data_19694 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of FHL2 LIM adaptor and its Interaction with Ski ; _BMRB_accession_number 19694 _BMRB_flat_file_name bmr19694.str _Entry_type original _Submission_date 2013-12-20 _Accession_date 2013-12-20 _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 Yang Yanwu . . 2 Sun Yaqin . . 3 Medrano Estela E. . 4 Yian Xiao-Li . . 5 Weiss Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 535 "13C chemical shifts" 303 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-01-13 original author . stop_ _Original_release_date 2014-01-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of FHL2 LIM adaptor and its Interaction with Ski' _Citation_status submitted _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 Yang Yanwu . . 2 Sun Yaqin . . 3 Medrano Estela E. . 4 Yian Xiao-Li . . 5 Weiss Michael A. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FHL2 LIM adaptor and its Interaction with Ski' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FHL2 LIM adaptor' $FHL2_LIM 'ZINC ION_1' $entity_ZN 'ZINC ION_2' $entity_ZN 'ZINC ION_3' $entity_ZN 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_FHL2_LIM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 11485.008 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; MTERFDCHHCNESLFGKKYI LREESPYCVVCFETLFANTC EECGKPIGCDCKDLSYKDRH WHEACFHCSQCRNSLVDKPF AAKEDQLLCTDCYSNEYS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 THR 3 3 GLU 4 4 ARG 5 5 PHE 6 6 ASP 7 7 CYS 8 8 HIS 9 9 HIS 10 10 CYS 11 11 ASN 12 12 GLU 13 13 SER 14 14 LEU 15 15 PHE 16 16 GLY 17 17 LYS 18 18 LYS 19 19 TYR 20 20 ILE 21 21 LEU 22 22 ARG 23 23 GLU 24 24 GLU 25 25 SER 26 26 PRO 27 27 TYR 28 28 CYS 29 29 VAL 30 30 VAL 31 31 CYS 32 32 PHE 33 33 GLU 34 34 THR 35 35 LEU 36 36 PHE 37 37 ALA 38 38 ASN 39 39 THR 40 40 CYS 41 41 GLU 42 42 GLU 43 43 CYS 44 44 GLY 45 45 LYS 46 46 PRO 47 47 ILE 48 48 GLY 49 49 CYS 50 50 ASP 51 51 CYS 52 52 LYS 53 53 ASP 54 54 LEU 55 55 SER 56 56 TYR 57 57 LYS 58 58 ASP 59 59 ARG 60 60 HIS 61 61 TRP 62 62 HIS 63 63 GLU 64 64 ALA 65 65 CYS 66 66 PHE 67 67 HIS 68 68 CYS 69 69 SER 70 70 GLN 71 71 CYS 72 72 ARG 73 73 ASN 74 74 SER 75 75 LEU 76 76 VAL 77 77 ASP 78 78 LYS 79 79 PRO 80 80 PHE 81 81 ALA 82 82 ALA 83 83 LYS 84 84 GLU 85 85 ASP 86 86 GLN 87 87 LEU 88 88 LEU 89 89 CYS 90 90 THR 91 91 ASP 92 92 CYS 93 93 TYR 94 94 SER 95 95 ASN 96 96 GLU 97 97 TYR 98 98 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 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 2MIU "Structure Of Fhl2 Lim Adaptor And Its Interaction With Ski" 100.00 98 100.00 100.00 7.31e-65 DBJ BAD69710 "splice variant of four and a half LIM domain protein 2 [Homo sapiens]" 53.06 151 100.00 100.00 1.09e-30 GB AAY14896 "unknown [Homo sapiens]" 100.00 110 100.00 100.00 6.40e-65 REF XP_011509101 "PREDICTED: four and a half LIM domains protein 2 isoform X3 [Homo sapiens]" 54.08 166 100.00 100.00 3.21e-30 REF XP_011509102 "PREDICTED: four and a half LIM domains protein 2 isoform X3 [Homo sapiens]" 54.08 166 100.00 100.00 3.21e-30 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FHL2_LIM human 9606 Eukaryota Metazoa Homo sapiens 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 $FHL2_LIM 'recombinant technology' . Escherichia coli BL21DE3 pGEX-5X-3 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'sodium phosphate' 50 mM . . 'natural abundance' H2O 93 % . . 'natural abundance' D2O 7 % . . '[U-100% 2H]' 'sodium chloride' 50 mM . . 'natural abundance' $FHL2_LIM . mM 0.5 0.8 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'peak picking' 'data analysis' stop_ _Details . save_ save_InsightII _Saveframe_category software _Name InsightII _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 0.05 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'FHL2 LIM adaptor' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.4200 . . 2 1 1 MET HB2 H 2.2600 . . 3 1 1 MET HB3 H 1.9100 . . 4 1 1 MET HG2 H 2.7500 . . 5 1 1 MET HG3 H 2.5400 . . 6 1 1 MET HE H 2.1100 . . 7 1 1 MET CA C 63.4400 . . 8 1 1 MET CB C 32.1900 . . 9 1 1 MET CG C 32.4500 . . 10 1 1 MET CE C 16.9600 . . 11 2 2 THR H H 8.0900 . . 12 2 2 THR HA H 4.2400 . . 13 2 2 THR HB H 4.2000 . . 14 2 2 THR HG2 H 1.1800 . . 15 2 2 THR CA C 62.1300 . . 16 2 2 THR CB C 69.2500 . . 17 2 2 THR CG2 C 21.7800 . . 18 2 2 THR N N 113.5700 . . 19 3 3 GLU H H 8.2800 . . 20 3 3 GLU HA H 4.2800 . . 21 3 3 GLU HB2 H 1.9200 . . 22 3 3 GLU HB3 H 2.0100 . . 23 3 3 GLU HG2 H 2.2200 . . 24 3 3 GLU CA C 56.8600 . . 25 3 3 GLU CB C 30.5700 . . 26 3 3 GLU CG C 36.3500 . . 27 3 3 GLU N N 122.8800 . . 28 4 4 ARG H H 8.2800 . . 29 4 4 ARG HA H 4.3000 . . 30 4 4 ARG HB2 H 1.8100 . . 31 4 4 ARG HB3 H 1.6400 . . 32 4 4 ARG HG2 H 1.4700 . . 33 4 4 ARG HG3 H 1.5800 . . 34 4 4 ARG HD2 H 3.2000 . . 35 4 4 ARG HD3 H 3.0700 . . 36 4 4 ARG HE H 6.2000 . . 37 4 4 ARG CA C 55.8700 . . 38 4 4 ARG CB C 31.6400 . . 39 4 4 ARG CG C 27.5000 . . 40 4 4 ARG CD C 42.6600 . . 41 4 4 ARG N N 121.3300 . . 42 5 5 PHE H H 8.2900 . . 43 5 5 PHE HA H 4.6100 . . 44 5 5 PHE HB2 H 2.4000 . . 45 5 5 PHE HB3 H 2.5700 . . 46 5 5 PHE HD1 H 6.7600 . . 47 5 5 PHE HD2 H 6.7600 . . 48 5 5 PHE HE1 H 7.2800 . . 49 5 5 PHE HE2 H 7.2800 . . 50 5 5 PHE HZ H 6.7600 . . 51 5 5 PHE CA C 56.3800 . . 52 5 5 PHE CB C 39.5600 . . 53 5 5 PHE CD1 C 131.6100 . . 54 5 5 PHE CD2 C 131.6100 . . 55 5 5 PHE N N 125.4900 . . 56 6 6 ASP H H 7.9400 . . 57 6 6 ASP HA H 5.0450 . . 58 6 6 ASP HB2 H 2.0700 . . 59 6 6 ASP CA C 52.1800 . . 60 6 6 ASP CB C 44.2100 . . 61 6 6 ASP N N 123.2600 . . 62 7 7 CYS H H 8.7000 . . 63 7 7 CYS HA H 3.9600 . . 64 7 7 CYS HB2 H 3.3600 . . 65 7 7 CYS HB3 H 2.7800 . . 66 7 7 CYS CA C 59.8200 . . 67 7 7 CYS CB C 30.9500 . . 68 7 7 CYS N N 121.4400 . . 69 8 8 HIS H H 9.1600 . . 70 8 8 HIS HA H 4.2000 . . 71 8 8 HIS HB2 H 2.3150 . . 72 8 8 HIS HB3 H 2.7500 . . 73 8 8 HIS HD2 H 7.5800 . . 74 8 8 HIS HE1 H 7.2400 . . 75 8 8 HIS CA C 58.2400 . . 76 8 8 HIS CB C 29.4800 . . 77 8 8 HIS N N 129.3900 . . 78 9 9 HIS H H 9.2700 . . 79 9 9 HIS HA H 4.8800 . . 80 9 9 HIS HB2 H 4.3200 . . 81 9 9 HIS HB3 H 3.0950 . . 82 9 9 HIS HD2 H 7.7200 . . 83 9 9 HIS HE1 H 7.2400 . . 84 9 9 HIS CA C 58.6800 . . 85 9 9 HIS CB C 31.0400 . . 86 9 9 HIS N N 118.7400 . . 87 10 10 CYS H H 8.5500 . . 88 10 10 CYS HA H 4.6000 . . 89 10 10 CYS HB2 H 2.7100 . . 90 10 10 CYS HB3 H 3.2600 . . 91 10 10 CYS CA C 59.6000 . . 92 10 10 CYS CB C 32.3300 . . 93 10 10 CYS N N 118.6000 . . 94 11 11 ASN H H 7.6900 . . 95 11 11 ASN HA H 4.4100 . . 96 11 11 ASN HB2 H 2.8500 . . 97 11 11 ASN HB3 H 2.9900 . . 98 11 11 ASN HD21 H 7.3200 . . 99 11 11 ASN HD22 H 6.5600 . . 100 11 11 ASN CA C 55.6400 . . 101 11 11 ASN CB C 38.2000 . . 102 11 11 ASN N N 116.2200 . . 103 11 11 ASN ND2 N 112.1100 . . 104 12 12 GLU H H 8.2100 . . 105 12 12 GLU HA H 4.2200 . . 106 12 12 GLU HB2 H 2.0200 . . 107 12 12 GLU HG2 H 2.4450 . . 108 12 12 GLU HG3 H 2.3000 . . 109 12 12 GLU CA C 56.7000 . . 110 12 12 GLU CB C 30.9100 . . 111 12 12 GLU CG C 36.7600 . . 112 12 12 GLU N N 120.3300 . . 113 13 13 SER H H 8.5200 . . 114 13 13 SER HA H 4.0600 . . 115 13 13 SER HB2 H 3.8900 . . 116 13 13 SER CA C 59.3500 . . 117 13 13 SER CB C 63.8200 . . 118 13 13 SER N N 116.1900 . . 119 14 14 LEU H H 8.9100 . . 120 14 14 LEU HA H 4.3100 . . 121 14 14 LEU HB2 H 1.2400 . . 122 14 14 LEU HB3 H 0.8700 . . 123 14 14 LEU HG H 1.4200 . . 124 14 14 LEU HD1 H 0.7500 . . 125 14 14 LEU HD2 H -0.0300 . . 126 14 14 LEU CA C 54.1000 . . 127 14 14 LEU CB C 42.2000 . . 128 14 14 LEU CG C 26.4200 . . 129 14 14 LEU CD1 C 22.9600 . . 130 14 14 LEU CD2 C 25.7600 . . 131 14 14 LEU N N 126.0600 . . 132 15 15 PHE H H 7.8200 . . 133 15 15 PHE HA H 4.4800 . . 134 15 15 PHE HB2 H 3.0500 . . 135 15 15 PHE HB3 H 3.0000 . . 136 15 15 PHE HD1 H 7.3000 . . 137 15 15 PHE HE1 H 6.8700 . . 138 15 15 PHE HE2 H 6.8700 . . 139 15 15 PHE HZ H 6.7400 . . 140 15 15 PHE CA C 60.4000 . . 141 15 15 PHE CB C 38.1300 . . 142 15 15 PHE CD1 C 131.3000 . . 143 15 15 PHE CD2 C 131.3000 . . 144 15 15 PHE N N 120.6600 . . 145 16 16 GLY H H 8.8600 . . 146 16 16 GLY HA2 H 3.6600 . . 147 16 16 GLY HA3 H 3.9600 . . 148 16 16 GLY CA C 45.9000 . . 149 16 16 GLY N N 114.7300 . . 150 17 17 LYS H H 8.0300 . . 151 17 17 LYS HA H 4.4800 . . 152 17 17 LYS HB2 H 2.0000 . . 153 17 17 LYS HB3 H 1.6800 . . 154 17 17 LYS HG2 H 1.2900 . . 155 17 17 LYS HG3 H 1.4300 . . 156 17 17 LYS CA C 54.4600 . . 157 17 17 LYS CB C 35.8000 . . 158 17 17 LYS CG C 24.6800 . . 159 17 17 LYS N N 119.5800 . . 160 18 18 LYS H H 8.1900 . . 161 18 18 LYS HA H 4.2800 . . 162 18 18 LYS HB2 H 1.6900 . . 163 18 18 LYS HG2 H 1.2000 . . 164 18 18 LYS HG3 H 1.4000 . . 165 18 18 LYS HD2 H 1.6000 . . 166 18 18 LYS HE2 H 2.7900 . . 167 18 18 LYS CA C 56.8000 . . 168 18 18 LYS CB C 33.0100 . . 169 18 18 LYS CG C 25.5100 . . 170 18 18 LYS CD C 29.3100 . . 171 18 18 LYS CE C 42.3100 . . 172 18 18 LYS N N 120.3300 . . 173 19 19 TYR H H 7.6100 . . 174 19 19 TYR HA H 5.2400 . . 175 19 19 TYR HB2 H 2.8000 . . 176 19 19 TYR HD1 H 6.8900 . . 177 19 19 TYR HD2 H 6.8900 . . 178 19 19 TYR HE1 H 6.6400 . . 179 19 19 TYR HE2 H 6.6400 . . 180 19 19 TYR CA C 55.3400 . . 181 19 19 TYR CB C 42.8500 . . 182 19 19 TYR CD1 C 132.8200 . . 183 19 19 TYR CD2 C 132.8200 . . 184 19 19 TYR CE1 C 118.4600 . . 185 19 19 TYR CE2 C 118.4600 . . 186 19 19 TYR N N 117.5000 . . 187 20 20 ILE H H 9.3500 . . 188 20 20 ILE HA H 4.1370 . . 189 20 20 ILE HB H 1.2400 . . 190 20 20 ILE HG12 H 0.7500 . . 191 20 20 ILE HG13 H 1.0000 . . 192 20 20 ILE HG2 H 0.2000 . . 193 20 20 ILE HD1 H 0.4650 . . 194 20 20 ILE CA C 60.0100 . . 195 20 20 ILE CB C 41.5700 . . 196 20 20 ILE CG1 C 28.1800 . . 197 20 20 ILE CG2 C 18.6800 . . 198 20 20 ILE CD1 C 13.6000 . . 199 20 20 ILE N N 121.4300 . . 200 21 21 LEU H H 8.5300 . . 201 21 21 LEU HA H 5.0900 . . 202 21 21 LEU HB2 H 1.3400 . . 203 21 21 LEU HB3 H 1.6700 . . 204 21 21 LEU HG H 1.5800 . . 205 21 21 LEU HD1 H 0.7300 . . 206 21 21 LEU HD2 H 0.8900 . . 207 21 21 LEU CA C 54.0200 . . 208 21 21 LEU CB C 43.7200 . . 209 21 21 LEU CG C 27.4900 . . 210 21 21 LEU CD1 C 23.5200 . . 211 21 21 LEU CD2 C 25.1000 . . 212 21 21 LEU N N 126.7200 . . 213 22 22 ARG H H 9.0800 . . 214 22 22 ARG HA H 4.4400 . . 215 22 22 ARG HB2 H 1.6800 . . 216 22 22 ARG HB3 H 1.3800 . . 217 22 22 ARG HG2 H 1.0500 . . 218 22 22 ARG HG3 H 0.8300 . . 219 22 22 ARG HD2 H 2.1450 . . 220 22 22 ARG HD3 H 2.3800 . . 221 22 22 ARG HE H 6.2000 . . 222 22 22 ARG CA C 55.6000 . . 223 22 22 ARG CB C 32.2800 . . 224 22 22 ARG CG C 26.9500 . . 225 22 22 ARG CD C 42.6000 . . 226 22 22 ARG N N 123.9300 . . 227 23 23 GLU H H 9.6100 . . 228 23 23 GLU HA H 3.8400 . . 229 23 23 GLU HB2 H 2.0500 . . 230 23 23 GLU HB3 H 2.1600 . . 231 23 23 GLU HG2 H 2.1600 . . 232 23 23 GLU CA C 58.0300 . . 233 23 23 GLU CB C 27.2000 . . 234 23 23 GLU CG C 36.5000 . . 235 23 23 GLU N N 128.5000 . . 236 24 24 GLU H H 8.6600 . . 237 24 24 GLU HA H 3.7800 . . 238 24 24 GLU HB2 H 2.2000 . . 239 24 24 GLU HG2 H 2.1600 . . 240 24 24 GLU CA C 58.3200 . . 241 24 24 GLU CB C 28.2200 . . 242 24 24 GLU CG C 36.9800 . . 243 24 24 GLU N N 110.3000 . . 244 25 25 SER H H 7.9000 . . 245 25 25 SER HA H 4.8900 . . 246 25 25 SER HB2 H 3.0800 . . 247 25 25 SER HB3 H 3.6400 . . 248 25 25 SER CA C 56.5400 . . 249 25 25 SER CB C 64.7200 . . 250 25 25 SER N N 117.7000 . . 251 26 26 PRO HA H 4.9950 . . 252 26 26 PRO HB2 H 1.2000 . . 253 26 26 PRO HB3 H 1.4500 . . 254 26 26 PRO HG2 H 2.1500 . . 255 26 26 PRO HG3 H 1.4700 . . 256 26 26 PRO HD2 H 3.5900 . . 257 26 26 PRO HD3 H 3.4900 . . 258 26 26 PRO CA C 61.7500 . . 259 26 26 PRO CB C 32.6600 . . 260 26 26 PRO CG C 25.9700 . . 261 26 26 PRO CD C 50.2400 . . 262 27 27 TYR H H 9.0400 . . 263 27 27 TYR HA H 5.9100 . . 264 27 27 TYR HB2 H 3.3600 . . 265 27 27 TYR HD1 H 7.3000 . . 266 27 27 TYR HD2 H 7.3000 . . 267 27 27 TYR HE1 H 6.8600 . . 268 27 27 TYR HE2 H 6.8600 . . 269 27 27 TYR CA C 56.8300 . . 270 27 27 TYR CB C 42.8100 . . 271 27 27 TYR CD1 C 133.6000 . . 272 27 27 TYR CD2 C 133.6000 . . 273 27 27 TYR CE1 C 118.6100 . . 274 27 27 TYR CE2 C 118.6100 . . 275 27 27 TYR N N 118.1000 . . 276 28 28 CYS H H 9.8500 . . 277 28 28 CYS HA H 4.8500 . . 278 28 28 CYS HB2 H 3.0100 . . 279 28 28 CYS HB3 H 3.5850 . . 280 28 28 CYS CA C 58.1100 . . 281 28 28 CYS CB C 30.5300 . . 282 28 28 CYS N N 122.2300 . . 283 29 29 VAL H H 8.4300 . . 284 29 29 VAL HA H 3.6500 . . 285 29 29 VAL HB H 2.0700 . . 286 29 29 VAL HG1 H 0.9500 . . 287 29 29 VAL HG2 H 0.9500 . . 288 29 29 VAL CA C 67.4000 . . 289 29 29 VAL CB C 31.8600 . . 290 29 29 VAL CG1 C 21.4000 . . 291 29 29 VAL CG2 C 21.4000 . . 292 29 29 VAL N N 118.2000 . . 293 30 30 VAL H H 7.7000 . . 294 30 30 VAL HA H 3.8600 . . 295 30 30 VAL HB H 2.2600 . . 296 30 30 VAL HG1 H 0.9600 . . 297 30 30 VAL HG2 H 1.0800 . . 298 30 30 VAL CA C 66.4500 . . 299 30 30 VAL CB C 31.5400 . . 300 30 30 VAL CG1 C 21.2700 . . 301 30 30 VAL CG2 C 22.7100 . . 302 30 30 VAL N N 119.5700 . . 303 31 31 CYS H H 9.0500 . . 304 31 31 CYS HA H 3.8300 . . 305 31 31 CYS HB2 H 3.3200 . . 306 31 31 CYS HB3 H 2.8800 . . 307 31 31 CYS CA C 65.8500 . . 308 31 31 CYS CB C 29.5100 . . 309 31 31 CYS N N 125.8900 . . 310 32 32 PHE H H 9.0800 . . 311 32 32 PHE HA H 3.7800 . . 312 32 32 PHE HB2 H 3.2300 . . 313 32 32 PHE HB3 H 3.1000 . . 314 32 32 PHE HD2 H 6.8900 . . 315 32 32 PHE HE1 H 7.1100 . . 316 32 32 PHE HE2 H 7.1100 . . 317 32 32 PHE HZ H 6.7600 . . 318 32 32 PHE CA C 62.6100 . . 319 32 32 PHE CB C 39.9200 . . 320 32 32 PHE CD1 C 131.2100 . . 321 32 32 PHE CD2 C 131.2100 . . 322 32 32 PHE N N 119.0000 . . 323 33 33 GLU H H 8.5100 . . 324 33 33 GLU HA H 3.7600 . . 325 33 33 GLU HB2 H 2.2200 . . 326 33 33 GLU HB3 H 1.9100 . . 327 33 33 GLU HG2 H 2.8500 . . 328 33 33 GLU HG3 H 2.1900 . . 329 33 33 GLU CA C 59.2100 . . 330 33 33 GLU CB C 29.4800 . . 331 33 33 GLU CG C 37.9200 . . 332 33 33 GLU N N 117.4700 . . 333 34 34 THR H H 7.8800 . . 334 34 34 THR HA H 3.7300 . . 335 34 34 THR HB H 4.0500 . . 336 34 34 THR HG2 H 1.0400 . . 337 34 34 THR CA C 65.8900 . . 338 34 34 THR CB C 69.2100 . . 339 34 34 THR CG2 C 21.1500 . . 340 34 34 THR N N 114.1400 . . 341 35 35 LEU H H 7.6600 . . 342 35 35 LEU HA H 3.6500 . . 343 35 35 LEU HB2 H -0.4400 . . 344 35 35 LEU HB3 H 0.3570 . . 345 35 35 LEU HG H 1.0250 . . 346 35 35 LEU HD1 H 0.0050 . . 347 35 35 LEU HD2 H 0.1820 . . 348 35 35 LEU CA C 56.8600 . . 349 35 35 LEU CB C 41.8700 . . 350 35 35 LEU CG C 26.5400 . . 351 35 35 LEU CD1 C 24.7000 . . 352 35 35 LEU CD2 C 21.6800 . . 353 35 35 LEU N N 117.9800 . . 354 36 36 PHE H H 7.7300 . . 355 36 36 PHE HA H 4.5970 . . 356 36 36 PHE HB2 H 1.4780 . . 357 36 36 PHE HB3 H 2.6800 . . 358 36 36 PHE HD1 H 6.5300 . . 359 36 36 PHE HE1 H 6.2600 . . 360 36 36 PHE HE2 H 6.2600 . . 361 36 36 PHE HZ H 6.7600 . . 362 36 36 PHE CA C 56.8600 . . 363 36 36 PHE CB C 40.5700 . . 364 36 36 PHE CD1 C 131.2100 . . 365 36 36 PHE CD2 C 131.2100 . . 366 36 36 PHE N N 113.9000 . . 367 37 37 ALA H H 7.0900 . . 368 37 37 ALA HA H 4.0700 . . 369 37 37 ALA HB H 1.3200 . . 370 37 37 ALA CA C 52.9000 . . 371 37 37 ALA CB C 19.7700 . . 372 37 37 ALA N N 121.9200 . . 373 38 38 ASN H H 8.7900 . . 374 38 38 ASN HA H 4.4500 . . 375 38 38 ASN HB2 H 2.1000 . . 376 38 38 ASN HB3 H 2.0560 . . 377 38 38 ASN HD21 H 7.6300 . . 378 38 38 ASN HD22 H 6.5700 . . 379 38 38 ASN CA C 52.8500 . . 380 38 38 ASN CB C 38.9500 . . 381 38 38 ASN N N 119.2300 . . 382 38 38 ASN ND2 N 113.4000 . . 383 39 39 THR H H 8.5400 . . 384 39 39 THR HA H 3.9900 . . 385 39 39 THR HB H 3.6300 . . 386 39 39 THR HG2 H 0.8040 . . 387 39 39 THR CA C 62.1300 . . 388 39 39 THR CB C 69.9200 . . 389 39 39 THR CG2 C 21.6600 . . 390 39 39 THR N N 116.3300 . . 391 40 40 CYS H H 7.9400 . . 392 40 40 CYS HA H 4.3000 . . 393 40 40 CYS HB2 H 3.4100 . . 394 40 40 CYS HB3 H 2.1890 . . 395 40 40 CYS CA C 58.3500 . . 396 40 40 CYS CB C 31.6000 . . 397 40 40 CYS N N 126.9500 . . 398 41 41 GLU H H 8.8100 . . 399 41 41 GLU HA H 3.6900 . . 400 41 41 GLU HB2 H 1.3400 . . 401 41 41 GLU HB3 H 1.0800 . . 402 41 41 GLU HG2 H 2.0500 . . 403 41 41 GLU HG3 H 1.6900 . . 404 41 41 GLU CA C 58.6000 . . 405 41 41 GLU CB C 30.4600 . . 406 41 41 GLU CG C 36.3000 . . 407 41 41 GLU N N 130.5600 . . 408 42 42 GLU H H 8.5000 . . 409 42 42 GLU HA H 4.5700 . . 410 42 42 GLU HB2 H 2.3300 . . 411 42 42 GLU HB3 H 2.5300 . . 412 42 42 GLU HG2 H 2.6580 . . 413 42 42 GLU HG3 H 3.0700 . . 414 42 42 GLU CA C 58.0000 . . 415 42 42 GLU CB C 31.6800 . . 416 42 42 GLU CG C 38.6200 . . 417 42 42 GLU N N 119.6800 . . 418 43 43 CYS H H 8.1200 . . 419 43 43 CYS HA H 5.0100 . . 420 43 43 CYS HB2 H 3.0300 . . 421 43 43 CYS HB3 H 3.3300 . . 422 43 43 CYS CA C 58.8100 . . 423 43 43 CYS CB C 31.5800 . . 424 43 43 CYS N N 115.6000 . . 425 44 44 GLY H H 7.9000 . . 426 44 44 GLY HA2 H 4.0500 . . 427 44 44 GLY HA3 H 3.8000 . . 428 44 44 GLY CA C 46.4200 . . 429 44 44 GLY N N 112.1000 . . 430 45 45 LYS H H 8.1800 . . 431 45 45 LYS HA H 4.8400 . . 432 45 45 LYS HD2 H 1.4700 . . 433 45 45 LYS CA C 54.3600 . . 434 45 45 LYS CB C 32.4300 . . 435 45 45 LYS CD C 29.2500 . . 436 45 45 LYS N N 121.2100 . . 437 46 46 PRO HA H 4.4770 . . 438 46 46 PRO HB2 H 1.5600 . . 439 46 46 PRO HB3 H 2.1500 . . 440 46 46 PRO HG2 H 2.0100 . . 441 46 46 PRO HG3 H 1.9200 . . 442 46 46 PRO HD2 H 3.8400 . . 443 46 46 PRO HD3 H 3.6000 . . 444 46 46 PRO CA C 62.7000 . . 445 46 46 PRO CB C 32.4900 . . 446 46 46 PRO CG C 27.6000 . . 447 46 46 PRO CD C 50.5500 . . 448 47 47 ILE H H 8.5400 . . 449 47 47 ILE HA H 3.8300 . . 450 47 47 ILE HB H 1.4670 . . 451 47 47 ILE HG12 H -0.5200 . . 452 47 47 ILE HG13 H 1.0000 . . 453 47 47 ILE HG2 H 0.7660 . . 454 47 47 ILE HD1 H 0.2000 . . 455 47 47 ILE CA C 61.0400 . . 456 47 47 ILE CB C 37.4400 . . 457 47 47 ILE CG1 C 26.7200 . . 458 47 47 ILE CG2 C 17.8900 . . 459 47 47 ILE CD1 C 15.3400 . . 460 47 47 ILE N N 125.2800 . . 461 48 48 GLY H H 8.6600 . . 462 48 48 GLY HA2 H 4.0700 . . 463 48 48 GLY HA3 H 3.9800 . . 464 48 48 GLY CA C 45.2400 . . 465 48 48 GLY N N 114.1200 . . 466 49 49 CYS H H 9.2100 . . 467 49 49 CYS HA H 4.2800 . . 468 49 49 CYS HB2 H 2.7600 . . 469 49 49 CYS CA C 60.8800 . . 470 49 49 CYS CB C 27.6500 . . 471 49 49 CYS N N 117.1400 . . 472 50 50 ASP H H 8.8000 . . 473 50 50 ASP HA H 4.6200 . . 474 50 50 ASP HB2 H 2.7200 . . 475 50 50 ASP CA C 54.1600 . . 476 50 50 ASP CB C 40.3800 . . 477 50 50 ASP N N 119.3000 . . 478 51 51 CYS H H 7.5900 . . 479 51 51 CYS HA H 4.6200 . . 480 51 51 CYS HB2 H 2.9900 . . 481 51 51 CYS HB3 H 3.0500 . . 482 51 51 CYS CA C 58.0300 . . 483 51 51 CYS CB C 30.0900 . . 484 51 51 CYS N N 118.1500 . . 485 52 52 LYS H H 8.6000 . . 486 52 52 LYS HA H 4.1800 . . 487 52 52 LYS HB2 H 1.6800 . . 488 52 52 LYS HG2 H 1.4500 . . 489 52 52 LYS HG3 H 1.3200 . . 490 52 52 LYS HD2 H 1.6700 . . 491 52 52 LYS HE2 H 2.9000 . . 492 52 52 LYS CA C 57.2400 . . 493 52 52 LYS CB C 33.0300 . . 494 52 52 LYS CG C 25.0900 . . 495 52 52 LYS CD C 29.1600 . . 496 52 52 LYS CE C 42.2000 . . 497 52 52 LYS N N 123.8000 . . 498 53 53 ASP H H 8.2500 . . 499 53 53 ASP HA H 4.2300 . . 500 53 53 ASP HB2 H 2.4100 . . 501 53 53 ASP HB3 H 2.8700 . . 502 53 53 ASP CA C 53.1300 . . 503 53 53 ASP CB C 42.2300 . . 504 53 53 ASP N N 124.9000 . . 505 54 54 LEU H H 8.6700 . . 506 54 54 LEU HA H 4.4400 . . 507 54 54 LEU HB2 H 0.4800 . . 508 54 54 LEU HB3 H 1.2900 . . 509 54 54 LEU HG H 1.3400 . . 510 54 54 LEU HD1 H 0.6200 . . 511 54 54 LEU HD2 H 0.5800 . . 512 54 54 LEU CA C 53.3400 . . 513 54 54 LEU CB C 41.1700 . . 514 54 54 LEU CG C 27.9600 . . 515 54 54 LEU CD1 C 25.4000 . . 516 54 54 LEU CD2 C 23.7000 . . 517 54 54 LEU N N 130.1600 . . 518 55 55 SER H H 8.1600 . . 519 55 55 SER HA H 5.5800 . . 520 55 55 SER HB2 H 3.3300 . . 521 55 55 SER CA C 55.8500 . . 522 55 55 SER CB C 67.3000 . . 523 55 55 SER N N 113.8200 . . 524 56 56 TYR H H 8.4500 . . 525 56 56 TYR HA H 4.6200 . . 526 56 56 TYR HB2 H 3.1100 . . 527 56 56 TYR HB3 H 2.9700 . . 528 56 56 TYR HD1 H 7.2600 . . 529 56 56 TYR HD2 H 7.2600 . . 530 56 56 TYR HE1 H 6.4800 . . 531 56 56 TYR HE2 H 6.4800 . . 532 56 56 TYR CA C 58.8100 . . 533 56 56 TYR CB C 41.0000 . . 534 56 56 TYR CD1 C 133.2400 . . 535 56 56 TYR CD2 C 133.2400 . . 536 56 56 TYR CE1 C 118.5700 . . 537 56 56 TYR CE2 C 118.5700 . . 538 56 56 TYR N N 122.6100 . . 539 57 57 LYS H H 8.9200 . . 540 57 57 LYS HA H 3.4700 . . 541 57 57 LYS HB2 H 1.4400 . . 542 57 57 LYS HB3 H 1.6100 . . 543 57 57 LYS HG2 H 0.5000 . . 544 57 57 LYS HG3 H 0.7200 . . 545 57 57 LYS CA C 58.1000 . . 546 57 57 LYS CB C 29.4800 . . 547 57 57 LYS CG C 24.6100 . . 548 57 57 LYS N N 126.0200 . . 549 58 58 ASP H H 8.4000 . . 550 58 58 ASP HA H 3.8300 . . 551 58 58 ASP HB2 H 2.8140 . . 552 58 58 ASP HB3 H 2.7640 . . 553 58 58 ASP CA C 54.9000 . . 554 58 58 ASP CB C 40.0800 . . 555 59 59 ARG H H 7.9800 . . 556 59 59 ARG HA H 4.2500 . . 557 59 59 ARG HB2 H 1.2400 . . 558 59 59 ARG HB3 H 2.0100 . . 559 59 59 ARG HG2 H 1.4900 . . 560 59 59 ARG HG3 H 1.6800 . . 561 59 59 ARG HD2 H 3.1400 . . 562 59 59 ARG HD3 H 3.2900 . . 563 59 59 ARG HE H 7.0600 . . 564 59 59 ARG CA C 55.5800 . . 565 59 59 ARG CB C 33.4600 . . 566 59 59 ARG CG C 27.0100 . . 567 59 59 ARG CD C 44.6600 . . 568 59 59 ARG N N 121.1900 . . 569 60 60 HIS H H 8.3500 . . 570 60 60 HIS HA H 5.2700 . . 571 60 60 HIS HB2 H 2.3860 . . 572 60 60 HIS HB3 H 2.8500 . . 573 60 60 HIS HD2 H 7.4000 . . 574 60 60 HIS HE1 H 7.2400 . . 575 60 60 HIS CA C 55.0100 . . 576 60 60 HIS CB C 32.3800 . . 577 60 60 HIS N N 118.4200 . . 578 61 61 TRP H H 9.3100 . . 579 61 61 TRP HA H 5.9300 . . 580 61 61 TRP HB2 H 2.7400 . . 581 61 61 TRP HB3 H 3.3900 . . 582 61 61 TRP HD1 H 7.0200 . . 583 61 61 TRP HE1 H 10.6100 . . 584 61 61 TRP HE3 H 7.3400 . . 585 61 61 TRP HZ2 H 7.3900 . . 586 61 61 TRP HZ3 H 6.9000 . . 587 61 61 TRP HH2 H 7.0700 . . 588 61 61 TRP CA C 57.4000 . . 589 61 61 TRP CB C 35.3800 . . 590 61 61 TRP CD1 C 126.6400 . . 591 61 61 TRP CE3 C 121.7000 . . 592 61 61 TRP CZ2 C 114.3900 . . 593 61 61 TRP CZ3 C 123.9000 . . 594 61 61 TRP N N 119.9900 . . 595 61 61 TRP NE1 N 128.9300 . . 596 62 62 HIS H H 8.4300 . . 597 62 62 HIS HA H 4.6000 . . 598 62 62 HIS HB2 H 3.6700 . . 599 62 62 HIS HD2 H 7.5800 . . 600 62 62 HIS HE1 H 7.2400 . . 601 62 62 HIS CA C 59.2100 . . 602 62 62 HIS CB C 31.2000 . . 603 62 62 HIS N N 117.2700 . . 604 63 63 GLU H H 9.0400 . . 605 63 63 GLU HA H 3.8270 . . 606 63 63 GLU HB2 H 2.1300 . . 607 63 63 GLU HG2 H 2.2700 . . 608 63 63 GLU CA C 61.0200 . . 609 63 63 GLU CB C 30.3100 . . 610 63 63 GLU CG C 36.9000 . . 611 63 63 GLU N N 124.6400 . . 612 64 64 ALA H H 8.6800 . . 613 64 64 ALA HA H 4.2300 . . 614 64 64 ALA HB H 1.4900 . . 615 64 64 ALA CA C 54.0000 . . 616 64 64 ALA CB C 18.8800 . . 617 64 64 ALA N N 117.0500 . . 618 65 65 CYS H H 7.4900 . . 619 65 65 CYS HA H 4.2950 . . 620 65 65 CYS HB2 H 3.4200 . . 621 65 65 CYS HB3 H 3.2100 . . 622 65 65 CYS CA C 59.8500 . . 623 65 65 CYS CB C 32.8400 . . 624 65 65 CYS N N 115.3800 . . 625 66 66 PHE H H 7.1100 . . 626 66 66 PHE HA H 3.8900 . . 627 66 66 PHE HB2 H 2.5300 . . 628 66 66 PHE HB3 H 2.9900 . . 629 66 66 PHE HD1 H 5.9700 . . 630 66 66 PHE HE1 H 7.2900 . . 631 66 66 PHE HE2 H 7.2900 . . 632 66 66 PHE HZ H 6.8700 . . 633 66 66 PHE CA C 57.0100 . . 634 66 66 PHE CB C 38.0700 . . 635 66 66 PHE CD1 C 131.6100 . . 636 66 66 PHE CD2 C 131.6100 . . 637 66 66 PHE N N 122.0200 . . 638 67 67 HIS H H 7.3800 . . 639 67 67 HIS HA H 4.7200 . . 640 67 67 HIS HB2 H 2.5600 . . 641 67 67 HIS HB3 H 2.7900 . . 642 67 67 HIS HD2 H 7.5800 . . 643 67 67 HIS HE1 H 7.2400 . . 644 67 67 HIS CA C 52.7300 . . 645 67 67 HIS CB C 32.2300 . . 646 67 67 HIS N N 121.2800 . . 647 68 68 CYS H H 8.5300 . . 648 68 68 CYS HA H 3.9600 . . 649 68 68 CYS HB2 H 2.6440 . . 650 68 68 CYS HB3 H 3.2400 . . 651 68 68 CYS CA C 59.7900 . . 652 68 68 CYS CB C 31.2000 . . 653 68 68 CYS N N 121.5900 . . 654 69 69 SER H H 9.4600 . . 655 69 69 SER HA H 4.3100 . . 656 69 69 SER HB2 H 4.2300 . . 657 69 69 SER HB3 H 3.9000 . . 658 69 69 SER CA C 61.7600 . . 659 69 69 SER CB C 64.0400 . . 660 69 69 SER N N 126.5300 . . 661 70 70 GLN H H 8.9800 . . 662 70 70 GLN HA H 4.5100 . . 663 70 70 GLN HB2 H 2.4900 . . 664 70 70 GLN HB3 H 2.1300 . . 665 70 70 GLN HG2 H 2.2500 . . 666 70 70 GLN HG3 H 2.3200 . . 667 70 70 GLN HE21 H 7.5000 . . 668 70 70 GLN HE22 H 6.9500 . . 669 70 70 GLN CA C 57.8400 . . 670 70 70 GLN CB C 30.4300 . . 671 70 70 GLN CG C 34.1800 . . 672 70 70 GLN N N 122.3700 . . 673 70 70 GLN NE2 N 113.7600 . . 674 71 71 CYS H H 8.2200 . . 675 71 71 CYS HA H 4.7200 . . 676 71 71 CYS HB2 H 3.1300 . . 677 71 71 CYS HB3 H 3.2300 . . 678 71 71 CYS CA C 59.7700 . . 679 71 71 CYS CB C 31.9100 . . 680 71 71 CYS N N 118.8600 . . 681 72 72 ARG H H 7.3800 . . 682 72 72 ARG HA H 3.9650 . . 683 72 72 ARG HB2 H 1.2100 . . 684 72 72 ARG HB3 H 1.3400 . . 685 72 72 ARG HG2 H 1.7400 . . 686 72 72 ARG HG3 H 1.9560 . . 687 72 72 ARG HD2 H 2.9500 . . 688 72 72 ARG HE H 6.9100 . . 689 72 72 ARG CA C 58.0300 . . 690 72 72 ARG CB C 27.7200 . . 691 72 72 ARG CG C 27.0100 . . 692 72 72 ARG CD C 42.7100 . . 693 72 72 ARG N N 114.3800 . . 694 72 72 ARG NE N 85.1800 . . 695 73 73 ASN H H 8.7220 . . 696 73 73 ASN HA H 4.6300 . . 697 73 73 ASN HB2 H 2.9500 . . 698 73 73 ASN HB3 H 2.6300 . . 699 73 73 ASN HD21 H 7.8900 . . 700 73 73 ASN HD22 H 6.9560 . . 701 73 73 ASN CA C 54.1100 . . 702 73 73 ASN CB C 38.8700 . . 703 73 73 ASN N N 121.4800 . . 704 73 73 ASN ND2 N 114.1400 . . 705 74 74 SER H H 8.6900 . . 706 74 74 SER HA H 4.0600 . . 707 74 74 SER HB2 H 3.7300 . . 708 74 74 SER HB3 H 4.0500 . . 709 74 74 SER CA C 59.3570 . . 710 74 74 SER CB C 63.3000 . . 711 74 74 SER N N 114.7100 . . 712 75 75 LEU H H 7.9700 . . 713 75 75 LEU HA H 4.2800 . . 714 75 75 LEU HB2 H 1.0000 . . 715 75 75 LEU HB3 H 0.2200 . . 716 75 75 LEU HG H 0.9400 . . 717 75 75 LEU HD1 H -0.5200 . . 718 75 75 LEU HD2 H 0.4900 . . 719 75 75 LEU CA C 53.5100 . . 720 75 75 LEU CB C 42.2000 . . 721 75 75 LEU CG C 26.2300 . . 722 75 75 LEU CD1 C 25.3000 . . 723 75 75 LEU CD2 C 22.5000 . . 724 75 75 LEU N N 125.7570 . . 725 76 76 VAL H H 7.8300 . . 726 76 76 VAL HA H 3.5700 . . 727 76 76 VAL HB H 1.9300 . . 728 76 76 VAL HG1 H 0.9480 . . 729 76 76 VAL HG2 H 1.2100 . . 730 76 76 VAL CA C 65.4200 . . 731 76 76 VAL CB C 31.5400 . . 732 76 76 VAL CG1 C 21.3400 . . 733 76 76 VAL CG2 C 23.4600 . . 734 76 76 VAL N N 120.8600 . . 735 77 77 ASP H H 8.9100 . . 736 77 77 ASP HA H 4.2300 . . 737 77 77 ASP HB2 H 2.8000 . . 738 77 77 ASP HB3 H 2.8600 . . 739 77 77 ASP CA C 56.2000 . . 740 77 77 ASP CB C 39.3800 . . 741 77 77 ASP N N 122.3600 . . 742 78 78 LYS H H 7.6600 . . 743 78 78 LYS HA H 4.8700 . . 744 78 78 LYS HB2 H 1.4560 . . 745 78 78 LYS HB3 H 1.8700 . . 746 78 78 LYS HG2 H 1.5000 . . 747 78 78 LYS HG3 H 1.3300 . . 748 78 78 LYS HD2 H 1.4400 . . 749 78 78 LYS HE2 H 2.8400 . . 750 78 78 LYS CA C 56.9600 . . 751 78 78 LYS CB C 34.6800 . . 752 78 78 LYS CG C 24.0800 . . 753 78 78 LYS CD C 29.2500 . . 754 78 78 LYS CE C 42.0400 . . 755 78 78 LYS N N 118.1000 . . 756 79 79 PRO HA H 4.4600 . . 757 79 79 PRO HB2 H 2.1700 . . 758 79 79 PRO HB3 H 1.7400 . . 759 79 79 PRO HG2 H 1.9200 . . 760 79 79 PRO HG3 H 2.0100 . . 761 79 79 PRO HD2 H 3.7800 . . 762 79 79 PRO HD3 H 3.5800 . . 763 79 79 PRO CA C 62.5200 . . 764 79 79 PRO CB C 32.1600 . . 765 79 79 PRO CG C 27.6000 . . 766 79 79 PRO CD C 50.3100 . . 767 80 80 PHE H H 7.5100 . . 768 80 80 PHE HA H 4.9100 . . 769 80 80 PHE HB2 H 2.7900 . . 770 80 80 PHE HB3 H 2.6000 . . 771 80 80 PHE HD2 H 6.8800 . . 772 80 80 PHE HE1 H 7.2900 . . 773 80 80 PHE HE2 H 7.2900 . . 774 80 80 PHE HZ H 6.8400 . . 775 80 80 PHE CA C 56.0600 . . 776 80 80 PHE CB C 42.4100 . . 777 80 80 PHE CD1 C 131.7900 . . 778 80 80 PHE CD2 C 131.7900 . . 779 80 80 PHE CE1 C 129.2900 . . 780 80 80 PHE CE2 C 129.2900 . . 781 80 80 PHE N N 114.0500 . . 782 81 81 ALA H H 9.0300 . . 783 81 81 ALA HA H 4.3100 . . 784 81 81 ALA HB H 0.6950 . . 785 81 81 ALA CA C 50.4500 . . 786 81 81 ALA CB C 21.9200 . . 787 81 81 ALA N N 123.2900 . . 788 82 82 ALA H H 8.2400 . . 789 82 82 ALA HA H 5.1100 . . 790 82 82 ALA HB H 1.2300 . . 791 82 82 ALA CA C 51.1000 . . 792 82 82 ALA CB C 21.1300 . . 793 82 82 ALA N N 122.4900 . . 794 83 83 LYS H H 8.4000 . . 795 83 83 LYS HA H 4.4900 . . 796 83 83 LYS HB2 H 1.7500 . . 797 83 83 LYS HB3 H 1.4900 . . 798 83 83 LYS HG2 H 1.2200 . . 799 83 83 LYS HG3 H 1.3600 . . 800 83 83 LYS HD2 H 1.5100 . . 801 83 83 LYS HE2 H 2.7650 . . 802 83 83 LYS CA C 55.8000 . . 803 83 83 LYS CB C 34.7200 . . 804 83 83 LYS CG C 24.8500 . . 805 83 83 LYS CD C 29.3200 . . 806 83 83 LYS CE C 42.1700 . . 807 83 83 LYS N N 123.5800 . . 808 84 84 GLU H H 9.3200 . . 809 84 84 GLU HA H 3.8200 . . 810 84 84 GLU HB2 H 2.2700 . . 811 84 84 GLU HB3 H 2.1500 . . 812 84 84 GLU HG2 H 2.2800 . . 813 84 84 GLU CA C 58.6200 . . 814 84 84 GLU CB C 27.2100 . . 815 84 84 GLU CG C 36.4000 . . 816 84 84 GLU N N 125.4700 . . 817 85 85 ASP H H 8.7300 . . 818 85 85 ASP HA H 4.6000 . . 819 85 85 ASP HB2 H 2.8500 . . 820 85 85 ASP HB3 H 2.9000 . . 821 85 85 ASP CA C 55.4000 . . 822 85 85 ASP CB C 40.4000 . . 823 85 85 ASP N N 118.5500 . . 824 86 86 GLN H H 8.1700 . . 825 86 86 GLN HA H 4.5400 . . 826 86 86 GLN HB2 H 2.0100 . . 827 86 86 GLN HG2 H 2.4700 . . 828 86 86 GLN HG3 H 2.3200 . . 829 86 86 GLN HE21 H 7.5300 . . 830 86 86 GLN HE22 H 6.8700 . . 831 86 86 GLN CA C 55.1000 . . 832 86 86 GLN CB C 31.1100 . . 833 86 86 GLN CG C 34.2000 . . 834 86 86 GLN N N 119.0500 . . 835 86 86 GLN NE2 N 110.8600 . . 836 87 87 LEU H H 8.4900 . . 837 87 87 LEU HA H 4.6200 . . 838 87 87 LEU HB2 H 1.2800 . . 839 87 87 LEU HB3 H 0.4900 . . 840 87 87 LEU HG H 1.1960 . . 841 87 87 LEU HD1 H -0.2900 . . 842 87 87 LEU HD2 H 0.1100 . . 843 87 87 LEU CA C 54.5200 . . 844 87 87 LEU CB C 42.7000 . . 845 87 87 LEU CG C 27.0200 . . 846 87 87 LEU CD1 C 25.0800 . . 847 87 87 LEU CD2 C 22.9100 . . 848 87 87 LEU N N 123.1100 . . 849 88 88 LEU H H 8.9300 . . 850 88 88 LEU HA H 5.8800 . . 851 88 88 LEU HB2 H 1.6280 . . 852 88 88 LEU HG H 2.8800 . . 853 88 88 LEU HD1 H 0.8300 . . 854 88 88 LEU HD2 H 0.9700 . . 855 88 88 LEU CA C 53.3400 . . 856 88 88 LEU CB C 47.1900 . . 857 88 88 LEU CG C 29.9400 . . 858 88 88 LEU CD1 C 26.8700 . . 859 88 88 LEU CD2 C 25.2500 . . 860 88 88 LEU N N 123.6900 . . 861 89 89 CYS H H 9.4300 . . 862 89 89 CYS HA H 4.7800 . . 863 89 89 CYS HB2 H 3.6200 . . 864 89 89 CYS HB3 H 2.7600 . . 865 89 89 CYS CA C 57.6400 . . 866 89 89 CYS CB C 30.9400 . . 867 89 89 CYS N N 122.2700 . . 868 90 90 THR H H 8.4100 . . 869 90 90 THR HA H 3.9000 . . 870 90 90 THR HB H 4.2000 . . 871 90 90 THR HG2 H 1.1200 . . 872 90 90 THR CA C 65.4600 . . 873 90 90 THR CB C 68.6700 . . 874 90 90 THR CG2 C 22.0900 . . 875 90 90 THR N N 110.6200 . . 876 91 91 ASP H H 8.1500 . . 877 91 91 ASP HA H 4.4900 . . 878 91 91 ASP HB2 H 2.6700 . . 879 91 91 ASP HB3 H 2.8600 . . 880 91 91 ASP CA C 57.8100 . . 881 91 91 ASP CB C 41.1600 . . 882 91 91 ASP N N 123.4700 . . 883 92 92 CYS H H 8.5800 . . 884 92 92 CYS HA H 3.9700 . . 885 92 92 CYS HB2 H 2.8900 . . 886 92 92 CYS CA C 64.1000 . . 887 92 92 CYS CB C 30.0900 . . 888 92 92 CYS N N 123.8000 . . 889 93 93 TYR H H 8.5400 . . 890 93 93 TYR HA H 4.1400 . . 891 93 93 TYR HB2 H 2.8900 . . 892 93 93 TYR HB3 H 2.8100 . . 893 93 93 TYR HD1 H 6.8900 . . 894 93 93 TYR HD2 H 6.8900 . . 895 93 93 TYR HE1 H 6.6400 . . 896 93 93 TYR HE2 H 6.6400 . . 897 93 93 TYR CA C 60.3800 . . 898 93 93 TYR CB C 39.3000 . . 899 93 93 TYR N N 120.7300 . . 900 94 94 SER H H 7.7500 . . 901 94 94 SER HA H 4.2200 . . 902 94 94 SER HB2 H 3.8600 . . 903 94 94 SER CA C 59.3000 . . 904 94 94 SER CB C 63.6600 . . 905 94 94 SER N N 115.0100 . . 906 95 95 ASN H H 7.7800 . . 907 95 95 ASN HA H 4.5100 . . 908 95 95 ASN HB2 H 2.6600 . . 909 95 95 ASN HD21 H 7.5900 . . 910 95 95 ASN HD22 H 6.9300 . . 911 95 95 ASN CA C 53.8800 . . 912 95 95 ASN CB C 39.3000 . . 913 95 95 ASN N N 119.8200 . . 914 95 95 ASN ND2 N 113.4000 . . 915 96 96 GLU H H 7.9500 . . 916 96 96 GLU HA H 4.0960 . . 917 96 96 GLU HB2 H 1.6900 . . 918 96 96 GLU HG2 H 1.9500 . . 919 96 96 GLU CA C 56.9100 . . 920 96 96 GLU CB C 30.2200 . . 921 96 96 GLU CG C 35.8600 . . 922 96 96 GLU N N 119.8200 . . 923 97 97 TYR H H 8.0700 . . 924 97 97 TYR HA H 4.6200 . . 925 97 97 TYR HB2 H 3.0800 . . 926 97 97 TYR HB3 H 2.8600 . . 927 97 97 TYR HD1 H 6.9000 . . 928 97 97 TYR HD2 H 6.9000 . . 929 97 97 TYR HE1 H 6.4800 . . 930 97 97 TYR HE2 H 6.4800 . . 931 97 97 TYR CA C 57.7000 . . 932 97 97 TYR CB C 38.7100 . . 933 97 97 TYR N N 120.3700 . . 934 98 98 SER H H 7.7600 . . 935 98 98 SER HA H 4.1400 . . 936 98 98 SER HB2 H 3.7600 . . 937 98 98 SER CA C 60.3900 . . 938 98 98 SER CB C 65.0800 . . 939 98 98 SER N N 122.4900 . . stop_ save_