data_19777 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of tandem RRM domains of cytoplasmic polyadenylation element binding protein 4 (CPEB4) in free state ; _BMRB_accession_number 19777 _BMRB_flat_file_name bmr19777.str _Entry_type original _Submission_date 2014-02-07 _Accession_date 2014-02-07 _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 Afroz Tariq . . 2 Skrisovska Lenka . . 3 Belloc Eulalia . . 4 Boixet Jordina G. . 5 Mendez Raul . . 6 Allain Frederic H.-T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 886 "13C chemical shifts" 463 "15N chemical shifts" 181 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-21 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19771 CPEB1ZZ 19775 CPEB1RRM12 19776 'CPEB4RRM12 in complex with RNA' 19778 'CPEB1RRM12 in complex with RNA' stop_ _Original_release_date 2014-07-21 save_ ############################# # Citation for this entry # ############################# save_CPEB4RRM12_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'A fly trap mechanism provides sequence-specific RNA recognition by CPEB proteins' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24990967 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Afroz Tariq . . 2 Skrisovska Lenka . . 3 Belloc Eulalia . . 4 Boixet Jordina G. . 5 Mendez Raul . . 6 Allain Frederic H.-T. . stop_ _Journal_abbreviation 'Genes Dev.' _Journal_volume 28 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1498 _Page_last 1514 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CPEB4RRM12 in free state' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CPEB4RRM12 $CPEB4RRM12 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_CPEB4RRM12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CPEB4RRM12 _Molecular_mass 22712.996 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 203 _Mol_residue_sequence ; SHQNGERVERYSRKVFVGGL PPDIDEDEITASFRRFGPLI VDWPHKAESKSYFPPKGYAF LLFQDESSVQALIDACIEED GKLYLCVSSPTIKDKPVQIR PWNLSDSDFVMDGSQPLDPR KTIFVGGVPRPLRAVELAMI MDRLYGGVCYAGIDTDPELK YPKGAGRVAFSNQQSYIAAI SARFVQLQHGEIDKRVEVKP YVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 53 SER 2 54 HIS 3 55 GLN 4 56 ASN 5 57 GLY 6 58 GLU 7 59 ARG 8 60 VAL 9 61 GLU 10 62 ARG 11 63 TYR 12 64 SER 13 65 ARG 14 66 LYS 15 67 VAL 16 68 PHE 17 69 VAL 18 70 GLY 19 71 GLY 20 72 LEU 21 73 PRO 22 74 PRO 23 75 ASP 24 76 ILE 25 77 ASP 26 78 GLU 27 79 ASP 28 80 GLU 29 81 ILE 30 82 THR 31 83 ALA 32 84 SER 33 85 PHE 34 86 ARG 35 87 ARG 36 88 PHE 37 89 GLY 38 90 PRO 39 91 LEU 40 92 ILE 41 93 VAL 42 94 ASP 43 95 TRP 44 96 PRO 45 97 HIS 46 98 LYS 47 99 ALA 48 100 GLU 49 101 SER 50 102 LYS 51 103 SER 52 104 TYR 53 105 PHE 54 106 PRO 55 107 PRO 56 108 LYS 57 109 GLY 58 110 TYR 59 111 ALA 60 112 PHE 61 113 LEU 62 114 LEU 63 115 PHE 64 116 GLN 65 117 ASP 66 118 GLU 67 119 SER 68 120 SER 69 121 VAL 70 122 GLN 71 123 ALA 72 124 LEU 73 125 ILE 74 126 ASP 75 127 ALA 76 128 CYS 77 129 ILE 78 130 GLU 79 131 GLU 80 132 ASP 81 133 GLY 82 134 LYS 83 135 LEU 84 136 TYR 85 137 LEU 86 138 CYS 87 139 VAL 88 140 SER 89 141 SER 90 142 PRO 91 143 THR 92 144 ILE 93 145 LYS 94 146 ASP 95 147 LYS 96 148 PRO 97 149 VAL 98 150 GLN 99 151 ILE 100 152 ARG 101 153 PRO 102 154 TRP 103 155 ASN 104 156 LEU 105 157 SER 106 158 ASP 107 159 SER 108 160 ASP 109 161 PHE 110 162 VAL 111 163 MET 112 164 ASP 113 165 GLY 114 166 SER 115 167 GLN 116 168 PRO 117 169 LEU 118 170 ASP 119 171 PRO 120 172 ARG 121 173 LYS 122 174 THR 123 175 ILE 124 176 PHE 125 177 VAL 126 178 GLY 127 179 GLY 128 180 VAL 129 181 PRO 130 182 ARG 131 183 PRO 132 184 LEU 133 185 ARG 134 186 ALA 135 187 VAL 136 188 GLU 137 189 LEU 138 190 ALA 139 191 MET 140 192 ILE 141 193 MET 142 194 ASP 143 195 ARG 144 196 LEU 145 197 TYR 146 198 GLY 147 199 GLY 148 200 VAL 149 201 CYS 150 202 TYR 151 203 ALA 152 204 GLY 153 205 ILE 154 206 ASP 155 207 THR 156 208 ASP 157 209 PRO 158 210 GLU 159 211 LEU 160 212 LYS 161 213 TYR 162 214 PRO 163 215 LYS 164 216 GLY 165 217 ALA 166 218 GLY 167 219 ARG 168 220 VAL 169 221 ALA 170 222 PHE 171 223 SER 172 224 ASN 173 225 GLN 174 226 GLN 175 227 SER 176 228 TYR 177 229 ILE 178 230 ALA 179 231 ALA 180 232 ILE 181 233 SER 182 234 ALA 183 235 ARG 184 236 PHE 185 237 VAL 186 238 GLN 187 239 LEU 188 240 GLN 189 241 HIS 190 242 GLY 191 243 GLU 192 244 ILE 193 245 ASP 194 246 LYS 195 247 ARG 196 248 VAL 197 249 GLU 198 250 VAL 199 251 LYS 200 252 PRO 201 253 TYR 202 254 VAL 203 255 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19776 CPEB4RRM12 100.00 203 100.00 100.00 1.13e-145 PDB 2MKI "Solution Structure Of Tandem Rrm Domains Of Cytoplasmic Polyadenylation Element Binding Protein 4 (cpeb4) In Complex With Rna" 100.00 203 100.00 100.00 1.13e-145 PDB 2MKJ "Solution Structure Of Tandem Rrm Domains Of Cytoplasmic Polyadenylation Element Binding Protein 4 (cpeb4) In Free State" 99.51 202 100.00 100.00 5.40e-145 DBJ BAA76784 "KIAA0940 protein [Homo sapiens]" 99.01 684 97.51 99.50 6.14e-137 DBJ BAB21764 "KIAA1673 protein [Homo sapiens]" 100.00 712 100.00 100.00 2.65e-140 DBJ BAB29821 "unnamed protein product [Mus musculus]" 100.00 295 99.51 100.00 1.01e-142 DBJ BAB29832 "unnamed protein product [Mus musculus]" 100.00 295 99.01 99.51 1.28e-141 DBJ BAC41458 "mKIAA0940 protein [Mus musculus]" 99.01 722 97.51 99.50 3.07e-136 EMBL CAD98072 "hypothetical protein [Homo sapiens]" 100.00 729 100.00 100.00 4.53e-140 EMBL CAF91663 "unnamed protein product, partial [Tetraodon nigroviridis]" 69.46 245 97.16 99.29 8.87e-92 EMBL CAG10148 "unnamed protein product [Tetraodon nigroviridis]" 99.51 761 97.52 99.01 1.43e-134 EMBL CAH91098 "hypothetical protein [Pongo abelii]" 100.00 482 97.04 100.00 1.32e-139 EMBL CAH91116 "hypothetical protein [Pongo abelii]" 100.00 443 99.51 100.00 3.56e-141 GB AAH36444 "Cytoplasmic polyadenylation element binding protein 3 [Homo sapiens]" 99.01 697 97.01 99.00 5.07e-134 GB AAH36899 "CPEB4 protein [Homo sapiens]" 100.00 322 100.00 100.00 4.71e-143 GB AAH55522 "Cytoplasmic polyadenylation element binding protein 4 [Danio rerio]" 99.51 635 97.52 99.01 8.49e-138 GB AAI03940 "CPEB2 protein [Homo sapiens]" 100.00 548 97.04 100.00 2.11e-138 GB AAI03941 "Cytoplasmic polyadenylation element binding protein 2 [Homo sapiens]" 100.00 589 97.04 100.00 5.33e-138 REF NP_001015925 "cytoplasmic polyadenylation element-binding protein 3 [Xenopus (Silurana) tropicalis]" 99.01 632 97.01 99.50 1.28e-136 REF NP_001100462 "cytoplasmic polyadenylation element-binding protein 4 [Rattus norvegicus]" 100.00 721 99.51 100.00 5.97e-140 REF NP_001170850 "cytoplasmic polyadenylation element-binding protein 2 isoform 2 [Mus musculus]" 100.00 992 97.04 100.00 3.40e-136 REF NP_001170852 "cytoplasmic polyadenylation element-binding protein 2 isoform C [Homo sapiens]" 100.00 1007 97.04 100.00 1.61e-135 REF NP_001170853 "cytoplasmic polyadenylation element-binding protein 2 isoform D [Homo sapiens]" 100.00 1034 97.04 100.00 2.65e-135 SP Q17RY0 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 4; Short=CPE-BP4; Short=CPE-binding protein 4; Short=hCPEB-4" 100.00 729 100.00 100.00 3.73e-140 SP Q28CH2 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 3; Short=CPE-BP3; Short=CPE-binding protein 3; Short=CPEB-3" 99.01 632 97.01 99.50 1.28e-136 SP Q7SXN4 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 4; Short=CPE-BP4; Short=CPE-binding protein 4; Short=CPEB-4" 99.51 635 97.52 99.01 8.49e-138 SP Q7TN98 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 4; Short=CPE-BP4; Short=CPE-binding protein 4; Short=mCPEB-4" 100.00 729 99.51 100.00 1.26e-139 SP Q7TN99 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 3; Short=CPE-BP3; Short=CPE-binding protein 3; Short=mCPEB-3" 99.01 716 97.51 99.50 3.38e-136 TPG DAA14951 "TPA: cytoplasmic polyadenylation element binding protein 3 [Bos taurus]" 99.01 698 97.51 99.50 1.18e-136 TPG DAA18039 "TPA: cytoplasmic polyadenylation element binding protein 4 [Bos taurus]" 100.00 322 99.51 100.00 1.02e-142 TPG DAA28393 "TPA: cytoplasmic polyadenylation element binding protein 2 isoform 1 [Bos taurus]" 100.00 485 97.04 100.00 3.82e-139 TPG DAA28394 "TPA: cytoplasmic polyadenylation element binding protein 2 isoform 2 [Bos taurus]" 100.00 477 97.04 100.00 2.43e-139 TPG DAA28395 "TPA: cytoplasmic polyadenylation element binding protein 2 isoform 3 [Bos taurus]" 100.00 447 97.04 100.00 2.51e-139 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CPEB4RRM12 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 $CPEB4RRM12 'recombinant technology' . Escherichia coli . pET28A(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB4RRM12 . mM 0.4 0.6 '[U-100% 13C; U-100% 15N]' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB4RRM12 . mM 0.4 0.6 '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB4RRM12 . mM 0.4 0.6 '[U-100% 15N]' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB4RRM12 . mM 0.4 0.6 '[U-100% 15N]' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_3 save_ save_2D_TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TROSY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_4 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_trHNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCACB' _Sample_label $sample_2 save_ save_3D_trHNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCA' _Sample_label $sample_2 save_ save_3D_trHN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHN(CO)CA' _Sample_label $sample_2 save_ save_3D_trHNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCO' _Sample_label $sample_3 save_ save_3D_trHCACO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHCACO' _Sample_label $sample_2 save_ save_3D_hCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCcH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCcH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 0.15 . M pH 7.0 . pH pressure 1 . atm temperature 303 . 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 water H 1 protons ppm 4.6 internal direct . . . 1.000000000 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_CPEB4RRM12_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D TROSY' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D trHNCACB' '3D trHNCA' '3D trHN(CO)CA' '3D trHNCO' '3D hCCH-TOCSY' '3D HCcH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CPEB4RRM12 _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 56 4 ASN HB2 H 2.960 0.000 . 2 56 4 ASN HB3 H 2.663 0.216 . 3 56 4 ASN HD21 H 7.667 0.000 . 4 56 4 ASN HD22 H 6.960 0.000 . 5 56 4 ASN CB C 35.359 0.012 . 6 56 4 ASN ND2 N 110.954 0.000 . 7 58 6 GLU H H 8.290 0.000 . 8 58 6 GLU N N 121.271 0.000 . 9 59 7 ARG H H 8.218 0.003 . 10 59 7 ARG N N 123.406 0.106 . 11 60 8 VAL H H 8.076 0.004 . 12 60 8 VAL HA H 3.993 0.003 . 13 60 8 VAL HB H 1.865 0.007 . 14 60 8 VAL HG1 H 0.740 0.008 . 15 60 8 VAL HG2 H 0.759 0.004 . 16 60 8 VAL CA C 58.790 0.000 . 17 60 8 VAL CB C 29.699 0.000 . 18 60 8 VAL CG1 C 17.844 0.009 . 19 60 8 VAL CG2 C 17.353 0.009 . 20 60 8 VAL N N 124.100 0.000 . 21 61 9 GLU H H 8.305 0.007 . 22 61 9 GLU HA H 4.107 0.003 . 23 61 9 GLU HB2 H 1.673 0.006 . 24 61 9 GLU HB3 H 1.702 0.007 . 25 61 9 GLU HG2 H 2.108 0.002 . 26 61 9 GLU HG3 H 2.178 0.005 . 27 61 9 GLU CA C 53.580 0.000 . 28 61 9 GLU CB C 27.290 0.000 . 29 61 9 GLU CG C 32.958 0.000 . 30 61 9 GLU N N 125.900 0.000 . 31 62 10 ARG H H 8.794 0.019 . 32 62 10 ARG HA H 4.225 0.005 . 33 62 10 ARG HB2 H 1.282 0.001 . 34 62 10 ARG HB3 H 1.282 0.001 . 35 62 10 ARG HG2 H 1.038 0.003 . 36 62 10 ARG HG3 H 1.327 0.004 . 37 62 10 ARG HD2 H 2.913 0.003 . 38 62 10 ARG HD3 H 2.913 0.003 . 39 62 10 ARG CA C 52.600 0.000 . 40 62 10 ARG CB C 30.054 0.000 . 41 62 10 ARG CG C 23.671 0.008 . 42 62 10 ARG CD C 39.902 0.000 . 43 62 10 ARG N N 123.400 0.000 . 44 63 11 TYR H H 8.714 0.007 . 45 63 11 TYR HA H 5.524 0.010 . 46 63 11 TYR HB2 H 2.472 0.024 . 47 63 11 TYR HB3 H 3.292 0.013 . 48 63 11 TYR HD1 H 6.810 0.008 . 49 63 11 TYR HD2 H 6.810 0.008 . 50 63 11 TYR HE1 H 6.561 0.005 . 51 63 11 TYR HE2 H 6.561 0.005 . 52 63 11 TYR CA C 53.450 0.000 . 53 63 11 TYR CB C 39.989 0.006 . 54 63 11 TYR CD1 C 133.100 0.000 . 55 63 11 TYR CE1 C 117.700 0.000 . 56 63 11 TYR N N 120.324 0.090 . 57 64 12 SER H H 8.518 0.004 . 58 64 12 SER N N 111.734 0.035 . 59 65 13 ARG H H 8.835 0.004 . 60 65 13 ARG HA H 4.075 0.006 . 61 65 13 ARG HD2 H 3.203 0.005 . 62 65 13 ARG HD3 H 3.203 0.005 . 63 65 13 ARG CA C 55.910 0.000 . 64 65 13 ARG CD C 40.408 0.000 . 65 65 13 ARG N N 126.831 0.062 . 66 66 14 LYS H H 8.170 0.002 . 67 66 14 LYS HA H 5.162 0.003 . 68 66 14 LYS CA C 51.730 0.000 . 69 66 14 LYS N N 121.273 0.038 . 70 67 15 VAL H H 9.276 0.011 . 71 67 15 VAL HA H 4.258 0.003 . 72 67 15 VAL HB H 1.816 0.007 . 73 67 15 VAL HG1 H 0.712 0.005 . 74 67 15 VAL HG2 H 1.024 0.007 . 75 67 15 VAL CA C 58.100 0.000 . 76 67 15 VAL CB C 33.200 0.000 . 77 67 15 VAL CG1 C 18.735 0.000 . 78 67 15 VAL CG2 C 19.705 0.000 . 79 67 15 VAL N N 127.500 0.000 . 80 68 16 PHE H H 7.362 0.005 . 81 68 16 PHE HB2 H 3.129 0.006 . 82 68 16 PHE HB3 H 3.298 0.003 . 83 68 16 PHE HD1 H 6.639 0.005 . 84 68 16 PHE HD2 H 6.639 0.005 . 85 68 16 PHE HE1 H 6.682 0.008 . 86 68 16 PHE HE2 H 6.682 0.008 . 87 68 16 PHE HZ H 6.845 0.007 . 88 68 16 PHE CB C 37.065 0.000 . 89 68 16 PHE CD2 C 131.260 0.049 . 90 68 16 PHE CE2 C 131.300 0.000 . 91 68 16 PHE CZ C 129.900 0.000 . 92 68 16 PHE N N 128.235 0.084 . 93 69 17 VAL H H 8.008 0.005 . 94 69 17 VAL HA H 5.073 0.003 . 95 69 17 VAL HB H 1.442 0.004 . 96 69 17 VAL HG1 H 0.523 0.007 . 97 69 17 VAL HG2 H 0.469 0.001 . 98 69 17 VAL CA C 55.842 0.000 . 99 69 17 VAL CB C 30.605 0.000 . 100 69 17 VAL CG1 C 18.052 0.000 . 101 69 17 VAL CG2 C 17.987 0.000 . 102 69 17 VAL N N 127.600 0.000 . 103 70 18 GLY H H 8.728 0.002 . 104 70 18 GLY HA2 H 3.667 0.016 . 105 70 18 GLY HA3 H 3.667 0.016 . 106 70 18 GLY CA C 41.222 0.000 . 107 70 18 GLY N N 110.749 0.011 . 108 71 19 GLY H H 7.905 0.002 . 109 71 19 GLY HA2 H 3.712 0.006 . 110 71 19 GLY HA3 H 4.215 0.007 . 111 71 19 GLY CA C 42.774 0.027 . 112 71 19 GLY N N 109.222 0.030 . 113 72 20 LEU H H 8.340 0.006 . 114 72 20 LEU HA H 3.945 0.004 . 115 72 20 LEU HB2 H 1.129 0.005 . 116 72 20 LEU HB3 H 1.129 0.005 . 117 72 20 LEU HD1 H 0.345 0.004 . 118 72 20 LEU HD2 H 0.695 0.003 . 119 72 20 LEU CA C 50.380 0.000 . 120 72 20 LEU CB C 37.845 0.000 . 121 72 20 LEU CD1 C 23.248 0.000 . 122 72 20 LEU CD2 C 20.432 0.000 . 123 72 20 LEU N N 119.900 0.000 . 124 74 22 PRO HA H 4.199 0.003 . 125 74 22 PRO CA C 60.806 0.000 . 126 75 23 ASP H H 8.196 0.003 . 127 75 23 ASP HA H 3.923 0.003 . 128 75 23 ASP HB2 H 2.083 0.009 . 129 75 23 ASP HB3 H 2.680 0.008 . 130 75 23 ASP CA C 49.240 0.000 . 131 75 23 ASP CB C 35.792 0.000 . 132 75 23 ASP N N 115.230 0.001 . 133 76 24 ILE H H 6.844 0.003 . 134 76 24 ILE HA H 4.485 0.004 . 135 76 24 ILE HG12 H 0.569 0.003 . 136 76 24 ILE HG13 H 0.569 0.003 . 137 76 24 ILE HD1 H 0.803 0.003 . 138 76 24 ILE CA C 57.170 0.000 . 139 76 24 ILE CG1 C 10.996 0.000 . 140 76 24 ILE CD1 C 13.270 0.000 . 141 76 24 ILE N N 119.108 0.018 . 142 77 25 ASP H H 8.060 0.006 . 143 77 25 ASP HA H 4.815 0.005 . 144 77 25 ASP HB2 H 2.249 0.003 . 145 77 25 ASP HB3 H 2.727 0.004 . 146 77 25 ASP CA C 48.730 0.000 . 147 77 25 ASP CB C 39.543 0.000 . 148 77 25 ASP N N 125.800 0.000 . 149 78 26 GLU H H 8.575 0.004 . 150 78 26 GLU HA H 3.763 0.003 . 151 78 26 GLU HB2 H 2.047 0.014 . 152 78 26 GLU HB3 H 2.168 0.002 . 153 78 26 GLU HG2 H 1.978 0.010 . 154 78 26 GLU HG3 H 2.122 0.003 . 155 78 26 GLU CA C 57.470 0.000 . 156 78 26 GLU CB C 27.327 0.000 . 157 78 26 GLU CG C 32.373 0.022 . 158 78 26 GLU N N 118.813 0.020 . 159 79 27 ASP H H 8.460 0.006 . 160 79 27 ASP HA H 4.342 0.000 . 161 79 27 ASP HB2 H 2.552 0.000 . 162 79 27 ASP HB3 H 2.736 0.000 . 163 79 27 ASP N N 122.700 0.000 . 164 80 28 GLU H H 8.473 0.006 . 165 80 28 GLU HA H 4.151 0.007 . 166 80 28 GLU HB2 H 1.952 0.003 . 167 80 28 GLU HB3 H 2.189 0.008 . 168 80 28 GLU HG2 H 2.297 0.010 . 169 80 28 GLU HG3 H 2.338 0.016 . 170 80 28 GLU CA C 55.570 0.000 . 171 80 28 GLU CB C 26.852 0.022 . 172 80 28 GLU CG C 33.571 0.000 . 173 80 28 GLU N N 123.900 0.000 . 174 81 29 ILE H H 8.761 0.008 . 175 81 29 ILE HA H 3.524 0.013 . 176 81 29 ILE HB H 1.869 0.021 . 177 81 29 ILE HG12 H 1.320 0.013 . 178 81 29 ILE HG13 H 1.389 0.015 . 179 81 29 ILE HG2 H 0.797 0.019 . 180 81 29 ILE HD1 H 0.548 0.015 . 181 81 29 ILE CA C 63.642 0.044 . 182 81 29 ILE CB C 34.980 0.000 . 183 81 29 ILE CG1 C 21.422 0.023 . 184 81 29 ILE CG2 C 13.963 0.000 . 185 81 29 ILE CD1 C 11.173 0.000 . 186 81 29 ILE N N 123.203 0.059 . 187 82 30 THR H H 8.356 0.006 . 188 82 30 THR HA H 3.575 0.005 . 189 82 30 THR HB H 4.320 0.004 . 190 82 30 THR HG2 H 1.156 0.001 . 191 82 30 THR CA C 65.120 0.091 . 192 82 30 THR CB C 65.487 0.059 . 193 82 30 THR CG2 C 18.425 0.012 . 194 82 30 THR N N 116.713 0.066 . 195 83 31 ALA H H 8.202 0.007 . 196 83 31 ALA HA H 3.923 0.004 . 197 83 31 ALA HB H 1.413 0.007 . 198 83 31 ALA CA C 52.224 0.020 . 199 83 31 ALA CB C 15.333 0.008 . 200 83 31 ALA N N 122.171 0.066 . 201 84 32 SER H H 7.748 0.002 . 202 84 32 SER HA H 4.127 0.001 . 203 84 32 SER HB2 H 3.332 0.005 . 204 84 32 SER HB3 H 3.916 0.003 . 205 84 32 SER CA C 58.935 0.039 . 206 84 32 SER CB C 60.477 0.119 . 207 84 32 SER N N 113.950 0.029 . 208 85 33 PHE H H 7.443 0.011 . 209 85 33 PHE HA H 4.812 0.006 . 210 85 33 PHE HB2 H 2.650 0.005 . 211 85 33 PHE HB3 H 3.489 0.010 . 212 85 33 PHE HD1 H 7.504 0.003 . 213 85 33 PHE HD2 H 7.504 0.003 . 214 85 33 PHE HE1 H 6.963 0.002 . 215 85 33 PHE HE2 H 6.963 0.002 . 216 85 33 PHE HZ H 6.819 0.002 . 217 85 33 PHE CA C 56.301 0.080 . 218 85 33 PHE CD2 C 132.700 0.000 . 219 85 33 PHE CE2 C 130.616 0.027 . 220 85 33 PHE CZ C 128.500 0.000 . 221 85 33 PHE N N 115.524 0.010 . 222 86 34 ARG H H 8.087 0.005 . 223 86 34 ARG N N 122.590 0.091 . 224 87 35 ARG H H 7.807 0.000 . 225 87 35 ARG N N 118.400 0.000 . 226 88 36 PHE H H 7.627 0.003 . 227 88 36 PHE HA H 4.457 0.007 . 228 88 36 PHE HB2 H 2.980 0.011 . 229 88 36 PHE HB3 H 3.405 0.004 . 230 88 36 PHE HD1 H 7.161 0.006 . 231 88 36 PHE HD2 H 7.161 0.006 . 232 88 36 PHE HE1 H 7.441 0.006 . 233 88 36 PHE HE2 H 7.441 0.006 . 234 88 36 PHE HZ H 7.026 0.004 . 235 88 36 PHE CA C 56.130 0.000 . 236 88 36 PHE CB C 35.540 0.022 . 237 88 36 PHE CD2 C 132.000 0.000 . 238 88 36 PHE CE2 C 131.400 0.000 . 239 88 36 PHE CZ C 129.200 0.000 . 240 88 36 PHE N N 119.507 0.012 . 241 89 37 GLY H H 7.645 0.001 . 242 89 37 GLY N N 111.571 0.000 . 243 90 38 PRO HA H 4.228 0.010 . 244 90 38 PRO HB2 H 2.199 0.000 . 245 90 38 PRO HB3 H 2.199 0.000 . 246 90 38 PRO CA C 60.609 0.000 . 247 90 38 PRO CB C 28.992 0.000 . 248 91 39 LEU H H 7.992 0.002 . 249 91 39 LEU HA H 4.968 0.002 . 250 91 39 LEU HB2 H 1.293 0.002 . 251 91 39 LEU HB3 H 1.293 0.002 . 252 91 39 LEU HD1 H 0.661 0.000 . 253 91 39 LEU HD2 H 0.966 0.005 . 254 91 39 LEU CA C 52.490 0.000 . 255 91 39 LEU CB C 40.648 0.000 . 256 91 39 LEU CD1 C 24.307 0.000 . 257 91 39 LEU CD2 C 22.247 0.000 . 258 91 39 LEU N N 121.878 0.014 . 259 92 40 ILE H H 7.601 0.005 . 260 92 40 ILE HA H 4.288 0.003 . 261 92 40 ILE HB H 1.661 0.012 . 262 92 40 ILE HG12 H 1.140 0.007 . 263 92 40 ILE HG13 H 1.215 0.005 . 264 92 40 ILE HG2 H 0.764 0.008 . 265 92 40 ILE HD1 H 0.665 0.009 . 266 92 40 ILE CA C 56.923 0.060 . 267 92 40 ILE CB C 38.873 0.000 . 268 92 40 ILE CG1 C 24.208 0.028 . 269 92 40 ILE CG2 C 14.964 0.000 . 270 92 40 ILE CD1 C 10.522 0.009 . 271 92 40 ILE N N 116.400 0.000 . 272 93 41 VAL H H 8.412 0.009 . 273 93 41 VAL HA H 4.626 0.000 . 274 93 41 VAL HB H 1.756 0.000 . 275 93 41 VAL HG1 H 0.729 0.001 . 276 93 41 VAL HG2 H 0.761 0.012 . 277 93 41 VAL CG1 C 19.414 0.000 . 278 93 41 VAL CG2 C 14.764 0.000 . 279 93 41 VAL N N 123.826 0.064 . 280 94 42 ASP H H 9.072 0.003 . 281 94 42 ASP HA H 4.635 0.000 . 282 94 42 ASP HB2 H 2.159 0.002 . 283 94 42 ASP HB3 H 2.268 0.001 . 284 94 42 ASP CB C 43.133 0.077 . 285 94 42 ASP N N 126.401 0.027 . 286 95 43 TRP H H 7.724 0.006 . 287 95 43 TRP HA H 4.782 0.000 . 288 95 43 TRP HB2 H 3.651 0.006 . 289 95 43 TRP HB3 H 3.651 0.006 . 290 95 43 TRP HD1 H 7.087 0.006 . 291 95 43 TRP HE1 H 10.216 0.001 . 292 95 43 TRP HZ2 H 6.867 0.121 . 293 95 43 TRP HZ3 H 7.102 0.006 . 294 95 43 TRP HH2 H 6.465 0.002 . 295 95 43 TRP CD1 C 128.237 0.000 . 296 95 43 TRP CZ2 C 121.450 3.551 . 297 95 43 TRP CZ3 C 119.900 0.000 . 298 95 43 TRP CH2 C 120.700 0.000 . 299 95 43 TRP N N 118.737 0.078 . 300 95 43 TRP NE1 N 131.863 0.004 . 301 97 45 HIS HD2 H 6.852 0.002 . 302 97 45 HIS HE1 H 7.832 0.002 . 303 97 45 HIS CD2 C 121.524 0.000 . 304 97 45 HIS CE1 C 138.419 0.000 . 305 98 46 LYS H H 7.734 0.002 . 306 98 46 LYS N N 124.200 0.000 . 307 100 48 GLU H H 8.040 0.005 . 308 100 48 GLU N N 117.500 0.000 . 309 104 52 TYR HE1 H 6.72 0.000 . 310 104 52 TYR HE2 H 6.72 0.000 . 311 104 52 TYR CE2 C 118.300 0.000 . 312 105 53 PHE H H 7.483 0.000 . 313 105 53 PHE HD1 H 6.986 0.003 . 314 105 53 PHE HD2 H 6.986 0.003 . 315 105 53 PHE HE1 H 7.224 0.009 . 316 105 53 PHE HE2 H 7.224 0.009 . 317 105 53 PHE CD2 C 132.500 0.000 . 318 105 53 PHE CE2 C 129.800 0.000 . 319 105 53 PHE N N 118.793 0.000 . 320 108 56 LYS H H 8.146 0.007 . 321 108 56 LYS N N 117.810 0.090 . 322 109 57 GLY H H 7.186 0.007 . 323 109 57 GLY HA2 H 3.667 0.010 . 324 109 57 GLY HA3 H 3.965 0.002 . 325 109 57 GLY CA C 43.230 0.000 . 326 109 57 GLY N N 106.220 0.000 . 327 110 58 TYR H H 6.865 0.003 . 328 110 58 TYR HA H 5.310 0.005 . 329 110 58 TYR HB2 H 2.558 0.009 . 330 110 58 TYR HB3 H 2.648 0.013 . 331 110 58 TYR HD1 H 6.553 0.003 . 332 110 58 TYR HD2 H 6.553 0.003 . 333 110 58 TYR HE1 H 6.682 0.006 . 334 110 58 TYR HE2 H 6.682 0.006 . 335 110 58 TYR CA C 51.670 0.000 . 336 110 58 TYR CB C 38.773 0.000 . 337 110 58 TYR CD2 C 134.095 0.000 . 338 110 58 TYR CE2 C 118.000 0.000 . 339 110 58 TYR N N 115.198 0.010 . 340 111 59 ALA H H 8.583 0.003 . 341 111 59 ALA HA H 4.269 0.007 . 342 111 59 ALA HB H 1.014 0.006 . 343 111 59 ALA CA C 47.309 0.051 . 344 111 59 ALA CB C 19.454 0.000 . 345 111 59 ALA N N 120.226 0.074 . 346 112 60 PHE H H 9.000 0.017 . 347 112 60 PHE HD1 H 6.856 0.004 . 348 112 60 PHE HD2 H 6.856 0.004 . 349 112 60 PHE HE1 H 7.092 0.008 . 350 112 60 PHE HE2 H 7.092 0.008 . 351 112 60 PHE CD2 C 131.400 0.000 . 352 112 60 PHE CE2 C 131.300 0.000 . 353 112 60 PHE N N 114.600 0.000 . 354 113 61 LEU H H 9.131 0.004 . 355 113 61 LEU HA H 4.274 0.008 . 356 113 61 LEU HD1 H -0.376 0.005 . 357 113 61 LEU HD2 H -0.024 0.005 . 358 113 61 LEU CA C 49.340 0.000 . 359 113 61 LEU CB C 37.780 0.000 . 360 113 61 LEU CD1 C 21.554 0.000 . 361 113 61 LEU CD2 C 18.301 0.000 . 362 113 61 LEU N N 121.652 0.094 . 363 114 62 LEU H H 8.770 0.005 . 364 114 62 LEU HA H 4.768 0.001 . 365 114 62 LEU HB2 H 1.148 0.005 . 366 114 62 LEU HB3 H 1.409 0.009 . 367 114 62 LEU HG H 1.198 0.009 . 368 114 62 LEU HD1 H 0.576 0.005 . 369 114 62 LEU CA C 50.230 0.000 . 370 114 62 LEU CB C 37.780 0.000 . 371 114 62 LEU CG C 25.112 0.000 . 372 114 62 LEU CD1 C 22.341 0.000 . 373 114 62 LEU N N 124.996 0.113 . 374 115 63 PHE H H 8.474 0.006 . 375 115 63 PHE HD1 H 7.170 0.002 . 376 115 63 PHE HD2 H 7.170 0.002 . 377 115 63 PHE CD2 C 131.239 0.000 . 378 115 63 PHE N N 125.100 0.000 . 379 116 64 GLN H H 8.074 0.004 . 380 116 64 GLN HA H 3.894 0.000 . 381 116 64 GLN HB2 H 1.915 0.000 . 382 116 64 GLN HB3 H 1.964 0.000 . 383 116 64 GLN HG2 H 2.215 0.000 . 384 116 64 GLN HG3 H 2.259 0.000 . 385 116 64 GLN N N 122.313 0.035 . 386 117 65 ASP H H 8.815 0.006 . 387 117 65 ASP HA H 4.948 0.000 . 388 117 65 ASP HB2 H 2.534 0.006 . 389 117 65 ASP HB3 H 2.779 0.006 . 390 117 65 ASP N N 117.800 0.000 . 391 118 66 GLU H H 9.228 0.001 . 392 118 66 GLU HA H 3.708 0.000 . 393 118 66 GLU HB2 H 2.041 0.000 . 394 118 66 GLU HB3 H 2.130 0.000 . 395 118 66 GLU HG2 H 2.433 0.000 . 396 118 66 GLU HG3 H 2.703 0.000 . 397 118 66 GLU N N 126.573 0.017 . 398 119 67 SER H H 8.842 0.003 . 399 119 67 SER N N 116.603 0.010 . 400 120 68 SER H H 7.585 0.003 . 401 120 68 SER HA H 4.055 0.003 . 402 120 68 SER HB2 H 2.809 0.011 . 403 120 68 SER HB3 H 3.327 0.006 . 404 120 68 SER CA C 58.870 0.000 . 405 120 68 SER CB C 60.604 0.000 . 406 120 68 SER N N 120.418 0.011 . 407 121 69 VAL H H 7.278 0.006 . 408 121 69 VAL HA H 2.784 0.009 . 409 121 69 VAL HB H 2.041 0.007 . 410 121 69 VAL HG1 H 0.425 0.000 . 411 121 69 VAL HG2 H 0.969 0.004 . 412 121 69 VAL CA C 63.281 0.000 . 413 121 69 VAL CB C 27.795 0.000 . 414 121 69 VAL CG1 C 17.940 0.000 . 415 121 69 VAL CG2 C 19.533 0.000 . 416 121 69 VAL N N 120.811 0.021 . 417 122 70 GLN H H 7.085 0.006 . 418 122 70 GLN HA H 3.598 0.000 . 419 122 70 GLN HB2 H 2.059 0.014 . 420 122 70 GLN HB3 H 2.117 0.002 . 421 122 70 GLN HG2 H 2.263 0.000 . 422 122 70 GLN HG3 H 2.263 0.000 . 423 122 70 GLN HE21 H 8.162 0.002 . 424 122 70 GLN HE22 H 6.895 0.004 . 425 122 70 GLN N N 117.760 0.030 . 426 122 70 GLN NE2 N 117.751 0.045 . 427 123 71 ALA H H 7.189 0.001 . 428 123 71 ALA HA H 4.038 0.000 . 429 123 71 ALA HB H 1.587 0.000 . 430 123 71 ALA N N 120.859 0.025 . 431 124 72 LEU H H 7.422 0.004 . 432 124 72 LEU HA H 2.632 0.002 . 433 124 72 LEU HB2 H 0.515 0.007 . 434 124 72 LEU HB3 H 1.654 0.002 . 435 124 72 LEU HG H 1.615 0.005 . 436 124 72 LEU HD1 H 0.549 0.007 . 437 124 72 LEU HD2 H 0.663 0.001 . 438 124 72 LEU CA C 54.190 0.000 . 439 124 72 LEU CB C 37.795 0.000 . 440 124 72 LEU CG C 25.100 0.000 . 441 124 72 LEU CD1 C 21.434 0.000 . 442 124 72 LEU CD2 C 24.319 0.000 . 443 124 72 LEU N N 121.200 0.000 . 444 125 73 ILE H H 7.998 0.003 . 445 125 73 ILE HA H 3.353 0.010 . 446 125 73 ILE HB H 1.615 0.012 . 447 125 73 ILE HG12 H 0.547 0.005 . 448 125 73 ILE HG13 H 0.547 0.005 . 449 125 73 ILE HG2 H 0.678 0.007 . 450 125 73 ILE HD1 H -0.007 0.002 . 451 125 73 ILE CA C 62.708 0.048 . 452 125 73 ILE CG1 C 21.681 0.018 . 453 125 73 ILE CG2 C 13.898 0.004 . 454 125 73 ILE CD1 C 10.449 0.030 . 455 125 73 ILE N N 121.069 0.040 . 456 126 74 ASP H H 8.093 0.013 . 457 126 74 ASP HA H 4.268 0.005 . 458 126 74 ASP HB2 H 2.591 0.004 . 459 126 74 ASP HB3 H 2.696 0.008 . 460 126 74 ASP CA C 53.740 0.000 . 461 126 74 ASP CB C 37.669 0.001 . 462 126 74 ASP N N 119.629 0.064 . 463 127 75 ALA H H 7.401 0.002 . 464 127 75 ALA HA H 4.375 0.004 . 465 127 75 ALA HB H 1.635 0.004 . 466 127 75 ALA CA C 49.382 0.023 . 467 127 75 ALA CB C 17.572 0.006 . 468 127 75 ALA N N 121.521 0.033 . 469 128 76 CYS H H 7.317 0.006 . 470 128 76 CYS HA H 4.513 0.005 . 471 128 76 CYS HB2 H 2.580 0.009 . 472 128 76 CYS HB3 H 3.099 0.013 . 473 128 76 CYS CA C 58.740 0.006 . 474 128 76 CYS CB C 27.155 0.000 . 475 128 76 CYS N N 117.604 0.010 . 476 129 77 ILE H H 8.959 0.008 . 477 129 77 ILE HA H 4.278 0.008 . 478 129 77 ILE HB H 1.713 0.008 . 479 129 77 ILE HG12 H 1.153 0.007 . 480 129 77 ILE HG13 H 1.543 0.010 . 481 129 77 ILE HG2 H 0.859 0.003 . 482 129 77 ILE HD1 H 0.779 0.010 . 483 129 77 ILE CA C 57.170 0.000 . 484 129 77 ILE CB C 37.118 0.038 . 485 129 77 ILE CG1 C 24.820 0.000 . 486 129 77 ILE CG2 C 15.302 0.006 . 487 129 77 ILE CD1 C 10.520 0.026 . 488 129 77 ILE N N 121.508 0.037 . 489 130 78 GLU H H 8.393 0.006 . 490 130 78 GLU HA H 5.313 0.003 . 491 130 78 GLU HB2 H 1.663 0.011 . 492 130 78 GLU HB3 H 1.911 0.005 . 493 130 78 GLU HG2 H 1.859 0.009 . 494 130 78 GLU HG3 H 2.002 0.005 . 495 130 78 GLU CA C 51.701 0.032 . 496 130 78 GLU CB C 28.511 0.023 . 497 130 78 GLU CG C 33.413 0.075 . 498 130 78 GLU N N 127.148 0.121 . 499 131 79 GLU H H 9.126 0.004 . 500 131 79 GLU HA H 4.456 0.003 . 501 131 79 GLU HB2 H 1.838 0.009 . 502 131 79 GLU HB3 H 1.898 0.006 . 503 131 79 GLU HG2 H 1.980 0.004 . 504 131 79 GLU HG3 H 2.061 0.004 . 505 131 79 GLU CA C 53.082 0.027 . 506 131 79 GLU CB C 29.669 0.002 . 507 131 79 GLU CG C 33.288 0.002 . 508 131 79 GLU N N 127.652 0.060 . 509 133 81 GLY H H 8.791 0.002 . 510 133 81 GLY HA2 H 3.582 0.002 . 511 133 81 GLY HA3 H 3.998 0.003 . 512 133 81 GLY CA C 42.577 0.079 . 513 133 81 GLY N N 104.859 0.004 . 514 134 82 LYS H H 7.808 0.006 . 515 134 82 LYS HA H 4.407 0.003 . 516 134 82 LYS HB2 H 1.976 0.008 . 517 134 82 LYS HB3 H 2.047 0.001 . 518 134 82 LYS HG2 H 1.546 0.010 . 519 134 82 LYS HG3 H 1.643 0.007 . 520 134 82 LYS HD2 H 1.785 0.005 . 521 134 82 LYS HD3 H 1.896 0.005 . 522 134 82 LYS HE2 H 2.468 0.007 . 523 134 82 LYS HE3 H 2.921 0.010 . 524 134 82 LYS CA C 51.842 0.127 . 525 134 82 LYS CB C 33.345 0.000 . 526 134 82 LYS CG C 24.393 0.069 . 527 134 82 LYS CD C 27.331 0.000 . 528 134 82 LYS CE C 37.290 0.070 . 529 134 82 LYS N N 122.658 0.050 . 530 135 83 LEU H H 8.109 0.003 . 531 135 83 LEU N N 121.163 0.000 . 532 136 84 TYR H H 8.893 0.005 . 533 136 84 TYR HA H 5.690 0.001 . 534 136 84 TYR HB2 H 2.550 0.006 . 535 136 84 TYR HB3 H 2.680 0.013 . 536 136 84 TYR HD1 H 6.746 0.001 . 537 136 84 TYR HD2 H 6.746 0.001 . 538 136 84 TYR HE1 H 6.709 0.001 . 539 136 84 TYR HE2 H 6.709 0.001 . 540 136 84 TYR CA C 53.749 0.002 . 541 136 84 TYR CB C 39.997 0.050 . 542 136 84 TYR CD1 C 133.400 0.000 . 543 136 84 TYR CE1 C 118.200 0.000 . 544 136 84 TYR N N 117.663 0.091 . 545 137 85 LEU H H 8.672 0.005 . 546 137 85 LEU HA H 4.698 0.001 . 547 137 85 LEU HB2 H 1.553 0.004 . 548 137 85 LEU HB3 H 1.669 0.001 . 549 137 85 LEU HD1 H 0.717 0.005 . 550 137 85 LEU HD2 H 0.925 0.004 . 551 137 85 LEU CA C 50.890 0.000 . 552 137 85 LEU CB C 43.361 0.000 . 553 137 85 LEU CD1 C 23.742 0.000 . 554 137 85 LEU CD2 C 21.773 0.000 . 555 137 85 LEU N N 122.600 0.000 . 556 138 86 CYS H H 8.351 0.004 . 557 138 86 CYS HA H 4.979 0.010 . 558 138 86 CYS HB2 H 2.269 0.008 . 559 138 86 CYS HB3 H 2.645 0.007 . 560 138 86 CYS CA C 56.767 0.052 . 561 138 86 CYS CB C 25.374 0.029 . 562 138 86 CYS N N 122.716 0.023 . 563 139 87 VAL H H 8.504 0.005 . 564 139 87 VAL HA H 4.358 0.011 . 565 139 87 VAL HB H 1.912 0.006 . 566 139 87 VAL HG1 H 0.661 0.010 . 567 139 87 VAL HG2 H 0.927 0.005 . 568 139 87 VAL CA C 57.270 0.000 . 569 139 87 VAL CB C 32.351 0.001 . 570 139 87 VAL CG1 C 17.403 0.000 . 571 139 87 VAL CG2 C 17.462 0.000 . 572 139 87 VAL N N 120.003 0.007 . 573 140 88 SER H H 8.230 0.012 . 574 140 88 SER HA H 5.279 0.007 . 575 140 88 SER HB2 H 3.580 0.004 . 576 140 88 SER HB3 H 3.855 0.004 . 577 140 88 SER CA C 54.327 0.046 . 578 140 88 SER CB C 62.714 0.018 . 579 140 88 SER N N 117.330 0.042 . 580 141 89 SER H H 9.237 0.013 . 581 141 89 SER N N 123.696 0.000 . 582 142 90 PRO HA H 4.152 0.005 . 583 142 90 PRO HB2 H 1.743 0.000 . 584 142 90 PRO HB3 H 1.743 0.000 . 585 142 90 PRO CA C 62.677 0.000 . 586 142 90 PRO CB C 29.152 0.000 . 587 143 91 THR H H 7.663 0.001 . 588 143 91 THR N N 104.358 0.000 . 589 144 92 ILE H H 7.465 0.005 . 590 144 92 ILE HA H 4.176 0.005 . 591 144 92 ILE HB H 1.750 0.003 . 592 144 92 ILE HG12 H 0.975 0.009 . 593 144 92 ILE HG13 H 1.335 0.005 . 594 144 92 ILE HG2 H 0.781 0.007 . 595 144 92 ILE HD1 H 0.658 0.004 . 596 144 92 ILE CA C 57.360 0.000 . 597 144 92 ILE CB C 36.030 0.000 . 598 144 92 ILE CG1 C 23.963 0.017 . 599 144 92 ILE CG2 C 15.528 0.000 . 600 144 92 ILE CD1 C 9.995 0.000 . 601 144 92 ILE N N 125.490 0.017 . 602 145 93 LYS H H 8.266 0.007 . 603 145 93 LYS HA H 4.402 0.003 . 604 145 93 LYS HB2 H 1.593 0.003 . 605 145 93 LYS HB3 H 1.593 0.003 . 606 145 93 LYS HG2 H 1.258 0.004 . 607 145 93 LYS HG3 H 1.258 0.004 . 608 145 93 LYS HD2 H 1.478 0.002 . 609 145 93 LYS HD3 H 1.478 0.002 . 610 145 93 LYS CA C 51.420 0.000 . 611 145 93 LYS CB C 29.784 0.000 . 612 145 93 LYS CG C 21.366 0.000 . 613 145 93 LYS CD C 25.609 0.000 . 614 145 93 LYS N N 125.943 0.096 . 615 146 94 ASP H H 8.676 0.010 . 616 146 94 ASP HA H 3.794 0.007 . 617 146 94 ASP HB2 H 2.558 0.014 . 618 146 94 ASP HB3 H 2.558 0.014 . 619 146 94 ASP CA C 52.220 0.000 . 620 146 94 ASP CB C 36.573 0.000 . 621 146 94 ASP N N 123.335 0.071 . 622 147 95 LYS H H 8.487 0.015 . 623 147 95 LYS N N 123.100 0.000 . 624 149 97 VAL H H 9.108 0.007 . 625 149 97 VAL HA H 4.626 0.000 . 626 149 97 VAL HB H 2.345 0.002 . 627 149 97 VAL HG1 H 0.829 0.005 . 628 149 97 VAL HG2 H 0.919 0.006 . 629 149 97 VAL CB C 29.903 0.000 . 630 149 97 VAL CG1 C 19.346 0.000 . 631 149 97 VAL CG2 C 17.249 0.000 . 632 149 97 VAL N N 124.600 0.000 . 633 150 98 GLN H H 8.518 0.001 . 634 150 98 GLN HB2 H 1.795 0.001 . 635 150 98 GLN HB3 H 1.761 0.006 . 636 150 98 GLN CB C 26.432 0.000 . 637 150 98 GLN N N 124.500 0.000 . 638 151 99 ILE H H 8.402 0.004 . 639 151 99 ILE HB H 1.840 0.002 . 640 151 99 ILE HG2 H 0.497 0.003 . 641 151 99 ILE HD1 H 0.707 0.003 . 642 151 99 ILE CB C 34.305 0.000 . 643 151 99 ILE CG2 C 14.204 0.000 . 644 151 99 ILE CD1 C 8.341 0.000 . 645 151 99 ILE N N 128.000 0.000 . 646 152 100 ARG H H 9.351 0.006 . 647 152 100 ARG HA H 5.146 0.008 . 648 152 100 ARG HB2 H 1.629 0.017 . 649 152 100 ARG HB3 H 2.091 0.002 . 650 152 100 ARG HG2 H 1.578 0.002 . 651 152 100 ARG HG3 H 1.578 0.002 . 652 152 100 ARG CA C 49.680 0.000 . 653 152 100 ARG CB C 29.767 0.000 . 654 152 100 ARG CG C 24.268 0.000 . 655 152 100 ARG N N 127.200 0.000 . 656 153 101 PRO HA H 5.021 0.008 . 657 153 101 PRO HB2 H 1.740 0.006 . 658 153 101 PRO HB3 H 1.740 0.006 . 659 153 101 PRO CA C 59.003 0.000 . 660 153 101 PRO CB C 30.357 0.000 . 661 154 102 TRP H H 10.691 0.002 . 662 154 102 TRP HA H 5.030 0.004 . 663 154 102 TRP HB2 H 3.215 0.008 . 664 154 102 TRP HB3 H 3.301 0.016 . 665 154 102 TRP HD1 H 7.077 0.003 . 666 154 102 TRP HE1 H 9.963 0.001 . 667 154 102 TRP HZ2 H 6.602 0.010 . 668 154 102 TRP HZ3 H 6.620 0.001 . 669 154 102 TRP HH2 H 7.606 0.005 . 670 154 102 TRP CA C 53.310 0.000 . 671 154 102 TRP CB C 29.024 0.000 . 672 154 102 TRP CD1 C 127.434 0.000 . 673 154 102 TRP CZ2 C 113.446 0.000 . 674 154 102 TRP CZ3 C 121.972 0.000 . 675 154 102 TRP CH2 C 121.000 0.000 . 676 154 102 TRP N N 125.145 0.055 . 677 154 102 TRP NE1 N 130.563 0.022 . 678 155 103 ASN H H 8.148 0.006 . 679 155 103 ASN HA H 4.451 0.004 . 680 155 103 ASN HB2 H 2.279 0.004 . 681 155 103 ASN HB3 H 2.524 0.007 . 682 155 103 ASN HD21 H 7.033 0.003 . 683 155 103 ASN HD22 H 6.719 0.004 . 684 155 103 ASN CA C 49.450 0.000 . 685 155 103 ASN CB C 35.636 0.021 . 686 155 103 ASN N N 129.000 0.000 . 687 155 103 ASN ND2 N 113.041 0.016 . 688 156 104 LEU H H 8.275 0.006 . 689 156 104 LEU HA H 4.121 0.005 . 690 156 104 LEU HB2 H 1.446 0.006 . 691 156 104 LEU HB3 H 1.446 0.006 . 692 156 104 LEU HG H 1.307 0.004 . 693 156 104 LEU HD1 H 0.999 0.001 . 694 156 104 LEU HD2 H 0.684 0.006 . 695 156 104 LEU CA C 54.280 0.000 . 696 156 104 LEU CB C 38.090 0.018 . 697 156 104 LEU CG C 24.139 0.027 . 698 156 104 LEU CD1 C 20.692 0.039 . 699 156 104 LEU CD2 C 22.619 0.033 . 700 156 104 LEU N N 124.700 0.087 . 701 157 105 SER H H 8.505 0.007 . 702 157 105 SER HA H 4.210 0.005 . 703 157 105 SER HB2 H 3.744 0.003 . 704 157 105 SER HB3 H 3.815 0.001 . 705 157 105 SER CA C 57.310 0.000 . 706 157 105 SER CB C 60.121 0.045 . 707 157 105 SER N N 113.315 0.022 . 708 158 106 ASP H H 7.715 0.004 . 709 158 106 ASP HA H 4.830 0.003 . 710 158 106 ASP HB2 H 2.119 0.005 . 711 158 106 ASP HB3 H 2.119 0.005 . 712 158 106 ASP CA C 52.414 0.027 . 713 158 106 ASP CB C 37.319 0.002 . 714 158 106 ASP N N 120.177 0.063 . 715 159 107 SER H H 7.582 0.007 . 716 159 107 SER HA H 4.420 0.006 . 717 159 107 SER HB2 H 4.174 0.003 . 718 159 107 SER HB3 H 4.266 0.001 . 719 159 107 SER CA C 57.730 0.000 . 720 159 107 SER CB C 61.028 0.000 . 721 159 107 SER N N 112.200 0.000 . 722 160 108 ASP H H 7.300 0.006 . 723 160 108 ASP HA H 5.259 0.005 . 724 160 108 ASP HB2 H 2.460 0.003 . 725 160 108 ASP HB3 H 2.573 0.011 . 726 160 108 ASP CA C 51.530 0.000 . 727 160 108 ASP CB C 43.621 0.001 . 728 160 108 ASP N N 119.564 0.048 . 729 161 109 PHE H H 8.699 0.003 . 730 161 109 PHE HA H 4.569 0.005 . 731 161 109 PHE HB2 H 2.224 0.011 . 732 161 109 PHE HB3 H 2.695 0.005 . 733 161 109 PHE HD1 H 6.864 0.003 . 734 161 109 PHE HD2 H 6.864 0.003 . 735 161 109 PHE HE1 H 7.473 0.004 . 736 161 109 PHE HE2 H 7.473 0.004 . 737 161 109 PHE HZ H 7.340 0.002 . 738 161 109 PHE CB C 38.575 0.017 . 739 161 109 PHE CD2 C 131.500 0.000 . 740 161 109 PHE CE2 C 131.500 0.000 . 741 161 109 PHE CZ C 129.600 0.000 . 742 161 109 PHE N N 121.500 0.000 . 743 162 110 VAL H H 8.020 0.004 . 744 162 110 VAL HA H 3.832 0.007 . 745 162 110 VAL HB H 1.701 0.004 . 746 162 110 VAL HG1 H 0.649 0.004 . 747 162 110 VAL HG2 H 0.866 0.001 . 748 162 110 VAL CA C 58.855 0.079 . 749 162 110 VAL CB C 28.671 0.002 . 750 162 110 VAL CG1 C 17.853 0.046 . 751 162 110 VAL CG2 C 18.166 0.047 . 752 162 110 VAL N N 129.301 0.046 . 753 163 111 MET H H 7.214 0.004 . 754 163 111 MET HA H 3.818 0.007 . 755 163 111 MET HB2 H 1.403 0.007 . 756 163 111 MET HB3 H 1.618 0.007 . 757 163 111 MET HG2 H 2.380 0.004 . 758 163 111 MET HG3 H 2.429 0.003 . 759 163 111 MET CA C 53.767 0.054 . 760 163 111 MET CB C 31.896 0.018 . 761 163 111 MET CG C 29.852 0.024 . 762 163 111 MET N N 128.410 0.086 . 763 164 112 ASP H H 7.721 0.005 . 764 164 112 ASP HA H 4.582 0.000 . 765 164 112 ASP HB2 H 2.462 0.007 . 766 164 112 ASP HB3 H 2.591 0.003 . 767 164 112 ASP CB C 38.718 0.000 . 768 164 112 ASP N N 116.727 0.033 . 769 166 114 SER H H 8.310 0.002 . 770 166 114 SER HA H 4.194 0.003 . 771 166 114 SER HB2 H 3.770 0.003 . 772 166 114 SER HB3 H 3.873 0.009 . 773 166 114 SER CA C 56.808 0.023 . 774 166 114 SER CB C 60.731 0.001 . 775 166 114 SER N N 116.619 0.100 . 776 167 115 GLN H H 6.936 0.003 . 777 167 115 GLN HA H 4.612 0.000 . 778 167 115 GLN HB2 H 1.555 0.001 . 779 167 115 GLN HB3 H 1.977 0.000 . 780 167 115 GLN HG2 H 2.181 0.000 . 781 167 115 GLN HG3 H 2.181 0.000 . 782 167 115 GLN HE21 H 7.369 0.002 . 783 167 115 GLN HE22 H 6.684 0.006 . 784 167 115 GLN CB C 26.455 0.000 . 785 167 115 GLN CG C 29.374 0.000 . 786 167 115 GLN N N 121.164 0.029 . 787 167 115 GLN NE2 N 113.197 0.003 . 788 168 116 PRO HA H 4.191 0.004 . 789 168 116 PRO HB2 H 2.066 0.007 . 790 168 116 PRO HB3 H 1.597 0.004 . 791 168 116 PRO CA C 58.869 0.000 . 792 168 116 PRO CB C 28.862 0.000 . 793 169 117 LEU H H 8.168 0.001 . 794 169 117 LEU HA H 3.758 0.001 . 795 169 117 LEU HB2 H 1.241 0.013 . 796 169 117 LEU HB3 H 0.988 0.006 . 797 169 117 LEU HD1 H 0.177 0.003 . 798 169 117 LEU CA C 51.798 0.000 . 799 169 117 LEU CB C 37.603 0.002 . 800 169 117 LEU CD1 C 21.840 0.000 . 801 169 117 LEU N N 123.552 0.000 . 802 170 118 ASP H H 8.414 0.001 . 803 170 118 ASP N N 125.918 0.000 . 804 171 119 PRO HA H 4.082 0.007 . 805 171 119 PRO HB2 H 2.326 0.002 . 806 171 119 PRO HB3 H 2.326 0.002 . 807 171 119 PRO CA C 62.190 0.000 . 808 171 119 PRO CB C 29.457 0.000 . 809 172 120 ARG H H 7.914 0.004 . 810 172 120 ARG HA H 4.050 0.004 . 811 172 120 ARG HB2 H 1.785 0.010 . 812 172 120 ARG HB3 H 1.785 0.010 . 813 172 120 ARG HG2 H 1.479 0.005 . 814 172 120 ARG HG3 H 1.611 0.004 . 815 172 120 ARG HD2 H 3.103 0.003 . 816 172 120 ARG HD3 H 3.103 0.003 . 817 172 120 ARG CA C 54.401 0.052 . 818 172 120 ARG CB C 26.160 0.000 . 819 172 120 ARG CG C 25.291 0.014 . 820 172 120 ARG CD C 40.120 0.000 . 821 172 120 ARG N N 114.928 0.048 . 822 173 121 LYS H H 7.401 0.008 . 823 173 121 LYS HA H 3.282 0.002 . 824 173 121 LYS HB2 H 1.533 0.004 . 825 173 121 LYS HB3 H 1.597 0.017 . 826 173 121 LYS HG2 H 1.165 0.008 . 827 173 121 LYS HG3 H 1.433 0.003 . 828 173 121 LYS HE2 H 2.680 0.008 . 829 173 121 LYS HE3 H 2.972 0.005 . 830 173 121 LYS CA C 52.416 0.016 . 831 173 121 LYS CB C 30.367 0.000 . 832 173 121 LYS CG C 26.805 0.000 . 833 173 121 LYS CE C 37.960 0.000 . 834 173 121 LYS N N 117.412 0.017 . 835 174 122 THR H H 6.913 0.004 . 836 174 122 THR HA H 5.483 0.002 . 837 174 122 THR HB H 4.077 0.003 . 838 174 122 THR HG2 H 0.709 0.000 . 839 174 122 THR CA C 58.529 0.028 . 840 174 122 THR CB C 66.690 0.000 . 841 174 122 THR CG2 C 16.936 0.000 . 842 174 122 THR N N 116.695 0.009 . 843 175 123 ILE H H 9.448 0.003 . 844 175 123 ILE HA H 5.138 0.006 . 845 175 123 ILE HB H 1.982 0.003 . 846 175 123 ILE HG12 H 0.824 0.009 . 847 175 123 ILE HG13 H 0.824 0.009 . 848 175 123 ILE HG2 H 0.621 0.015 . 849 175 123 ILE HD1 H 0.798 0.011 . 850 175 123 ILE CA C 56.590 0.000 . 851 175 123 ILE CB C 36.499 0.000 . 852 175 123 ILE CG1 C 17.133 0.000 . 853 175 123 ILE CG2 C 17.917 0.000 . 854 175 123 ILE CD1 C 11.150 0.000 . 855 175 123 ILE N N 119.419 0.027 . 856 176 124 PHE H H 9.429 0.001 . 857 176 124 PHE HA H 4.932 0.003 . 858 176 124 PHE HB2 H 2.813 0.005 . 859 176 124 PHE HB3 H 2.914 0.004 . 860 176 124 PHE HD1 H 7.082 0.006 . 861 176 124 PHE HD2 H 7.082 0.006 . 862 176 124 PHE HE1 H 7.267 0.007 . 863 176 124 PHE HE2 H 7.267 0.007 . 864 176 124 PHE HZ H 7.199 0.003 . 865 176 124 PHE CA C 53.947 0.015 . 866 176 124 PHE CB C 39.305 0.002 . 867 176 124 PHE CD1 C 131.700 0.000 . 868 176 124 PHE CE1 C 131.700 0.000 . 869 176 124 PHE CZ C 131.300 0.000 . 870 176 124 PHE N N 124.147 0.066 . 871 177 125 VAL H H 8.108 0.005 . 872 177 125 VAL HA H 4.809 0.001 . 873 177 125 VAL HB H 1.347 0.004 . 874 177 125 VAL HG1 H 0.502 0.003 . 875 177 125 VAL HG2 H 0.600 0.002 . 876 177 125 VAL CA C 56.758 0.094 . 877 177 125 VAL CB C 29.783 0.000 . 878 177 125 VAL CG1 C 19.447 0.000 . 879 177 125 VAL CG2 C 18.279 0.000 . 880 177 125 VAL N N 126.730 0.073 . 881 178 126 GLY H H 9.031 0.006 . 882 178 126 GLY HA2 H 3.718 0.002 . 883 178 126 GLY HA3 H 4.339 0.003 . 884 178 126 GLY CA C 41.570 0.000 . 885 178 126 GLY N N 114.008 0.009 . 886 179 127 GLY H H 8.126 0.005 . 887 179 127 GLY HA2 H 3.736 0.003 . 888 179 127 GLY HA3 H 4.111 0.004 . 889 179 127 GLY CA C 43.020 0.000 . 890 179 127 GLY N N 111.427 0.026 . 891 180 128 VAL H H 6.852 0.004 . 892 180 128 VAL HA H 3.313 0.002 . 893 180 128 VAL HB H 1.372 0.008 . 894 180 128 VAL HG1 H 0.448 0.007 . 895 180 128 VAL HG2 H 0.600 0.002 . 896 180 128 VAL CA C 57.720 0.000 . 897 180 128 VAL CB C 29.608 0.000 . 898 180 128 VAL CG1 C 19.447 0.000 . 899 180 128 VAL CG2 C 18.980 0.000 . 900 180 128 VAL N N 120.317 0.018 . 901 181 129 PRO HA H 4.234 0.004 . 902 181 129 PRO CA C 59.748 0.000 . 903 182 130 ARG H H 8.691 0.001 . 904 182 130 ARG N N 124.337 0.000 . 905 183 131 PRO HA H 4.396 0.003 . 906 183 131 PRO HB2 H 1.474 0.013 . 907 183 131 PRO HB3 H 1.474 0.013 . 908 183 131 PRO CA C 60.670 0.000 . 909 183 131 PRO CB C 28.825 0.000 . 910 184 132 LEU H H 7.450 0.004 . 911 184 132 LEU HA H 3.862 0.007 . 912 184 132 LEU HB2 H 0.931 0.004 . 913 184 132 LEU HB3 H 1.614 0.003 . 914 184 132 LEU HD1 H 0.513 0.003 . 915 184 132 LEU HD2 H 0.596 0.008 . 916 184 132 LEU CA C 53.230 0.000 . 917 184 132 LEU CB C 40.411 0.000 . 918 184 132 LEU CD1 C 25.053 0.000 . 919 184 132 LEU CD2 C 22.370 0.000 . 920 184 132 LEU N N 121.200 0.000 . 921 185 133 ARG H H 8.376 0.005 . 922 185 133 ARG HA H 4.464 0.000 . 923 185 133 ARG N N 124.000 0.000 . 924 186 134 ALA H H 8.547 0.005 . 925 186 134 ALA HA H 3.541 0.003 . 926 186 134 ALA HB H 1.102 0.003 . 927 186 134 ALA CA C 54.006 0.096 . 928 186 134 ALA CB C 14.801 0.009 . 929 186 134 ALA N N 125.906 0.106 . 930 187 135 VAL H H 8.699 0.004 . 931 187 135 VAL HA H 2.954 0.006 . 932 187 135 VAL HB H 1.245 0.006 . 933 187 135 VAL HG1 H -0.216 0.002 . 934 187 135 VAL HG2 H 0.477 0.002 . 935 187 135 VAL CA C 60.592 0.072 . 936 187 135 VAL CB C 27.573 0.049 . 937 187 135 VAL CG1 C 17.938 0.008 . 938 187 135 VAL CG2 C 16.441 0.050 . 939 187 135 VAL N N 116.224 0.009 . 940 188 136 GLU H H 6.125 0.004 . 941 188 136 GLU HA H 3.587 0.010 . 942 188 136 GLU HB2 H 1.287 0.010 . 943 188 136 GLU HB3 H 1.287 0.010 . 944 188 136 GLU HG2 H 1.812 0.012 . 945 188 136 GLU HG3 H 1.890 0.010 . 946 188 136 GLU CA C 55.458 0.072 . 947 188 136 GLU CB C 26.318 0.032 . 948 188 136 GLU CG C 34.747 0.000 . 949 188 136 GLU N N 120.948 0.094 . 950 189 137 LEU H H 7.536 0.006 . 951 189 137 LEU HA H 3.699 0.007 . 952 189 137 LEU HB2 H 1.731 0.007 . 953 189 137 LEU HB3 H 1.731 0.007 . 954 189 137 LEU HD1 H 0.491 0.011 . 955 189 137 LEU HD2 H 0.516 0.008 . 956 189 137 LEU CA C 54.909 0.105 . 957 189 137 LEU CB C 38.017 0.000 . 958 189 137 LEU CD1 C 23.126 0.000 . 959 189 137 LEU CD2 C 25.036 0.000 . 960 189 137 LEU N N 119.955 0.056 . 961 190 138 ALA H H 8.121 0.006 . 962 190 138 ALA HA H 3.565 0.004 . 963 190 138 ALA HB H 1.351 0.002 . 964 190 138 ALA CA C 52.506 0.106 . 965 190 138 ALA CB C 15.577 0.011 . 966 190 138 ALA N N 118.791 0.027 . 967 191 139 MET H H 7.827 0.007 . 968 191 139 MET HA H 3.875 0.004 . 969 191 139 MET HB2 H 1.883 0.004 . 970 191 139 MET HB3 H 1.968 0.002 . 971 191 139 MET HG2 H 2.378 0.007 . 972 191 139 MET HG3 H 2.555 0.008 . 973 191 139 MET CA C 55.763 0.050 . 974 191 139 MET CB C 29.141 0.000 . 975 191 139 MET CG C 29.183 0.001 . 976 191 139 MET N N 116.393 0.084 . 977 192 140 ILE H H 8.189 0.004 . 978 192 140 ILE HA H 3.548 0.004 . 979 192 140 ILE HB H 1.619 0.003 . 980 192 140 ILE HG12 H 0.915 0.005 . 981 192 140 ILE HG13 H 0.951 0.005 . 982 192 140 ILE HG2 H 0.815 0.004 . 983 192 140 ILE HD1 H 0.549 0.007 . 984 192 140 ILE CA C 62.245 0.078 . 985 192 140 ILE CB C 36.148 0.000 . 986 192 140 ILE CG1 C 26.160 0.001 . 987 192 140 ILE CG2 C 14.425 0.036 . 988 192 140 ILE CD1 C 11.880 0.056 . 989 192 140 ILE N N 121.222 0.027 . 990 193 141 MET H H 7.632 0.005 . 991 193 141 MET HA H 4.331 0.001 . 992 193 141 MET HB2 H 2.182 0.005 . 993 193 141 MET HB3 H 2.182 0.005 . 994 193 141 MET HG2 H 2.608 0.006 . 995 193 141 MET HG3 H 2.655 0.005 . 996 193 141 MET CA C 54.085 0.069 . 997 193 141 MET CB C 28.849 0.000 . 998 193 141 MET CG C 31.438 0.018 . 999 193 141 MET N N 116.171 0.086 . 1000 194 142 ASP H H 8.802 0.007 . 1001 194 142 ASP HA H 4.231 0.003 . 1002 194 142 ASP HB2 H 2.400 0.004 . 1003 194 142 ASP HB3 H 2.520 0.005 . 1004 194 142 ASP CA C 55.322 0.046 . 1005 194 142 ASP CB C 40.060 0.000 . 1006 194 142 ASP N N 122.971 0.064 . 1007 195 143 ARG H H 7.796 0.004 . 1008 195 143 ARG HA H 3.933 0.004 . 1009 195 143 ARG HB2 H 1.836 0.002 . 1010 195 143 ARG HB3 H 1.836 0.002 . 1011 195 143 ARG HG2 H 1.565 0.006 . 1012 195 143 ARG HG3 H 1.565 0.006 . 1013 195 143 ARG HD2 H 3.098 0.002 . 1014 195 143 ARG HD3 H 3.098 0.002 . 1015 195 143 ARG CA C 55.770 0.093 . 1016 195 143 ARG CB C 27.078 0.046 . 1017 195 143 ARG CG C 26.280 0.001 . 1018 195 143 ARG CD C 40.600 0.150 . 1019 195 143 ARG N N 119.387 0.042 . 1020 196 144 LEU H H 7.176 0.004 . 1021 196 144 LEU HA H 3.764 0.005 . 1022 196 144 LEU HB2 H 1.158 0.004 . 1023 196 144 LEU HB3 H 1.158 0.004 . 1024 196 144 LEU HG H 1.443 0.008 . 1025 196 144 LEU HD1 H 0.585 0.002 . 1026 196 144 LEU HD2 H 0.651 0.002 . 1027 196 144 LEU CA C 54.450 0.046 . 1028 196 144 LEU CB C 39.829 0.001 . 1029 196 144 LEU CG C 23.386 0.000 . 1030 196 144 LEU CD1 C 19.346 0.000 . 1031 196 144 LEU CD2 C 22.469 0.000 . 1032 196 144 LEU N N 118.014 0.081 . 1033 197 145 TYR H H 7.941 0.004 . 1034 197 145 TYR HA H 4.784 0.005 . 1035 197 145 TYR HB2 H 2.742 0.004 . 1036 197 145 TYR HB3 H 3.305 0.002 . 1037 197 145 TYR HD1 H 7.007 0.001 . 1038 197 145 TYR HD2 H 7.007 0.001 . 1039 197 145 TYR HE1 H 6.563 0.002 . 1040 197 145 TYR HE2 H 6.563 0.002 . 1041 197 145 TYR CA C 55.120 0.000 . 1042 197 145 TYR CB C 39.360 0.000 . 1043 197 145 TYR CD2 C 133.100 0.000 . 1044 197 145 TYR CE2 C 119.200 0.000 . 1045 197 145 TYR N N 115.117 0.038 . 1046 198 146 GLY H H 8.070 0.004 . 1047 198 146 GLY HA2 H 4.106 0.002 . 1048 198 146 GLY HA3 H 4.184 0.001 . 1049 198 146 GLY CA C 41.330 0.000 . 1050 198 146 GLY N N 111.692 0.012 . 1051 199 147 GLY H H 7.755 0.007 . 1052 199 147 GLY HA2 H 3.806 0.002 . 1053 199 147 GLY HA3 H 3.869 0.007 . 1054 199 147 GLY CA C 44.419 0.140 . 1055 199 147 GLY N N 100.236 0.057 . 1056 200 148 VAL H H 8.087 0.005 . 1057 200 148 VAL HA H 3.694 0.004 . 1058 200 148 VAL HB H 1.949 0.005 . 1059 200 148 VAL HG1 H 0.623 0.011 . 1060 200 148 VAL HG2 H 0.689 0.006 . 1061 200 148 VAL CA C 61.621 0.088 . 1062 200 148 VAL CB C 29.141 0.000 . 1063 200 148 VAL CG1 C 18.922 0.000 . 1064 200 148 VAL CG2 C 19.914 0.000 . 1065 200 148 VAL N N 122.179 0.037 . 1066 201 149 CYS H H 9.177 0.006 . 1067 201 149 CYS HA H 4.943 0.003 . 1068 201 149 CYS HB2 H 2.737 0.003 . 1069 201 149 CYS HB3 H 3.269 0.003 . 1070 201 149 CYS CA C 53.821 0.026 . 1071 201 149 CYS CB C 26.777 0.049 . 1072 201 149 CYS N N 121.071 0.031 . 1073 202 150 TYR H H 7.748 0.012 . 1074 202 150 TYR HA H 5.190 0.033 . 1075 202 150 TYR HB2 H 3.346 0.030 . 1076 202 150 TYR HB3 H 3.346 0.030 . 1077 202 150 TYR HD1 H 6.546 0.004 . 1078 202 150 TYR HD2 H 6.546 0.004 . 1079 202 150 TYR HE1 H 6.418 0.002 . 1080 202 150 TYR HE2 H 6.418 0.002 . 1081 202 150 TYR CA C 54.430 0.000 . 1082 202 150 TYR CB C 39.657 0.000 . 1083 202 150 TYR CD1 C 132.700 0.000 . 1084 202 150 TYR CD2 C 132.700 0.000 . 1085 202 150 TYR CE1 C 117.727 0.028 . 1086 202 150 TYR CE2 C 117.727 0.028 . 1087 202 150 TYR N N 127.927 0.104 . 1088 203 151 ALA H H 8.135 0.006 . 1089 203 151 ALA HA H 4.668 0.007 . 1090 203 151 ALA HB H 1.112 0.007 . 1091 203 151 ALA CA C 47.838 0.000 . 1092 203 151 ALA CB C 20.030 0.000 . 1093 203 151 ALA N N 128.633 0.058 . 1094 204 152 GLY H H 8.798 0.008 . 1095 204 152 GLY HA2 H 3.685 0.008 . 1096 204 152 GLY HA3 H 4.817 0.024 . 1097 204 152 GLY CA C 41.300 0.000 . 1098 204 152 GLY N N 107.366 0.094 . 1099 205 153 ILE H H 8.882 0.000 . 1100 205 153 ILE HB H 1.959 0.003 . 1101 205 153 ILE HG12 H 1.102 0.000 . 1102 205 153 ILE HG13 H 1.102 0.000 . 1103 205 153 ILE HD1 H 0.776 0.006 . 1104 205 153 ILE CB C 36.207 0.000 . 1105 205 153 ILE CG1 C 14.500 0.000 . 1106 205 153 ILE CD1 C 13.963 0.000 . 1107 205 153 ILE N N 122.700 0.000 . 1108 206 154 ASP H H 8.765 0.003 . 1109 206 154 ASP HA H 4.524 0.001 . 1110 206 154 ASP HB2 H 2.341 0.006 . 1111 206 154 ASP HB3 H 2.395 0.009 . 1112 206 154 ASP CA C 51.810 0.000 . 1113 206 154 ASP CB C 37.485 0.000 . 1114 206 154 ASP N N 129.550 0.099 . 1115 207 155 THR H H 8.111 0.003 . 1116 207 155 THR HA H 4.678 0.000 . 1117 207 155 THR HB H 3.458 0.000 . 1118 207 155 THR HG2 H 0.746 0.004 . 1119 207 155 THR CB C 69.251 0.000 . 1120 207 155 THR CG2 C 17.576 0.000 . 1121 207 155 THR N N 113.305 0.012 . 1122 208 156 ASP H H 8.576 0.004 . 1123 208 156 ASP HA H 4.710 0.001 . 1124 208 156 ASP HB2 H 2.391 0.005 . 1125 208 156 ASP HB3 H 2.819 0.007 . 1126 208 156 ASP CA C 49.620 0.000 . 1127 208 156 ASP CB C 39.160 0.000 . 1128 208 156 ASP N N 123.334 0.058 . 1129 210 158 GLU H H 7.798 0.007 . 1130 210 158 GLU HA H 4.204 0.002 . 1131 210 158 GLU HB2 H 1.943 0.001 . 1132 210 158 GLU HB3 H 1.894 0.011 . 1133 210 158 GLU HG2 H 2.117 0.012 . 1134 210 158 GLU HG3 H 2.079 0.003 . 1135 210 158 GLU CA C 55.334 0.000 . 1136 210 158 GLU CB C 27.248 0.021 . 1137 210 158 GLU CG C 33.147 0.005 . 1138 210 158 GLU N N 118.451 0.000 . 1139 211 159 LEU H H 9.677 0.000 . 1140 211 159 LEU HA H 4.332 0.000 . 1141 211 159 LEU HG H 1.491 0.001 . 1142 211 159 LEU HD1 H 0.694 0.003 . 1143 211 159 LEU HD2 H 0.703 0.001 . 1144 211 159 LEU CA C 51.248 0.000 . 1145 211 159 LEU CG C 24.240 0.000 . 1146 211 159 LEU CD1 C 23.120 0.000 . 1147 211 159 LEU CD2 C 20.000 0.000 . 1148 211 159 LEU N N 119.247 0.000 . 1149 212 160 LYS H H 8.105 0.003 . 1150 212 160 LYS HA H 4.019 0.006 . 1151 212 160 LYS CA C 53.652 0.000 . 1152 212 160 LYS N N 120.800 0.000 . 1153 213 161 TYR H H 7.305 0.001 . 1154 213 161 TYR N N 118.900 0.000 . 1155 214 162 PRO HG2 H 0.181 0.000 . 1156 214 162 PRO HG3 H -0.382 0.009 . 1157 214 162 PRO HD2 H 0.913 0.002 . 1158 214 162 PRO HD3 H 0.443 0.003 . 1159 214 162 PRO CG C 22.840 0.020 . 1160 214 162 PRO CD C 46.144 0.123 . 1161 215 163 LYS H H 8.364 0.004 . 1162 215 163 LYS HA H 4.299 0.003 . 1163 215 163 LYS HB2 H 1.429 0.002 . 1164 215 163 LYS HB3 H 1.770 0.001 . 1165 215 163 LYS HG2 H 1.199 0.004 . 1166 215 163 LYS HG3 H 1.273 0.008 . 1167 215 163 LYS HE2 H 2.833 0.004 . 1168 215 163 LYS HE3 H 2.833 0.004 . 1169 215 163 LYS CA C 52.560 0.000 . 1170 215 163 LYS CG C 21.690 0.000 . 1171 215 163 LYS CE C 38.436 0.000 . 1172 215 163 LYS N N 119.800 0.000 . 1173 216 164 GLY H H 8.190 0.004 . 1174 216 164 GLY HA2 H 3.847 0.004 . 1175 216 164 GLY HA3 H 4.069 0.003 . 1176 216 164 GLY CA C 42.820 0.000 . 1177 216 164 GLY N N 109.618 0.041 . 1178 217 165 ALA H H 7.476 0.007 . 1179 217 165 ALA HA H 4.922 0.002 . 1180 217 165 ALA HB H 1.402 0.000 . 1181 217 165 ALA N N 121.816 0.024 . 1182 218 166 GLY H H 8.489 0.007 . 1183 218 166 GLY HA2 H 3.772 0.004 . 1184 218 166 GLY HA3 H 4.418 0.001 . 1185 218 166 GLY CA C 42.437 0.095 . 1186 218 166 GLY N N 107.137 0.010 . 1187 219 167 ARG H H 9.024 0.004 . 1188 219 167 ARG HA H 5.478 0.002 . 1189 219 167 ARG HB2 H 1.295 0.006 . 1190 219 167 ARG HB3 H 1.572 0.002 . 1191 219 167 ARG HG2 H 1.357 0.012 . 1192 219 167 ARG HG3 H 1.357 0.012 . 1193 219 167 ARG HD2 H 2.696 0.002 . 1194 219 167 ARG HD3 H 2.696 0.002 . 1195 219 167 ARG CA C 51.409 0.020 . 1196 219 167 ARG CB C 32.440 0.029 . 1197 219 167 ARG CG C 29.783 0.000 . 1198 219 167 ARG CD C 39.010 0.000 . 1199 219 167 ARG N N 119.609 0.010 . 1200 220 168 VAL H H 8.156 0.004 . 1201 220 168 VAL HA H 4.502 0.004 . 1202 220 168 VAL HG1 H 0.675 0.002 . 1203 220 168 VAL HG2 H 0.306 0.005 . 1204 220 168 VAL CA C 57.918 0.000 . 1205 220 168 VAL CG1 C 18.956 0.000 . 1206 220 168 VAL CG2 C 19.205 0.000 . 1207 220 168 VAL N N 119.200 0.000 . 1208 221 169 ALA H H 9.078 0.001 . 1209 221 169 ALA HA H 5.161 0.002 . 1210 221 169 ALA HB H 1.353 0.003 . 1211 221 169 ALA CA C 47.750 0.000 . 1212 221 169 ALA CB C 19.901 0.007 . 1213 221 169 ALA N N 130.527 0.055 . 1214 222 170 PHE H H 8.490 0.004 . 1215 222 170 PHE HA H 5.479 0.004 . 1216 222 170 PHE HB2 H 3.027 0.009 . 1217 222 170 PHE HB3 H 3.161 0.007 . 1218 222 170 PHE HD1 H 7.575 0.002 . 1219 222 170 PHE HD2 H 7.575 0.002 . 1220 222 170 PHE HE1 H 7.154 0.004 . 1221 222 170 PHE HE2 H 7.154 0.004 . 1222 222 170 PHE HZ H 6.808 0.013 . 1223 222 170 PHE CA C 53.880 0.000 . 1224 222 170 PHE CB C 40.178 0.000 . 1225 222 170 PHE CD2 C 132.900 0.000 . 1226 222 170 PHE CE2 C 132.500 0.000 . 1227 222 170 PHE CZ C 128.500 0.000 . 1228 222 170 PHE N N 121.051 0.072 . 1229 223 171 SER H H 10.068 0.003 . 1230 223 171 SER HA H 4.476 0.004 . 1231 223 171 SER HB2 H 3.545 0.004 . 1232 223 171 SER HB3 H 4.005 0.005 . 1233 223 171 SER CA C 54.827 0.094 . 1234 223 171 SER CB C 61.726 0.000 . 1235 223 171 SER N N 114.321 0.027 . 1236 224 172 ASN H H 7.305 0.004 . 1237 224 172 ASN HA H 4.953 0.003 . 1238 224 172 ASN HB2 H 2.702 0.001 . 1239 224 172 ASN HB3 H 2.798 0.001 . 1240 224 172 ASN HD21 H 7.745 0.001 . 1241 224 172 ASN HD22 H 6.970 0.000 . 1242 224 172 ASN CA C 49.240 0.000 . 1243 224 172 ASN N N 117.366 0.071 . 1244 224 172 ASN ND2 N 114.225 0.063 . 1245 225 173 GLN HE21 H 7.168 0.000 . 1246 225 173 GLN HE22 H 6.681 0.001 . 1247 225 173 GLN NE2 N 110.719 0.000 . 1248 226 174 GLN H H 8.208 0.080 . 1249 226 174 GLN HA H 3.862 0.004 . 1250 226 174 GLN HB2 H 2.016 0.003 . 1251 226 174 GLN HB3 H 2.155 0.004 . 1252 226 174 GLN HG2 H 2.331 0.005 . 1253 226 174 GLN HG3 H 2.381 0.016 . 1254 226 174 GLN HE21 H 7.476 0.001 . 1255 226 174 GLN HE22 H 6.778 0.000 . 1256 226 174 GLN CA C 57.061 0.094 . 1257 226 174 GLN CB C 24.752 0.014 . 1258 226 174 GLN CG C 31.723 0.059 . 1259 226 174 GLN N N 119.965 0.041 . 1260 226 174 GLN NE2 N 113.228 0.026 . 1261 227 175 SER H H 8.440 0.001 . 1262 227 175 SER HA H 3.903 0.007 . 1263 227 175 SER HB2 H 3.288 0.015 . 1264 227 175 SER HB3 H 3.288 0.015 . 1265 227 175 SER CA C 60.013 0.045 . 1266 227 175 SER CB C 60.731 0.001 . 1267 227 175 SER N N 120.310 0.056 . 1268 228 176 TYR H H 6.301 0.002 . 1269 228 176 TYR HA H 2.977 0.004 . 1270 228 176 TYR HB2 H 2.678 0.007 . 1271 228 176 TYR HB3 H 2.817 0.003 . 1272 228 176 TYR HD1 H 6.770 0.001 . 1273 228 176 TYR HD2 H 6.770 0.001 . 1274 228 176 TYR HE1 H 6.634 0.001 . 1275 228 176 TYR HE2 H 6.634 0.001 . 1276 228 176 TYR CA C 57.780 0.000 . 1277 228 176 TYR CB C 35.028 0.000 . 1278 228 176 TYR CD1 C 132.300 0.000 . 1279 228 176 TYR CE1 C 119.000 0.000 . 1280 228 176 TYR N N 119.894 0.067 . 1281 229 177 ILE H H 8.218 0.006 . 1282 229 177 ILE HA H 3.204 0.001 . 1283 229 177 ILE HB H 1.765 0.003 . 1284 229 177 ILE HG12 H 1.344 0.000 . 1285 229 177 ILE HG13 H 1.594 0.001 . 1286 229 177 ILE HG2 H 0.679 0.008 . 1287 229 177 ILE HD1 H 0.708 0.007 . 1288 229 177 ILE CA C 59.746 0.058 . 1289 229 177 ILE CB C 33.988 0.000 . 1290 229 177 ILE CG1 C 25.831 0.019 . 1291 229 177 ILE CG2 C 14.659 0.000 . 1292 229 177 ILE CD1 C 8.819 0.000 . 1293 229 177 ILE N N 118.643 0.055 . 1294 230 178 ALA H H 7.749 0.005 . 1295 230 178 ALA HA H 3.739 0.000 . 1296 230 178 ALA HB H 1.356 0.011 . 1297 230 178 ALA N N 125.700 0.000 . 1298 231 179 ALA H H 6.989 0.012 . 1299 231 179 ALA HA H 2.786 0.002 . 1300 231 179 ALA HB H 0.612 0.003 . 1301 231 179 ALA CA C 51.540 0.064 . 1302 231 179 ALA CB C 15.400 0.027 . 1303 231 179 ALA N N 121.943 0.038 . 1304 232 180 ILE H H 7.514 0.006 . 1305 232 180 ILE HA H 3.501 0.005 . 1306 232 180 ILE HB H 1.583 0.005 . 1307 232 180 ILE HG12 H 0.696 0.003 . 1308 232 180 ILE HG13 H 0.777 0.002 . 1309 232 180 ILE HG2 H 0.331 0.009 . 1310 232 180 ILE HD1 H 0.397 0.007 . 1311 232 180 ILE CA C 59.987 0.053 . 1312 232 180 ILE CB C 34.285 0.085 . 1313 232 180 ILE CG1 C 22.639 0.000 . 1314 232 180 ILE CG2 C 15.307 0.000 . 1315 232 180 ILE CD1 C 9.808 0.000 . 1316 232 180 ILE N N 111.341 0.031 . 1317 233 181 SER H H 7.786 0.003 . 1318 233 181 SER HA H 4.007 0.002 . 1319 233 181 SER HB2 H 3.737 0.007 . 1320 233 181 SER HB3 H 3.779 0.007 . 1321 233 181 SER CA C 57.955 0.058 . 1322 233 181 SER CB C 60.090 0.000 . 1323 233 181 SER N N 117.067 0.048 . 1324 234 182 ALA H H 7.058 0.009 . 1325 234 182 ALA HA H 4.218 0.002 . 1326 234 182 ALA HB H 1.378 0.001 . 1327 234 182 ALA CA C 50.332 0.051 . 1328 234 182 ALA CB C 16.181 0.007 . 1329 234 182 ALA N N 125.212 0.056 . 1330 235 183 ARG H H 7.294 0.004 . 1331 235 183 ARG HA H 3.657 0.003 . 1332 235 183 ARG HB2 H 1.714 0.008 . 1333 235 183 ARG HB3 H 1.826 0.001 . 1334 235 183 ARG HG2 H 1.397 0.009 . 1335 235 183 ARG HG3 H 1.397 0.009 . 1336 235 183 ARG HD2 H 2.965 0.004 . 1337 235 183 ARG HD3 H 3.086 0.004 . 1338 235 183 ARG CA C 57.898 0.023 . 1339 235 183 ARG CB C 26.803 0.008 . 1340 235 183 ARG CG C 24.470 0.000 . 1341 235 183 ARG CD C 40.470 0.000 . 1342 235 183 ARG N N 115.145 0.040 . 1343 236 184 PHE H H 8.324 0.005 . 1344 236 184 PHE HA H 5.560 0.001 . 1345 236 184 PHE HB2 H 2.708 0.005 . 1346 236 184 PHE HB3 H 2.794 0.005 . 1347 236 184 PHE HD1 H 7.069 0.001 . 1348 236 184 PHE HD2 H 7.069 0.001 . 1349 236 184 PHE HE1 H 7.198 0.003 . 1350 236 184 PHE HE2 H 7.198 0.003 . 1351 236 184 PHE HZ H 7.141 0.004 . 1352 236 184 PHE CA C 53.134 0.026 . 1353 236 184 PHE CB C 38.926 0.050 . 1354 236 184 PHE CD1 C 132.288 0.027 . 1355 236 184 PHE CE1 C 131.100 0.000 . 1356 236 184 PHE CZ C 129.700 0.000 . 1357 236 184 PHE N N 117.855 0.032 . 1358 237 185 VAL H H 8.651 0.003 . 1359 237 185 VAL HA H 4.219 0.002 . 1360 237 185 VAL HB H 1.684 0.005 . 1361 237 185 VAL HG1 H 0.811 0.002 . 1362 237 185 VAL HG2 H 0.701 0.006 . 1363 237 185 VAL CA C 57.420 0.000 . 1364 237 185 VAL CB C 32.989 0.037 . 1365 237 185 VAL CG1 C 18.758 0.032 . 1366 237 185 VAL CG2 C 18.069 0.030 . 1367 237 185 VAL N N 121.353 0.048 . 1368 238 186 GLN H H 8.521 0.007 . 1369 238 186 GLN HA H 4.313 0.002 . 1370 238 186 GLN HB2 H 1.810 0.012 . 1371 238 186 GLN HB3 H 1.939 0.001 . 1372 238 186 GLN HG2 H 1.958 0.021 . 1373 238 186 GLN HG3 H 2.184 0.002 . 1374 238 186 GLN HE21 H 7.716 0.000 . 1375 238 186 GLN HE22 H 6.317 0.000 . 1376 238 186 GLN CA C 51.860 0.000 . 1377 238 186 GLN CB C 25.171 0.028 . 1378 238 186 GLN CG C 29.862 0.041 . 1379 238 186 GLN N N 127.520 0.076 . 1380 238 186 GLN NE2 N 111.701 0.018 . 1381 239 187 LEU H H 8.990 0.010 . 1382 239 187 LEU HA H 4.196 0.005 . 1383 239 187 LEU HB2 H 1.256 0.002 . 1384 239 187 LEU HB3 H 1.695 0.007 . 1385 239 187 LEU HG H 1.617 0.016 . 1386 239 187 LEU HD1 H 0.548 0.007 . 1387 239 187 LEU HD2 H 0.570 0.006 . 1388 239 187 LEU CA C 51.580 0.000 . 1389 239 187 LEU CB C 39.241 0.006 . 1390 239 187 LEU CG C 23.675 0.114 . 1391 239 187 LEU CD1 C 20.533 0.041 . 1392 239 187 LEU CD2 C 24.041 0.098 . 1393 239 187 LEU N N 129.257 0.081 . 1394 240 188 GLN H H 7.821 0.004 . 1395 240 188 GLN HA H 5.048 0.006 . 1396 240 188 GLN HB2 H 1.798 0.007 . 1397 240 188 GLN HB3 H 1.852 0.011 . 1398 240 188 GLN HG2 H 2.006 0.004 . 1399 240 188 GLN HG3 H 2.163 0.003 . 1400 240 188 GLN HE21 H 7.562 0.000 . 1401 240 188 GLN HE22 H 6.563 0.001 . 1402 240 188 GLN CA C 51.548 0.039 . 1403 240 188 GLN CB C 27.620 0.000 . 1404 240 188 GLN CG C 31.252 0.021 . 1405 240 188 GLN N N 123.621 0.095 . 1406 240 188 GLN NE2 N 113.683 0.014 . 1407 241 189 HIS H H 8.327 0.005 . 1408 241 189 HIS HA H 4.385 0.010 . 1409 241 189 HIS HB2 H 2.539 0.003 . 1410 241 189 HIS HB3 H 2.780 0.003 . 1411 241 189 HIS HD2 H 6.588 0.002 . 1412 241 189 HIS HE1 H 7.500 0.003 . 1413 241 189 HIS CA C 53.950 0.000 . 1414 241 189 HIS CB C 29.706 0.023 . 1415 241 189 HIS CD2 C 118.800 0.000 . 1416 241 189 HIS CE1 C 138.695 0.000 . 1417 241 189 HIS N N 125.123 0.046 . 1418 244 192 ILE H H 8.075 0.003 . 1419 244 192 ILE HA H 3.813 0.010 . 1420 244 192 ILE HB H 2.024 0.011 . 1421 244 192 ILE HG12 H 1.029 0.004 . 1422 244 192 ILE HG13 H 1.456 0.007 . 1423 244 192 ILE HG2 H 0.702 0.005 . 1424 244 192 ILE HD1 H 0.659 0.009 . 1425 244 192 ILE CA C 58.200 0.000 . 1426 244 192 ILE CB C 35.039 0.000 . 1427 244 192 ILE CG1 C 24.764 0.003 . 1428 244 192 ILE CG2 C 14.717 0.000 . 1429 244 192 ILE CD1 C 10.396 0.000 . 1430 244 192 ILE N N 122.800 0.000 . 1431 245 193 ASP H H 8.231 0.002 . 1432 245 193 ASP HA H 5.132 0.004 . 1433 245 193 ASP HB2 H 2.366 0.007 . 1434 245 193 ASP HB3 H 2.607 0.002 . 1435 245 193 ASP CA C 50.628 0.061 . 1436 245 193 ASP CB C 38.310 0.000 . 1437 245 193 ASP N N 129.002 0.009 . 1438 246 194 LYS H H 8.498 0.005 . 1439 246 194 LYS HA H 4.475 0.004 . 1440 246 194 LYS HB2 H 1.476 0.002 . 1441 246 194 LYS HB3 H 1.604 0.005 . 1442 246 194 LYS HG2 H 1.278 0.009 . 1443 246 194 LYS HG3 H 1.278 0.009 . 1444 246 194 LYS HD2 H 1.753 0.004 . 1445 246 194 LYS HD3 H 1.794 0.001 . 1446 246 194 LYS HE2 H 2.975 0.004 . 1447 246 194 LYS HE3 H 2.975 0.004 . 1448 246 194 LYS CA C 51.812 0.000 . 1449 246 194 LYS CB C 33.996 0.013 . 1450 246 194 LYS CG C 21.610 0.000 . 1451 246 194 LYS CD C 27.010 0.029 . 1452 246 194 LYS CE C 39.318 0.000 . 1453 246 194 LYS N N 125.106 0.011 . 1454 247 195 ARG H H 8.446 0.007 . 1455 247 195 ARG HA H 4.716 0.006 . 1456 247 195 ARG HB2 H 1.643 0.005 . 1457 247 195 ARG HB3 H 1.714 0.004 . 1458 247 195 ARG HG2 H 1.349 0.002 . 1459 247 195 ARG HG3 H 1.434 0.007 . 1460 247 195 ARG HD2 H 2.818 0.004 . 1461 247 195 ARG HD3 H 2.818 0.004 . 1462 247 195 ARG CA C 53.080 0.000 . 1463 247 195 ARG CB C 28.187 0.000 . 1464 247 195 ARG CG C 24.593 0.019 . 1465 247 195 ARG CD C 39.363 0.000 . 1466 247 195 ARG N N 128.309 0.016 . 1467 248 196 VAL H H 9.013 0.006 . 1468 248 196 VAL HA H 4.810 0.011 . 1469 248 196 VAL HB H 2.262 0.007 . 1470 248 196 VAL HG1 H 0.567 0.003 . 1471 248 196 VAL HG2 H 0.604 0.005 . 1472 248 196 VAL CA C 56.320 0.000 . 1473 248 196 VAL CB C 30.494 0.000 . 1474 248 196 VAL CG1 C 15.879 0.000 . 1475 248 196 VAL CG2 C 19.001 0.000 . 1476 248 196 VAL N N 121.880 0.028 . 1477 249 197 GLU H H 8.071 0.009 . 1478 249 197 GLU HA H 4.421 0.004 . 1479 249 197 GLU HB2 H 1.791 0.004 . 1480 249 197 GLU HB3 H 1.874 0.001 . 1481 249 197 GLU HG2 H 2.433 0.002 . 1482 249 197 GLU HG3 H 2.567 0.005 . 1483 249 197 GLU CA C 51.500 0.000 . 1484 249 197 GLU CB C 29.500 0.000 . 1485 249 197 GLU CG C 37.915 0.000 . 1486 249 197 GLU N N 122.036 0.088 . 1487 250 198 VAL H H 8.864 0.006 . 1488 250 198 VAL HA H 5.013 0.004 . 1489 250 198 VAL HB H 1.774 0.003 . 1490 250 198 VAL HG1 H 0.686 0.004 . 1491 250 198 VAL HG2 H 0.643 0.003 . 1492 250 198 VAL CA C 57.420 0.000 . 1493 250 198 VAL CB C 31.083 0.000 . 1494 250 198 VAL CG1 C 17.785 0.000 . 1495 250 198 VAL CG2 C 20.132 0.000 . 1496 250 198 VAL N N 124.823 0.045 . 1497 251 199 LYS H H 8.793 0.003 . 1498 251 199 LYS HA H 4.856 0.002 . 1499 251 199 LYS HB2 H 1.650 0.004 . 1500 251 199 LYS HB3 H 1.874 0.001 . 1501 251 199 LYS HG2 H 1.330 0.004 . 1502 251 199 LYS HG3 H 1.382 0.004 . 1503 251 199 LYS HD2 H 1.516 0.004 . 1504 251 199 LYS HD3 H 1.548 0.003 . 1505 251 199 LYS HE2 H 2.699 0.004 . 1506 251 199 LYS HE3 H 2.699 0.004 . 1507 251 199 LYS CA C 50.475 0.042 . 1508 251 199 LYS CB C 31.807 0.000 . 1509 251 199 LYS CG C 21.445 0.000 . 1510 251 199 LYS CD C 26.558 0.000 . 1511 251 199 LYS CE C 39.092 0.000 . 1512 251 199 LYS N N 124.108 0.023 . 1513 253 201 TYR H H 8.458 0.001 . 1514 253 201 TYR HA H 4.292 0.008 . 1515 253 201 TYR HB2 H 2.677 0.007 . 1516 253 201 TYR HB3 H 2.883 0.020 . 1517 253 201 TYR HD1 H 6.899 0.004 . 1518 253 201 TYR HD2 H 6.899 0.004 . 1519 253 201 TYR HE1 H 6.736 0.003 . 1520 253 201 TYR HE2 H 6.736 0.003 . 1521 253 201 TYR CA C 56.520 0.000 . 1522 253 201 TYR CB C 36.872 0.000 . 1523 253 201 TYR CD1 C 132.500 0.000 . 1524 253 201 TYR CE1 C 118.200 0.000 . 1525 253 201 TYR N N 125.100 0.000 . 1526 254 202 VAL H H 8.066 0.008 . 1527 254 202 VAL HA H 3.854 0.001 . 1528 254 202 VAL CA C 58.223 0.047 . 1529 254 202 VAL N N 119.803 0.007 . 1530 255 203 LEU H H 7.998 0.000 . stop_ save_