data_11175 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of calponin homology domain of IQGAP1 ; _BMRB_accession_number 11175 _BMRB_flat_file_name bmr11175.str _Entry_type original _Submission_date 2010-06-09 _Accession_date 2010-06-09 _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 Umemoto Ryo . . 2 Nishida Noritaka . . 3 Ogino Shinji . . 4 Shimada Ichio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1044 "13C chemical shifts" 651 "15N chemical shifts" 180 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-09 original author . stop_ _Original_release_date 2010-09-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the calponin homology domain of human IQGAP1 and its implications for the actin recognition mode ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20644981 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Umemoto Ryo . . 2 Nishida Noritaka . . 3 Ogino Shinji . . 4 Shimada Ichio . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 48 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 59 _Page_last 64 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'F-actin binding protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CH domain' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CH domain' _Molecular_mass 22032.408 _Mol_thiol_state 'all free' loop_ _Biological_function 'F-actin binding protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 190 _Mol_residue_sequence ; GPLGSLTAEEMDERRRQNVA YEYLCHLEEAKRWMEACLGE DLPPTTELEEGLRNGVYLAK LGNFFSPKVVSLKKIYDREQ TRYKATGLHFRHTDNVIQWL NAMDEIGLPKIFYPETTDIY DRKNMPRCIYCIHALSLYLF KLGLAPQIQDLYGKVDFTEE EINNMKTELEKYGIQMPAFS KIGGILANEL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 21 GLY 2 22 PRO 3 23 LEU 4 24 GLY 5 25 SER 6 26 LEU 7 27 THR 8 28 ALA 9 29 GLU 10 30 GLU 11 31 MET 12 32 ASP 13 33 GLU 14 34 ARG 15 35 ARG 16 36 ARG 17 37 GLN 18 38 ASN 19 39 VAL 20 40 ALA 21 41 TYR 22 42 GLU 23 43 TYR 24 44 LEU 25 45 CYS 26 46 HIS 27 47 LEU 28 48 GLU 29 49 GLU 30 50 ALA 31 51 LYS 32 52 ARG 33 53 TRP 34 54 MET 35 55 GLU 36 56 ALA 37 57 CYS 38 58 LEU 39 59 GLY 40 60 GLU 41 61 ASP 42 62 LEU 43 63 PRO 44 64 PRO 45 65 THR 46 66 THR 47 67 GLU 48 68 LEU 49 69 GLU 50 70 GLU 51 71 GLY 52 72 LEU 53 73 ARG 54 74 ASN 55 75 GLY 56 76 VAL 57 77 TYR 58 78 LEU 59 79 ALA 60 80 LYS 61 81 LEU 62 82 GLY 63 83 ASN 64 84 PHE 65 85 PHE 66 86 SER 67 87 PRO 68 88 LYS 69 89 VAL 70 90 VAL 71 91 SER 72 92 LEU 73 93 LYS 74 94 LYS 75 95 ILE 76 96 TYR 77 97 ASP 78 98 ARG 79 99 GLU 80 100 GLN 81 101 THR 82 102 ARG 83 103 TYR 84 104 LYS 85 105 ALA 86 106 THR 87 107 GLY 88 108 LEU 89 109 HIS 90 110 PHE 91 111 ARG 92 112 HIS 93 113 THR 94 114 ASP 95 115 ASN 96 116 VAL 97 117 ILE 98 118 GLN 99 119 TRP 100 120 LEU 101 121 ASN 102 122 ALA 103 123 MET 104 124 ASP 105 125 GLU 106 126 ILE 107 127 GLY 108 128 LEU 109 129 PRO 110 130 LYS 111 131 ILE 112 132 PHE 113 133 TYR 114 134 PRO 115 135 GLU 116 136 THR 117 137 THR 118 138 ASP 119 139 ILE 120 140 TYR 121 141 ASP 122 142 ARG 123 143 LYS 124 144 ASN 125 145 MET 126 146 PRO 127 147 ARG 128 148 CYS 129 149 ILE 130 150 TYR 131 151 CYS 132 152 ILE 133 153 HIS 134 154 ALA 135 155 LEU 136 156 SER 137 157 LEU 138 158 TYR 139 159 LEU 140 160 PHE 141 161 LYS 142 162 LEU 143 163 GLY 144 164 LEU 145 165 ALA 146 166 PRO 147 167 GLN 148 168 ILE 149 169 GLN 150 170 ASP 151 171 LEU 152 172 TYR 153 173 GLY 154 174 LYS 155 175 VAL 156 176 ASP 157 177 PHE 158 178 THR 159 179 GLU 160 180 GLU 161 181 GLU 162 182 ILE 163 183 ASN 164 184 ASN 165 185 MET 166 186 LYS 167 187 THR 168 188 GLU 169 189 LEU 170 190 GLU 171 191 LYS 172 192 TYR 173 193 GLY 174 194 ILE 175 195 GLN 176 196 MET 177 197 PRO 178 198 ALA 179 199 PHE 180 200 SER 181 201 LYS 182 202 ILE 183 203 GLY 184 204 GLY 185 205 ILE 186 206 LEU 187 207 ALA 188 208 ASN 189 209 GLU 190 210 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2RR8 "Solution Structure Of Calponin Homology Domain Of Iqgap1" 100.00 190 100.00 100.00 6.57e-138 PDB 3I6X "Crystal Structure Of The Calponin Homology Domain Of Iqgap1" 87.37 193 100.00 100.00 4.87e-119 DBJ BAA06123 "KIAA0051 [Homo sapiens]" 97.37 1678 100.00 100.00 5.56e-125 DBJ BAB30486 "unnamed protein product [Mus musculus]" 97.37 409 99.46 99.46 2.28e-133 DBJ BAC26450 "unnamed protein product [Mus musculus]" 97.37 409 99.46 99.46 2.28e-133 DBJ BAC97854 "mKIAA0051 protein [Mus musculus]" 97.37 1681 99.46 99.46 3.02e-124 DBJ BAE37174 "unnamed protein product [Mus musculus]" 97.37 539 99.46 99.46 1.32e-132 EMBL CAH89415 "hypothetical protein [Pongo abelii]" 97.37 943 100.00 100.00 1.13e-128 GB AAA59187 "ras GTPase-activating-like protein [Homo sapiens]" 97.37 1657 100.00 100.00 4.69e-125 GB AAF60344 "IQ motif containing GTPase activating protein 1 [Mus musculus]" 97.37 1657 99.46 99.46 2.48e-124 GB AAH05906 "IQGAP1 protein, partial [Homo sapiens]" 97.37 308 100.00 100.00 9.96e-135 GB AAH20549 "IQGAP1 protein, partial [Homo sapiens]" 97.37 943 100.00 100.00 9.25e-129 GB AAH22105 "Iqgap1 protein, partial [Mus musculus]" 97.37 943 99.46 99.46 4.10e-128 REF NP_001101959 "ras GTPase-activating-like protein IQGAP1 [Rattus norvegicus]" 97.37 1657 99.46 99.46 3.83e-124 REF NP_003861 "ras GTPase-activating-like protein IQGAP1 [Homo sapiens]" 97.37 1657 100.00 100.00 4.69e-125 REF NP_057930 "ras GTPase-activating-like protein IQGAP1 [Mus musculus]" 97.37 1657 99.46 99.46 2.48e-124 REF XP_001364413 "PREDICTED: IQ motif containing GTPase activating protein 1 isoform X1 [Monodelphis domestica]" 97.37 1657 97.84 98.92 3.02e-122 REF XP_002804991 "PREDICTED: ras GTPase-activating-like protein IQGAP1-like [Macaca mulatta]" 97.37 1703 100.00 100.00 1.30e-124 SP P46940 "RecName: Full=Ras GTPase-activating-like protein IQGAP1; AltName: Full=p195" 97.37 1657 100.00 100.00 4.69e-125 SP Q9JKF1 "RecName: Full=Ras GTPase-activating-like protein IQGAP1" 97.37 1657 99.46 99.46 2.48e-124 TPG DAA17679 "TPA: IQ motif containing GTPase activating protein 1 [Bos taurus]" 97.37 1657 98.92 98.92 3.18e-123 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pGEX-6p stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.90 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.90 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.90 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.17 . M pH 7.4 . pH pressure 1 . atm temperature 310 . 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 TSP C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.0 TSP N 15 'methyl protons' ppm 0 internal 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 CBCA(CO)NH' '3D C(CO)NH' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D H(CCO)NH' '3D HN(CO)CA' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CH domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 21 1 GLY HA2 H 4.024 0.000 2 2 21 1 GLY CA C 40.881 0.000 1 3 22 2 PRO HA H 4.551 0.000 1 4 22 2 PRO HB2 H 2.394 0.000 1 5 22 2 PRO HB3 H 2.032 0.000 1 6 22 2 PRO HD2 H 3.656 0.000 2 7 22 2 PRO HG2 H 2.093 0.000 2 8 22 2 PRO CA C 60.629 0.000 1 9 22 2 PRO CB C 29.702 0.002 1 10 22 2 PRO CD C 47.091 0.000 1 11 22 2 PRO CG C 24.464 0.000 1 12 23 3 LEU HA H 4.423 0.000 1 13 23 3 LEU HB2 H 1.774 0.000 1 14 23 3 LEU HB3 H 1.711 0.000 1 15 23 3 LEU HD1 H 1.036 0.000 1 16 23 3 LEU HD2 H 0.972 0.000 1 17 23 3 LEU HG H 1.747 0.000 1 18 23 3 LEU CA C 52.827 0.000 1 19 23 3 LEU CB C 39.531 0.000 1 20 23 3 LEU CD1 C 22.569 0.000 1 21 23 3 LEU CD2 C 20.947 0.000 1 22 23 3 LEU CG C 24.523 0.000 1 23 24 4 GLY HA2 H 4.081 0.000 1 24 24 4 GLY HA3 H 4.028 0.000 1 25 24 4 GLY CA C 42.716 0.000 1 26 25 5 SER HA H 4.561 0.000 1 27 25 5 SER HB2 H 3.936 0.000 2 28 25 5 SER CA C 55.488 0.000 1 29 25 5 SER CB C 61.304 0.000 1 30 26 6 LEU H H 8.253 0.000 1 31 26 6 LEU HA H 4.634 0.000 1 32 26 6 LEU HB2 H 1.763 0.000 1 33 26 6 LEU HB3 H 1.723 0.000 1 34 26 6 LEU HD1 H 0.981 0.000 1 35 26 6 LEU HD2 H 0.930 0.000 1 36 26 6 LEU HG H 1.745 0.000 1 37 26 6 LEU CA C 52.446 0.000 1 38 26 6 LEU CB C 41.008 0.001 1 39 26 6 LEU CD1 C 22.727 0.000 1 40 26 6 LEU CD2 C 20.946 0.000 1 41 26 6 LEU CG C 24.499 0.000 1 42 26 6 LEU N N 123.760 0.000 1 43 27 7 THR H H 8.532 0.007 1 44 27 7 THR HA H 4.466 0.000 1 45 27 7 THR HB H 4.616 0.000 1 46 27 7 THR HG2 H 1.376 0.000 1 47 27 7 THR CA C 58.676 0.000 1 48 27 7 THR CB C 68.095 0.000 1 49 27 7 THR CG2 C 18.830 0.000 1 50 27 7 THR N N 113.732 0.000 1 51 28 8 ALA H H 8.691 0.000 1 52 28 8 ALA HA H 4.247 0.000 1 53 28 8 ALA HB H 1.529 0.000 1 54 28 8 ALA CA C 51.890 0.000 1 55 28 8 ALA CB C 15.813 0.000 1 56 28 8 ALA N N 124.701 0.000 1 57 29 9 GLU H H 8.685 0.002 1 58 29 9 GLU HA H 4.240 0.000 1 59 29 9 GLU HB2 H 2.113 0.000 2 60 29 9 GLU HG2 H 2.456 0.000 1 61 29 9 GLU HG3 H 2.389 0.000 1 62 29 9 GLU CA C 56.346 0.000 1 63 29 9 GLU CB C 26.952 0.000 1 64 29 9 GLU CG C 34.225 0.000 1 65 29 9 GLU N N 118.570 0.011 1 66 30 10 GLU H H 8.063 0.005 1 67 30 10 GLU HA H 4.247 0.006 1 68 30 10 GLU HB2 H 2.274 0.000 1 69 30 10 GLU HB3 H 2.109 0.000 1 70 30 10 GLU HG2 H 2.414 0.000 2 71 30 10 GLU CA C 55.585 0.000 1 72 30 10 GLU CB C 27.746 0.002 1 73 30 10 GLU CG C 34.454 0.000 1 74 30 10 GLU N N 120.952 0.000 1 75 31 11 MET H H 8.471 0.003 1 76 31 11 MET HA H 4.334 0.003 1 77 31 11 MET HB2 H 2.252 0.000 1 78 31 11 MET HB3 H 2.194 0.000 1 79 31 11 MET HE H 2.153 0.000 1 80 31 11 MET HG2 H 2.733 0.000 1 81 31 11 MET HG3 H 2.630 0.000 1 82 31 11 MET CA C 54.952 0.000 1 83 31 11 MET CB C 29.865 0.003 1 84 31 11 MET CE C 14.370 0.000 1 85 31 11 MET CG C 29.875 0.001 1 86 31 11 MET N N 119.925 0.031 1 87 32 12 ASP H H 8.258 0.004 1 88 32 12 ASP HA H 4.592 0.002 1 89 32 12 ASP HB2 H 2.896 0.000 1 90 32 12 ASP HB3 H 2.803 0.000 1 91 32 12 ASP CA C 53.900 0.000 1 92 32 12 ASP CB C 38.807 0.001 1 93 32 12 ASP N N 121.269 0.000 1 94 33 13 GLU H H 8.232 0.005 1 95 33 13 GLU HA H 4.154 0.002 1 96 33 13 GLU HB2 H 2.192 0.000 2 97 33 13 GLU HG2 H 2.387 0.001 2 98 33 13 GLU CA C 56.615 0.000 1 99 33 13 GLU CB C 26.815 0.000 1 100 33 13 GLU CG C 33.223 0.000 1 101 33 13 GLU N N 120.803 0.038 1 102 34 14 ARG H H 8.125 0.002 1 103 34 14 ARG HA H 4.225 0.002 1 104 34 14 ARG HB2 H 2.028 0.000 2 105 34 14 ARG HD2 H 3.295 0.000 2 106 34 14 ARG HG2 H 1.864 0.000 1 107 34 14 ARG HG3 H 1.816 0.000 1 108 34 14 ARG CA C 55.963 0.000 1 109 34 14 ARG CB C 27.124 0.000 1 110 34 14 ARG CD C 40.655 0.000 1 111 34 14 ARG CG C 24.709 0.004 1 112 34 14 ARG N N 118.935 0.000 1 113 35 15 ARG H H 8.138 0.005 1 114 35 15 ARG HA H 4.249 0.002 1 115 35 15 ARG HB2 H 2.062 0.000 2 116 35 15 ARG HD2 H 3.238 0.000 2 117 35 15 ARG HG2 H 1.817 0.000 1 118 35 15 ARG HG3 H 1.664 0.000 1 119 35 15 ARG CA C 56.512 0.000 1 120 35 15 ARG CB C 27.345 0.000 1 121 35 15 ARG CD C 40.662 0.000 1 122 35 15 ARG CG C 24.864 0.007 1 123 35 15 ARG N N 120.129 0.000 1 124 36 16 ARG H H 8.142 0.005 1 125 36 16 ARG HA H 4.156 0.005 1 126 36 16 ARG HB2 H 1.984 0.000 2 127 36 16 ARG HD2 H 3.312 0.000 1 128 36 16 ARG HD3 H 3.226 0.000 1 129 36 16 ARG HG2 H 1.931 0.000 1 130 36 16 ARG HG3 H 1.682 0.002 1 131 36 16 ARG CA C 56.591 0.000 1 132 36 16 ARG CB C 27.971 0.000 1 133 36 16 ARG CD C 41.020 0.000 1 134 36 16 ARG CG C 25.986 0.049 1 135 36 16 ARG N N 118.470 0.000 1 136 37 17 GLN H H 8.310 0.003 1 137 37 17 GLN HA H 4.118 0.001 1 138 37 17 GLN HB2 H 2.357 0.000 1 139 37 17 GLN HB3 H 2.284 0.000 1 140 37 17 GLN HE21 H 7.753 0.000 1 141 37 17 GLN HE22 H 6.930 0.000 1 142 37 17 GLN HG2 H 2.639 0.007 1 143 37 17 GLN HG3 H 2.463 0.003 1 144 37 17 GLN CA C 55.935 0.053 1 145 37 17 GLN CB C 25.694 0.006 1 146 37 17 GLN CG C 31.393 0.029 1 147 37 17 GLN N N 119.224 0.000 1 148 37 17 GLN NE2 N 111.322 0.006 1 149 38 18 ASN HA H 4.873 0.004 1 150 38 18 ASN HB2 H 3.217 0.022 1 151 38 18 ASN HB3 H 3.112 0.011 1 152 38 18 ASN HD21 H 7.823 0.000 1 153 38 18 ASN HD22 H 6.962 0.000 1 154 38 18 ASN CA C 52.882 0.000 1 155 38 18 ASN CB C 36.127 0.009 1 156 38 18 ASN ND2 N 112.339 0.006 1 157 39 19 VAL H H 8.432 0.000 1 158 39 19 VAL HA H 4.030 0.006 1 159 39 19 VAL HB H 2.258 0.000 1 160 39 19 VAL HG1 H 1.091 0.009 1 161 39 19 VAL HG2 H 1.239 0.002 1 162 39 19 VAL CA C 63.343 0.000 1 163 39 19 VAL CB C 29.319 0.000 1 164 39 19 VAL CG1 C 18.655 0.029 1 165 39 19 VAL CG2 C 19.999 0.036 1 166 39 19 VAL N N 122.567 0.000 1 167 40 20 ALA H H 7.940 0.001 1 168 40 20 ALA HA H 4.074 0.012 1 169 40 20 ALA HB H 1.614 0.007 1 170 40 20 ALA CA C 52.830 0.000 1 171 40 20 ALA CB C 16.209 0.014 1 172 40 20 ALA N N 122.057 0.000 1 173 41 21 TYR H H 8.369 0.003 1 174 41 21 TYR HA H 4.174 0.005 1 175 41 21 TYR HB2 H 3.294 0.006 2 176 41 21 TYR HD1 H 7.236 0.009 3 177 41 21 TYR HE1 H 6.689 0.005 3 178 41 21 TYR CA C 59.128 0.025 1 179 41 21 TYR CB C 35.710 0.000 1 180 41 21 TYR CD1 C 130.625 0.010 1 181 41 21 TYR CE1 C 116.071 0.016 1 182 41 21 TYR N N 117.018 0.038 1 183 42 22 GLU H H 8.629 0.005 1 184 42 22 GLU HA H 3.459 0.007 1 185 42 22 GLU HB2 H 2.299 0.005 1 186 42 22 GLU HB3 H 2.182 0.012 1 187 42 22 GLU HG2 H 1.956 0.004 2 188 42 22 GLU CA C 57.552 0.018 1 189 42 22 GLU CB C 25.971 0.009 1 190 42 22 GLU CG C 33.084 0.038 1 191 42 22 GLU N N 120.089 0.028 1 192 43 23 TYR H H 8.542 0.002 1 193 43 23 TYR HA H 4.180 0.003 1 194 43 23 TYR HB2 H 3.312 0.003 1 195 43 23 TYR HB3 H 2.932 0.013 1 196 43 23 TYR HD1 H 7.190 0.009 3 197 43 23 TYR HE1 H 6.825 0.012 3 198 43 23 TYR CA C 58.523 0.000 1 199 43 23 TYR CB C 35.741 0.038 1 200 43 23 TYR CD1 C 130.604 0.049 1 201 43 23 TYR CE1 C 114.932 0.020 1 202 43 23 TYR N N 118.459 0.000 1 203 44 24 LEU H H 8.109 0.007 1 204 44 24 LEU HA H 3.441 0.005 1 205 44 24 LEU HB2 H 1.411 0.008 1 206 44 24 LEU HB3 H -0.108 0.009 1 207 44 24 LEU HD1 H 0.413 0.009 1 208 44 24 LEU HD2 H 0.377 0.007 1 209 44 24 LEU HG H 1.396 0.000 1 210 44 24 LEU CA C 56.048 0.007 1 211 44 24 LEU CB C 37.532 0.003 1 212 44 24 LEU CD1 C 23.471 0.027 1 213 44 24 LEU CD2 C 20.513 0.044 1 214 44 24 LEU CG C 24.916 0.000 1 215 44 24 LEU N N 120.181 0.032 1 216 45 25 CYS H H 7.731 0.003 1 217 45 25 CYS HA H 3.967 0.003 1 218 45 25 CYS HB2 H 2.995 0.009 1 219 45 25 CYS HB3 H 2.160 0.006 1 220 45 25 CYS CA C 62.254 0.000 1 221 45 25 CYS CB C 22.763 0.054 1 222 45 25 CYS N N 115.850 0.022 1 223 46 26 HIS H H 7.904 0.004 1 224 46 26 HIS HA H 5.529 0.005 1 225 46 26 HIS HB2 H 2.809 0.017 1 226 46 26 HIS HB3 H 2.377 0.010 1 227 46 26 HIS HD2 H 6.502 0.007 1 228 46 26 HIS HE1 H 9.034 0.007 1 229 46 26 HIS CA C 53.717 0.006 1 230 46 26 HIS CB C 24.671 0.006 1 231 46 26 HIS CD2 C 119.160 0.011 1 232 46 26 HIS CE1 C 136.606 0.035 1 233 46 26 HIS N N 117.425 0.022 1 234 47 27 LEU H H 8.937 0.005 1 235 47 27 LEU HA H 3.972 0.002 1 236 47 27 LEU HB2 H 1.976 0.005 1 237 47 27 LEU HB3 H 1.329 0.000 1 238 47 27 LEU HD1 H 0.603 0.008 1 239 47 27 LEU HD2 H 0.801 0.008 1 240 47 27 LEU HG H 0.995 0.000 1 241 47 27 LEU CA C 55.838 0.009 1 242 47 27 LEU CB C 40.049 0.004 1 243 47 27 LEU CD1 C 24.140 0.029 1 244 47 27 LEU CD2 C 22.590 0.009 1 245 47 27 LEU CG C 24.159 0.000 1 246 47 27 LEU N N 126.703 0.038 1 247 48 28 GLU H H 8.362 0.002 1 248 48 28 GLU HA H 4.007 0.012 1 249 48 28 GLU HB2 H 2.676 0.005 1 250 48 28 GLU HB3 H 2.418 0.001 1 251 48 28 GLU HG2 H 2.361 0.008 1 252 48 28 GLU HG3 H 2.124 0.008 1 253 48 28 GLU CA C 56.828 0.000 1 254 48 28 GLU CB C 25.876 0.043 1 255 48 28 GLU CG C 32.553 0.000 1 256 48 28 GLU N N 122.981 0.031 1 257 49 29 GLU H H 8.925 0.005 1 258 49 29 GLU HA H 3.858 0.002 1 259 49 29 GLU HB2 H 2.683 0.000 1 260 49 29 GLU HG2 H 2.595 0.000 1 261 49 29 GLU CA C 56.484 0.000 1 262 49 29 GLU CB C 27.059 0.000 1 263 49 29 GLU CG C 33.633 0.000 1 264 49 29 GLU N N 118.431 0.000 1 265 50 30 ALA H H 8.072 0.005 1 266 50 30 ALA HA H 4.089 0.005 1 267 50 30 ALA HB H 1.734 0.009 1 268 50 30 ALA CA C 52.926 0.041 1 269 50 30 ALA CB C 15.285 0.027 1 270 50 30 ALA N N 120.618 0.052 1 271 51 31 LYS H H 9.028 0.004 1 272 51 31 LYS HA H 3.717 0.010 1 273 51 31 LYS HB2 H 2.216 0.003 1 274 51 31 LYS HB3 H 2.021 0.000 1 275 51 31 LYS HD2 H 1.897 0.000 1 276 51 31 LYS HD3 H 1.673 0.000 1 277 51 31 LYS HE2 H 3.170 0.003 1 278 51 31 LYS HE3 H 2.897 0.002 1 279 51 31 LYS HG2 H 1.303 0.015 1 280 51 31 LYS HG3 H 0.980 0.000 1 281 51 31 LYS CA C 57.529 0.035 1 282 51 31 LYS CB C 31.039 0.003 1 283 51 31 LYS CD C 27.580 0.005 1 284 51 31 LYS CE C 39.713 0.024 1 285 51 31 LYS CG C 21.984 0.000 1 286 51 31 LYS N N 120.417 0.043 1 287 52 32 ARG H H 8.621 0.005 1 288 52 32 ARG HA H 4.218 0.009 1 289 52 32 ARG HB2 H 1.950 0.003 2 290 52 32 ARG HD2 H 3.371 0.000 1 291 52 32 ARG HD3 H 2.958 0.005 1 292 52 32 ARG HG2 H 2.134 0.000 1 293 52 32 ARG HG3 H 1.869 0.000 1 294 52 32 ARG CA C 56.656 0.000 1 295 52 32 ARG CB C 27.613 0.000 1 296 52 32 ARG CD C 41.224 0.008 1 297 52 32 ARG CG C 24.723 0.000 1 298 52 32 ARG N N 115.290 0.040 1 299 53 33 TRP H H 8.075 0.004 1 300 53 33 TRP HA H 4.312 0.008 1 301 53 33 TRP HB2 H 3.406 0.008 1 302 53 33 TRP HB3 H 3.366 0.014 1 303 53 33 TRP HD1 H 6.897 0.008 1 304 53 33 TRP HE1 H 10.222 0.007 1 305 53 33 TRP HE3 H 7.336 0.005 1 306 53 33 TRP HZ2 H 7.224 0.006 1 307 53 33 TRP HZ3 H 7.030 0.007 1 308 53 33 TRP CA C 59.769 0.012 1 309 53 33 TRP CB C 25.679 0.038 1 310 53 33 TRP CD1 C 124.743 0.028 1 311 53 33 TRP CE3 C 117.403 0.036 1 312 53 33 TRP CZ2 C 112.235 0.000 1 313 53 33 TRP CZ3 C 119.899 0.000 1 314 53 33 TRP N N 121.302 0.035 1 315 53 33 TRP NE1 N 130.050 0.037 1 316 54 34 MET H H 8.920 0.005 1 317 54 34 MET HA H 3.242 0.012 1 318 54 34 MET HB2 H 2.428 0.000 1 319 54 34 MET HB3 H 2.382 0.000 1 320 54 34 MET HE H 1.881 0.008 1 321 54 34 MET CA C 58.363 0.000 1 322 54 34 MET CB C 31.711 0.000 1 323 54 34 MET CE C 14.321 0.031 1 324 54 34 MET N N 118.382 0.060 1 325 55 35 GLU H H 8.653 0.002 1 326 55 35 GLU HA H 3.979 0.004 1 327 55 35 GLU HB2 H 2.190 0.004 1 328 55 35 GLU HB3 H 1.886 0.003 1 329 55 35 GLU HG2 H 2.939 0.007 1 330 55 35 GLU HG3 H 2.693 0.011 1 331 55 35 GLU CA C 57.349 0.032 1 332 55 35 GLU CB C 26.990 0.000 1 333 55 35 GLU CG C 35.538 0.026 1 334 55 35 GLU N N 118.147 0.029 1 335 56 36 ALA H H 7.696 0.002 1 336 56 36 ALA HA H 4.063 0.003 1 337 56 36 ALA HB H 1.481 0.003 1 338 56 36 ALA CA C 51.927 0.000 1 339 56 36 ALA CB C 14.954 0.021 1 340 56 36 ALA N N 122.613 0.032 1 341 57 37 CYS H H 7.305 0.004 1 342 57 37 CYS HA H 3.378 0.004 1 343 57 37 CYS HB2 H 1.911 0.002 1 344 57 37 CYS HB3 H 0.604 0.005 1 345 57 37 CYS CA C 60.106 0.019 1 346 57 37 CYS CB C 23.719 0.004 1 347 57 37 CYS N N 115.019 0.045 1 348 58 38 LEU H H 8.138 0.001 1 349 58 38 LEU HA H 4.043 0.006 1 350 58 38 LEU HB2 H 1.648 0.013 1 351 58 38 LEU HB3 H 1.543 0.002 1 352 58 38 LEU HD1 H 0.839 0.014 1 353 58 38 LEU HD2 H 0.727 0.006 1 354 58 38 LEU HG H 1.679 0.000 1 355 58 38 LEU CA C 52.790 0.002 1 356 58 38 LEU CB C 40.154 0.001 1 357 58 38 LEU CD1 C 22.512 0.004 1 358 58 38 LEU CD2 C 19.759 0.024 1 359 58 38 LEU CG C 24.530 0.000 1 360 58 38 LEU N N 113.363 0.037 1 361 59 39 GLY H H 8.247 0.004 1 362 59 39 GLY HA2 H 3.896 0.009 1 363 59 39 GLY HA3 H 3.820 0.004 1 364 59 39 GLY CA C 43.986 0.000 1 365 59 39 GLY N N 108.039 0.035 1 366 60 40 GLU H H 6.914 0.002 1 367 60 40 GLU HA H 4.664 0.003 1 368 60 40 GLU HB2 H 1.996 0.000 1 369 60 40 GLU HB3 H 1.855 0.000 1 370 60 40 GLU HG2 H 2.001 0.000 1 371 60 40 GLU HG3 H 1.917 0.002 1 372 60 40 GLU CA C 50.943 0.000 1 373 60 40 GLU CB C 30.986 0.005 1 374 60 40 GLU CG C 33.018 0.013 1 375 60 40 GLU N N 113.914 0.036 1 376 61 41 ASP H H 8.179 0.008 1 377 61 41 ASP HA H 4.509 0.006 1 378 61 41 ASP HB2 H 2.599 0.000 1 379 61 41 ASP HB3 H 2.494 0.000 1 380 61 41 ASP CA C 51.652 0.032 1 381 61 41 ASP CB C 38.758 0.000 1 382 61 41 ASP N N 118.265 0.045 1 383 62 42 LEU H H 9.967 0.004 1 384 62 42 LEU HA H 4.232 0.005 1 385 62 42 LEU HB2 H 1.452 0.007 2 386 62 42 LEU HD1 H 0.416 0.006 1 387 62 42 LEU HD2 H 0.489 0.012 1 388 62 42 LEU HG H 0.576 0.000 1 389 62 42 LEU CA C 51.442 0.000 1 390 62 42 LEU CB C 38.465 0.000 1 391 62 42 LEU CD1 C 21.122 0.045 1 392 62 42 LEU CD2 C 23.341 0.047 1 393 62 42 LEU CG C 28.608 0.000 1 394 62 42 LEU N N 129.529 0.029 1 395 63 43 PRO HA H 4.671 0.003 1 396 63 43 PRO HB2 H 2.658 0.002 1 397 63 43 PRO HB3 H 1.515 0.000 1 398 63 43 PRO HD2 H 3.708 0.006 1 399 63 43 PRO HD3 H 3.104 0.007 1 400 63 43 PRO HG2 H 2.347 0.000 1 401 63 43 PRO HG3 H 1.968 0.000 1 402 63 43 PRO CA C 59.354 0.019 1 403 63 43 PRO CB C 28.011 0.026 1 404 63 43 PRO CD C 47.556 0.014 1 405 63 43 PRO CG C 25.385 0.002 1 406 64 44 PRO HA H 4.391 0.012 1 407 64 44 PRO HB2 H 2.536 0.004 1 408 64 44 PRO HB3 H 1.889 0.006 1 409 64 44 PRO HD2 H 3.851 0.011 1 410 64 44 PRO HD3 H 3.559 0.004 1 411 64 44 PRO CA C 60.069 0.008 1 412 64 44 PRO CB C 30.049 0.003 1 413 64 44 PRO CD C 47.771 0.016 1 414 65 45 THR H H 8.882 0.004 1 415 65 45 THR HA H 3.591 0.005 1 416 65 45 THR HB H 4.282 0.001 1 417 65 45 THR HG2 H 1.270 0.013 1 418 65 45 THR CA C 65.614 0.021 1 419 65 45 THR CB C 65.621 0.000 1 420 65 45 THR CG2 C 21.693 0.021 1 421 65 45 THR N N 120.360 0.029 1 422 66 46 THR H H 8.076 0.005 1 423 66 46 THR HA H 3.920 0.009 1 424 66 46 THR HB H 4.606 0.002 1 425 66 46 THR HG2 H 1.455 0.005 1 426 66 46 THR CA C 61.532 0.012 1 427 66 46 THR CB C 65.695 0.004 1 428 66 46 THR CG2 C 19.511 0.011 1 429 66 46 THR N N 106.898 0.042 1 430 67 47 GLU H H 8.116 0.005 1 431 67 47 GLU HA H 4.994 0.004 1 432 67 47 GLU HB2 H 2.444 0.002 1 433 67 47 GLU HB3 H 1.777 0.000 1 434 67 47 GLU HG2 H 2.291 0.009 1 435 67 47 GLU HG3 H 2.236 0.006 1 436 67 47 GLU CA C 52.760 0.000 1 437 67 47 GLU CB C 28.446 0.011 1 438 67 47 GLU CG C 33.846 0.006 1 439 67 47 GLU N N 119.349 0.000 1 440 68 48 LEU H H 7.547 0.004 1 441 68 48 LEU HA H 3.789 0.001 1 442 68 48 LEU HB2 H 1.876 0.004 1 443 68 48 LEU HB3 H 1.573 0.011 1 444 68 48 LEU HD1 H 0.846 0.008 1 445 68 48 LEU HD2 H 0.889 0.009 1 446 68 48 LEU HG H 1.540 0.000 1 447 68 48 LEU CA C 55.748 0.000 1 448 68 48 LEU CB C 40.425 0.003 1 449 68 48 LEU CD1 C 21.211 0.019 1 450 68 48 LEU CD2 C 24.237 0.000 1 451 68 48 LEU CG C 24.152 0.000 1 452 68 48 LEU N N 124.817 0.034 1 453 69 49 GLU H H 8.994 0.005 1 454 69 49 GLU HA H 3.820 0.006 1 455 69 49 GLU HB2 H 2.350 0.005 1 456 69 49 GLU HB3 H 1.786 0.003 1 457 69 49 GLU HG2 H 2.902 0.012 1 458 69 49 GLU HG3 H 1.906 0.002 1 459 69 49 GLU CA C 59.145 0.018 1 460 69 49 GLU CB C 28.060 0.003 1 461 69 49 GLU CG C 37.092 0.032 1 462 69 49 GLU N N 115.905 0.044 1 463 70 50 GLU H H 8.627 0.002 1 464 70 50 GLU HA H 3.847 0.007 1 465 70 50 GLU HB2 H 2.108 0.000 2 466 70 50 GLU HG2 H 2.452 0.008 2 467 70 50 GLU CA C 56.470 0.000 1 468 70 50 GLU CB C 26.756 0.000 1 469 70 50 GLU CG C 32.962 0.000 1 470 70 50 GLU N N 117.526 0.039 1 471 71 51 GLY H H 7.914 0.005 1 472 71 51 GLY HA2 H 4.192 0.004 1 473 71 51 GLY HA3 H 3.635 0.006 1 474 71 51 GLY CA C 43.632 0.042 1 475 71 51 GLY N N 103.994 0.048 1 476 72 52 LEU H H 7.770 0.002 1 477 72 52 LEU HA H 4.691 0.021 1 478 72 52 LEU HB2 H 2.103 0.000 1 479 72 52 LEU HB3 H 1.405 0.003 1 480 72 52 LEU HD1 H 0.755 0.011 1 481 72 52 LEU HD2 H 0.814 0.007 1 482 72 52 LEU HG H 2.077 0.000 1 483 72 52 LEU CA C 52.129 0.000 1 484 72 52 LEU CB C 41.029 0.002 1 485 72 52 LEU CD1 C 23.597 0.031 1 486 72 52 LEU CD2 C 20.259 0.036 1 487 72 52 LEU CG C 23.540 0.000 1 488 72 52 LEU N N 119.922 0.028 1 489 73 53 ARG H H 7.263 0.002 1 490 73 53 ARG HA H 3.799 0.008 1 491 73 53 ARG HB2 H 2.081 0.004 1 492 73 53 ARG HB3 H 1.729 0.000 1 493 73 53 ARG HD2 H 3.386 0.006 1 494 73 53 ARG HD3 H 3.244 0.001 1 495 73 53 ARG HG2 H 2.469 0.000 1 496 73 53 ARG HG3 H 2.044 0.000 1 497 73 53 ARG CA C 57.197 0.007 1 498 73 53 ARG CB C 29.622 0.003 1 499 73 53 ARG CD C 42.035 0.000 1 500 73 53 ARG CG C 22.750 0.006 1 501 73 53 ARG N N 119.151 0.037 1 502 74 54 ASN H H 8.262 0.002 1 503 74 54 ASN HA H 4.087 0.007 1 504 74 54 ASN HB2 H 2.315 0.010 1 505 74 54 ASN HB3 H 1.561 0.007 1 506 74 54 ASN CA C 49.508 0.000 1 507 74 54 ASN CB C 32.967 0.053 1 508 74 54 ASN N N 108.787 0.035 1 509 75 55 GLY H H 7.744 0.005 1 510 75 55 GLY HA2 H 4.081 0.009 1 511 75 55 GLY HA3 H 3.639 0.009 1 512 75 55 GLY CA C 45.252 0.033 1 513 75 55 GLY N N 103.567 0.034 1 514 76 56 VAL H H 8.090 0.006 1 515 76 56 VAL HA H 3.302 0.008 1 516 76 56 VAL HB H 1.450 0.003 1 517 76 56 VAL HG1 H 0.699 0.006 1 518 76 56 VAL HG2 H 0.839 0.015 1 519 76 56 VAL CA C 66.101 0.000 1 520 76 56 VAL CB C 28.094 0.000 1 521 76 56 VAL CG1 C 18.835 0.016 1 522 76 56 VAL CG2 C 20.788 0.000 1 523 76 56 VAL N N 123.172 0.025 1 524 77 57 TYR H H 7.992 0.002 1 525 77 57 TYR HA H 4.169 0.006 1 526 77 57 TYR HB2 H 2.841 0.007 1 527 77 57 TYR HB3 H 2.584 0.006 1 528 77 57 TYR HD1 H 6.930 0.007 3 529 77 57 TYR HE1 H 6.884 0.010 3 530 77 57 TYR CA C 59.805 0.019 1 531 77 57 TYR CB C 34.209 0.013 1 532 77 57 TYR CD1 C 130.030 0.032 1 533 77 57 TYR CE1 C 115.995 0.045 1 534 77 57 TYR N N 115.408 0.042 1 535 78 58 LEU H H 7.777 0.005 1 536 78 58 LEU HA H 3.582 0.007 1 537 78 58 LEU HB2 H 1.382 0.005 1 538 78 58 LEU HB3 H 0.396 0.000 1 539 78 58 LEU HD1 H 0.467 0.010 1 540 78 58 LEU HD2 H -0.290 0.006 1 541 78 58 LEU HG H 1.577 0.000 1 542 78 58 LEU CA C 55.117 0.030 1 543 78 58 LEU CB C 36.369 0.015 1 544 78 58 LEU CD1 C 23.497 0.004 1 545 78 58 LEU CD2 C 17.600 0.041 1 546 78 58 LEU CG C 22.727 0.000 1 547 78 58 LEU N N 117.735 0.029 1 548 79 59 ALA H H 8.822 0.002 1 549 79 59 ALA HA H 4.056 0.008 1 550 79 59 ALA HB H 1.622 0.011 1 551 79 59 ALA CA C 53.637 0.000 1 552 79 59 ALA CB C 15.512 0.053 1 553 79 59 ALA N N 122.596 0.036 1 554 80 60 LYS H H 8.785 0.003 1 555 80 60 LYS HA H 3.722 0.004 1 556 80 60 LYS HB2 H 2.124 0.010 1 557 80 60 LYS HB3 H 1.929 0.000 1 558 80 60 LYS HD2 H 1.797 0.004 1 559 80 60 LYS HD3 H 1.543 0.000 1 560 80 60 LYS HE2 H 2.910 0.000 1 561 80 60 LYS HE3 H 2.779 0.000 1 562 80 60 LYS HG2 H 1.188 0.003 2 563 80 60 LYS CA C 58.228 0.019 1 564 80 60 LYS CB C 30.504 0.012 1 565 80 60 LYS CD C 27.931 0.002 1 566 80 60 LYS CE C 38.732 0.000 1 567 80 60 LYS CG C 24.568 0.000 1 568 80 60 LYS N N 118.327 0.021 1 569 81 61 LEU H H 8.570 0.006 1 570 81 61 LEU HA H 4.212 0.003 1 571 81 61 LEU HB2 H 2.475 0.008 1 572 81 61 LEU HB3 H 1.845 0.004 1 573 81 61 LEU HD1 H 1.020 0.016 1 574 81 61 LEU HD2 H 1.298 0.009 1 575 81 61 LEU HG H 2.244 0.007 1 576 81 61 LEU CA C 55.301 0.000 1 577 81 61 LEU CB C 39.696 0.011 1 578 81 61 LEU CD1 C 21.246 0.046 1 579 81 61 LEU CD2 C 23.705 0.018 1 580 81 61 LEU CG C 24.715 0.000 1 581 81 61 LEU N N 123.376 0.039 1 582 82 62 GLY H H 8.736 0.004 1 583 82 62 GLY HA2 H 3.330 0.005 1 584 82 62 GLY HA3 H 3.123 0.007 1 585 82 62 GLY CA C 44.682 0.020 1 586 82 62 GLY N N 105.844 0.041 1 587 83 63 ASN H H 8.062 0.002 1 588 83 63 ASN HA H 4.265 0.012 1 589 83 63 ASN HB2 H 2.692 0.006 1 590 83 63 ASN HB3 H 2.627 0.015 1 591 83 63 ASN CA C 54.279 0.041 1 592 83 63 ASN CB C 37.225 0.007 1 593 83 63 ASN N N 118.828 0.018 1 594 84 64 PHE H H 7.688 0.004 1 595 84 64 PHE HA H 4.432 0.005 1 596 84 64 PHE HB2 H 3.829 0.011 1 597 84 64 PHE HB3 H 3.325 0.009 1 598 84 64 PHE HD1 H 7.401 0.003 3 599 84 64 PHE CA C 57.395 0.007 1 600 84 64 PHE CB C 35.282 0.013 1 601 84 64 PHE CD1 C 130.014 0.011 1 602 84 64 PHE N N 118.714 0.028 1 603 85 65 PHE H H 7.310 0.002 1 604 85 65 PHE HA H 5.003 0.005 1 605 85 65 PHE HB2 H 3.523 0.011 1 606 85 65 PHE HB3 H 2.836 0.002 1 607 85 65 PHE HD1 H 7.471 0.007 3 608 85 65 PHE CA C 53.905 0.027 1 609 85 65 PHE CB C 37.921 0.024 1 610 85 65 PHE CD1 C 132.096 0.034 1 611 85 65 PHE N N 110.477 0.041 1 612 86 66 SER HA H 5.035 0.002 1 613 86 66 SER HB2 H 3.957 0.000 1 614 86 66 SER HB3 H 3.646 0.008 1 615 86 66 SER CA C 53.852 0.042 1 616 86 66 SER CB C 60.694 0.009 1 617 87 67 PRO HA H 4.643 0.009 1 618 87 67 PRO HB2 H 2.560 0.000 1 619 87 67 PRO HB3 H 2.003 0.000 1 620 87 67 PRO HD2 H 3.689 0.004 1 621 87 67 PRO HD3 H 3.353 0.016 1 622 87 67 PRO HG2 H 1.959 0.016 2 623 87 67 PRO CA C 61.975 0.012 1 624 87 67 PRO CB C 28.852 0.003 1 625 87 67 PRO CD C 47.570 0.002 1 626 87 67 PRO CG C 24.553 0.000 1 627 88 68 LYS H H 8.229 0.002 1 628 88 68 LYS HA H 4.199 0.024 1 629 88 68 LYS HB2 H 1.872 0.000 2 630 88 68 LYS HD2 H 1.737 0.000 2 631 88 68 LYS HE2 H 3.035 0.000 2 632 88 68 LYS HG2 H 1.502 0.007 2 633 88 68 LYS CA C 55.094 0.000 1 634 88 68 LYS CB C 29.591 0.000 1 635 88 68 LYS CD C 26.446 0.000 1 636 88 68 LYS CE C 39.320 0.000 1 637 88 68 LYS CG C 22.940 0.000 1 638 88 68 LYS N N 116.637 0.045 1 639 89 69 VAL H H 7.531 0.003 1 640 89 69 VAL HA H 4.063 0.002 1 641 89 69 VAL HB H 2.161 0.005 1 642 89 69 VAL HG1 H 0.948 0.007 1 643 89 69 VAL HG2 H 0.972 0.007 1 644 89 69 VAL CA C 61.139 0.000 1 645 89 69 VAL CB C 30.286 0.000 1 646 89 69 VAL CG1 C 18.562 0.051 1 647 89 69 VAL CG2 C 19.893 0.000 1 648 89 69 VAL N N 117.668 0.000 1 649 90 70 VAL H H 7.671 0.005 1 650 90 70 VAL HA H 4.296 0.007 1 651 90 70 VAL HB H 1.733 0.000 1 652 90 70 VAL HG1 H 0.922 0.013 1 653 90 70 VAL HG2 H 0.893 0.015 1 654 90 70 VAL CA C 58.525 0.000 1 655 90 70 VAL CB C 29.755 0.000 1 656 90 70 VAL CG1 C 18.461 0.000 1 657 90 70 VAL CG2 C 19.961 0.000 1 658 90 70 VAL N N 119.703 0.041 1 659 91 71 SER H H 7.952 0.006 1 660 91 71 SER HA H 4.722 0.000 1 661 91 71 SER HB2 H 4.093 0.000 1 662 91 71 SER HB3 H 3.791 0.004 1 663 91 71 SER CA C 53.484 0.000 1 664 91 71 SER CB C 61.307 0.020 1 665 91 71 SER N N 120.419 0.000 1 666 92 72 LEU H H 8.941 0.003 1 667 92 72 LEU HA H 3.973 0.001 1 668 92 72 LEU HB2 H 1.858 0.000 1 669 92 72 LEU HB3 H 1.461 0.000 1 670 92 72 LEU HD1 H 1.021 0.000 1 671 92 72 LEU HD2 H 0.884 0.000 1 672 92 72 LEU HG H 1.783 0.000 1 673 92 72 LEU CA C 55.468 0.000 1 674 92 72 LEU CB C 39.175 0.007 1 675 92 72 LEU CD1 C 22.494 0.000 1 676 92 72 LEU CD2 C 20.700 0.000 1 677 92 72 LEU CG C 24.020 0.000 1 678 92 72 LEU N N 126.661 0.049 1 679 93 73 LYS HA H 4.174 0.028 1 680 93 73 LYS HB2 H 1.946 0.000 1 681 93 73 LYS HB3 H 1.838 0.000 1 682 93 73 LYS HD2 H 1.752 0.000 2 683 93 73 LYS HE2 H 3.040 0.000 2 684 93 73 LYS HG2 H 1.538 0.000 2 685 93 73 LYS CA C 55.180 0.000 1 686 93 73 LYS CB C 29.590 0.004 1 687 93 73 LYS CD C 26.466 0.000 1 688 93 73 LYS CE C 39.324 0.000 1 689 93 73 LYS CG C 22.634 0.000 1 690 94 74 LYS H H 7.503 0.003 1 691 94 74 LYS HA H 4.420 0.002 1 692 94 74 LYS HB2 H 2.204 0.003 1 693 94 74 LYS HB3 H 1.914 0.003 1 694 94 74 LYS HD2 H 1.814 0.000 2 695 94 74 LYS HE2 H 3.106 0.012 2 696 94 74 LYS HG2 H 1.586 0.012 1 697 94 74 LYS HG3 H 1.438 0.000 1 698 94 74 LYS CA C 52.820 0.000 1 699 94 74 LYS CB C 30.007 0.000 1 700 94 74 LYS CD C 26.104 0.000 1 701 94 74 LYS CE C 39.324 0.000 1 702 94 74 LYS CG C 22.720 0.007 1 703 94 74 LYS N N 116.940 0.000 1 704 95 75 ILE H H 7.163 0.004 1 705 95 75 ILE HA H 3.997 0.006 1 706 95 75 ILE HB H 1.806 0.005 1 707 95 75 ILE HD1 H 0.763 0.004 1 708 95 75 ILE HG12 H 2.068 0.007 1 709 95 75 ILE HG13 H 0.793 0.000 1 710 95 75 ILE HG2 H 0.774 0.003 1 711 95 75 ILE CA C 60.045 0.000 1 712 95 75 ILE CB C 35.976 0.000 1 713 95 75 ILE CD1 C 11.704 0.018 1 714 95 75 ILE CG1 C 24.850 0.017 1 715 95 75 ILE CG2 C 13.977 0.025 1 716 95 75 ILE N N 121.150 0.015 1 717 96 76 TYR H H 9.464 0.011 1 718 96 76 TYR HA H 4.396 0.006 1 719 96 76 TYR HB2 H 3.192 0.006 1 720 96 76 TYR HB3 H 2.716 0.006 1 721 96 76 TYR HD1 H 6.845 0.002 3 722 96 76 TYR HE1 H 6.154 0.000 3 723 96 76 TYR CA C 55.637 0.000 1 724 96 76 TYR CB C 36.118 0.009 1 725 96 76 TYR CD1 C 131.524 0.000 1 726 96 76 TYR CE1 C 115.610 0.000 1 727 96 76 TYR N N 132.837 0.037 1 728 97 77 ASP H H 8.408 0.004 1 729 97 77 ASP HA H 4.032 0.001 1 730 97 77 ASP HB2 H 3.235 0.011 1 731 97 77 ASP HB3 H 1.345 0.004 1 732 97 77 ASP CA C 50.982 0.000 1 733 97 77 ASP CB C 37.758 0.003 1 734 97 77 ASP N N 127.357 0.030 1 735 98 78 ARG H H 7.783 0.005 1 736 98 78 ARG HA H 3.696 0.002 1 737 98 78 ARG HB2 H 1.785 0.010 2 738 98 78 ARG HD2 H 3.333 0.013 2 739 98 78 ARG HG2 H 1.710 0.003 1 740 98 78 ARG HG3 H 1.402 0.005 1 741 98 78 ARG CA C 57.078 0.000 1 742 98 78 ARG CB C 28.131 0.000 1 743 98 78 ARG CD C 40.868 0.000 1 744 98 78 ARG CG C 24.997 0.001 1 745 98 78 ARG N N 117.452 0.044 1 746 99 79 GLU H H 8.419 0.020 1 747 99 79 GLU HA H 4.417 0.010 1 748 99 79 GLU HB2 H 2.320 0.002 1 749 99 79 GLU HB3 H 2.022 0.006 1 750 99 79 GLU HG2 H 2.329 0.001 2 751 99 79 GLU CA C 53.735 0.000 1 752 99 79 GLU CB C 26.760 0.023 1 753 99 79 GLU CG C 34.438 0.000 1 754 99 79 GLU N N 114.485 0.034 1 755 100 80 GLN H H 8.473 0.003 1 756 100 80 GLN HA H 4.107 0.006 1 757 100 80 GLN HB2 H 2.409 0.000 2 758 100 80 GLN HG2 H 2.219 0.015 1 759 100 80 GLN HG3 H 1.834 0.009 1 760 100 80 GLN CA C 55.348 0.000 1 761 100 80 GLN CB C 24.457 0.000 1 762 100 80 GLN CG C 33.493 0.012 1 763 100 80 GLN N N 113.958 0.029 1 764 101 81 THR H H 7.572 0.002 1 765 101 81 THR HA H 3.947 0.012 1 766 101 81 THR HB H 4.183 0.004 1 767 101 81 THR HG2 H 1.303 0.009 1 768 101 81 THR CA C 62.249 0.000 1 769 101 81 THR CB C 65.984 0.000 1 770 101 81 THR CG2 C 20.070 0.016 1 771 101 81 THR N N 112.421 0.018 1 772 102 82 ARG H H 10.449 0.003 1 773 102 82 ARG HA H 4.364 0.010 1 774 102 82 ARG HB2 H 1.681 0.010 2 775 102 82 ARG HD2 H 3.152 0.000 1 776 102 82 ARG HD3 H 2.918 0.016 1 777 102 82 ARG HG2 H 1.922 0.000 1 778 102 82 ARG HG3 H 1.815 0.000 1 779 102 82 ARG CA C 56.809 0.000 1 780 102 82 ARG CB C 25.248 0.000 1 781 102 82 ARG CD C 40.736 0.006 1 782 102 82 ARG CG C 25.427 0.000 1 783 102 82 ARG N N 127.692 0.038 1 784 103 83 TYR H H 9.973 0.004 1 785 103 83 TYR HA H 4.629 0.012 1 786 103 83 TYR HB2 H 3.238 0.010 1 787 103 83 TYR HB3 H 2.880 0.007 1 788 103 83 TYR HD1 H 6.891 0.009 3 789 103 83 TYR HE1 H 6.918 0.012 3 790 103 83 TYR CA C 57.546 0.029 1 791 103 83 TYR CB C 35.546 0.003 1 792 103 83 TYR CE1 C 117.012 0.017 1 793 103 83 TYR N N 123.338 0.044 1 794 104 84 LYS H H 8.410 0.005 1 795 104 84 LYS HA H 3.795 0.003 1 796 104 84 LYS HB2 H 1.935 0.006 2 797 104 84 LYS HD2 H 1.765 0.000 2 798 104 84 LYS HE2 H 3.056 0.000 2 799 104 84 LYS HG2 H 1.874 0.000 1 800 104 84 LYS HG3 H 1.634 0.003 1 801 104 84 LYS CA C 56.507 0.000 1 802 104 84 LYS CB C 30.024 0.000 1 803 104 84 LYS CD C 26.466 0.000 1 804 104 84 LYS CE C 39.416 0.000 1 805 104 84 LYS CG C 23.715 0.006 1 806 104 84 LYS N N 117.365 0.036 1 807 105 85 ALA H H 7.576 0.002 1 808 105 85 ALA HA H 4.516 0.003 1 809 105 85 ALA HB H 1.690 0.006 1 810 105 85 ALA CA C 51.787 0.000 1 811 105 85 ALA CB C 17.690 0.008 1 812 105 85 ALA N N 120.169 0.050 1 813 106 86 THR H H 8.878 0.008 1 814 106 86 THR HA H 4.646 0.003 1 815 106 86 THR HB H 4.609 0.005 1 816 106 86 THR HG2 H 1.236 0.002 1 817 106 86 THR CA C 58.554 0.005 1 818 106 86 THR CB C 68.098 0.024 1 819 106 86 THR CG2 C 19.442 0.031 1 820 106 86 THR N N 106.081 0.052 1 821 107 87 GLY H H 8.129 0.004 1 822 107 87 GLY HA2 H 4.418 0.010 1 823 107 87 GLY HA3 H 3.679 0.006 1 824 107 87 GLY CA C 42.207 0.021 1 825 107 87 GLY N N 112.614 0.033 1 826 108 88 LEU H H 8.634 0.002 1 827 108 88 LEU HA H 4.737 0.007 1 828 108 88 LEU HB2 H 1.762 0.002 1 829 108 88 LEU HB3 H 1.685 0.000 1 830 108 88 LEU HD1 H 0.782 0.009 1 831 108 88 LEU HD2 H 0.678 0.010 1 832 108 88 LEU HG H 1.853 0.009 1 833 108 88 LEU CA C 53.474 0.006 1 834 108 88 LEU CB C 40.380 0.001 1 835 108 88 LEU CD1 C 21.955 0.016 1 836 108 88 LEU CD2 C 21.132 0.036 1 837 108 88 LEU CG C 24.327 0.000 1 838 108 88 LEU N N 121.930 0.040 1 839 109 89 HIS H H 11.428 0.008 1 840 109 89 HIS HA H 5.074 0.004 1 841 109 89 HIS HB2 H 3.314 0.010 1 842 109 89 HIS HB3 H 3.033 0.014 1 843 109 89 HIS HD2 H 7.109 0.013 1 844 109 89 HIS HE1 H 8.077 0.007 1 845 109 89 HIS CA C 53.277 0.000 1 846 109 89 HIS CB C 31.622 0.001 1 847 109 89 HIS CD2 C 117.614 0.039 1 848 109 89 HIS CE1 C 134.793 0.042 1 849 109 89 HIS N N 128.779 0.038 1 850 110 90 PHE HA H 4.266 0.001 1 851 110 90 PHE HB2 H 3.222 0.002 1 852 110 90 PHE HB3 H 2.949 0.002 1 853 110 90 PHE HD1 H 7.101 0.004 3 854 110 90 PHE CA C 59.035 0.000 1 855 110 90 PHE CB C 35.735 0.005 1 856 110 90 PHE CD1 C 129.687 0.004 1 857 111 91 ARG HA H 3.810 0.020 1 858 111 91 ARG HB2 H 0.810 0.000 1 859 111 91 ARG HB3 H 0.518 0.002 1 860 111 91 ARG HD2 H 2.983 0.007 1 861 111 91 ARG HD3 H 2.854 0.000 1 862 111 91 ARG HG2 H 1.264 0.001 1 863 111 91 ARG HG3 H 1.116 0.005 1 864 111 91 ARG CA C 55.736 0.000 1 865 111 91 ARG CB C 25.118 0.000 1 866 111 91 ARG CD C 39.822 0.009 1 867 111 91 ARG CG C 24.570 0.001 1 868 112 92 HIS H H 8.844 0.014 1 869 112 92 HIS HA H 4.617 0.008 1 870 112 92 HIS HB2 H 3.850 0.003 2 871 112 92 HIS HD2 H 7.081 0.005 1 872 112 92 HIS HE1 H 7.386 0.004 1 873 112 92 HIS CA C 59.835 0.029 1 874 112 92 HIS CB C 28.432 0.037 1 875 112 92 HIS CD2 C 114.627 0.030 1 876 112 92 HIS CE1 C 135.747 0.012 1 877 112 92 HIS N N 116.648 0.037 1 878 113 93 THR H H 8.104 0.011 1 879 113 93 THR HA H 3.882 0.015 1 880 113 93 THR HB H 3.975 0.007 1 881 113 93 THR HG2 H 0.751 0.007 1 882 113 93 THR CA C 63.853 0.000 1 883 113 93 THR CB C 66.342 0.027 1 884 113 93 THR CG2 C 18.710 0.013 1 885 113 93 THR N N 112.487 0.038 1 886 114 94 ASP H H 7.459 0.005 1 887 114 94 ASP HA H 4.482 0.003 1 888 114 94 ASP HB2 H 2.848 0.003 1 889 114 94 ASP HB3 H 2.798 0.010 1 890 114 94 ASP CA C 54.749 0.041 1 891 114 94 ASP CB C 37.919 0.000 1 892 114 94 ASP N N 121.276 0.046 1 893 115 95 ASN H H 7.848 0.001 1 894 115 95 ASN HA H 4.621 0.006 1 895 115 95 ASN HB2 H 3.685 0.009 1 896 115 95 ASN HB3 H 3.126 0.006 1 897 115 95 ASN CA C 52.888 0.000 1 898 115 95 ASN CB C 35.023 0.021 1 899 115 95 ASN N N 116.964 0.034 1 900 116 96 VAL H H 7.272 0.003 1 901 116 96 VAL HA H 3.853 0.003 1 902 116 96 VAL HB H 2.639 0.004 1 903 116 96 VAL HG1 H 1.390 0.005 1 904 116 96 VAL HG2 H 1.323 0.006 1 905 116 96 VAL CA C 64.291 0.000 1 906 116 96 VAL CB C 29.101 0.000 1 907 116 96 VAL CG1 C 20.902 0.041 1 908 116 96 VAL CG2 C 21.412 0.048 1 909 116 96 VAL N N 118.357 0.044 1 910 117 97 ILE H H 7.696 0.005 1 911 117 97 ILE HA H 3.806 0.009 1 912 117 97 ILE HB H 2.187 0.005 1 913 117 97 ILE HD1 H 0.999 0.009 1 914 117 97 ILE HG12 H 1.791 0.009 1 915 117 97 ILE HG13 H 1.373 0.016 1 916 117 97 ILE HG2 H 1.051 0.009 1 917 117 97 ILE CA C 62.293 0.000 1 918 117 97 ILE CB C 34.867 0.015 1 919 117 97 ILE CD1 C 9.680 0.004 1 920 117 97 ILE CG1 C 26.599 0.002 1 921 117 97 ILE CG2 C 14.565 0.017 1 922 117 97 ILE N N 119.520 0.030 1 923 118 98 GLN H H 8.039 0.002 1 924 118 98 GLN HA H 4.205 0.008 1 925 118 98 GLN HB2 H 2.366 0.003 2 926 118 98 GLN HE21 H 7.250 0.000 1 927 118 98 GLN HE22 H 6.498 0.000 1 928 118 98 GLN HG2 H 2.745 0.027 1 929 118 98 GLN HG3 H 2.684 0.005 1 930 118 98 GLN CA C 57.233 0.000 1 931 118 98 GLN CB C 25.895 0.000 1 932 118 98 GLN CG C 31.811 0.047 1 933 118 98 GLN N N 117.255 0.027 1 934 118 98 GLN NE2 N 109.328 0.002 1 935 119 99 TRP H H 7.575 0.001 1 936 119 99 TRP HA H 4.321 0.012 1 937 119 99 TRP HB2 H 3.834 0.007 1 938 119 99 TRP HB3 H 2.930 0.003 1 939 119 99 TRP HD1 H 7.184 0.007 1 940 119 99 TRP HE1 H 7.871 0.003 1 941 119 99 TRP HE3 H 7.712 0.012 1 942 119 99 TRP HZ2 H 7.205 0.007 1 943 119 99 TRP HZ3 H 7.008 0.011 1 944 119 99 TRP CA C 58.663 0.008 1 945 119 99 TRP CB C 24.694 0.004 1 946 119 99 TRP CD1 C 124.220 0.048 1 947 119 99 TRP CE3 C 118.547 0.033 1 948 119 99 TRP CZ2 C 113.106 0.000 1 949 119 99 TRP CZ3 C 119.807 0.000 1 950 119 99 TRP N N 119.125 0.030 1 951 119 99 TRP NE1 N 121.941 0.037 1 952 120 100 LEU H H 8.457 0.004 1 953 120 100 LEU HA H 3.277 0.007 1 954 120 100 LEU HB2 H 2.146 0.000 1 955 120 100 LEU HB3 H 1.401 0.001 1 956 120 100 LEU HD1 H 0.992 0.011 1 957 120 100 LEU HD2 H 0.561 0.011 1 958 120 100 LEU HG H 1.956 0.000 1 959 120 100 LEU CA C 56.084 0.015 1 960 120 100 LEU CB C 38.481 0.001 1 961 120 100 LEU CD1 C 23.585 0.000 1 962 120 100 LEU CD2 C 20.583 0.025 1 963 120 100 LEU CG C 24.171 0.000 1 964 120 100 LEU N N 119.456 0.026 1 965 121 101 ASN H H 8.734 0.003 1 966 121 101 ASN HA H 4.524 0.004 1 967 121 101 ASN HB2 H 3.095 0.005 1 968 121 101 ASN HB3 H 2.792 0.006 1 969 121 101 ASN HD21 H 7.530 0.000 1 970 121 101 ASN HD22 H 6.857 0.000 1 971 121 101 ASN CA C 52.820 0.014 1 972 121 101 ASN CB C 34.809 0.014 1 973 121 101 ASN N N 117.897 0.035 1 974 121 101 ASN ND2 N 110.083 0.008 1 975 122 102 ALA H H 8.434 0.002 1 976 122 102 ALA HA H 4.149 0.003 1 977 122 102 ALA HB H 1.579 0.008 1 978 122 102 ALA CA C 52.718 0.000 1 979 122 102 ALA CB C 16.323 0.031 1 980 122 102 ALA N N 125.223 0.041 1 981 123 103 MET H H 8.088 0.003 1 982 123 103 MET HA H 4.090 0.005 1 983 123 103 MET HB2 H 1.504 0.000 2 984 123 103 MET HE H 0.129 0.003 1 985 123 103 MET HG2 H 1.961 0.001 1 986 123 103 MET HG3 H 1.844 0.000 1 987 123 103 MET CA C 58.278 0.005 1 988 123 103 MET CB C 30.926 0.000 1 989 123 103 MET CE C 12.863 0.027 1 990 123 103 MET CG C 30.735 0.002 1 991 123 103 MET N N 118.186 0.041 1 992 124 104 ASP H H 8.007 0.000 1 993 124 104 ASP HA H 4.653 0.000 1 994 124 104 ASP HB2 H 3.000 0.000 2 995 124 104 ASP CA C 54.346 0.034 1 996 124 104 ASP CB C 39.175 0.000 1 997 124 104 ASP N N 120.562 0.000 1 998 125 105 GLU H H 7.963 0.000 1 999 125 105 GLU HA H 4.121 0.006 1 1000 125 105 GLU HB2 H 2.412 0.000 1 1001 125 105 GLU HB3 H 2.202 0.001 1 1002 125 105 GLU HG2 H 2.397 0.004 1 1003 125 105 GLU HG3 H 2.364 0.000 1 1004 125 105 GLU CA C 56.765 0.000 1 1005 125 105 GLU CB C 26.353 0.010 1 1006 125 105 GLU CG C 32.772 0.043 1 1007 125 105 GLU N N 120.393 0.000 1 1008 126 106 ILE H H 7.910 0.002 1 1009 126 106 ILE HA H 4.622 0.010 1 1010 126 106 ILE HB H 2.219 0.005 1 1011 126 106 ILE HD1 H 1.099 0.009 1 1012 126 106 ILE HG12 H 1.841 0.003 1 1013 126 106 ILE HG13 H 1.590 0.004 1 1014 126 106 ILE HG2 H 1.299 0.004 1 1015 126 106 ILE CA C 57.270 0.000 1 1016 126 106 ILE CB C 37.404 0.028 1 1017 126 106 ILE CD1 C 12.294 0.011 1 1018 126 106 ILE CG1 C 27.117 0.007 1 1019 126 106 ILE CG2 C 16.172 0.024 1 1020 126 106 ILE N N 113.905 0.044 1 1021 127 107 GLY H H 7.990 0.004 1 1022 127 107 GLY HA2 H 4.353 0.003 1 1023 127 107 GLY HA3 H 3.955 0.009 1 1024 127 107 GLY CA C 43.129 0.001 1 1025 127 107 GLY N N 111.969 0.036 1 1026 128 108 LEU H H 7.427 0.004 1 1027 128 108 LEU HA H 3.482 0.008 1 1028 128 108 LEU HB2 H 1.788 0.013 1 1029 128 108 LEU HB3 H 0.829 0.009 1 1030 128 108 LEU HD1 H 0.533 0.004 1 1031 128 108 LEU HD2 H 0.940 0.003 1 1032 128 108 LEU HG H 1.879 0.000 1 1033 128 108 LEU CA C 50.843 0.013 1 1034 128 108 LEU CB C 39.359 0.002 1 1035 128 108 LEU CD1 C 23.234 0.034 1 1036 128 108 LEU CD2 C 25.792 0.030 1 1037 128 108 LEU CG C 23.486 0.000 1 1038 128 108 LEU N N 123.275 0.037 1 1039 129 109 PRO HA H 4.294 0.002 1 1040 129 109 PRO HB2 H 2.540 0.005 1 1041 129 109 PRO HB3 H 1.869 0.012 1 1042 129 109 PRO HD2 H 3.947 0.002 1 1043 129 109 PRO HD3 H 3.335 0.005 1 1044 129 109 PRO HG2 H 2.170 0.009 2 1045 129 109 PRO CA C 61.861 0.000 1 1046 129 109 PRO CB C 30.059 0.028 1 1047 129 109 PRO CD C 48.565 0.028 1 1048 129 109 PRO CG C 25.886 0.000 1 1049 130 110 LYS H H 7.971 0.005 1 1050 130 110 LYS HA H 2.507 0.012 1 1051 130 110 LYS HB2 H 1.447 0.002 2 1052 130 110 LYS HD2 H 1.485 0.006 2 1053 130 110 LYS HE2 H 2.980 0.013 2 1054 130 110 LYS HG2 H 1.270 0.000 1 1055 130 110 LYS HG3 H 1.144 0.006 1 1056 130 110 LYS CA C 55.246 0.011 1 1057 130 110 LYS CB C 29.199 0.000 1 1058 130 110 LYS CD C 26.214 0.039 1 1059 130 110 LYS CE C 39.364 0.012 1 1060 130 110 LYS CG C 22.286 0.002 1 1061 130 110 LYS N N 121.992 0.028 1 1062 131 111 ILE H H 7.564 0.002 1 1063 131 111 ILE HA H 3.955 0.002 1 1064 131 111 ILE HB H 1.661 0.002 1 1065 131 111 ILE HD1 H 0.625 0.005 1 1066 131 111 ILE HG12 H 1.018 0.008 1 1067 131 111 ILE HG13 H 0.878 0.007 1 1068 131 111 ILE HG2 H 0.216 0.005 1 1069 131 111 ILE CA C 59.701 0.000 1 1070 131 111 ILE CB C 35.097 0.000 1 1071 131 111 ILE CD1 C 11.334 0.000 1 1072 131 111 ILE CG1 C 25.186 0.001 1 1073 131 111 ILE CG2 C 14.198 0.050 1 1074 131 111 ILE N N 118.138 0.030 1 1075 132 112 PHE H H 7.211 0.004 1 1076 132 112 PHE HA H 4.489 0.007 1 1077 132 112 PHE HB2 H 3.446 0.004 1 1078 132 112 PHE HB3 H 2.859 0.006 1 1079 132 112 PHE HD1 H 7.303 0.004 3 1080 132 112 PHE HE1 H 7.021 0.009 3 1081 132 112 PHE CA C 57.434 0.012 1 1082 132 112 PHE CB C 38.305 0.010 1 1083 132 112 PHE CD1 C 129.774 0.031 1 1084 132 112 PHE CE1 C 128.532 0.000 1 1085 132 112 PHE N N 117.168 0.029 1 1086 133 113 TYR H H 7.929 0.002 1 1087 133 113 TYR HA H 4.880 0.004 1 1088 133 113 TYR HB2 H 3.209 0.004 1 1089 133 113 TYR HB3 H 3.143 0.006 1 1090 133 113 TYR HD1 H 7.017 0.006 3 1091 133 113 TYR HE1 H 6.597 0.009 3 1092 133 113 TYR CA C 52.864 0.005 1 1093 133 113 TYR CB C 32.696 0.012 1 1094 133 113 TYR CD1 C 128.535 0.035 1 1095 133 113 TYR CE1 C 117.034 0.031 1 1096 133 113 TYR N N 118.675 0.010 1 1097 134 114 PRO HA H 4.960 0.004 1 1098 134 114 PRO HB2 H 2.510 0.000 1 1099 134 114 PRO HB3 H 2.278 0.000 1 1100 134 114 PRO HD2 H 4.363 0.011 1 1101 134 114 PRO HD3 H 3.625 0.006 1 1102 134 114 PRO HG2 H 2.274 0.004 2 1103 134 114 PRO CA C 58.699 0.023 1 1104 134 114 PRO CB C 29.669 0.004 1 1105 134 114 PRO CD C 47.249 0.011 1 1106 134 114 PRO CG C 25.834 0.000 1 1107 135 115 GLU H H 8.950 0.006 1 1108 135 115 GLU HA H 4.745 0.010 1 1109 135 115 GLU HB2 H 2.379 0.000 1 1110 135 115 GLU HB3 H 1.880 0.006 1 1111 135 115 GLU HG2 H 2.512 0.000 1 1112 135 115 GLU HG3 H 2.449 0.000 1 1113 135 115 GLU CA C 52.261 0.000 1 1114 135 115 GLU CB C 29.125 0.001 1 1115 135 115 GLU CG C 34.174 0.004 1 1116 135 115 GLU N N 117.255 0.038 1 1117 136 116 THR H H 9.115 0.006 1 1118 136 116 THR HA H 4.010 0.004 1 1119 136 116 THR HB H 4.270 0.004 1 1120 136 116 THR HG2 H 1.352 0.007 1 1121 136 116 THR CA C 64.915 0.000 1 1122 136 116 THR CB C 65.049 0.028 1 1123 136 116 THR CG2 C 20.122 0.019 1 1124 136 116 THR N N 117.199 0.035 1 1125 137 117 THR HA H 4.303 0.015 1 1126 137 117 THR HB H 4.505 0.000 1 1127 137 117 THR HG2 H 1.434 0.009 1 1128 137 117 THR CA C 61.864 0.026 1 1129 137 117 THR CB C 66.113 0.000 1 1130 137 117 THR CG2 C 19.314 0.000 1 1131 138 118 ASP H H 7.405 0.002 1 1132 138 118 ASP HA H 4.357 0.015 1 1133 138 118 ASP HB2 H 3.330 0.003 1 1134 138 118 ASP HB3 H 2.874 0.012 1 1135 138 118 ASP CA C 54.769 0.000 1 1136 138 118 ASP CB C 38.177 0.000 1 1137 138 118 ASP N N 121.986 0.033 1 1138 139 119 ILE H H 7.022 0.002 1 1139 139 119 ILE HA H 4.216 0.004 1 1140 139 119 ILE HB H 1.910 0.012 1 1141 139 119 ILE HD1 H 1.250 0.013 1 1142 139 119 ILE HG12 H 1.778 0.000 1 1143 139 119 ILE HG13 H 1.322 0.000 1 1144 139 119 ILE HG2 H 1.029 0.004 1 1145 139 119 ILE CA C 59.624 0.000 1 1146 139 119 ILE CB C 38.893 0.000 1 1147 139 119 ILE CD1 C 14.291 0.016 1 1148 139 119 ILE CG1 C 26.571 0.003 1 1149 139 119 ILE CG2 C 16.328 0.017 1 1150 139 119 ILE N N 114.537 0.035 1 1151 140 120 TYR H H 8.612 0.003 1 1152 140 120 TYR HA H 4.578 0.015 1 1153 140 120 TYR HB2 H 3.143 0.009 1 1154 140 120 TYR HB3 H 2.802 0.006 1 1155 140 120 TYR HD1 H 7.251 0.006 3 1156 140 120 TYR HE1 H 6.989 0.005 3 1157 140 120 TYR CA C 59.420 0.014 1 1158 140 120 TYR CB C 37.192 0.024 1 1159 140 120 TYR CD1 C 131.459 0.024 1 1160 140 120 TYR CE1 C 116.452 0.018 1 1161 140 120 TYR N N 119.926 0.031 1 1162 141 121 ASP H H 7.400 0.003 1 1163 141 121 ASP HA H 4.867 0.003 1 1164 141 121 ASP HB2 H 3.137 0.000 1 1165 141 121 ASP HB3 H 2.978 0.006 1 1166 141 121 ASP CA C 52.149 0.000 1 1167 141 121 ASP CB C 39.178 0.007 1 1168 141 121 ASP N N 114.059 0.038 1 1169 142 122 ARG H H 7.669 0.005 1 1170 142 122 ARG HA H 3.780 0.017 1 1171 142 122 ARG HB2 H 2.256 0.000 1 1172 142 122 ARG HB3 H 1.282 0.008 1 1173 142 122 ARG HD2 H 3.221 0.000 1 1174 142 122 ARG HD3 H 3.037 0.000 1 1175 142 122 ARG HG2 H 1.850 0.000 1 1176 142 122 ARG HG3 H 1.546 0.001 1 1177 142 122 ARG CA C 53.913 0.000 1 1178 142 122 ARG CB C 28.162 0.011 1 1179 142 122 ARG CD C 42.017 0.002 1 1180 142 122 ARG CG C 26.973 0.000 1 1181 142 122 ARG N N 118.548 0.047 1 1182 143 123 LYS H H 7.185 0.005 1 1183 143 123 LYS HA H 4.156 0.002 1 1184 143 123 LYS HB2 H 1.957 0.000 1 1185 143 123 LYS HB3 H 1.827 0.000 1 1186 143 123 LYS HD2 H 1.749 0.000 2 1187 143 123 LYS HE2 H 3.101 0.000 2 1188 143 123 LYS HG2 H 1.605 0.001 1 1189 143 123 LYS HG3 H 1.479 0.000 1 1190 143 123 LYS CA C 55.241 0.000 1 1191 143 123 LYS CB C 30.278 0.004 1 1192 143 123 LYS CD C 26.388 0.000 1 1193 143 123 LYS CE C 39.324 0.000 1 1194 143 123 LYS CG C 22.886 0.000 1 1195 143 123 LYS N N 115.997 0.036 1 1196 144 124 ASN H H 8.618 0.002 1 1197 144 124 ASN HA H 4.653 0.008 1 1198 144 124 ASN HB2 H 3.006 0.000 1 1199 144 124 ASN HB3 H 2.702 0.001 1 1200 144 124 ASN HD21 H 7.662 0.000 1 1201 144 124 ASN HD22 H 6.556 0.000 1 1202 144 124 ASN CA C 49.488 0.009 1 1203 144 124 ASN CB C 33.950 0.007 1 1204 144 124 ASN N N 115.305 0.033 1 1205 144 124 ASN ND2 N 108.949 0.033 1 1206 145 125 MET H H 9.416 0.004 1 1207 145 125 MET HA H 4.846 0.007 1 1208 145 125 MET HB2 H 2.377 0.009 1 1209 145 125 MET HB3 H 2.046 0.000 1 1210 145 125 MET HE H 2.327 0.015 1 1211 145 125 MET HG2 H 2.718 0.023 1 1212 145 125 MET HG3 H 2.686 0.008 1 1213 145 125 MET CA C 54.129 0.000 1 1214 145 125 MET CB C 25.499 0.007 1 1215 145 125 MET CE C 15.278 0.012 1 1216 145 125 MET CG C 30.941 0.001 1 1217 145 125 MET N N 124.365 0.032 1 1218 146 126 PRO HA H 4.741 0.012 1 1219 146 126 PRO HB2 H 2.058 0.015 1 1220 146 126 PRO HB3 H 1.833 0.000 1 1221 146 126 PRO HD2 H 3.903 0.015 1 1222 146 126 PRO HD3 H 3.703 0.005 1 1223 146 126 PRO CA C 64.386 0.020 1 1224 146 126 PRO CB C 27.942 0.000 1 1225 146 126 PRO CD C 19.909 0.001 1 1226 147 127 ARG H H 7.462 0.003 1 1227 147 127 ARG HA H 4.004 0.006 1 1228 147 127 ARG HB2 H 2.081 0.006 1 1229 147 127 ARG HB3 H 1.895 0.003 1 1230 147 127 ARG HD2 H 3.400 0.007 1 1231 147 127 ARG HD3 H 3.263 0.006 1 1232 147 127 ARG HG2 H 1.863 0.000 1 1233 147 127 ARG HG3 H 1.596 0.008 1 1234 147 127 ARG CA C 56.957 0.000 1 1235 147 127 ARG CB C 27.578 0.002 1 1236 147 127 ARG CD C 41.099 0.015 1 1237 147 127 ARG CG C 25.123 0.017 1 1238 147 127 ARG N N 115.982 0.039 1 1239 148 128 CYS H H 7.946 0.002 1 1240 148 128 CYS HA H 4.322 0.008 1 1241 148 128 CYS HB2 H 3.832 0.005 1 1242 148 128 CYS HB3 H 2.846 0.006 1 1243 148 128 CYS CA C 60.106 0.000 1 1244 148 128 CYS CB C 24.200 0.015 1 1245 148 128 CYS N N 120.112 0.032 1 1246 149 129 ILE H H 8.452 0.006 1 1247 149 129 ILE HA H 3.943 0.007 1 1248 149 129 ILE HB H 2.820 0.009 1 1249 149 129 ILE HD1 H 0.669 0.009 1 1250 149 129 ILE HG12 H 2.190 0.020 1 1251 149 129 ILE HG13 H 1.818 0.010 1 1252 149 129 ILE HG2 H 1.133 0.006 1 1253 149 129 ILE CA C 60.216 0.040 1 1254 149 129 ILE CB C 32.624 0.022 1 1255 149 129 ILE CD1 C 5.333 0.032 1 1256 149 129 ILE CG1 C 23.696 0.037 1 1257 149 129 ILE CG2 C 14.797 0.000 1 1258 149 129 ILE N N 119.168 0.004 1 1259 150 130 TYR H H 9.024 0.004 1 1260 150 130 TYR HA H 3.779 0.014 1 1261 150 130 TYR HB2 H 3.167 0.014 1 1262 150 130 TYR HB3 H 2.549 0.011 1 1263 150 130 TYR HD1 H 6.390 0.008 3 1264 150 130 TYR HE1 H 6.557 0.009 3 1265 150 130 TYR CA C 58.638 0.043 1 1266 150 130 TYR CB C 36.117 0.007 1 1267 150 130 TYR CD1 C 130.735 0.014 1 1268 150 130 TYR CE1 C 115.771 0.030 1 1269 150 130 TYR N N 122.491 0.050 1 1270 151 131 CYS H H 8.108 0.006 1 1271 151 131 CYS HA H 3.966 0.005 1 1272 151 131 CYS HB2 H 3.712 0.006 1 1273 151 131 CYS HB3 H 3.667 0.015 1 1274 151 131 CYS CA C 60.685 0.029 1 1275 151 131 CYS CB C 23.883 0.009 1 1276 151 131 CYS N N 119.176 0.000 1 1277 152 132 ILE H H 8.835 0.003 1 1278 152 132 ILE HA H 3.820 0.005 1 1279 152 132 ILE HB H 2.487 0.007 1 1280 152 132 ILE HD1 H 1.015 0.004 1 1281 152 132 ILE HG12 H 2.216 0.008 1 1282 152 132 ILE HG13 H 1.237 0.002 1 1283 152 132 ILE HG2 H 1.128 0.004 1 1284 152 132 ILE CA C 63.325 0.018 1 1285 152 132 ILE CB C 34.885 0.000 1 1286 152 132 ILE CD1 C 11.311 0.019 1 1287 152 132 ILE CG1 C 26.982 0.010 1 1288 152 132 ILE CG2 C 14.918 0.035 1 1289 152 132 ILE N N 120.028 0.042 1 1290 153 133 HIS H H 8.542 0.002 1 1291 153 133 HIS HA H 3.675 0.003 1 1292 153 133 HIS HB2 H 3.351 0.010 1 1293 153 133 HIS HB3 H 2.857 0.003 1 1294 153 133 HIS HD2 H 7.374 0.009 1 1295 153 133 HIS HE1 H 8.648 0.008 1 1296 153 133 HIS CA C 58.709 0.014 1 1297 153 133 HIS CB C 29.261 0.019 1 1298 153 133 HIS CD2 C 112.715 0.043 1 1299 153 133 HIS CE1 C 134.762 0.000 1 1300 153 133 HIS N N 119.912 0.034 1 1301 154 134 ALA H H 8.065 0.003 1 1302 154 134 ALA HA H 3.550 0.003 1 1303 154 134 ALA HB H 0.251 0.006 1 1304 154 134 ALA CA C 52.798 0.014 1 1305 154 134 ALA CB C 14.029 0.036 1 1306 154 134 ALA N N 124.044 0.024 1 1307 155 135 LEU H H 9.071 0.002 1 1308 155 135 LEU HA H 3.939 0.005 1 1309 155 135 LEU HB2 H 2.295 0.009 1 1310 155 135 LEU HB3 H 1.676 0.001 1 1311 155 135 LEU HD1 H 0.629 0.010 1 1312 155 135 LEU HD2 H 1.434 0.008 1 1313 155 135 LEU CA C 54.821 0.040 1 1314 155 135 LEU CB C 39.191 0.022 1 1315 155 135 LEU CD1 C 19.803 0.012 1 1316 155 135 LEU CD2 C 24.152 0.020 1 1317 155 135 LEU N N 118.241 0.034 1 1318 156 136 SER H H 8.264 0.002 1 1319 156 136 SER HA H 3.668 0.006 1 1320 156 136 SER HB2 H 2.258 0.007 1 1321 156 136 SER HB3 H 1.771 0.009 1 1322 156 136 SER CA C 59.142 0.044 1 1323 156 136 SER CB C 57.997 0.020 1 1324 156 136 SER N N 114.595 0.044 1 1325 157 137 LEU H H 7.306 0.002 1 1326 157 137 LEU HA H 4.218 0.004 1 1327 157 137 LEU HB2 H 1.678 0.005 2 1328 157 137 LEU HD1 H 1.015 0.001 1 1329 157 137 LEU HD2 H 0.994 0.006 1 1330 157 137 LEU HG H 1.685 0.000 1 1331 157 137 LEU CA C 55.592 0.000 1 1332 157 137 LEU CB C 39.002 0.038 1 1333 157 137 LEU CD1 C 22.294 0.000 1 1334 157 137 LEU CD2 C 21.009 0.000 1 1335 157 137 LEU CG C 24.864 0.000 1 1336 157 137 LEU N N 125.069 0.037 1 1337 158 138 TYR H H 8.348 0.003 1 1338 158 138 TYR HA H 4.157 0.010 1 1339 158 138 TYR HB2 H 3.043 0.007 1 1340 158 138 TYR HB3 H 2.981 0.005 1 1341 158 138 TYR HD1 H 6.907 0.005 3 1342 158 138 TYR HE1 H 6.806 0.016 3 1343 158 138 TYR CA C 58.781 0.035 1 1344 158 138 TYR CB C 37.740 0.021 1 1345 158 138 TYR CD1 C 129.578 0.003 1 1346 158 138 TYR CE1 C 116.239 0.016 1 1347 158 138 TYR N N 120.991 0.022 1 1348 159 139 LEU H H 9.210 0.002 1 1349 159 139 LEU HA H 3.981 0.005 1 1350 159 139 LEU HB2 H 2.238 0.009 1 1351 159 139 LEU HB3 H 1.484 0.007 1 1352 159 139 LEU HD1 H 0.973 0.008 1 1353 159 139 LEU HD2 H 0.792 0.005 1 1354 159 139 LEU HG H 2.096 0.000 1 1355 159 139 LEU CA C 54.947 0.000 1 1356 159 139 LEU CB C 40.408 0.050 1 1357 159 139 LEU CD1 C 23.529 0.045 1 1358 159 139 LEU CD2 C 20.046 0.066 1 1359 159 139 LEU CG C 24.000 0.000 1 1360 159 139 LEU N N 115.357 0.038 1 1361 160 140 PHE H H 8.717 0.003 1 1362 160 140 PHE HA H 4.919 0.008 1 1363 160 140 PHE HB2 H 3.402 0.007 1 1364 160 140 PHE HB3 H 3.228 0.012 1 1365 160 140 PHE HD1 H 7.537 0.013 3 1366 160 140 PHE CA C 58.522 0.031 1 1367 160 140 PHE CB C 36.413 0.001 1 1368 160 140 PHE CD1 C 129.791 0.034 1 1369 160 140 PHE N N 121.969 0.024 1 1370 161 141 LYS H H 8.250 0.003 1 1371 161 141 LYS HA H 3.794 0.007 1 1372 161 141 LYS HB2 H 2.052 0.006 1 1373 161 141 LYS HB3 H 1.985 0.008 1 1374 161 141 LYS HD2 H 1.822 0.000 1 1375 161 141 LYS HD3 H 1.730 0.011 1 1376 161 141 LYS HE2 H 3.065 0.000 2 1377 161 141 LYS HG2 H 1.779 0.000 1 1378 161 141 LYS HG3 H 1.568 0.005 1 1379 161 141 LYS CA C 56.496 0.000 1 1380 161 141 LYS CB C 29.023 0.059 1 1381 161 141 LYS CD C 26.520 0.001 1 1382 161 141 LYS CE C 39.207 0.000 1 1383 161 141 LYS CG C 22.556 0.004 1 1384 161 141 LYS N N 122.464 0.044 1 1385 162 142 LEU H H 7.361 0.004 1 1386 162 142 LEU HA H 4.224 0.004 1 1387 162 142 LEU HB2 H 1.677 0.001 2 1388 162 142 LEU HD1 H 0.561 0.014 1 1389 162 142 LEU HD2 H 0.793 0.006 1 1390 162 142 LEU HG H 1.495 0.002 1 1391 162 142 LEU CA C 52.598 0.000 1 1392 162 142 LEU CB C 40.765 0.000 1 1393 162 142 LEU CD1 C 22.525 0.029 1 1394 162 142 LEU CD2 C 19.582 0.000 1 1395 162 142 LEU CG C 24.132 0.000 1 1396 162 142 LEU N N 116.896 0.044 1 1397 163 143 GLY H H 7.958 0.003 1 1398 163 143 GLY HA2 H 4.117 0.028 1 1399 163 143 GLY HA3 H 3.970 0.018 1 1400 163 143 GLY CA C 43.134 0.006 1 1401 163 143 GLY N N 108.459 0.044 1 1402 164 144 LEU H H 8.193 0.002 1 1403 164 144 LEU HA H 4.556 0.003 1 1404 164 144 LEU HB2 H 1.819 0.000 1 1405 164 144 LEU HB3 H 1.716 0.000 1 1406 164 144 LEU HD1 H 1.078 0.014 1 1407 164 144 LEU HD2 H 0.984 0.007 1 1408 164 144 LEU HG H 1.618 0.000 1 1409 164 144 LEU CA C 52.216 0.000 1 1410 164 144 LEU CB C 42.086 0.004 1 1411 164 144 LEU CD1 C 23.288 0.012 1 1412 164 144 LEU CD2 C 19.705 0.000 1 1413 164 144 LEU CG C 24.217 0.000 1 1414 164 144 LEU N N 117.480 0.047 1 1415 165 145 ALA H H 7.402 0.002 1 1416 165 145 ALA HA H 5.159 0.003 1 1417 165 145 ALA HB H 1.957 0.003 1 1418 165 145 ALA CA C 47.793 0.000 1 1419 165 145 ALA CB C 20.460 0.015 1 1420 165 145 ALA N N 118.208 0.026 1 1421 166 146 PRO HA H 4.922 0.011 1 1422 166 146 PRO HB2 H 2.502 0.006 1 1423 166 146 PRO HB3 H 2.058 0.015 1 1424 166 146 PRO HD2 H 3.833 0.009 1 1425 166 146 PRO HD3 H 3.742 0.004 1 1426 166 146 PRO HG2 H 2.004 0.000 1 1427 166 146 PRO HG3 H 1.862 0.000 1 1428 166 146 PRO CA C 59.299 0.000 1 1429 166 146 PRO CB C 30.132 0.009 1 1430 166 146 PRO CD C 48.063 0.022 1 1431 166 146 PRO CG C 24.263 0.004 1 1432 167 147 GLN H H 8.300 0.001 1 1433 167 147 GLN HA H 3.826 0.004 1 1434 167 147 GLN HB2 H 1.293 0.001 1 1435 167 147 GLN HB3 H 0.852 0.006 1 1436 167 147 GLN HE21 H 6.955 0.000 1 1437 167 147 GLN HE22 H 6.589 0.000 1 1438 167 147 GLN HG2 H 2.304 0.000 1 1439 167 147 GLN HG3 H 1.530 0.004 1 1440 167 147 GLN CA C 52.710 0.000 1 1441 167 147 GLN CB C 26.311 0.026 1 1442 167 147 GLN CG C 30.694 0.031 1 1443 167 147 GLN N N 119.256 0.029 1 1444 167 147 GLN NE2 N 110.257 0.005 1 1445 168 148 ILE H H 8.379 0.001 1 1446 168 148 ILE HA H 3.992 0.004 1 1447 168 148 ILE HB H 1.246 0.000 1 1448 168 148 ILE HD1 H -0.168 0.006 1 1449 168 148 ILE HG12 H 1.397 0.003 1 1450 168 148 ILE HG13 H 1.193 0.008 1 1451 168 148 ILE HG2 H 0.599 0.006 1 1452 168 148 ILE CA C 59.968 0.038 1 1453 168 148 ILE CB C 35.829 0.000 1 1454 168 148 ILE CD1 C 9.389 0.023 1 1455 168 148 ILE CG1 C 28.057 0.022 1 1456 168 148 ILE CG2 C 13.710 0.003 1 1457 168 148 ILE N N 129.099 0.042 1 1458 169 149 GLN H H 8.487 0.005 1 1459 169 149 GLN HA H 4.281 0.009 1 1460 169 149 GLN HB2 H 2.011 0.000 1 1461 169 149 GLN HB3 H 1.936 0.005 1 1462 169 149 GLN HE21 H 7.375 0.000 1 1463 169 149 GLN HE22 H 6.936 0.000 1 1464 169 149 GLN HG2 H 2.463 0.000 1 1465 169 149 GLN HG3 H 2.367 0.000 1 1466 169 149 GLN CA C 52.792 0.000 1 1467 169 149 GLN CB C 27.956 0.000 1 1468 169 149 GLN CG C 32.206 0.006 1 1469 169 149 GLN N N 125.576 0.033 1 1470 169 149 GLN NE2 N 111.536 0.013 1 1471 170 150 ASP H H 8.144 0.004 1 1472 170 150 ASP HA H 4.838 0.002 1 1473 170 150 ASP HB2 H 2.874 0.009 1 1474 170 150 ASP HB3 H 2.648 0.000 1 1475 170 150 ASP CA C 50.328 0.000 1 1476 170 150 ASP CB C 38.764 0.005 1 1477 170 150 ASP N N 119.720 0.049 1 1478 171 151 LEU H H 10.842 0.003 1 1479 171 151 LEU HA H 4.580 0.006 1 1480 171 151 LEU HB2 H 1.868 0.000 1 1481 171 151 LEU HB3 H 1.657 0.000 1 1482 171 151 LEU HD1 H 0.859 0.002 1 1483 171 151 LEU HD2 H 0.887 0.003 1 1484 171 151 LEU HG H 1.652 0.000 1 1485 171 151 LEU CA C 50.669 0.000 1 1486 171 151 LEU CB C 39.984 0.001 1 1487 171 151 LEU CD1 C 22.894 0.000 1 1488 171 151 LEU CD2 C 19.347 0.000 1 1489 171 151 LEU CG C 23.880 0.000 1 1490 171 151 LEU N N 125.277 0.026 1 1491 172 152 TYR H H 8.068 0.004 1 1492 172 152 TYR HA H 4.628 0.007 1 1493 172 152 TYR HB2 H 3.198 0.006 2 1494 172 152 TYR HD1 H 7.148 0.014 3 1495 172 152 TYR HE1 H 6.989 0.007 3 1496 172 152 TYR CA C 57.817 0.000 1 1497 172 152 TYR CB C 34.811 0.000 1 1498 172 152 TYR CD1 C 130.867 0.016 1 1499 172 152 TYR N N 123.344 0.049 1 1500 173 153 GLY H H 7.553 0.003 1 1501 173 153 GLY HA2 H 4.227 0.012 1 1502 173 153 GLY HA3 H 3.861 0.005 1 1503 173 153 GLY CA C 43.237 0.051 1 1504 173 153 GLY N N 117.580 0.044 1 1505 174 154 LYS H H 8.489 0.004 1 1506 174 154 LYS HA H 4.550 0.008 1 1507 174 154 LYS HB2 H 2.123 0.002 1 1508 174 154 LYS HB3 H 1.608 0.005 1 1509 174 154 LYS HD2 H 1.768 0.000 2 1510 174 154 LYS HE2 H 3.083 0.000 2 1511 174 154 LYS HG2 H 1.349 0.004 2 1512 174 154 LYS CA C 53.383 0.020 1 1513 174 154 LYS CB C 31.286 0.011 1 1514 174 154 LYS CD C 26.436 0.000 1 1515 174 154 LYS CE C 39.705 0.000 1 1516 174 154 LYS CG C 22.416 0.000 1 1517 174 154 LYS N N 118.392 0.025 1 1518 175 155 VAL H H 7.138 0.004 1 1519 175 155 VAL HA H 4.411 0.001 1 1520 175 155 VAL HB H 1.951 0.011 1 1521 175 155 VAL HG1 H 0.866 0.006 1 1522 175 155 VAL HG2 H 0.907 0.007 1 1523 175 155 VAL CA C 56.897 0.000 1 1524 175 155 VAL CB C 31.848 0.000 1 1525 175 155 VAL CG1 C 19.846 0.002 1 1526 175 155 VAL CG2 C 18.528 0.046 1 1527 175 155 VAL N N 114.185 0.036 1 1528 176 156 ASP H H 8.414 0.007 1 1529 176 156 ASP HA H 5.096 0.003 1 1530 176 156 ASP HB2 H 2.567 0.004 1 1531 176 156 ASP HB3 H 2.393 0.000 1 1532 176 156 ASP CA C 50.721 0.017 1 1533 176 156 ASP CB C 40.692 0.000 1 1534 176 156 ASP N N 125.665 0.039 1 1535 177 157 PHE H H 8.166 0.005 1 1536 177 157 PHE HA H 4.966 0.005 1 1537 177 157 PHE HB2 H 3.595 0.004 1 1538 177 157 PHE HB3 H 2.556 0.010 1 1539 177 157 PHE HD1 H 7.365 0.005 3 1540 177 157 PHE HE1 H 7.212 0.012 3 1541 177 157 PHE CA C 54.595 0.000 1 1542 177 157 PHE CB C 40.691 0.026 1 1543 177 157 PHE CD1 C 129.261 0.000 1 1544 177 157 PHE CE1 C 129.339 0.035 1 1545 177 157 PHE N N 118.200 0.001 1 1546 178 158 THR H H 9.654 0.005 1 1547 178 158 THR HA H 4.466 0.000 1 1548 178 158 THR HB H 4.885 0.007 1 1549 178 158 THR HG2 H 1.444 0.001 1 1550 178 158 THR CA C 58.605 0.054 1 1551 178 158 THR CB C 68.347 0.014 1 1552 178 158 THR CG2 C 19.328 0.000 1 1553 178 158 THR N N 113.776 0.041 1 1554 179 159 GLU H H 9.000 0.003 1 1555 179 159 GLU HA H 4.039 0.008 1 1556 179 159 GLU HB2 H 2.147 0.016 2 1557 179 159 GLU HG2 H 2.426 0.012 1 1558 179 159 GLU HG3 H 2.387 0.005 1 1559 179 159 GLU CA C 57.477 0.027 1 1560 179 159 GLU CB C 26.821 0.000 1 1561 179 159 GLU CG C 34.019 0.000 1 1562 179 159 GLU N N 120.830 0.037 1 1563 180 160 GLU H H 8.490 0.007 1 1564 180 160 GLU HA H 4.182 0.009 1 1565 180 160 GLU HB2 H 2.074 0.000 2 1566 180 160 GLU CA C 57.260 0.000 1 1567 180 160 GLU CB C 26.944 0.000 1 1568 180 160 GLU N N 118.429 0.032 1 1569 181 161 GLU HA H 4.082 0.010 1 1570 181 161 GLU HB2 H 2.769 0.004 1 1571 181 161 GLU HB3 H 1.885 0.000 1 1572 181 161 GLU HG2 H 2.619 0.002 1 1573 181 161 GLU HG3 H 2.503 0.000 1 1574 181 161 GLU CA C 56.915 0.002 1 1575 181 161 GLU CB C 27.081 0.026 1 1576 181 161 GLU CG C 35.330 0.008 1 1577 182 162 ILE H H 8.617 0.003 1 1578 182 162 ILE HA H 3.565 0.003 1 1579 182 162 ILE HB H 1.981 0.002 1 1580 182 162 ILE HD1 H 1.020 0.011 1 1581 182 162 ILE HG12 H 1.996 0.004 1 1582 182 162 ILE HG13 H 0.923 0.004 1 1583 182 162 ILE HG2 H 1.109 0.009 1 1584 182 162 ILE CA C 63.101 0.027 1 1585 182 162 ILE CB C 35.834 0.000 1 1586 182 162 ILE CD1 C 11.246 0.045 1 1587 182 162 ILE CG1 C 27.667 0.021 1 1588 182 162 ILE CG2 C 15.704 0.041 1 1589 182 162 ILE N N 121.088 0.035 1 1590 183 163 ASN H H 8.897 0.002 1 1591 183 163 ASN HA H 4.596 0.006 1 1592 183 163 ASN HB2 H 3.021 0.010 1 1593 183 163 ASN HB3 H 2.948 0.009 1 1594 183 163 ASN HD21 H 7.729 0.004 1 1595 183 163 ASN HD22 H 7.051 0.000 1 1596 183 163 ASN CA C 53.776 0.000 1 1597 183 163 ASN CB C 35.368 0.046 1 1598 183 163 ASN N N 119.209 0.035 1 1599 183 163 ASN ND2 N 112.550 0.011 1 1600 184 164 ASN H H 8.915 0.003 1 1601 184 164 ASN HA H 4.640 0.008 1 1602 184 164 ASN HB2 H 3.123 0.008 1 1603 184 164 ASN HB3 H 3.040 0.007 1 1604 184 164 ASN HD21 H 7.848 0.005 1 1605 184 164 ASN HD22 H 7.107 0.003 1 1606 184 164 ASN CA C 53.492 0.000 1 1607 184 164 ASN CB C 35.072 0.001 1 1608 184 164 ASN N N 120.418 0.039 1 1609 184 164 ASN ND2 N 111.979 0.010 1 1610 185 165 MET H H 7.950 0.005 1 1611 185 165 MET HA H 4.915 0.010 1 1612 185 165 MET HB2 H 2.414 0.015 1 1613 185 165 MET HB3 H 2.175 0.007 1 1614 185 165 MET HE H 2.157 0.003 1 1615 185 165 MET HG2 H 2.887 0.005 1 1616 185 165 MET HG3 H 2.560 0.004 1 1617 185 165 MET CA C 54.286 0.000 1 1618 185 165 MET CB C 28.213 0.053 1 1619 185 165 MET CE C 15.353 0.029 1 1620 185 165 MET CG C 29.971 0.037 1 1621 185 165 MET N N 120.458 0.000 1 1622 186 166 LYS H H 8.896 0.002 1 1623 186 166 LYS HA H 4.000 0.005 1 1624 186 166 LYS HB2 H 2.286 0.001 1 1625 186 166 LYS HB3 H 1.974 0.004 1 1626 186 166 LYS HD2 H 1.811 0.000 1 1627 186 166 LYS HD3 H 1.724 0.003 1 1628 186 166 LYS HE2 H 3.078 0.010 2 1629 186 166 LYS HG2 H 1.621 0.008 1 1630 186 166 LYS HG3 H 1.501 0.000 1 1631 186 166 LYS CA C 57.776 0.012 1 1632 186 166 LYS CB C 29.841 0.007 1 1633 186 166 LYS CD C 27.165 0.035 1 1634 186 166 LYS CE C 38.945 0.000 1 1635 186 166 LYS CG C 21.912 0.001 1 1636 186 166 LYS N N 121.986 0.027 1 1637 187 167 THR H H 8.315 0.007 1 1638 187 167 THR HA H 4.092 0.004 1 1639 187 167 THR HB H 4.536 0.003 1 1640 187 167 THR HG2 H 1.394 0.004 1 1641 187 167 THR CA C 63.901 0.019 1 1642 187 167 THR CB C 66.182 0.000 1 1643 187 167 THR CG2 C 19.204 0.000 1 1644 187 167 THR N N 115.292 0.020 1 1645 188 168 GLU H H 8.135 0.002 1 1646 188 168 GLU HA H 4.263 0.005 1 1647 188 168 GLU HB2 H 2.472 0.001 1 1648 188 168 GLU HB3 H 2.381 0.001 1 1649 188 168 GLU HG2 H 2.571 0.008 2 1650 188 168 GLU CA C 57.241 0.000 1 1651 188 168 GLU CB C 27.188 0.024 1 1652 188 168 GLU CG C 33.600 0.015 1 1653 188 168 GLU N N 123.543 0.020 1 1654 189 169 LEU H H 8.753 0.002 1 1655 189 169 LEU HA H 4.199 0.008 1 1656 189 169 LEU HB2 H 2.133 0.000 1 1657 189 169 LEU HB3 H 1.473 0.000 1 1658 189 169 LEU HD1 H 0.873 0.010 1 1659 189 169 LEU HD2 H 0.735 0.009 1 1660 189 169 LEU HG H 2.053 0.000 1 1661 189 169 LEU CA C 55.496 0.000 1 1662 189 169 LEU CB C 38.841 0.009 1 1663 189 169 LEU CD1 C 23.046 0.000 1 1664 189 169 LEU CD2 C 19.975 0.033 1 1665 189 169 LEU CG C 24.190 0.000 1 1666 189 169 LEU N N 118.432 0.034 1 1667 190 170 GLU H H 7.925 0.004 1 1668 190 170 GLU HA H 4.189 0.003 1 1669 190 170 GLU HB2 H 2.220 0.013 2 1670 190 170 GLU HG2 H 2.572 0.008 1 1671 190 170 GLU HG3 H 2.367 0.000 1 1672 190 170 GLU CA C 56.219 0.000 1 1673 190 170 GLU CB C 27.000 0.000 1 1674 190 170 GLU CG C 34.025 0.001 1 1675 190 170 GLU N N 118.555 0.041 1 1676 191 171 LYS H H 8.241 0.003 1 1677 191 171 LYS HA H 4.019 0.003 1 1678 191 171 LYS HB2 H 1.924 0.011 1 1679 191 171 LYS HB3 H 1.825 0.009 1 1680 191 171 LYS HD2 H 1.636 0.002 2 1681 191 171 LYS HE2 H 2.892 0.000 1 1682 191 171 LYS HE3 H 2.851 0.000 1 1683 191 171 LYS HG2 H 1.387 0.007 1 1684 191 171 LYS HG3 H 0.989 0.007 1 1685 191 171 LYS CA C 56.604 0.000 1 1686 191 171 LYS CB C 29.738 0.000 1 1687 191 171 LYS CD C 26.783 0.038 1 1688 191 171 LYS CE C 39.190 0.001 1 1689 191 171 LYS CG C 21.943 0.000 1 1690 191 171 LYS N N 121.644 0.036 1 1691 192 172 TYR H H 7.704 0.002 1 1692 192 172 TYR HA H 4.602 0.004 1 1693 192 172 TYR HB2 H 3.489 0.007 1 1694 192 172 TYR HB3 H 2.867 0.005 1 1695 192 172 TYR HD1 H 7.492 0.006 3 1696 192 172 TYR HE1 H 6.996 0.002 3 1697 192 172 TYR CA C 56.395 0.043 1 1698 192 172 TYR CB C 36.183 0.018 1 1699 192 172 TYR CD1 C 131.202 0.035 1 1700 192 172 TYR CE1 C 115.872 0.000 1 1701 192 172 TYR N N 114.672 0.029 1 1702 193 173 GLY H H 7.913 0.002 1 1703 193 173 GLY HA2 H 4.013 0.001 1 1704 193 173 GLY HA3 H 3.939 0.002 1 1705 193 173 GLY CA C 44.476 0.007 1 1706 193 173 GLY N N 109.358 0.033 1 1707 194 174 ILE H H 7.619 0.006 1 1708 194 174 ILE HA H 4.090 0.004 1 1709 194 174 ILE HB H 1.983 0.003 1 1710 194 174 ILE HD1 H 0.903 0.010 1 1711 194 174 ILE HG12 H 1.518 0.009 1 1712 194 174 ILE HG13 H 1.491 0.008 1 1713 194 174 ILE HG2 H 0.866 0.010 1 1714 194 174 ILE CA C 57.103 0.000 1 1715 194 174 ILE CB C 35.839 0.000 1 1716 194 174 ILE CD1 C 8.996 0.040 1 1717 194 174 ILE CG1 C 24.737 0.019 1 1718 194 174 ILE CG2 C 15.378 0.012 1 1719 194 174 ILE N N 116.480 0.044 1 1720 195 175 GLN H H 8.598 0.005 1 1721 195 175 GLN HA H 4.497 0.001 1 1722 195 175 GLN HB2 H 2.025 0.006 1 1723 195 175 GLN HB3 H 1.982 0.013 1 1724 195 175 GLN HE21 H 7.490 0.000 1 1725 195 175 GLN HE22 H 6.844 0.000 1 1726 195 175 GLN HG2 H 2.382 0.006 1 1727 195 175 GLN HG3 H 2.344 0.000 1 1728 195 175 GLN CA C 51.599 0.000 1 1729 195 175 GLN CB C 26.106 0.000 1 1730 195 175 GLN CG C 30.944 0.000 1 1731 195 175 GLN N N 125.956 0.031 1 1732 195 175 GLN NE2 N 112.626 0.016 1 1733 196 176 MET HA H 4.586 0.005 1 1734 196 176 MET HB2 H 2.228 0.000 1 1735 196 176 MET HB3 H 2.023 0.010 1 1736 196 176 MET HE H 1.669 0.005 1 1737 196 176 MET HG2 H 2.999 0.002 1 1738 196 176 MET HG3 H 2.890 0.003 1 1739 196 176 MET CA C 49.840 0.021 1 1740 196 176 MET CB C 28.615 0.004 1 1741 196 176 MET CE C 13.163 0.025 1 1742 196 176 MET CG C 28.070 0.022 1 1743 197 177 PRO HA H 4.228 0.003 1 1744 197 177 PRO HB2 H 1.242 0.004 1 1745 197 177 PRO HB3 H 0.728 0.005 1 1746 197 177 PRO HD2 H 3.985 0.003 1 1747 197 177 PRO HD3 H 3.731 0.012 1 1748 197 177 PRO HG2 H 1.391 0.000 1 1749 197 177 PRO HG3 H 1.331 0.014 1 1750 197 177 PRO CA C 59.553 0.000 1 1751 197 177 PRO CB C 29.340 0.026 1 1752 197 177 PRO CD C 48.355 0.007 1 1753 197 177 PRO CG C 24.283 0.012 1 1754 198 178 ALA H H 8.107 0.003 1 1755 198 178 ALA HA H 4.798 0.000 1 1756 198 178 ALA HB H 1.410 0.005 1 1757 198 178 ALA CA C 48.099 0.000 1 1758 198 178 ALA CB C 14.573 0.048 1 1759 198 178 ALA N N 121.844 0.016 1 1760 199 179 PHE HA H 4.048 0.006 1 1761 199 179 PHE HB2 H 3.017 0.014 1 1762 199 179 PHE HB3 H 2.700 0.000 1 1763 199 179 PHE HD1 H 7.013 0.007 3 1764 199 179 PHE HE1 H 6.868 0.013 3 1765 199 179 PHE HZ H 7.203 0.009 1 1766 199 179 PHE CA C 59.843 0.024 1 1767 199 179 PHE CB C 36.106 0.004 1 1768 199 179 PHE CD1 C 130.135 0.038 1 1769 199 179 PHE CE1 C 128.526 0.036 1 1770 199 179 PHE CZ C 125.483 0.037 1 1771 200 180 SER HA H 4.422 0.004 1 1772 200 180 SER HB2 H 4.117 0.002 2 1773 200 180 SER CA C 57.813 0.000 1 1774 200 180 SER CB C 59.984 0.000 1 1775 201 181 LYS H H 7.391 0.003 1 1776 201 181 LYS HA H 4.612 0.009 1 1777 201 181 LYS HB2 H 2.243 0.010 1 1778 201 181 LYS HB3 H 1.985 0.008 1 1779 201 181 LYS HD2 H 1.747 0.007 2 1780 201 181 LYS HE2 H 3.038 0.003 2 1781 201 181 LYS HG2 H 1.619 0.001 1 1782 201 181 LYS HG3 H 1.457 0.012 1 1783 201 181 LYS CA C 53.415 0.000 1 1784 201 181 LYS CB C 30.453 0.000 1 1785 201 181 LYS CD C 25.977 0.000 1 1786 201 181 LYS CE C 39.410 0.000 1 1787 201 181 LYS CG C 22.938 0.004 1 1788 201 181 LYS N N 119.268 0.036 1 1789 202 182 ILE H H 7.400 0.004 1 1790 202 182 ILE HA H 3.566 0.003 1 1791 202 182 ILE HB H 1.737 0.014 1 1792 202 182 ILE HD1 H 0.623 0.006 1 1793 202 182 ILE HG12 H 1.813 0.011 1 1794 202 182 ILE HG13 H 0.484 0.008 1 1795 202 182 ILE HG2 H 0.652 0.007 1 1796 202 182 ILE CA C 64.385 0.026 1 1797 202 182 ILE CB C 35.720 0.000 1 1798 202 182 ILE CD1 C 11.914 0.056 1 1799 202 182 ILE CG1 C 28.269 0.026 1 1800 202 182 ILE CG2 C 14.752 0.010 1 1801 202 182 ILE N N 119.055 0.000 1 1802 203 183 GLY H H 8.872 0.003 1 1803 203 183 GLY HA2 H 3.698 0.007 1 1804 203 183 GLY HA3 H 4.008 0.005 1 1805 203 183 GLY CA C 44.813 0.032 1 1806 203 183 GLY N N 105.783 0.023 1 1807 204 184 GLY H H 8.235 0.003 1 1808 204 184 GLY HA2 H 4.040 0.011 1 1809 204 184 GLY HA3 H 3.991 0.010 1 1810 204 184 GLY CA C 43.997 0.009 1 1811 204 184 GLY N N 109.746 0.029 1 1812 205 185 ILE H H 7.973 0.005 1 1813 205 185 ILE HA H 3.942 0.011 1 1814 205 185 ILE HB H 2.088 0.004 1 1815 205 185 ILE HD1 H 0.902 0.008 1 1816 205 185 ILE HG12 H 1.862 0.004 1 1817 205 185 ILE HG13 H 1.134 0.003 1 1818 205 185 ILE HG2 H 0.831 0.004 1 1819 205 185 ILE CA C 62.313 0.000 1 1820 205 185 ILE CB C 35.698 0.024 1 1821 205 185 ILE CD1 C 11.068 0.039 1 1822 205 185 ILE CG1 C 26.040 0.015 1 1823 205 185 ILE CG2 C 15.732 0.036 1 1824 205 185 ILE N N 123.149 0.036 1 1825 206 186 LEU H H 8.613 0.003 1 1826 206 186 LEU HA H 4.210 0.008 1 1827 206 186 LEU HB2 H 1.916 0.012 1 1828 206 186 LEU HB3 H 1.833 0.002 1 1829 206 186 LEU HD1 H 0.987 0.006 1 1830 206 186 LEU HD2 H 0.983 0.017 1 1831 206 186 LEU HG H 1.893 0.006 1 1832 206 186 LEU CA C 55.432 0.000 1 1833 206 186 LEU CB C 39.362 0.015 1 1834 206 186 LEU CD1 C 23.025 0.000 1 1835 206 186 LEU CD2 C 22.170 0.029 1 1836 206 186 LEU CG C 24.534 0.000 1 1837 206 186 LEU N N 119.185 0.038 1 1838 207 187 ALA H H 7.800 0.005 1 1839 207 187 ALA HA H 4.292 0.005 1 1840 207 187 ALA HB H 1.599 0.006 1 1841 207 187 ALA CA C 51.322 0.029 1 1842 207 187 ALA CB C 15.945 0.000 1 1843 207 187 ALA N N 117.923 0.033 1 1844 208 188 ASN H H 7.752 0.003 1 1845 208 188 ASN HA H 4.744 0.008 1 1846 208 188 ASN HB2 H 3.038 0.005 1 1847 208 188 ASN HB3 H 2.963 0.004 1 1848 208 188 ASN HD21 H 7.694 0.000 1 1849 208 188 ASN HD22 H 6.877 0.000 1 1850 208 188 ASN CA C 51.711 0.000 1 1851 208 188 ASN CB C 36.733 0.026 1 1852 208 188 ASN N N 114.891 0.041 1 1853 208 188 ASN ND2 N 112.869 0.003 1 1854 209 189 GLU H H 8.047 0.003 1 1855 209 189 GLU HA H 4.410 0.004 1 1856 209 189 GLU HB2 H 2.328 0.003 1 1857 209 189 GLU HB3 H 1.939 0.005 1 1858 209 189 GLU HG2 H 2.429 0.014 1 1859 209 189 GLU HG3 H 2.184 0.006 1 1860 209 189 GLU CA C 53.749 0.000 1 1861 209 189 GLU CB C 28.462 0.001 1 1862 209 189 GLU CG C 33.654 0.047 1 1863 209 189 GLU N N 118.420 0.031 1 1864 210 190 LEU H H 7.504 0.003 1 1865 210 190 LEU HA H 4.314 0.001 1 1866 210 190 LEU HB2 H 1.743 0.009 2 1867 210 190 LEU HD1 H 1.010 0.021 1 1868 210 190 LEU HD2 H 1.025 0.012 1 1869 210 190 LEU HG H 1.837 0.013 1 1870 210 190 LEU CA C 54.047 0.000 1 1871 210 190 LEU CB C 41.011 0.000 1 1872 210 190 LEU CD1 C 23.199 0.000 1 1873 210 190 LEU CD2 C 21.009 0.000 1 1874 210 190 LEU CG C 24.457 0.000 1 1875 210 190 LEU N N 126.752 0.026 1 stop_ save_