 1 169 91 17 ARG CD C 42.560 0.25 1 170 91 17 ARG CG C 26.740 0.25 1 171 91 17 ARG N N 127.179 0.25 1 172 91 17 ARG NE N 82.861 0.25 1 173 92 18 MET H H 8.926 0.015 1 174 92 18 MET HA H 4.651 0.015 1 175 92 18 MET HB2 H 2.288 0.015 1 176 92 18 MET HB3 H 2.288 0.015 1 177 92 18 MET HE H 1.945 0.015 1 178 92 18 MET HG2 H 2.630 0.015 1 179 92 18 MET HG3 H 2.504 0.015 1 180 92 18 MET C C 178.462 0.25 1 181 92 18 MET CA C 53.606 0.25 1 182 92 18 MET CB C 32.968 0.25 1 183 92 18 MET CE C 17.572 0.25 1 184 92 18 MET CG C 32.800 0.25 1 185 92 18 MET N N 124.902 0.25 1 186 93 19 LEU H H 8.493 0.015 1 187 93 19 LEU HA H 4.108 0.015 1 188 93 19 LEU HB2 H 1.663 0.015 1 189 93 19 LEU HB3 H 1.778 0.015 1 190 93 19 LEU HD1 H 0.984 0.015 1 191 93 19 LEU HD2 H 0.993 0.015 1 192 93 19 LEU HG H 1.784 0.015 1 193 93 19 LEU C C 177.784 0.25 1 194 93 19 LEU CA C 57.657 0.25 1 195 93 19 LEU CB C 40.992 0.25 1 196 93 19 LEU CD1 C 23.330 0.25 1 197 93 19 LEU CD2 C 24.829 0.25 1 198 93 19 LEU CG C 27.178 0.25 1 199 93 19 LEU N N 121.008 0.25 1 200 94 20 ASP H H 7.715 0.015 1 201 94 20 ASP HA H 4.475 0.015 1 202 94 20 ASP HB2 H 2.569 0.015 1 203 94 20 ASP HB3 H 3.069 0.015 1 204 94 20 ASP C C 177.037 0.25 1 205 94 20 ASP CA C 53.026 0.25 1 206 94 20 ASP CB C 39.677 0.25 1 207 94 20 ASP N N 115.014 0.25 1 208 95 21 GLY H H 8.025 0.015 1 209 95 21 GLY HA2 H 3.526 0.015 1 210 95 21 GLY HA3 H 4.358 0.015 1 211 95 21 GLY C C 174.692 0.25 1 212 95 21 GLY CA C 44.925 0.25 1 213 95 21 GLY N N 107.977 0.25 1 214 96 22 THR H H 8.085 0.015 1 215 96 22 THR HA H 4.196 0.015 1 216 96 22 THR HB H 4.104 0.015 1 217 96 22 THR HG2 H 1.113 0.015 1 218 96 22 THR C C 173.006 0.25 1 219 96 22 THR CA C 62.517 0.25 1 220 96 22 THR CB C 69.964 0.25 1 221 96 22 THR CG2 C 21.423 0.25 1 222 96 22 THR N N 115.951 0.25 1 223 97 23 VAL H H 8.413 0.015 1 224 97 23 VAL HA H 4.887 0.015 1 225 97 23 VAL HB H 1.847 0.015 1 226 97 23 VAL HG1 H 0.732 0.015 1 227 97 23 VAL HG2 H 0.857 0.015 1 228 97 23 VAL C C 176.193 0.25 1 229 97 23 VAL CA C 61.147 0.25 1 230 97 23 VAL CB C 32.988 0.25 1 231 97 23 VAL CG1 C 21.046 0.25 1 232 97 23 VAL CG2 C 21.412 0.25 1 233 97 23 VAL N N 121.679 0.25 1 234 98 24 LYS H H 9.162 0.015 1 235 98 24 LYS HA H 4.647 0.015 1 236 98 24 LYS HB2 H 1.556 0.015 1 237 98 24 LYS HB3 H 1.687 0.015 1 238 98 24 LYS HD2 H 1.622 0.015 1 239 98 24 LYS HD3 H 1.622 0.015 1 240 98 24 LYS HE2 H 2.936 0.015 1 241 98 24 LYS HE3 H 2.936 0.015 1 242 98 24 LYS HG2 H 1.364 0.015 1 243 98 24 LYS HG3 H 1.327 0.015 1 244 98 24 LYS C C 174.630 0.25 1 245 98 24 LYS CA C 53.684 0.25 1 246 98 24 LYS CB C 35.607 0.25 1 247 98 24 LYS CD C 28.645 0.25 1 248 98 24 LYS CE C 41.784 0.25 1 249 98 24 LYS CG C 24.698 0.25 1 250 98 24 LYS N N 128.879 0.25 1 251 99 25 THR H H 8.417 0.015 1 252 99 25 THR HA H 5.029 0.015 1 253 99 25 THR HB H 3.865 0.015 1 254 99 25 THR HG2 H 0.945 0.015 1 255 99 25 THR C C 174.286 0.25 1 256 99 25 THR CA C 61.774 0.25 1 257 99 25 THR CB C 68.853 0.25 1 258 99 25 THR CG2 C 21.525 0.25 1 259 99 25 THR N N 118.333 0.25 1 260 100 26 ILE H H 9.162 0.015 1 261 100 26 ILE HA H 4.346 0.015 1 262 100 26 ILE HB H 1.613 0.015 1 263 100 26 ILE HD1 H 0.677 0.015 1 264 100 26 ILE HG12 H 1.314 0.015 1 265 100 26 ILE HG13 H 1.073 0.015 1 266 100 26 ILE HG2 H 0.740 0.015 1 267 100 26 ILE C C 174.465 0.25 1 268 100 26 ILE CA C 58.654 0.25 1 269 100 26 ILE CB C 40.906 0.25 1 270 100 26 ILE CD1 C 13.357 0.25 1 271 100 26 ILE CG1 C 26.953 0.25 1 272 100 26 ILE CG2 C 17.094 0.25 1 273 100 26 ILE N N 127.870 0.25 1 274 101 27 MET H H 8.402 0.015 1 275 101 27 MET HA H 4.917 0.015 1 276 101 27 MET HB2 H 1.945 0.015 1 277 101 27 MET HB3 H 1.612 0.015 1 278 101 27 MET HE H 1.826 0.015 1 279 101 27 MET HG2 H 2.493 0.015 1 280 101 27 MET HG3 H 2.562 0.015 1 281 101 27 MET C C 176.043 0.25 1 282 101 27 MET CA C 53.607 0.25 1 283 101 27 MET CB C 30.487 0.25 1 284 101 27 MET CE C 15.991 0.25 1 285 101 27 MET CG C 31.770 0.25 1 286 101 27 MET N N 124.368 0.25 1 287 102 28 VAL H H 8.901 0.015 1 288 102 28 VAL HA H 4.683 0.015 1 289 102 28 VAL HB H 1.984 0.015 1 290 102 28 VAL HG1 H 0.792 0.015 1 291 102 28 VAL HG2 H 0.805 0.015 1 292 102 28 VAL C C 173.267 0.25 1 293 102 28 VAL CA C 58.586 0.25 1 294 102 28 VAL CB C 35.835 0.25 1 295 102 28 VAL CG1 C 21.009 0.25 1 296 102 28 VAL CG2 C 18.480 0.25 1 297 102 28 VAL N N 117.476 0.25 1 298 103 29 ASP H H 8.177 0.015 1 299 103 29 ASP HA H 5.008 0.015 1 300 103 29 ASP HB2 H 2.506 0.015 1 301 103 29 ASP HB3 H 2.825 0.015 1 302 103 29 ASP C C 177.308 0.25 1 303 103 29 ASP CA C 52.102 0.25 1 304 103 29 ASP CB C 41.152 0.25 1 305 103 29 ASP N N 120.823 0.25 1 306 104 30 ASP H H 8.800 0.015 1 307 104 30 ASP HA H 4.554 0.015 1 308 104 30 ASP HB2 H 2.402 0.015 1 309 104 30 ASP HB3 H 2.990 0.015 1 310 104 30 ASP C C 177.010 0.25 1 311 104 30 ASP CA C 54.568 0.25 1 312 104 30 ASP CB C 40.623 0.25 1 313 104 30 ASP N N 124.201 0.25 1 314 105 31 SER H H 8.857 0.015 1 315 105 31 SER HA H 4.465 0.015 1 316 105 31 SER HB2 H 3.749 0.015 1 317 105 31 SER HB3 H 3.959 0.015 1 318 105 31 SER C C 174.588 0.25 1 319 105 31 SER CA C 59.062 0.25 1 320 105 31 SER CB C 63.856 0.25 1 321 105 31 SER N N 114.905 0.25 1 322 106 32 LYS H H 7.276 0.015 1 323 106 32 LYS HA H 4.534 0.015 1 324 106 32 LYS HB2 H 1.833 0.015 1 325 106 32 LYS HB3 H 1.833 0.015 1 326 106 32 LYS HD2 H 1.646 0.015 1 327 106 32 LYS HD3 H 1.646 0.015 1 328 106 32 LYS HE2 H 2.881 0.015 1 329 106 32 LYS HE3 H 2.973 0.015 1 330 106 32 LYS HG2 H 1.335 0.015 1 331 106 32 LYS HG3 H 1.471 0.015 1 332 106 32 LYS C C 176.320 0.25 1 333 106 32 LYS CA C 54.018 0.25 1 334 106 32 LYS CB C 33.389 0.25 1 335 106 32 LYS CD C 28.555 0.25 1 336 106 32 LYS CE C 42.163 0.25 1 337 106 32 LYS CG C 25.059 0.25 1 338 106 32 LYS N N 121.578 0.25 1 339 107 33 THR H H 8.632 0.015 1 340 107 33 THR HA H 3.708 0.015 1 341 107 33 THR HB H 4.479 0.015 1 342 107 33 THR HG2 H 1.217 0.015 1 343 107 33 THR C C 175.328 0.25 1 344 107 33 THR CA C 61.536 0.25 1 345 107 33 THR CB C 70.484 0.25 1 346 107 33 THR CG2 C 22.159 0.25 1 347 107 33 THR N N 109.542 0.25 1 348 108 34 VAL H H 7.774 0.015 1 349 108 34 VAL HA H 3.553 0.015 1 350 108 34 VAL HB H 2.353 0.015 1 351 108 34 VAL HG1 H 0.561 0.015 1 352 108 34 VAL HG2 H 0.958 0.015 1 353 108 34 VAL C C 177.404 0.25 1 354 108 34 VAL CA C 67.062 0.25 1 355 108 34 VAL CB C 31.126 0.25 1 356 108 34 VAL CG1 C 21.309 0.25 1 357 108 34 VAL CG2 C 24.486 0.25 1 358 108 34 VAL N N 121.400 0.25 1 359 109 35 THR H H 8.728 0.015 1 360 109 35 THR HA H 3.808 0.015 1 361 109 35 THR HB H 4.042 0.015 1 362 109 35 THR HG2 H 1.254 0.015 1 363 109 35 THR C C 175.285 0.25 1 364 109 35 THR CA C 67.306 0.25 1 365 109 35 THR CB C 69.150 0.25 1 366 109 35 THR CG2 C 21.323 0.25 1 367 109 35 THR N N 116.551 0.25 1 368 110 36 ASP H H 7.144 0.015 1 369 110 36 ASP HA H 4.382 0.015 1 370 110 36 ASP HB2 H 2.642 0.015 1 371 110 36 ASP HB3 H 2.720 0.015 1 372 110 36 ASP C C 179.151 0.25 1 373 110 36 ASP CA C 57.136 0.25 1 374 110 36 ASP CB C 40.815 0.25 1 375 110 36 ASP N N 121.723 0.25 1 376 111 37 MET H H 8.531 0.015 1 377 111 37 MET HA H 4.031 0.015 1 378 111 37 MET HB2 H 1.892 0.015 1 379 111 37 MET HB3 H 2.075 0.015 1 380 111 37 MET HE H 1.917 0.015 1 381 111 37 MET HG2 H 2.274 0.015 1 382 111 37 MET HG3 H 2.515 0.015 1 383 111 37 MET C C 178.529 0.25 1 384 111 37 MET CA C 58.786 0.25 1 385 111 37 MET CB C 33.354 0.25 1 386 111 37 MET CE C 17.433 0.25 1 387 111 37 MET CG C 31.521 0.25 1 388 111 37 MET N N 121.131 0.25 1 389 112 38 LEU H H 8.838 0.015 1 390 112 38 LEU HA H 3.887 0.015 1 391 112 38 LEU HB2 H 1.638 0.015 1 392 112 38 LEU HB3 H 1.841 0.015 1 393 112 38 LEU HD1 H 0.726 0.015 1 394 112 38 LEU HD2 H 0.781 0.015 1 395 112 38 LEU HG H 1.549 0.015 1 396 112 38 LEU C C 178.859 0.25 1 397 112 38 LEU CA C 57.750 0.25 1 398 112 38 LEU CB C 41.888 0.25 1 399 112 38 LEU CD1 C 25.254 0.25 1 400 112 38 LEU CD2 C 24.520 0.25 1 401 112 38 LEU CG C 27.806 0.25 1 402 112 38 LEU N N 120.392 0.25 1 403 113 39 MET H H 7.634 0.015 1 404 113 39 MET HA H 3.601 0.015 1 405 113 39 MET HB2 H 1.946 0.015 1 406 113 39 MET HB3 H 1.946 0.015 1 407 113 39 MET HG2 H 2.325 0.015 1 408 113 39 MET HG3 H 1.798 0.015 1 409 113 39 MET C C 178.567 0.25 1 410 113 39 MET CA C 59.677 0.25 1 411 113 39 MET CB C 31.850 0.25 1 412 113 39 MET CG C 31.253 0.25 1 413 113 39 MET N N 118.335 0.25 1 414 114 40 THR H H 7.464 0.015 1 415 114 40 THR HA H 3.917 0.015 1 416 114 40 THR HB H 4.283 0.015 1 417 114 40 THR HG2 H 1.233 0.015 1 418 114 40 THR C C 178.703 0.25 1 419 114 40 THR CA C 66.225 0.25 1 420 114 40 THR CB C 68.642 0.25 1 421 114 40 THR CG2 C 21.466 0.25 1 422 114 40 THR N N 116.316 0.25 1 423 115 41 ILE H H 8.498 0.015 1 424 115 41 ILE HA H 3.442 0.015 1 425 115 41 ILE HB H 1.769 0.015 1 426 115 41 ILE HD1 H 0.696 0.015 1 427 115 41 ILE HG12 H 0.831 0.015 1 428 115 41 ILE HG13 H 0.831 0.015 1 429 115 41 ILE HG2 H 0.775 0.015 1 430 115 41 ILE C C 177.313 0.25 1 431 115 41 ILE CA C 65.309 0.25 1 432 115 41 ILE CB C 38.810 0.25 1 433 115 41 ILE CD1 C 14.565 0.25 1 434 115 41 ILE CG1 C 28.586 0.25 1 435 115 41 ILE CG2 C 16.857 0.25 1 436 115 41 ILE N N 121.113 0.25 1 437 116 42 CYS H H 8.393 0.015 1 438 116 42 CYS HA H 3.793 0.015 1 439 116 42 CYS HB2 H 2.863 0.015 1 440 116 42 CYS HB3 H 3.031 0.015 1 441 116 42 CYS C C 176.614 0.25 1 442 116 42 CYS CA C 65.188 0.25 1 443 116 42 CYS CB C 26.045 0.25 1 444 116 42 CYS N N 115.058 0.25 1 445 117 43 ALA H H 7.782 0.015 1 446 117 43 ALA HA H 4.112 0.015 1 447 117 43 ALA HB H 1.471 0.015 1 448 117 43 ALA C C 180.659 0.25 1 449 117 43 ALA CA C 54.692 0.25 1 450 117 43 ALA CB C 17.630 0.25 1 451 117 43 ALA N N 121.148 0.25 1 452 118 44 ARG H H 7.669 0.015 1 453 118 44 ARG HA H 4.146 0.015 1 454 118 44 ARG HB2 H 1.940 0.015 1 455 118 44 ARG HB3 H 1.997 0.015 1 456 118 44 ARG HD2 H 3.196 0.015 1 457 118 44 ARG HD3 H 3.196 0.015 1 458 118 44 ARG HG2 H 1.683 0.015 1 459 118 44 ARG HG3 H 1.813 0.015 1 460 118 44 ARG C C 178.151 0.25 1 461 118 44 ARG CA C 57.299 0.25 1 462 118 44 ARG CB C 29.728 0.25 1 463 118 44 ARG CD C 42.361 0.25 1 464 118 44 ARG CG C 26.602 0.25 1 465 118 44 ARG N N 116.471 0.25 1 466 119 45 ILE H H 7.483 0.015 1 467 119 45 ILE HA H 4.359 0.015 1 468 119 45 ILE HB H 2.006 0.015 1 469 119 45 ILE HD1 H 0.632 0.015 1 470 119 45 ILE HG12 H 1.294 0.015 1 471 119 45 ILE HG13 H 1.294 0.015 1 472 119 45 ILE HG2 H 0.809 0.015 1 473 119 45 ILE C C 175.846 0.25 1 474 119 45 ILE CA C 60.906 0.25 1 475 119 45 ILE CB C 37.905 0.25 1 476 119 45 ILE CD1 C 14.029 0.25 1 477 119 45 ILE CG1 C 26.326 0.25 1 478 119 45 ILE CG2 C 17.050 0.25 1 479 119 45 ILE N N 111.754 0.25 1 480 120 46 GLY H H 7.592 0.015 1 481 120 46 GLY HA2 H 3.713 0.015 1 482 120 46 GLY HA3 H 4.080 0.015 1 483 120 46 GLY C C 174.525 0.25 1 484 120 46 GLY CA C 45.922 0.25 1 485 120 46 GLY N N 109.065 0.25 1 486 121 47 ILE H H 7.954 0.015 1 487 121 47 ILE HA H 4.156 0.015 1 488 121 47 ILE HB H 1.267 0.015 1 489 121 47 ILE HD1 H 0.331 0.015 1 490 121 47 ILE HG12 H 1.241 0.015 1 491 121 47 ILE HG13 H 0.860 0.015 1 492 121 47 ILE HG2 H 0.521 0.015 1 493 121 47 ILE C C 176.089 0.25 1 494 121 47 ILE CA C 60.203 0.25 1 495 121 47 ILE CB C 39.542 0.25 1 496 121 47 ILE CD1 C 12.902 0.25 1 497 121 47 ILE CG1 C 27.245 0.25 1 498 121 47 ILE CG2 C 17.325 0.25 1 499 121 47 ILE N N 122.022 0.25 1 500 122 48 THR H H 8.505 0.015 1 501 122 48 THR HA H 4.233 0.015 1 502 122 48 THR HB H 4.150 0.015 1 503 122 48 THR HG2 H 1.182 0.015 1 504 122 48 THR C C 175.047 0.25 1 505 122 48 THR CA C 63.049 0.25 1 506 122 48 THR CB C 69.020 0.25 1 507 122 48 THR CG2 C 21.431 0.25 1 508 122 48 THR N N 119.558 0.25 1 509 123 49 ASN H H 8.736 0.015 1 510 123 49 ASN HA H 4.941 0.015 1 511 123 49 ASN HB2 H 2.737 0.015 1 512 123 49 ASN HB3 H 2.833 0.015 1 513 123 49 ASN HD21 H 7.736 0.015 1 514 123 49 ASN HD22 H 6.681 0.015 1 515 123 49 ASN C C 175.898 0.25 1 516 123 49 ASN CA C 52.050 0.25 1 517 123 49 ASN CB C 35.347 0.25 1 518 123 49 ASN N N 121.071 0.25 1 519 123 49 ASN ND2 N 111.491 0.25 1 520 124 50 HIS HA H 4.387 0.015 1 521 124 50 HIS HB2 H 3.071 0.015 1 522 124 50 HIS HB3 H 2.963 0.015 1 523 124 50 HIS CA C 58.605 0.25 1 524 124 50 HIS CB C 30.298 0.25 1 525 125 51 ASP H H 8.047 0.015 1 526 125 51 ASP HA H 4.468 0.015 1 527 125 51 ASP HB2 H 2.432 0.015 1 528 125 51 ASP HB3 H 2.527 0.015 1 529 125 51 ASP C C 177.122 0.25 1 530 125 51 ASP CA C 55.189 0.25 1 531 125 51 ASP CB C 39.633 0.25 1 532 125 51 ASP N N 117.508 0.25 1 533 126 52 GLU H H 7.710 0.015 1 534 126 52 GLU HA H 4.230 0.015 1 535 126 52 GLU HB2 H 1.866 0.015 1 536 126 52 GLU HB3 H 2.139 0.015 1 537 126 52 GLU C C 175.216 0.25 1 538 126 52 GLU CA C 56.435 0.25 1 539 126 52 GLU CB C 29.603 0.25 1 540 126 52 GLU N N 116.218 0.25 1 541 127 53 TYR H H 7.866 0.015 1 542 127 53 TYR HA H 4.780 0.015 1 543 127 53 TYR HB2 H 2.838 0.015 1 544 127 53 TYR HB3 H 2.838 0.015 1 545 127 53 TYR HD1 H 6.902 0.015 3 546 127 53 TYR HD2 H 6.902 0.015 3 547 127 53 TYR HE1 H 6.672 0.015 3 548 127 53 TYR HE2 H 6.672 0.015 3 549 127 53 TYR C C 174.029 0.25 1 550 127 53 TYR CA C 58.275 0.25 1 551 127 53 TYR CB C 42.072 0.25 1 552 127 53 TYR CD1 C 132.864 0.25 3 553 127 53 TYR CD2 C 132.864 0.25 3 554 127 53 TYR CE1 C 118.159 0.25 3 555 127 53 TYR CE2 C 118.159 0.25 3 556 127 53 TYR N N 118.692 0.25 1 557 128 54 SER H H 8.895 0.015 1 558 128 54 SER HA H 4.631 0.015 1 559 128 54 SER HB2 H 3.713 0.015 1 560 128 54 SER HB3 H 3.740 0.015 1 561 128 54 SER C C 172.805 0.25 1 562 128 54 SER CA C 56.302 0.25 1 563 128 54 SER CB C 63.930 0.25 1 564 128 54 SER N N 112.040 0.25 1 565 129 55 LEU H H 8.845 0.015 1 566 129 55 LEU HA H 5.636 0.015 1 567 129 55 LEU HB2 H 1.498 0.015 1 568 129 55 LEU HB3 H 1.208 0.015 1 569 129 55 LEU HD1 H 0.780 0.015 1 570 129 55 LEU HD2 H 0.680 0.015 1 571 129 55 LEU C C 175.116 0.25 1 572 129 55 LEU CA C 52.571 0.25 1 573 129 55 LEU CB C 46.868 0.25 1 574 129 55 LEU CD1 C 23.723 0.25 1 575 129 55 LEU CD2 C 25.452 0.25 1 576 129 55 LEU N N 119.442 0.25 1 577 130 56 VAL H H 8.890 0.015 1 578 130 56 VAL HA H 4.344 0.015 1 579 130 56 VAL HB H 1.631 0.015 1 580 130 56 VAL HG1 H 0.142 0.015 1 581 130 56 VAL HG2 H 0.467 0.015 1 582 130 56 VAL C C 175.074 0.25 1 583 130 56 VAL CA C 59.521 0.25 1 584 130 56 VAL CB C 34.967 0.25 1 585 130 56 VAL CG1 C 21.511 0.25 1 586 130 56 VAL CG2 C 21.522 0.25 1 587 130 56 VAL N N 119.843 0.25 1 588 131 57 ARG H H 8.324 0.015 1 589 131 57 ARG HA H 4.491 0.015 1 590 131 57 ARG HB2 H 1.547 0.015 1 591 131 57 ARG HB3 H 1.975 0.015 1 592 131 57 ARG HD2 H 3.096 0.015 1 593 131 57 ARG HD3 H 2.966 0.015 1 594 131 57 ARG HE H 8.961 0.015 1 595 131 57 ARG HH12 H 6.886 0.015 1 596 131 57 ARG HH22 H 6.886 0.015 1 597 131 57 ARG C C 175.496 0.25 1 598 131 57 ARG CA C 55.303 0.25 1 599 131 57 ARG CB C 31.922 0.25 1 600 131 57 ARG CD C 43.861 0.25 1 601 131 57 ARG N N 124.725 0.25 1 602 131 57 ARG NE N 84.554 0.25 1 603 131 57 ARG NH1 N 71.965 0.25 1 604 131 57 ARG NH2 N 71.965 0.25 1 605 132 58 GLU H H 8.651 0.015 1 606 132 58 GLU HA H 4.152 0.015 1 607 132 58 GLU HB2 H 1.871 0.015 1 608 132 58 GLU HB3 H 1.965 0.015 1 609 132 58 GLU C C 176.093 0.25 1 610 132 58 GLU CA C 57.127 0.25 1 611 132 58 GLU CB C 30.370 0.25 1 612 132 58 GLU N N 125.303 0.25 1 613 133 59 LEU H H 8.300 0.015 1 614 133 59 LEU HA H 4.290 0.015 1 615 133 59 LEU HB2 H 1.517 0.015 1 616 133 59 LEU HB3 H 1.564 0.015 1 617 133 59 LEU HD1 H 0.814 0.015 1 618 133 59 LEU HD2 H 0.815 0.015 1 619 133 59 LEU C C 176.834 0.25 1 620 133 59 LEU CA C 54.823 0.25 1 621 133 59 LEU CB C 42.110 0.25 1 622 133 59 LEU CD1 C 23.387 0.25 1 623 133 59 LEU CD2 C 23.316 0.25 1 624 133 59 LEU N N 123.230 0.25 1 625 134 60 MET H H 8.310 0.015 1 626 134 60 MET HA H 4.444 0.015 1 627 134 60 MET HB2 H 1.940 0.015 1 628 134 60 MET HB3 H 2.023 0.015 1 629 134 60 MET HE H 2.042 0.015 1 630 134 60 MET HG2 H 2.482 0.015 1 631 134 60 MET HG3 H 2.552 0.015 1 632 134 60 MET C C 175.913 0.25 1 633 134 60 MET CA C 54.973 0.25 1 634 134 60 MET CB C 32.878 0.25 1 635 134 60 MET CE C 16.789 0.25 1 636 134 60 MET CG C 31.904 0.25 1 637 134 60 MET N N 121.477 0.25 1 638 135 61 GLU H H 8.332 0.015 1 639 135 61 GLU HA H 4.238 0.015 1 640 135 61 GLU HB2 H 1.973 0.015 1 641 135 61 GLU HB3 H 1.888 0.015 1 642 135 61 GLU HG2 H 2.166 0.015 1 643 135 61 GLU HG3 H 2.215 0.015 1 644 135 61 GLU CA C 56.215 0.25 1 645 135 61 GLU CB C 30.243 0.25 1 646 135 61 GLU CG C 35.924 0.25 1 647 135 61 GLU N N 122.439 0.25 1 648 136 62 GLU HA H 4.208 0.015 1 649 136 62 GLU CA C 55.989 0.25 1 650 136 62 GLU CB C 32.896 0.25 1 651 136 62 GLU N N 122.411 0.25 1 652 139 65 ASP H H 8.361 0.015 1 653 139 65 ASP HA H 4.563 0.015 1 654 139 65 ASP HB2 H 2.585 0.015 1 655 139 65 ASP HB3 H 2.681 0.015 1 656 139 65 ASP C C 176.350 0.25 1 657 139 65 ASP CA C 54.004 0.25 1 658 139 65 ASP CB C 40.982 0.25 1 659 139 65 ASP N N 121.540 0.25 1 660 140 66 GLU H H 8.433 0.015 1 661 140 66 GLU HA H 4.259 0.015 1 662 140 66 GLU HB2 H 1.902 0.015 1 663 140 66 GLU HB3 H 2.073 0.015 1 664 140 66 GLU C C 177.156 0.25 1 665 140 66 GLU CA C 56.569 0.25 1 666 140 66 GLU CB C 29.944 0.25 1 667 140 66 GLU N N 121.943 0.25 1 668 141 67 GLY H H 8.503 0.015 1 669 141 67 GLY HA2 H 3.977 0.015 1 670 141 67 GLY HA3 H 3.977 0.015 1 671 141 67 GLY C C 174.481 0.25 1 672 141 67 GLY CA C 45.271 0.25 1 673 141 67 GLY N N 109.344 0.25 1 674 142 68 THR H H 8.051 0.015 1 675 142 68 THR HA H 4.311 0.015 1 676 142 68 THR HB H 4.229 0.015 1 677 142 68 THR C C 174.578 0.25 1 678 142 68 THR CA C 61.885 0.25 1 679 142 68 THR CB C 69.601 0.25 1 680 142 68 THR N N 112.730 0.25 1 681 143 69 GLY H H 8.498 0.015 1 682 143 69 GLY HA2 H 3.995 0.015 1 683 143 69 GLY HA3 H 3.963 0.015 1 684 143 69 GLY C C 174.734 0.25 1 685 143 69 GLY CA C 45.345 0.25 1 686 143 69 GLY N N 111.228 0.25 1 687 144 70 THR H H 7.992 0.015 1 688 144 70 THR HA H 4.265 0.015 1 689 144 70 THR CA C 61.907 0.25 1 690 144 70 THR CB C 69.558 0.25 1 691 144 70 THR N N 113.869 0.25 1 692 145 71 LEU H H 8.185 0.015 1 693 145 71 LEU HA H 4.299 0.015 1 694 145 71 LEU HB2 H 1.618 0.015 1 695 145 71 LEU HB3 H 1.531 0.015 1 696 145 71 LEU HD1 H 0.878 0.015 1 697 145 71 LEU HD2 H 0.825 0.015 1 698 145 71 LEU HG H 1.569 0.015 1 699 145 71 LEU C C 177.146 0.25 1 700 145 71 LEU CA C 54.981 0.25 1 701 145 71 LEU CB C 41.994 0.25 1 702 145 71 LEU CD1 C 24.515 0.25 1 703 145 71 LEU CD2 C 23.166 0.25 1 704 145 71 LEU CG C 26.647 0.25 1 705 145 71 LEU N N 124.318 0.25 1 706 146 72 ARG H H 8.251 0.015 1 707 146 72 ARG HA H 4.238 0.015 1 708 146 72 ARG HB2 H 1.799 0.015 1 709 146 72 ARG HB3 H 1.799 0.015 1 710 146 72 ARG C C 176.229 0.25 1 711 146 72 ARG CA C 56.007 0.25 1 712 146 72 ARG CB C 30.475 0.25 1 713 146 72 ARG N N 122.080 0.25 1 714 147 73 LYS H H 8.324 0.015 1 715 147 73 LYS HA H 4.242 0.015 1 716 147 73 LYS HB2 H 1.746 0.015 1 717 147 73 LYS HB3 H 1.746 0.015 1 718 147 73 LYS C C 176.123 0.25 1 719 147 73 LYS CA C 56.260 0.25 1 720 147 73 LYS CB C 32.848 0.25 1 721 147 73 LYS N N 122.620 0.25 1 722 148 74 ASP H H 8.272 0.015 1 723 148 74 ASP HA H 4.531 0.015 1 724 148 74 ASP CA C 54.119 0.25 1 725 148 74 ASP N N 120.812 0.25 1 726 149 75 LYS H H 8.274 0.015 1 727 149 75 LYS HA H 4.267 0.015 1 728 149 75 LYS HB2 H 1.756 0.015 1 729 149 75 LYS HB3 H 1.848 0.015 1 730 149 75 LYS C C 176.907 0.25 1 731 149 75 LYS CA C 56.667 0.25 1 732 149 75 LYS CB C 32.658 0.25 1 733 149 75 LYS N N 121.579 0.25 1 734 150 76 THR H H 8.185 0.015 1 735 150 76 THR HA H 4.252 0.015 1 736 150 76 THR HB H 4.152 0.015 1 737 150 76 THR HG2 H 1.148 0.015 1 738 150 76 THR C C 174.536 0.25 1 739 150 76 THR CA C 61.893 0.25 1 740 150 76 THR CB C 69.408 0.25 1 741 150 76 THR CG2 C 21.283 0.25 1 742 150 76 THR N N 114.895 0.25 1 743 151 77 LEU H H 8.047 0.015 1 744 151 77 LEU HA H 4.314 0.015 1 745 151 77 LEU HB2 H 1.591 0.015 1 746 151 77 LEU HB3 H 1.548 0.015 1 747 151 77 LEU C C 177.142 0.25 1 748 151 77 LEU CA C 54.942 0.25 1 749 151 77 LEU CB C 41.960 0.25 1 750 151 77 LEU N N 123.962 0.25 1 751 152 78 LEU H H 8.081 0.015 1 752 152 78 LEU C C 177.216 0.25 1 753 152 78 LEU CA C 54.891 0.25 1 754 152 78 LEU CB C 42.003 0.25 1 755 152 78 LEU N N 122.597 0.25 1 756 153 79 ARG H H 8.171 0.015 1 757 153 79 ARG C C 175.900 0.25 1 758 153 79 ARG CA C 55.982 0.25 1 759 153 79 ARG CB C 30.541 0.25 1 760 153 79 ARG N N 121.199 0.25 1 761 154 80 ASP H H 8.254 0.015 1 762 154 80 ASP C C 176.461 0.25 1 763 154 80 ASP CA C 54.145 0.25 1 764 154 80 ASP CB C 40.912 0.25 1 765 154 80 ASP N N 121.350 0.25 1 766 155 81 GLU H H 8.447 0.015 1 767 155 81 GLU HA H 4.148 0.015 1 768 155 81 GLU HB2 H 2.036 0.015 1 769 155 81 GLU HB3 H 1.954 0.015 1 770 155 81 GLU HG2 H 2.255 0.015 1 771 155 81 GLU HG3 H 2.202 0.015 1 772 155 81 GLU C C 177.191 0.25 1 773 155 81 GLU CA C 57.380 0.25 1 774 155 81 GLU CB C 29.742 0.25 1 775 155 81 GLU CG C 36.012 0.25 1 776 155 81 GLU N N 122.356 0.25 1 777 156 82 LYS H H 8.269 0.015 1 778 156 82 LYS HA H 4.200 0.015 1 779 156 82 LYS HB2 H 1.800 0.015 1 780 156 82 LYS HB3 H 1.800 0.015 1 781 156 82 LYS C C 177.312 0.25 1 782 156 82 LYS CA C 56.753 0.25 1 783 156 82 LYS CB C 31.976 0.25 1 784 156 82 LYS N N 120.698 0.25 1 785 157 83 LYS H H 8.018 0.015 1 786 157 83 LYS HA H 4.183 0.015 1 787 157 83 LYS HB2 H 1.800 0.015 1 788 157 83 LYS HB3 H 1.800 0.015 1 789 157 83 LYS C C 177.107 0.25 1 790 157 83 LYS CA C 57.145 0.25 1 791 157 83 LYS CB C 32.383 0.25 1 792 157 83 LYS N N 120.946 0.25 1 793 158 84 MET H H 8.177 0.015 1 794 158 84 MET HA H 4.363 0.015 1 795 158 84 MET HB2 H 2.023 0.015 1 796 158 84 MET HB3 H 2.052 0.015 1 797 158 84 MET HE H 1.803 0.015 1 798 158 84 MET HG2 H 2.507 0.015 1 799 158 84 MET HG3 H 2.576 0.015 1 800 158 84 MET C C 176.782 0.25 1 801 158 84 MET CA C 55.763 0.25 1 802 158 84 MET CB C 32.252 0.25 1 803 158 84 MET CE C 15.758 0.25 1 804 158 84 MET CG C 31.804 0.25 1 805 158 84 MET N N 119.875 0.25 1 806 159 85 GLU H H 8.244 0.015 1 807 159 85 GLU HA H 4.168 0.015 1 808 159 85 GLU HB2 H 1.947 0.015 1 809 159 85 GLU HB3 H 1.947 0.015 1 810 159 85 GLU C C 176.983 0.25 1 811 159 85 GLU CA C 57.289 0.25 1 812 159 85 GLU CB C 29.740 0.25 1 813 159 85 GLU N N 121.530 0.25 1 814 160 86 LYS H H 8.113 0.015 1 815 160 86 LYS HA H 4.178 0.015 1 816 160 86 LYS HB2 H 1.781 0.015 1 817 160 86 LYS HB3 H 1.781 0.015 1 818 160 86 LYS C C 177.028 0.25 1 819 160 86 LYS CA C 56.647 0.25 1 820 160 86 LYS CB C 32.403 0.25 1 821 160 86 LYS N N 120.886 0.25 1 822 161 87 LEU H H 8.002 0.015 1 823 161 87 LEU HA H 4.208 0.015 1 824 161 87 LEU HB2 H 1.550 0.015 1 825 161 87 LEU HB3 H 1.643 0.015 1 826 161 87 LEU C C 177.571 0.25 1 827 161 87 LEU CA C 55.485 0.25 1 828 161 87 LEU CB C 41.885 0.25 1 829 161 87 LEU N N 121.566 0.25 1 830 162 88 LYS H H 8.077 0.015 1 831 162 88 LYS HA H 4.191 0.015 1 832 162 88 LYS HB2 H 1.758 0.015 1 833 162 88 LYS HB3 H 1.758 0.015 1 834 162 88 LYS C C 176.583 0.25 1 835 162 88 LYS CA C 56.440 0.25 1 836 162 88 LYS CB C 32.591 0.25 1 837 162 88 LYS N N 120.877 0.25 1 838 163 89 GLN H H 8.094 0.015 1 839 163 89 GLN HA H 4.236 0.015 1 840 163 89 GLN HB2 H 1.940 0.015 1 841 163 89 GLN HB3 H 2.033 0.015 1 842 163 89 GLN HE21 H 6.823 0.015 1 843 163 89 GLN HE22 H 7.482 0.015 1 844 163 89 GLN HG2 H 2.306 0.015 1 845 163 89 GLN HG3 H 2.306 0.015 1 846 163 89 GLN C C 175.686 0.25 1 847 163 89 GLN CA C 55.524 0.25 1 848 163 89 GLN CB C 29.277 0.25 1 849 163 89 GLN CG C 33.535 0.25 1 850 163 89 GLN N N 120.230 0.25 1 851 163 89 GLN NE2 N 112.104 0.25 1 852 164 90 LYS H H 8.179 0.015 1 853 164 90 LYS HA H 4.230 0.015 1 854 164 90 LYS HB2 H 1.702 0.015 1 855 164 90 LYS HB3 H 1.779 0.015 1 856 164 90 LYS HD2 H 1.636 0.015 1 857 164 90 LYS HD3 H 1.636 0.015 1 858 164 90 LYS HE2 H 2.946 0.015 1 859 164 90 LYS HE3 H 2.946 0.015 1 860 164 90 LYS HG2 H 1.399 0.015 1 861 164 90 LYS HG3 H 1.354 0.015 1 862 164 90 LYS C C 176.089 0.25 1 863 164 90 LYS CA C 56.123 0.25 1 864 164 90 LYS CB C 32.873 0.25 1 865 164 90 LYS CD C 28.697 0.25 1 866 164 90 LYS CE C 41.843 0.25 1 867 164 90 LYS CG C 24.335 0.25 1 868 164 90 LYS N N 122.011 0.25 1 869 165 91 LEU H H 8.186 0.015 1 870 165 91 LEU HA H 4.265 0.015 1 871 165 91 LEU HB2 H 1.419 0.015 1 872 165 91 LEU HB3 H 1.539 0.015 1 873 165 91 LEU HD1 H 0.842 0.015 1 874 165 91 LEU HD2 H 0.777 0.015 1 875 165 91 LEU C C 176.582 0.25 1 876 165 91 LEU CA C 54.842 0.25 1 877 165 91 LEU CB C 42.279 0.25 1 878 165 91 LEU CD1 C 24.452 0.25 1 879 165 91 LEU CD2 C 23.123 0.25 1 880 165 91 LEU N N 122.803 0.25 1 881 166 92 HIS H H 8.344 0.015 1 882 166 92 HIS HA H 4.674 0.015 1 883 166 92 HIS HB2 H 3.055 0.015 1 884 166 92 HIS HB3 H 3.148 0.015 1 885 166 92 HIS HD2 H 7.064 0.015 1 886 166 92 HIS HE1 H 8.120 0.015 1 887 166 92 HIS C C 175.118 0.25 1 888 166 92 HIS CA C 55.666 0.25 1 889 166 92 HIS CB C 29.779 0.25 1 890 166 92 HIS CD2 C 120.219 0.25 1 891 166 92 HIS CE1 C 137.320 0.25 1 892 166 92 HIS N N 119.381 0.25 1 893 167 93 THR H H 8.051 0.015 1 894 167 93 THR HA H 4.311 0.015 1 895 167 93 THR HB H 4.230 0.015 1 896 167 93 THR HG2 H 1.117 0.015 1 897 167 93 THR C C 174.620 0.25 1 898 167 93 THR CA C 61.465 0.25 1 899 167 93 THR CB C 69.610 0.25 1 900 167 93 THR CG2 C 21.349 0.25 1 901 167 93 THR N N 114.381 0.25 1 902 168 94 ASP H H 8.483 0.015 1 903 168 94 ASP HA H 4.582 0.015 1 904 168 94 ASP HB2 H 2.628 0.015 1 905 168 94 ASP HB3 H 2.751 0.015 1 906 168 94 ASP C C 176.315 0.25 1 907 168 94 ASP CA C 54.818 0.25 1 908 168 94 ASP CB C 40.671 0.25 1 909 168 94 ASP N N 121.816 0.25 1 910 169 95 ASP H H 8.176 0.015 1 911 169 95 ASP HA H 4.550 0.015 1 912 169 95 ASP HB2 H 2.681 0.015 1 913 169 95 ASP HB3 H 2.609 0.015 1 914 169 95 ASP C C 176.367 0.25 1 915 169 95 ASP CA C 54.720 0.25 1 916 169 95 ASP CB C 41.062 0.25 1 917 169 95 ASP N N 119.551 0.25 1 918 170 96 GLU H H 8.146 0.015 1 919 170 96 GLU HA H 4.141 0.015 1 920 170 96 GLU HB2 H 1.910 0.015 1 921 170 96 GLU HB3 H 2.020 0.015 1 922 170 96 GLU HG2 H 2.130 0.015 1 923 170 96 GLU HG3 H 2.203 0.015 1 924 170 96 GLU C C 176.427 0.25 1 925 170 96 GLU CA C 56.412 0.25 1 926 170 96 GLU CB C 29.717 0.25 1 927 170 96 GLU CG C 35.909 0.25 1 928 170 96 GLU N N 119.647 0.25 1 929 171 97 LEU H H 7.765 0.015 1 930 171 97 LEU HA H 4.159 0.015 1 931 171 97 LEU HB2 H 0.781 0.015 1 932 171 97 LEU HB3 H 1.247 0.015 1 933 171 97 LEU HD1 H 0.631 0.015 1 934 171 97 LEU HD2 H 0.664 0.015 1 935 171 97 LEU HG H 1.490 0.015 1 936 171 97 LEU C C 176.427 0.25 1 937 171 97 LEU CA C 54.369 0.25 1 938 171 97 LEU CB C 41.941 0.25 1 939 171 97 LEU CD1 C 22.671 0.25 1 940 171 97 LEU CD2 C 25.153 0.25 1 941 171 97 LEU CG C 26.576 0.25 1 942 171 97 LEU N N 120.843 0.25 1 943 172 98 ASN H H 8.325 0.015 1 944 172 98 ASN HA H 4.817 0.015 1 945 172 98 ASN HB2 H 2.656 0.015 1 946 172 98 ASN HB3 H 2.908 0.015 1 947 172 98 ASN HD21 H 7.461 0.015 1 948 172 98 ASN HD22 H 6.950 0.015 1 949 172 98 ASN C C 174.388 0.25 1 950 172 98 ASN CA C 51.947 0.25 1 951 172 98 ASN CB C 37.744 0.25 1 952 172 98 ASN N N 119.279 0.25 1 953 172 98 ASN ND2 N 112.006 0.25 1 954 173 99 TRP H H 7.708 0.015 1 955 173 99 TRP HA H 4.695 0.015 1 956 173 99 TRP HB2 H 3.025 0.015 1 957 173 99 TRP HB3 H 3.609 0.015 1 958 173 99 TRP HD1 H 7.309 0.015 1 959 173 99 TRP HE1 H 10.295 0.015 1 960 173 99 TRP HE3 H 7.588 0.015 1 961 173 99 TRP HH2 H 6.829 0.015 1 962 173 99 TRP HZ2 H 7.368 0.015 1 963 173 99 TRP HZ3 H 6.701 0.015 1 964 173 99 TRP C C 177.554 0.25 1 965 173 99 TRP CA C 57.009 0.25 1 966 173 99 TRP CB C 29.635 0.25 1 967 173 99 TRP CD1 C 128.212 0.25 1 968 173 99 TRP CE3 C 121.739 0.25 1 969 173 99 TRP CH2 C 123.951 0.25 1 970 173 99 TRP CZ2 C 114.597 0.25 1 971 173 99 TRP CZ3 C 121.748 0.25 1 972 173 99 TRP N N 122.943 0.25 1 973 173 99 TRP NE1 N 130.035 0.25 1 974 174 100 LEU H H 8.489 0.015 1 975 174 100 LEU HA H 4.298 0.015 1 976 174 100 LEU HB2 H 1.337 0.015 1 977 174 100 LEU HB3 H 1.674 0.015 1 978 174 100 LEU HD1 H 0.717 0.015 1 979 174 100 LEU HD2 H 0.716 0.015 1 980 174 100 LEU C C 175.959 0.25 1 981 174 100 LEU CA C 54.766 0.25 1 982 174 100 LEU CB C 42.490 0.25 1 983 174 100 LEU CD1 C 26.637 0.25 1 984 174 100 LEU CD2 C 23.436 0.25 1 985 174 100 LEU N N 122.253 0.25 1 986 175 101 ASP H H 9.125 0.015 1 987 175 101 ASP HA H 4.676 0.015 1 988 175 101 ASP HB2 H 2.617 0.015 1 989 175 101 ASP HB3 H 2.617 0.015 1 990 175 101 ASP C C 178.549 0.25 1 991 175 101 ASP CA C 53.284 0.25 1 992 175 101 ASP CB C 41.249 0.25 1 993 175 101 ASP N N 121.643 0.25 1 994 176 102 HIS H H 9.289 0.015 1 995 176 102 HIS HA H 4.268 0.015 1 996 176 102 HIS HB2 H 3.035 0.015 1 997 176 102 HIS HB3 H 3.552 0.015 1 998 176 102 HIS HD2 H 6.960 0.015 1 999 176 102 HIS HE1 H 8.047 0.015 1 1000 176 102 HIS C C 176.145 0.25 1 1001 176 102 HIS CA C 58.707 0.25 1 1002 176 102 HIS CB C 27.981 0.25 1 1003 176 102 HIS CD2 C 123.596 0.25 1 1004 176 102 HIS CE1 C 138.615 0.25 1 1005 176 102 HIS N N 126.517 0.25 1 1006 177 103 GLY H H 8.757 0.015 1 1007 177 103 GLY HA2 H 3.734 0.015 1 1008 177 103 GLY HA3 H 4.364 0.015 1 1009 177 103 GLY C C 173.364 0.25 1 1010 177 103 GLY CA C 44.956 0.25 1 1011 177 103 GLY N N 105.425 0.25 1 1012 178 104 ARG H H 7.026 0.015 1 1013 178 104 ARG HA H 4.882 0.015 1 1014 178 104 ARG HB2 H 1.991 0.015 1 1015 178 104 ARG HB3 H 1.991 0.015 1 1016 178 104 ARG HD2 H 3.026 0.015 1 1017 178 104 ARG HD3 H 3.112 0.015 1 1018 178 104 ARG HE H 7.462 0.015 1 1019 178 104 ARG HG2 H 1.557 0.015 1 1020 178 104 ARG HG3 H 1.639 0.015 1 1021 178 104 ARG C C 176.089 0.25 1 1022 178 104 ARG CA C 53.771 0.25 1 1023 178 104 ARG CB C 35.525 0.25 1 1024 178 104 ARG CD C 43.863 0.25 1 1025 178 104 ARG CG C 27.476 0.25 1 1026 178 104 ARG N N 117.218 0.25 1 1027 178 104 ARG NE N 85.022 0.25 1 1028 179 105 THR H H 9.021 0.015 1 1029 179 105 THR HA H 4.548 0.015 1 1030 179 105 THR HB H 4.653 0.015 1 1031 179 105 THR HG2 H 1.062 0.015 1 1032 179 105 THR C C 178.839 0.25 1 1033 179 105 THR CA C 60.894 0.25 1 1034 179 105 THR CB C 70.825 0.25 1 1035 179 105 THR CG2 C 21.104 0.25 1 1036 179 105 THR N N 112.074 0.25 1 1037 180 106 LEU H H 9.170 0.015 1 1038 180 106 LEU HA H 3.885 0.015 1 1039 180 106 LEU HB2 H 1.860 0.015 1 1040 180 106 LEU HB3 H 1.297 0.015 1 1041 180 106 LEU HD1 H 0.771 0.015 1 1042 180 106 LEU HD2 H 0.640 0.015 1 1043 180 106 LEU HG H 1.776 0.015 1 1044 180 106 LEU C C 179.721 0.25 1 1045 180 106 LEU CA C 58.067 0.25 1 1046 180 106 LEU CB C 40.861 0.25 1 1047 180 106 LEU CD1 C 26.031 0.25 1 1048 180 106 LEU CD2 C 23.937 0.25 1 1049 180 106 LEU CG C 26.174 0.25 1 1050 180 106 LEU N N 121.118 0.25 1 1051 181 107 ARG H H 8.508 0.015 1 1052 181 107 ARG HA H 4.056 0.015 1 1053 181 107 ARG HB2 H 1.707 0.015 1 1054 181 107 ARG HB3 H 1.846 0.015 1 1055 181 107 ARG HD2 H 3.148 0.015 1 1056 181 107 ARG HD3 H 3.148 0.015 1 1057 181 107 ARG HG2 H 1.580 0.015 1 1058 181 107 ARG HG3 H 1.580 0.015 1 1059 181 107 ARG C C 180.358 0.25 1 1060 181 107 ARG CA C 58.744 0.25 1 1061 181 107 ARG CB C 29.581 0.25 1 1062 181 107 ARG CD C 42.978 0.25 1 1063 181 107 ARG CG C 26.605 0.25 1 1064 181 107 ARG N N 119.116 0.25 1 1065 182 108 GLU H H 7.783 0.015 1 1066 182 108 GLU HA H 4.078 0.015 1 1067 182 108 GLU HB2 H 1.938 0.015 1 1068 182 108 GLU HB3 H 2.233 0.015 1 1069 182 108 GLU HG2 H 2.232 0.015 1 1070 182 108 GLU HG3 H 2.396 0.015 1 1071 182 108 GLU C C 176.851 0.25 1 1072 182 108 GLU CA C 57.944 0.25 1 1073 182 108 GLU CB C 30.090 0.25 1 1074 182 108 GLU CG C 37.340 0.25 1 1075 182 108 GLU N N 117.972 0.25 1 1076 183 109 GLN H H 7.242 0.015 1 1077 183 109 GLN HA H 4.577 0.015 1 1078 183 109 GLN HB2 H 2.084 0.015 1 1079 183 109 GLN HB3 H 2.084 0.015 1 1080 183 109 GLN HE21 H 6.405 0.015 1 1081 183 109 GLN HE22 H 7.411 0.015 1 1082 183 109 GLN HG2 H 2.311 0.015 1 1083 183 109 GLN HG3 H 2.471 0.015 1 1084 183 109 GLN C C 174.970 0.25 1 1085 183 109 GLN CA C 54.869 0.25 1 1086 183 109 GLN CB C 30.282 0.25 1 1087 183 109 GLN CG C 34.739 0.25 1 1088 183 109 GLN N N 114.538 0.25 1 1089 183 109 GLN NE2 N 113.094 0.25 1 1090 184 110 GLY H H 7.576 0.015 1 1091 184 110 GLY HA2 H 3.731 0.015 1 1092 184 110 GLY HA3 H 3.995 0.015 1 1093 184 110 GLY C C 173.847 0.25 1 1094 184 110 GLY CA C 46.183 0.25 1 1095 184 110 GLY N N 107.387 0.25 1 1096 185 111 VAL H H 7.485 0.015 1 1097 185 111 VAL HA H 3.891 0.015 1 1098 185 111 VAL HB H 1.689 0.015 1 1099 185 111 VAL HG1 H 0.726 0.015 1 1100 185 111 VAL HG2 H 0.791 0.015 1 1101 185 111 VAL C C 176.480 0.25 1 1102 185 111 VAL CA C 62.097 0.25 1 1103 185 111 VAL CB C 30.891 0.25 1 1104 185 111 VAL CG1 C 21.200 0.25 1 1105 185 111 VAL CG2 C 21.207 0.25 1 1106 185 111 VAL N N 119.800 0.25 1 1107 186 112 GLU H H 8.935 0.015 1 1108 186 112 GLU HA H 4.355 0.015 1 1109 186 112 GLU HB2 H 1.693 0.015 1 1110 186 112 GLU HB3 H 2.186 0.015 1 1111 186 112 GLU HG2 H 2.444 0.015 1 1112 186 112 GLU HG3 H 2.254 0.015 1 1113 186 112 GLU C C 177.022 0.25 1 1114 186 112 GLU CA C 55.650 0.25 1 1115 186 112 GLU CB C 31.052 0.25 1 1116 186 112 GLU CG C 36.315 0.25 1 1117 186 112 GLU N N 130.417 0.25 1 1118 187 113 GLU H H 9.168 0.015 1 1119 187 113 GLU HA H 3.869 0.015 1 1120 187 113 GLU HB2 H 2.006 0.015 1 1121 187 113 GLU HB3 H 1.965 0.015 1 1122 187 113 GLU HG2 H 2.143 0.015 1 1123 187 113 GLU HG3 H 2.274 0.015 1 1124 187 113 GLU C C 176.472 0.25 1 1125 187 113 GLU CA C 59.621 0.25 1 1126 187 113 GLU CB C 29.447 0.25 1 1127 187 113 GLU CG C 36.706 0.25 1 1128 187 113 GLU N N 121.030 0.25 1 1129 188 114 HIS H H 7.613 0.015 1 1130 188 114 HIS HA H 4.549 0.015 1 1131 188 114 HIS HB2 H 3.272 0.015 1 1132 188 114 HIS HB3 H 3.018 0.015 1 1133 188 114 HIS HD2 H 7.016 0.015 1 1134 188 114 HIS HE1 H 7.859 0.015 1 1135 188 114 HIS C C 175.608 0.25 1 1136 188 114 HIS CA C 55.864 0.25 1 1137 188 114 HIS CB C 29.979 0.25 1 1138 188 114 HIS CD2 C 118.587 0.25 1 1139 188 114 HIS CE1 C 139.055 0.25 1 1140 188 114 HIS N N 112.437 0.25 1 1141 189 115 GLU H H 6.982 0.015 1 1142 189 115 GLU HA H 4.036 0.015 1 1143 189 115 GLU HB2 H 1.821 0.015 1 1144 189 115 GLU HB3 H 1.902 0.015 1 1145 189 115 GLU HG2 H 1.839 0.015 1 1146 189 115 GLU HG3 H 2.012 0.015 1 1147 189 115 GLU C C 175.813 0.25 1 1148 189 115 GLU CA C 57.480 0.25 1 1149 189 115 GLU CB C 30.669 0.25 1 1150 189 115 GLU CG C 37.693 0.25 1 1151 189 115 GLU N N 121.462 0.25 1 1152 190 116 THR H H 8.663 0.015 1 1153 190 116 THR HA H 4.602 0.015 1 1154 190 116 THR HB H 3.921 0.015 1 1155 190 116 THR HG2 H 0.968 0.015 1 1156 190 116 THR C C 173.968 0.25 1 1157 190 116 THR CA C 62.035 0.25 1 1158 190 116 THR CB C 69.273 0.25 1 1159 190 116 THR CG2 C 22.037 0.25 1 1160 190 116 THR N N 120.887 0.25 1 1161 191 117 LEU H H 8.421 0.015 1 1162 191 117 LEU HA H 4.963 0.015 1 1163 191 117 LEU HB2 H 1.274 0.015 1 1164 191 117 LEU HB3 H 1.632 0.015 1 1165 191 117 LEU HD1 H 0.822 0.015 1 1166 191 117 LEU HD2 H 0.784 0.015 1 1167 191 117 LEU HG H 1.651 0.015 1 1168 191 117 LEU C C 174.612 0.25 1 1169 191 117 LEU CA C 52.342 0.25 1 1170 191 117 LEU CB C 44.147 0.25 1 1171 191 117 LEU CD1 C 27.224 0.25 1 1172 191 117 LEU CD2 C 23.242 0.25 1 1173 191 117 LEU CG C 27.149 0.25 1 1174 191 117 LEU N N 125.784 0.25 1 1175 192 118 LEU H H 9.087 0.015 1 1176 192 118 LEU HA H 4.751 0.015 1 1177 192 118 LEU HB2 H 1.565 0.015 1 1178 192 118 LEU HB3 H 1.454 0.015 1 1179 192 118 LEU HD1 H 0.716 0.015 1 1180 192 118 LEU HD2 H 0.746 0.015 1 1181 192 118 LEU HG H 1.381 0.015 1 1182 192 118 LEU C C 175.637 0.25 1 1183 192 118 LEU CA C 53.902 0.25 1 1184 192 118 LEU CB C 42.917 0.25 1 1185 192 118 LEU CD1 C 24.882 0.25 1 1186 192 118 LEU CD2 C 24.092 0.25 1 1187 192 118 LEU CG C 27.135 0.25 1 1188 192 118 LEU N N 121.460 0.25 1 1189 193 119 LEU H H 8.017 0.015 1 1190 193 119 LEU HA H 4.900 0.015 1 1191 193 119 LEU HB2 H 1.057 0.015 1 1192 193 119 LEU HB3 H 1.904 0.015 1 1193 193 119 LEU HD1 H 0.621 0.015 1 1194 193 119 LEU HD2 H 0.781 0.015 1 1195 193 119 LEU HG H 1.427 0.015 1 1196 193 119 LEU C C 175.590 0.25 1 1197 193 119 LEU CA C 54.360 0.25 1 1198 193 119 LEU CB C 43.194 0.25 1 1199 193 119 LEU CD1 C 26.383 0.25 1 1200 193 119 LEU CD2 C 24.078 0.25 1 1201 193 119 LEU CG C 27.170 0.25 1 1202 193 119 LEU N N 126.254 0.25 1 1203 194 120 ARG H H 8.652 0.015 1 1204 194 120 ARG HA H 4.762 0.015 1 1205 194 120 ARG HB2 H 1.762 0.015 1 1206 194 120 ARG HB3 H 1.533 0.015 1 1207 194 120 ARG HD2 H 2.994 0.015 1 1208 194 120 ARG HD3 H 2.994 0.015 1 1209 194 120 ARG HG2 H 1.454 0.015 1 1210 194 120 ARG HG3 H 1.454 0.015 1 1211 194 120 ARG C C 174.080 0.25 1 1212 194 120 ARG CA C 53.842 0.25 1 1213 194 120 ARG CB C 34.265 0.25 1 1214 194 120 ARG CD C 42.926 0.25 1 1215 194 120 ARG CG C 26.592 0.25 1 1216 194 120 ARG N N 125.681 0.25 1 1217 195 121 ARG H H 8.785 0.015 1 1218 195 121 ARG HA H 3.620 0.015 1 1219 195 121 ARG HB2 H 1.228 0.015 1 1220 195 121 ARG HB3 H 1.543 0.015 1 1221 195 121 ARG HD2 H 2.731 0.015 1 1222 195 121 ARG HD3 H 2.731 0.015 1 1223 195 121 ARG HG2 H 0.822 0.015 1 1224 195 121 ARG HG3 H 0.822 0.015 1 1225 195 121 ARG C C 174.925 0.25 1 1226 195 121 ARG CA C 56.609 0.25 1 1227 195 121 ARG CB C 30.147 0.25 1 1228 195 121 ARG CD C 43.230 0.25 1 1229 195 121 ARG CG C 26.871 0.25 1 1230 195 121 ARG N N 125.176 0.25 1 1231 196 122 LYS H H 8.391 0.015 1 1232 196 122 LYS HA H 3.828 0.015 1 1233 196 122 LYS HB2 H 0.858 0.015 1 1234 196 122 LYS HB3 H 0.917 0.015 1 1235 196 122 LYS HD2 H 0.845 0.015 1 1236 196 122 LYS HD3 H 0.503 0.015 1 1237 196 122 LYS HE2 H 1.939 0.015 1 1238 196 122 LYS HE3 H 2.200 0.015 1 1239 196 122 LYS HG2 H 0.131 0.015 1 1240 196 122 LYS HG3 H 0.166 0.015 1 1241 196 122 LYS C C 175.080 0.25 1 1242 196 122 LYS CA C 56.686 0.25 1 1243 196 122 LYS CB C 34.290 0.25 1 1244 196 122 LYS CD C 28.975 0.25 1 1245 196 122 LYS CE C 41.386 0.25 1 1246 196 122 LYS CG C 24.729 0.25 1 1247 196 122 LYS N N 126.993 0.25 1 1248 197 123 PHE H H 7.593 0.015 1 1249 197 123 PHE HA H 4.526 0.015 1 1250 197 123 PHE HB2 H 2.458 0.015 1 1251 197 123 PHE HB3 H 2.715 0.015 1 1252 197 123 PHE HD1 H 7.044 0.015 3 1253 197 123 PHE HD2 H 7.044 0.015 3 1254 197 123 PHE HE1 H 7.122 0.015 3 1255 197 123 PHE HE2 H 7.122 0.015 3 1256 197 123 PHE C C 173.906 0.25 1 1257 197 123 PHE CA C 55.945 0.25 1 1258 197 123 PHE CB C 40.885 0.25 1 1259 197 123 PHE CD1 C 131.862 0.25 3 1260 197 123 PHE CD2 C 131.862 0.25 3 1261 197 123 PHE CE1 C 131.276 0.25 3 1262 197 123 PHE CE2 C 131.276 0.25 3 1263 197 123 PHE N N 117.499 0.25 1 1264 198 124 PHE H H 8.197 0.015 1 1265 198 124 PHE HA H 4.459 0.015 1 1266 198 124 PHE HB2 H 2.979 0.015 1 1267 198 124 PHE HB3 H 2.711 0.015 1 1268 198 124 PHE HD1 H 6.984 0.015 3 1269 198 124 PHE HD2 H 6.984 0.015 3 1270 198 124 PHE HE1 H 7.111 0.015 3 1271 198 124 PHE HE2 H 7.111 0.015 3 1272 198 124 PHE C C 175.117 0.25 1 1273 198 124 PHE CA C 56.833 0.25 1 1274 198 124 PHE CB C 39.308 0.25 1 1275 198 124 PHE CD1 C 131.723 0.25 3 1276 198 124 PHE CD2 C 131.723 0.25 3 1277 198 124 PHE CE1 C 129.266 0.25 3 1278 198 124 PHE CE2 C 129.266 0.25 3 1279 198 124 PHE N N 119.975 0.25 1 1280 199 125 TYR H H 7.902 0.015 1 1281 199 125 TYR HA H 4.526 0.015 1 1282 199 125 TYR HB2 H 2.819 0.015 1 1283 199 125 TYR HB3 H 3.003 0.015 1 1284 199 125 TYR HD1 H 7.010 0.015 3 1285 199 125 TYR HD2 H 7.010 0.015 3 1286 199 125 TYR HE1 H 6.634 0.015 3 1287 199 125 TYR HE2 H 6.634 0.015 3 1288 199 125 TYR C C 176.217 0.25 1 1289 199 125 TYR CA C 57.398 0.25 1 1290 199 125 TYR CB C 38.429 0.25 1 1291 199 125 TYR CD1 C 132.838 0.25 3 1292 199 125 TYR CD2 C 132.838 0.25 3 1293 199 125 TYR CE1 C 118.186 0.25 3 1294 199 125 TYR CE2 C 118.186 0.25 3 1295 199 125 TYR N N 121.184 0.25 1 1296 200 126 SER H H 8.305 0.015 1 1297 200 126 SER HA H 4.387 0.015 1 1298 200 126 SER HB2 H 3.752 0.015 1 1299 200 126 SER HB3 H 3.858 0.015 1 1300 200 126 SER C C 173.997 0.25 1 1301 200 126 SER CA C 58.088 0.25 1 1302 200 126 SER CB C 63.548 0.25 1 1303 200 126 SER N N 116.500 0.25 1 1304 201 127 ASP H H 8.207 0.015 1 1305 201 127 ASP HA H 4.624 0.015 1 1306 201 127 ASP HB2 H 2.635 0.015 1 1307 201 127 ASP HB3 H 2.709 0.015 1 1308 201 127 ASP C C 175.241 0.25 1 1309 201 127 ASP CA C 54.177 0.25 1 1310 201 127 ASP CB C 40.713 0.25 1 1311 201 127 ASP N N 122.179 0.25 1 1312 202 128 GLN H H 7.745 0.015 1 1313 202 128 GLN HA H 4.106 0.015 1 1314 202 128 GLN HB2 H 2.081 0.015 1 1315 202 128 GLN HB3 H 1.875 0.015 1 1316 202 128 GLN HE21 H 6.718 0.015 1 1317 202 128 GLN HE22 H 7.464 0.015 1 1318 202 128 GLN HG2 H 2.247 0.015 1 1319 202 128 GLN HG3 H 2.247 0.015 1 1320 202 128 GLN C C 180.545 0.25 1 1321 202 128 GLN CA C 57.037 0.25 1 1322 202 128 GLN CB C 30.183 0.25 1 1323 202 128 GLN CG C 33.957 0.25 1 1324 202 128 GLN N N 124.314 0.25 1 1325 202 128 GLN NE2 N 112.296 0.25 1 stop_ save_