data_11061 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the monomeric form of mouse APOBEC2 ; _BMRB_accession_number 11061 _BMRB_flat_file_name bmr11061.str _Entry_type original _Submission_date 2008-12-16 _Accession_date 2008-12-17 _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 Hayashi Fumiaki . . 2 Nagata Takashi . . 3 Nagashima Toshio . . 4 Muto Yutaka . . 5 Inoue Makoto . . 6 Kigawa Takanori . . 7 Yokoyama Shigeyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1171 "13C chemical shifts" 837 "15N chemical shifts" 183 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 original author . stop_ _Original_release_date 2010-03-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title . _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hayashi Fumiaki . . 2 Umehara Takashi . . 3 Kigawa Takanori . . 4 Yokoyama Shigeyuki . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name APOBEC2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TRIS $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common APOBEC2 _Molecular_mass 21856.842 _Mol_thiol_state 'free and other bound' _Details 'GSSGSSG at the N-terminus and SGPSSG at the C-terminus are expression tags.' ############################## # Polymer residue sequence # ############################## _Residue_count 192 _Mol_residue_sequence ; GSSGSSGRLPVNFFKFQFRN VEYSSGRNKTFLCYVVEVQS KGGQAQATQGYLEDEHAGAH AEEAFFNTILPAFDPALKYN VTWYVSSSPCAACADRILKT LSKTKNLRLLILVSRLFMWE EPEVQAALKKLKEAGCKLRI MKPQDFEYIWQNFVEQEEGE SKAFEPWEDIQENFLYYEEK LADILKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 LEU 10 PRO 11 VAL 12 ASN 13 PHE 14 PHE 15 LYS 16 PHE 17 GLN 18 PHE 19 ARG 20 ASN 21 VAL 22 GLU 23 TYR 24 SER 25 SER 26 GLY 27 ARG 28 ASN 29 LYS 30 THR 31 PHE 32 LEU 33 CYS 34 TYR 35 VAL 36 VAL 37 GLU 38 VAL 39 GLN 40 SER 41 LYS 42 GLY 43 GLY 44 GLN 45 ALA 46 GLN 47 ALA 48 THR 49 GLN 50 GLY 51 TYR 52 LEU 53 GLU 54 ASP 55 GLU 56 HIS 57 ALA 58 GLY 59 ALA 60 HIS 61 ALA 62 GLU 63 GLU 64 ALA 65 PHE 66 PHE 67 ASN 68 THR 69 ILE 70 LEU 71 PRO 72 ALA 73 PHE 74 ASP 75 PRO 76 ALA 77 LEU 78 LYS 79 TYR 80 ASN 81 VAL 82 THR 83 TRP 84 TYR 85 VAL 86 SER 87 SER 88 SER 89 PRO 90 CYS 91 ALA 92 ALA 93 CYS 94 ALA 95 ASP 96 ARG 97 ILE 98 LEU 99 LYS 100 THR 101 LEU 102 SER 103 LYS 104 THR 105 LYS 106 ASN 107 LEU 108 ARG 109 LEU 110 LEU 111 ILE 112 LEU 113 VAL 114 SER 115 ARG 116 LEU 117 PHE 118 MET 119 TRP 120 GLU 121 GLU 122 PRO 123 GLU 124 VAL 125 GLN 126 ALA 127 ALA 128 LEU 129 LYS 130 LYS 131 LEU 132 LYS 133 GLU 134 ALA 135 GLY 136 CYS 137 LYS 138 LEU 139 ARG 140 ILE 141 MET 142 LYS 143 PRO 144 GLN 145 ASP 146 PHE 147 GLU 148 TYR 149 ILE 150 TRP 151 GLN 152 ASN 153 PHE 154 VAL 155 GLU 156 GLN 157 GLU 158 GLU 159 GLY 160 GLU 161 SER 162 LYS 163 ALA 164 PHE 165 GLU 166 PRO 167 TRP 168 GLU 169 ASP 170 ILE 171 GLN 172 GLU 173 ASN 174 PHE 175 LEU 176 TYR 177 TYR 178 GLU 179 GLU 180 LYS 181 LEU 182 ALA 183 ASP 184 ILE 185 LEU 186 LYS 187 SER 188 GLY 189 PRO 190 SER 191 SER 192 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 2RPZ "Solution Structure Of The Monomeric Form Of Mouse Apobec2" 100.00 192 100.00 100.00 1.51e-138 GB AAD45361 "APOBEC-2 protein [Mus musculus]" 93.23 224 100.00 100.00 1.80e-128 GB AAH27530 "Apolipoprotein B mRNA editing enzyme, catalytic polypeptide 2 [Mus musculus]" 93.23 224 100.00 100.00 1.80e-128 GB AAI68177 "Apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 2 [Rattus norvegicus]" 93.23 224 98.32 98.88 9.63e-127 GB EDL23623 "apolipoprotein B editing complex 2, isoform CRA_b [Mus musculus]" 93.23 224 100.00 100.00 1.80e-128 GB EDM18937 "apolipoprotein B editing complex 2 (predicted), isoform CRA_a [Rattus norvegicus]" 93.23 224 98.32 98.88 9.63e-127 REF NP_001100353 "probable C->U-editing enzyme APOBEC-2 [Rattus norvegicus]" 93.23 224 98.32 98.88 9.63e-127 REF NP_033824 "C->U-editing enzyme APOBEC-2 [Mus musculus]" 93.23 224 100.00 100.00 1.80e-128 REF XP_003511809 "PREDICTED: probable C->U-editing enzyme APOBEC-2 [Cricetulus griseus]" 93.23 224 97.21 97.77 8.30e-125 REF XP_007637965 "PREDICTED: probable C->U-editing enzyme APOBEC-2 [Cricetulus griseus]" 93.23 224 97.21 97.77 8.30e-125 SP Q9WV35 "RecName: Full=C->U-editing enzyme APOBEC-2; AltName: Full=mRNA(cytosine(6666)) deaminase 2" 93.23 224 100.00 100.00 1.80e-128 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass "65.380 (65.409)" _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P021021-43 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_1 1.25 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] DTT 1 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $ZN 100 uM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version 6.1c loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address 'Kobayashi, Iwahara, Koshiba, Tomizawa, Tochio, Kigawa, and Yokoyama' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHAHN_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHAHN' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HBHAHN' '3D HCCH-TOCSY' '3D (H)CCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TRIS _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 5 5 SER H H 8.331 0.03 1 2 5 5 SER HA H 4.578 0.03 1 3 5 5 SER HB2 H 3.936 0.03 2 4 5 5 SER HB3 H 3.882 0.03 2 5 5 5 SER C C 175.028 0.3 1 6 5 5 SER CA C 58.531 0.3 1 7 5 5 SER CB C 64.123 0.3 1 8 5 5 SER N N 115.929 0.3 1 9 6 6 SER H H 8.615 0.03 1 10 6 6 SER HA H 4.529 0.03 1 11 6 6 SER HB2 H 3.977 0.03 1 12 6 6 SER HB3 H 3.977 0.03 1 13 6 6 SER C C 175.303 0.3 1 14 6 6 SER CA C 58.886 0.3 1 15 6 6 SER CB C 64.123 0.3 1 16 6 6 SER N N 118.301 0.3 1 17 7 7 GLY H H 8.555 0.03 1 18 7 7 GLY HA2 H 4.111 0.03 1 19 7 7 GLY HA3 H 4.111 0.03 1 20 7 7 GLY C C 173.741 0.3 1 21 7 7 GLY CA C 46.062 0.3 1 22 7 7 GLY N N 110.611 0.3 1 23 8 8 ARG H H 8.084 0.03 1 24 8 8 ARG HA H 4.620 0.03 1 25 8 8 ARG HB2 H 1.523 0.03 2 26 8 8 ARG HB3 H 1.405 0.03 2 27 8 8 ARG HD2 H 2.857 0.03 2 28 8 8 ARG HD3 H 2.756 0.03 2 29 8 8 ARG HG2 H 1.573 0.03 2 30 8 8 ARG HG3 H 1.227 0.03 2 31 8 8 ARG C C 174.935 0.3 1 32 8 8 ARG CA C 54.969 0.3 1 33 8 8 ARG CB C 33.235 0.3 1 34 8 8 ARG CD C 43.358 0.3 1 35 8 8 ARG CG C 28.317 0.3 1 36 8 8 ARG N N 118.913 0.3 1 37 9 9 LEU H H 8.637 0.03 1 38 9 9 LEU HA H 4.133 0.03 1 39 9 9 LEU HB2 H 1.004 0.03 2 40 9 9 LEU HB3 H 1.213 0.03 2 41 9 9 LEU HD1 H 0.465 0.03 1 42 9 9 LEU HD2 H 0.430 0.03 1 43 9 9 LEU HG H 1.382 0.03 1 44 9 9 LEU C C 174.257 0.3 1 45 9 9 LEU CA C 52.710 0.3 1 46 9 9 LEU CB C 43.479 0.3 1 47 9 9 LEU CD1 C 25.722 0.3 2 48 9 9 LEU CD2 C 26.491 0.3 2 49 9 9 LEU CG C 26.363 0.3 1 50 9 9 LEU N N 123.284 0.3 1 51 10 10 PRO HA H 4.469 0.03 1 52 10 10 PRO HB2 H 2.364 0.03 2 53 10 10 PRO HB3 H 1.550 0.03 2 54 10 10 PRO HD2 H 4.236 0.03 2 55 10 10 PRO HD3 H 3.386 0.03 2 56 10 10 PRO HG2 H 1.943 0.03 2 57 10 10 PRO HG3 H 1.835 0.03 2 58 10 10 PRO C C 178.073 0.3 1 59 10 10 PRO CA C 63.265 0.3 1 60 10 10 PRO CB C 32.926 0.3 1 61 10 10 PRO CD C 51.366 0.3 1 62 10 10 PRO CG C 28.087 0.3 1 63 11 11 VAL H H 8.539 0.03 1 64 11 11 VAL HA H 3.625 0.03 1 65 11 11 VAL HB H 2.081 0.03 1 66 11 11 VAL HG1 H 1.132 0.03 1 67 11 11 VAL HG2 H 1.199 0.03 1 68 11 11 VAL C C 177.507 0.3 1 69 11 11 VAL CA C 66.721 0.3 1 70 11 11 VAL CB C 32.128 0.3 1 71 11 11 VAL CG1 C 23.416 0.3 2 72 11 11 VAL CG2 C 20.726 0.3 2 73 11 11 VAL N N 124.077 0.3 1 74 12 12 ASN H H 9.020 0.03 1 75 12 12 ASN HA H 4.518 0.03 1 76 12 12 ASN HB2 H 2.781 0.03 1 77 12 12 ASN HB3 H 2.781 0.03 1 78 12 12 ASN HD21 H 7.527 0.03 2 79 12 12 ASN HD22 H 6.686 0.03 2 80 12 12 ASN C C 178.176 0.3 1 81 12 12 ASN CA C 56.459 0.3 1 82 12 12 ASN CB C 37.116 0.3 1 83 12 12 ASN N N 116.943 0.3 1 84 12 12 ASN ND2 N 112.191 0.3 1 85 13 13 PHE H H 7.223 0.03 1 86 13 13 PHE HA H 4.749 0.03 1 87 13 13 PHE HB2 H 3.006 0.03 2 88 13 13 PHE HB3 H 2.638 0.03 2 89 13 13 PHE HD1 H 7.197 0.03 1 90 13 13 PHE HD2 H 7.197 0.03 1 91 13 13 PHE HE1 H 7.552 0.03 1 92 13 13 PHE HE2 H 7.552 0.03 1 93 13 13 PHE HZ H 7.459 0.03 1 94 13 13 PHE C C 177.906 0.3 1 95 13 13 PHE CA C 58.298 0.3 1 96 13 13 PHE CB C 37.832 0.3 1 97 13 13 PHE CD1 C 130.524 0.3 1 98 13 13 PHE CD2 C 130.524 0.3 1 99 13 13 PHE CE1 C 131.963 0.3 1 100 13 13 PHE CE2 C 131.963 0.3 1 101 13 13 PHE CZ C 130.395 0.3 1 102 13 13 PHE N N 118.643 0.3 1 103 14 14 PHE H H 8.003 0.03 1 104 14 14 PHE HA H 4.195 0.03 1 105 14 14 PHE HB2 H 2.983 0.03 2 106 14 14 PHE HB3 H 3.497 0.03 2 107 14 14 PHE HD1 H 7.146 0.03 1 108 14 14 PHE HD2 H 7.146 0.03 1 109 14 14 PHE HE1 H 7.425 0.03 1 110 14 14 PHE HE2 H 7.425 0.03 1 111 14 14 PHE C C 176.219 0.3 1 112 14 14 PHE CA C 62.189 0.3 1 113 14 14 PHE CB C 39.559 0.3 1 114 14 14 PHE CD1 C 132.190 0.3 1 115 14 14 PHE CD2 C 132.190 0.3 1 116 14 14 PHE CZ C 129.447 0.3 1 117 14 14 PHE N N 119.635 0.3 1 118 15 15 LYS H H 8.692 0.03 1 119 15 15 LYS HA H 3.677 0.03 1 120 15 15 LYS HB2 H 1.892 0.03 1 121 15 15 LYS HB3 H 1.892 0.03 1 122 15 15 LYS HD2 H 1.837 0.03 2 123 15 15 LYS HD3 H 1.798 0.03 2 124 15 15 LYS HE2 H 3.003 0.03 1 125 15 15 LYS HE3 H 3.003 0.03 1 126 15 15 LYS HG2 H 2.001 0.03 2 127 15 15 LYS HG3 H 1.543 0.03 2 128 15 15 LYS CA C 60.170 0.3 1 129 15 15 LYS CB C 33.060 0.3 1 130 15 15 LYS CD C 30.026 0.3 1 131 15 15 LYS CE C 42.178 0.3 1 132 15 15 LYS CG C 26.916 0.3 1 133 15 15 LYS N N 115.811 0.3 1 134 16 16 PHE H H 7.686 0.03 1 135 16 16 PHE HA H 4.561 0.03 1 136 16 16 PHE HB2 H 3.270 0.03 2 137 16 16 PHE HB3 H 3.059 0.03 2 138 16 16 PHE HD1 H 7.239 0.03 1 139 16 16 PHE HD2 H 7.239 0.03 1 140 16 16 PHE HE1 H 7.290 0.03 1 141 16 16 PHE HE2 H 7.290 0.03 1 142 16 16 PHE HZ H 7.237 0.03 1 143 16 16 PHE CA C 59.781 0.3 1 144 16 16 PHE CB C 40.283 0.3 1 145 16 16 PHE CD1 C 131.600 0.3 1 146 16 16 PHE CD2 C 131.600 0.3 1 147 16 16 PHE CE1 C 131.553 0.3 1 148 16 16 PHE CE2 C 131.553 0.3 1 149 16 16 PHE CZ C 129.896 0.3 1 150 16 16 PHE N N 113.689 0.3 1 151 17 17 GLN H H 8.273 0.03 1 152 17 17 GLN HA H 4.131 0.03 1 153 17 17 GLN HB2 H 1.890 0.03 2 154 17 17 GLN HB3 H 1.819 0.03 2 155 17 17 GLN HE21 H 7.345 0.03 2 156 17 17 GLN HE22 H 6.931 0.03 2 157 17 17 GLN HG2 H 2.362 0.03 2 158 17 17 GLN HG3 H 1.998 0.03 2 159 17 17 GLN CA C 57.765 0.3 1 160 17 17 GLN CB C 28.429 0.3 1 161 17 17 GLN CG C 33.048 0.3 1 162 17 17 GLN NE2 N 109.771 0.3 1 163 18 18 PHE H H 7.941 0.03 1 164 18 18 PHE HA H 4.258 0.03 1 165 18 18 PHE HB2 H 3.098 0.03 2 166 18 18 PHE HB3 H 2.845 0.03 2 167 18 18 PHE HD1 H 7.212 0.03 1 168 18 18 PHE HD2 H 7.212 0.03 1 169 18 18 PHE HE1 H 7.066 0.03 1 170 18 18 PHE HE2 H 7.066 0.03 1 171 18 18 PHE HZ H 7.215 0.03 1 172 18 18 PHE CA C 59.753 0.3 1 173 18 18 PHE CB C 40.382 0.3 1 174 18 18 PHE CD1 C 130.734 0.3 1 175 18 18 PHE CD2 C 130.734 0.3 1 176 18 18 PHE N N 114.562 0.3 1 177 19 19 ARG H H 6.387 0.03 1 178 19 19 ARG HB2 H 1.028 0.03 2 179 19 19 ARG HB3 H 0.933 0.03 2 180 19 19 ARG HD2 H 2.407 0.03 2 181 19 19 ARG HD3 H 2.280 0.03 2 182 19 19 ARG HG3 H 0.610 0.03 2 183 19 19 ARG CB C 29.663 0.3 1 184 19 19 ARG CD C 43.418 0.3 1 185 19 19 ARG CG C 26.544 0.3 1 186 20 20 ASN H H 8.762 0.03 1 187 20 20 ASN HA H 5.054 0.03 1 188 20 20 ASN HB2 H 3.158 0.03 2 189 20 20 ASN HB3 H 2.749 0.03 2 190 20 20 ASN CA C 53.663 0.3 1 191 20 20 ASN CB C 39.013 0.3 1 192 21 21 VAL H H 8.796 0.03 1 193 21 21 VAL HA H 4.082 0.03 1 194 21 21 VAL HB H 1.877 0.03 1 195 21 21 VAL HG1 H 0.711 0.03 1 196 21 21 VAL HG2 H 0.626 0.03 1 197 21 21 VAL CA C 61.188 0.3 1 198 21 21 VAL CB C 33.265 0.3 1 199 21 21 VAL CG1 C 21.733 0.3 2 200 21 21 VAL CG2 C 19.659 0.3 2 201 22 22 GLU H H 8.776 0.03 1 202 22 22 GLU HA H 4.038 0.03 1 203 22 22 GLU HB2 H 1.777 0.03 2 204 22 22 GLU HB3 H 1.726 0.03 2 205 22 22 GLU HG2 H 2.101 0.03 2 206 22 22 GLU HG3 H 1.877 0.03 2 207 22 22 GLU CA C 57.611 0.3 1 208 22 22 GLU CB C 29.928 0.3 1 209 22 22 GLU CG C 35.694 0.3 1 210 23 23 TYR H H 7.755 0.03 1 211 23 23 TYR HA H 4.814 0.03 1 212 23 23 TYR HB2 H 3.062 0.03 2 213 23 23 TYR HB3 H 3.009 0.03 2 214 23 23 TYR HD1 H 7.092 0.03 1 215 23 23 TYR HD2 H 7.092 0.03 1 216 23 23 TYR HE1 H 6.773 0.03 1 217 23 23 TYR HE2 H 6.773 0.03 1 218 23 23 TYR CA C 56.909 0.3 1 219 23 23 TYR CB C 39.563 0.3 1 220 23 23 TYR CD1 C 133.379 0.3 1 221 23 23 TYR CD2 C 133.379 0.3 1 222 23 23 TYR CE1 C 118.357 0.3 1 223 23 23 TYR CE2 C 118.357 0.3 1 224 24 24 SER HA H 4.392 0.03 1 225 24 24 SER HB2 H 3.931 0.03 2 226 24 24 SER HB3 H 3.890 0.03 2 227 24 24 SER C C 174.561 0.3 1 228 24 24 SER CA C 58.906 0.3 1 229 24 24 SER CB C 64.022 0.3 1 230 25 25 SER H H 8.171 0.03 1 231 25 25 SER HA H 4.447 0.03 1 232 25 25 SER HB2 H 3.897 0.03 1 233 25 25 SER HB3 H 3.897 0.03 1 234 25 25 SER C C 175.015 0.3 1 235 25 25 SER CA C 58.786 0.3 1 236 25 25 SER CB C 63.954 0.3 1 237 25 25 SER N N 117.489 0.3 1 238 26 26 GLY H H 8.501 0.03 1 239 26 26 GLY HA2 H 3.941 0.03 2 240 26 26 GLY HA3 H 4.141 0.03 2 241 26 26 GLY C C 173.926 0.3 1 242 26 26 GLY CA C 45.536 0.3 1 243 26 26 GLY N N 110.967 0.3 1 244 27 27 ARG H H 8.024 0.03 1 245 27 27 ARG HA H 4.419 0.03 1 246 27 27 ARG HB2 H 1.626 0.03 2 247 27 27 ARG HB3 H 1.824 0.03 2 248 27 27 ARG HD2 H 2.998 0.03 2 249 27 27 ARG HD3 H 2.961 0.03 2 250 27 27 ARG HE H 7.263 0.03 1 251 27 27 ARG HG2 H 1.463 0.03 2 252 27 27 ARG HG3 H 1.281 0.03 2 253 27 27 ARG C C 175.787 0.3 1 254 27 27 ARG CA C 55.963 0.3 1 255 27 27 ARG CB C 30.254 0.3 1 256 27 27 ARG CD C 43.489 0.3 1 257 27 27 ARG CG C 27.492 0.3 1 258 27 27 ARG N N 120.832 0.3 1 259 28 28 ASN H H 8.370 0.03 1 260 28 28 ASN HA H 4.716 0.03 1 261 28 28 ASN HB2 H 2.727 0.03 2 262 28 28 ASN HB3 H 2.678 0.03 2 263 28 28 ASN HD21 H 7.423 0.03 2 264 28 28 ASN HD22 H 6.772 0.03 2 265 28 28 ASN C C 174.036 0.3 1 266 28 28 ASN CA C 53.340 0.3 1 267 28 28 ASN CB C 39.827 0.3 1 268 28 28 ASN N N 120.956 0.3 1 269 28 28 ASN ND2 N 112.845 0.3 1 270 29 29 LYS H H 7.852 0.03 1 271 29 29 LYS HA H 4.319 0.03 1 272 29 29 LYS HB2 H 1.623 0.03 1 273 29 29 LYS HB3 H 1.623 0.03 1 274 29 29 LYS HD2 H 1.618 0.03 1 275 29 29 LYS HD3 H 1.618 0.03 1 276 29 29 LYS HE2 H 2.840 0.03 2 277 29 29 LYS HE3 H 2.793 0.03 2 278 29 29 LYS HG2 H 1.256 0.03 2 279 29 29 LYS HG3 H 1.175 0.03 2 280 29 29 LYS C C 174.603 0.3 1 281 29 29 LYS CA C 55.729 0.3 1 282 29 29 LYS CB C 35.241 0.3 1 283 29 29 LYS CD C 29.538 0.3 1 284 29 29 LYS CE C 42.120 0.3 1 285 29 29 LYS CG C 24.705 0.3 1 286 29 29 LYS N N 121.278 0.3 1 287 30 30 THR H H 8.277 0.03 1 288 30 30 THR HA H 3.814 0.03 1 289 30 30 THR HB H 4.034 0.03 1 290 30 30 THR HG2 H 0.898 0.03 1 291 30 30 THR CA C 63.168 0.3 1 292 30 30 THR CB C 68.414 0.3 1 293 30 30 THR CG2 C 23.341 0.3 1 294 31 31 PHE H H 8.114 0.03 1 295 31 31 PHE HA H 4.834 0.03 1 296 31 31 PHE HB2 H 2.783 0.03 2 297 31 31 PHE HB3 H 2.704 0.03 2 298 31 31 PHE HD1 H 7.093 0.03 1 299 31 31 PHE HD2 H 7.093 0.03 1 300 31 31 PHE HE1 H 7.100 0.03 1 301 31 31 PHE HE2 H 7.100 0.03 1 302 31 31 PHE HZ H 6.767 0.03 1 303 31 31 PHE C C 172.994 0.3 1 304 31 31 PHE CA C 57.458 0.3 1 305 31 31 PHE CB C 43.367 0.3 1 306 31 31 PHE CD1 C 131.272 0.3 1 307 31 31 PHE CD2 C 131.272 0.3 1 308 31 31 PHE CE1 C 131.400 0.3 1 309 31 31 PHE CE2 C 131.400 0.3 1 310 31 31 PHE CZ C 129.889 0.3 1 311 31 31 PHE N N 123.780 0.3 1 312 32 32 LEU H H 9.049 0.03 1 313 32 32 LEU HA H 5.028 0.03 1 314 32 32 LEU HB2 H 1.468 0.03 2 315 32 32 LEU HB3 H 0.967 0.03 2 316 32 32 LEU HD1 H -0.619 0.03 1 317 32 32 LEU HD2 H -0.166 0.03 1 318 32 32 LEU HG H 0.896 0.03 1 319 32 32 LEU C C 175.363 0.3 1 320 32 32 LEU CA C 54.606 0.3 1 321 32 32 LEU CB C 47.481 0.3 1 322 32 32 LEU CD1 C 25.943 0.3 2 323 32 32 LEU CD2 C 24.511 0.3 2 324 32 32 LEU CG C 28.298 0.3 1 325 32 32 LEU N N 127.072 0.3 1 326 33 33 CYS H H 9.517 0.03 1 327 33 33 CYS HA H 5.069 0.03 1 328 33 33 CYS HB2 H 2.587 0.03 2 329 33 33 CYS HB3 H 1.360 0.03 2 330 33 33 CYS C C 173.467 0.3 1 331 33 33 CYS CA C 58.009 0.3 1 332 33 33 CYS CB C 28.076 0.3 1 333 33 33 CYS N N 125.285 0.3 1 334 34 34 TYR H H 9.046 0.03 1 335 34 34 TYR HA H 6.319 0.03 1 336 34 34 TYR HB2 H 2.583 0.03 2 337 34 34 TYR HB3 H 3.011 0.03 2 338 34 34 TYR HD1 H 6.821 0.03 1 339 34 34 TYR HD2 H 6.821 0.03 1 340 34 34 TYR HE1 H 6.510 0.03 1 341 34 34 TYR HE2 H 6.510 0.03 1 342 34 34 TYR C C 173.449 0.3 1 343 34 34 TYR CA C 54.950 0.3 1 344 34 34 TYR CB C 43.186 0.3 1 345 34 34 TYR N N 120.832 0.3 1 346 35 35 VAL H H 9.286 0.03 1 347 35 35 VAL HA H 4.980 0.03 1 348 35 35 VAL HB H 2.297 0.03 1 349 35 35 VAL HG1 H 1.168 0.03 1 350 35 35 VAL HG2 H 1.421 0.03 1 351 35 35 VAL C C 176.172 0.3 1 352 35 35 VAL CA C 62.579 0.3 1 353 35 35 VAL CB C 35.772 0.3 1 354 35 35 VAL CG1 C 21.466 0.3 2 355 35 35 VAL CG2 C 21.622 0.3 2 356 35 35 VAL N N 118.745 0.3 1 357 36 36 VAL H H 9.625 0.03 1 358 36 36 VAL HA H 4.711 0.03 1 359 36 36 VAL HB H 2.455 0.03 1 360 36 36 VAL HG1 H 1.159 0.03 1 361 36 36 VAL HG2 H 1.332 0.03 1 362 36 36 VAL C C 174.629 0.3 1 363 36 36 VAL CA C 62.085 0.3 1 364 36 36 VAL CB C 34.006 0.3 1 365 36 36 VAL CG1 C 21.892 0.3 2 366 36 36 VAL CG2 C 22.007 0.3 2 367 36 36 VAL N N 127.311 0.3 1 368 37 37 GLU H H 9.002 0.03 1 369 37 37 GLU HA H 5.243 0.03 1 370 37 37 GLU HB2 H 2.159 0.03 2 371 37 37 GLU HB3 H 2.262 0.03 2 372 37 37 GLU HG2 H 2.043 0.03 2 373 37 37 GLU HG3 H 2.230 0.03 2 374 37 37 GLU C C 175.047 0.3 1 375 37 37 GLU CA C 55.190 0.3 1 376 37 37 GLU CB C 32.641 0.3 1 377 37 37 GLU CG C 37.765 0.3 1 378 37 37 GLU N N 128.632 0.3 1 379 38 38 VAL H H 8.913 0.03 1 380 38 38 VAL HA H 4.891 0.03 1 381 38 38 VAL HB H 1.868 0.03 1 382 38 38 VAL HG1 H 0.596 0.03 1 383 38 38 VAL HG2 H 0.886 0.03 1 384 38 38 VAL C C 175.873 0.3 1 385 38 38 VAL CA C 60.651 0.3 1 386 38 38 VAL CB C 34.261 0.3 1 387 38 38 VAL CG1 C 22.734 0.3 2 388 38 38 VAL CG2 C 21.744 0.3 2 389 38 38 VAL N N 125.355 0.3 1 390 39 39 GLN H H 8.880 0.03 1 391 39 39 GLN HA H 4.941 0.03 1 392 39 39 GLN HB2 H 1.859 0.03 2 393 39 39 GLN HB3 H 2.018 0.03 2 394 39 39 GLN HE21 H 7.522 0.03 2 395 39 39 GLN HE22 H 6.754 0.03 2 396 39 39 GLN HG2 H 2.148 0.03 2 397 39 39 GLN HG3 H 2.328 0.03 2 398 39 39 GLN C C 175.163 0.3 1 399 39 39 GLN CA C 54.806 0.3 1 400 39 39 GLN CB C 32.221 0.3 1 401 39 39 GLN CG C 33.804 0.3 1 402 39 39 GLN N N 125.971 0.3 1 403 39 39 GLN NE2 N 111.415 0.3 1 404 40 40 SER H H 8.643 0.03 1 405 40 40 SER HA H 4.760 0.03 1 406 40 40 SER HB2 H 3.825 0.03 2 407 40 40 SER HB3 H 4.034 0.03 2 408 40 40 SER C C 175.209 0.3 1 409 40 40 SER CA C 56.817 0.3 1 410 40 40 SER CB C 65.450 0.3 1 411 40 40 SER N N 120.103 0.3 1 412 41 41 LYS H H 8.958 0.03 1 413 41 41 LYS HA H 4.128 0.03 1 414 41 41 LYS HB2 H 1.868 0.03 2 415 41 41 LYS HB3 H 1.868 0.03 2 416 41 41 LYS HD2 H 1.718 0.03 1 417 41 41 LYS HD3 H 1.718 0.03 1 418 41 41 LYS HE2 H 3.031 0.03 1 419 41 41 LYS HE3 H 3.031 0.03 1 420 41 41 LYS HG2 H 1.447 0.03 2 421 41 41 LYS HG3 H 1.521 0.03 2 422 41 41 LYS C C 177.901 0.3 1 423 41 41 LYS CA C 58.701 0.3 1 424 41 41 LYS CB C 32.145 0.3 1 425 41 41 LYS CD C 29.453 0.3 1 426 41 41 LYS CE C 42.183 0.3 1 427 41 41 LYS CG C 24.971 0.3 1 428 41 41 LYS N N 123.217 0.3 1 429 42 42 GLY HA2 H 4.100 0.03 2 430 42 42 GLY HA3 H 4.025 0.03 2 431 42 42 GLY C C 174.758 0.3 1 432 42 42 GLY CA C 45.495 0.3 1 433 43 43 GLY H H 7.895 0.03 1 434 43 43 GLY HA2 H 3.967 0.03 2 435 43 43 GLY HA3 H 4.075 0.03 2 436 43 43 GLY C C 173.930 0.3 1 437 43 43 GLY CA C 44.830 0.3 1 438 43 43 GLY N N 107.907 0.3 1 439 44 44 GLN H H 8.086 0.03 1 440 44 44 GLN HA H 4.379 0.03 1 441 44 44 GLN HB2 H 2.058 0.03 2 442 44 44 GLN HB3 H 1.996 0.03 2 443 44 44 GLN HE21 H 7.568 0.03 2 444 44 44 GLN HE22 H 6.849 0.03 2 445 44 44 GLN HG2 H 2.376 0.03 1 446 44 44 GLN HG3 H 2.376 0.03 1 447 44 44 GLN C C 175.582 0.3 1 448 44 44 GLN CA C 56.056 0.3 1 449 44 44 GLN CB C 29.539 0.3 1 450 44 44 GLN CG C 34.164 0.3 1 451 44 44 GLN N N 120.093 0.3 1 452 44 44 GLN NE2 N 112.486 0.3 1 453 45 45 ALA H H 8.730 0.03 1 454 45 45 ALA HA H 4.968 0.03 1 455 45 45 ALA HB H 1.329 0.03 1 456 45 45 ALA C C 177.053 0.3 1 457 45 45 ALA CA C 51.926 0.3 1 458 45 45 ALA CB C 20.987 0.3 1 459 45 45 ALA N N 127.317 0.3 1 460 46 46 GLN H H 8.524 0.03 1 461 46 46 GLN HA H 4.672 0.03 1 462 46 46 GLN HB2 H 2.000 0.03 2 463 46 46 GLN HB3 H 2.118 0.03 2 464 46 46 GLN HE21 H 7.492 0.03 2 465 46 46 GLN HE22 H 6.840 0.03 2 466 46 46 GLN HG2 H 2.369 0.03 1 467 46 46 GLN HG3 H 2.369 0.03 1 468 46 46 GLN C C 174.518 0.3 1 469 46 46 GLN CA C 55.165 0.3 1 470 46 46 GLN CB C 31.891 0.3 1 471 46 46 GLN CG C 33.922 0.3 1 472 46 46 GLN N N 120.239 0.3 1 473 46 46 GLN NE2 N 111.930 0.3 1 474 47 47 ALA H H 8.880 0.03 1 475 47 47 ALA HA H 5.831 0.03 1 476 47 47 ALA HB H 1.425 0.03 1 477 47 47 ALA C C 177.335 0.3 1 478 47 47 ALA CA C 51.248 0.3 1 479 47 47 ALA CB C 22.009 0.3 1 480 47 47 ALA N N 127.774 0.3 1 481 48 48 THR H H 8.908 0.03 1 482 48 48 THR HA H 4.749 0.03 1 483 48 48 THR HB H 4.276 0.03 1 484 48 48 THR HG2 H 1.379 0.03 1 485 48 48 THR C C 172.515 0.3 1 486 48 48 THR CA C 61.084 0.3 1 487 48 48 THR CB C 71.819 0.3 1 488 48 48 THR CG2 C 21.872 0.3 1 489 48 48 THR N N 115.805 0.3 1 490 49 49 GLN H H 8.603 0.03 1 491 49 49 GLN HA H 5.621 0.03 1 492 49 49 GLN HB2 H 2.323 0.03 2 493 49 49 GLN HB3 H 2.261 0.03 2 494 49 49 GLN HE21 H 6.836 0.03 2 495 49 49 GLN HE22 H 6.053 0.03 2 496 49 49 GLN HG2 H 2.258 0.03 2 497 49 49 GLN HG3 H 2.115 0.03 2 498 49 49 GLN C C 174.471 0.3 1 499 49 49 GLN CA C 54.165 0.3 1 500 49 49 GLN CB C 33.340 0.3 1 501 49 49 GLN CG C 33.076 0.3 1 502 49 49 GLN N N 119.641 0.3 1 503 49 49 GLN NE2 N 110.611 0.3 1 504 50 50 GLY H H 7.487 0.03 1 505 50 50 GLY HA2 H 4.245 0.03 2 506 50 50 GLY HA3 H 3.974 0.03 2 507 50 50 GLY C C 170.023 0.3 1 508 50 50 GLY CA C 45.620 0.3 1 509 50 50 GLY N N 107.977 0.3 1 510 51 51 TYR H H 8.592 0.03 1 511 51 51 TYR HA H 5.978 0.03 1 512 51 51 TYR HB2 H 2.890 0.03 2 513 51 51 TYR HB3 H 3.232 0.03 2 514 51 51 TYR HD1 H 6.995 0.03 1 515 51 51 TYR HD2 H 6.995 0.03 1 516 51 51 TYR HE1 H 6.799 0.03 1 517 51 51 TYR HE2 H 6.799 0.03 1 518 51 51 TYR C C 173.431 0.3 1 519 51 51 TYR CA C 56.031 0.3 1 520 51 51 TYR CB C 43.659 0.3 1 521 51 51 TYR CD1 C 133.215 0.3 1 522 51 51 TYR CD2 C 133.215 0.3 1 523 51 51 TYR CE1 C 118.272 0.3 1 524 51 51 TYR CE2 C 118.272 0.3 1 525 51 51 TYR N N 116.706 0.3 1 526 52 52 LEU H H 9.522 0.03 1 527 52 52 LEU HA H 4.639 0.03 1 528 52 52 LEU HB2 H 1.571 0.03 1 529 52 52 LEU HB3 H 1.571 0.03 1 530 52 52 LEU HD1 H 0.951 0.03 1 531 52 52 LEU HD2 H 0.848 0.03 1 532 52 52 LEU HG H 1.679 0.03 1 533 52 52 LEU C C 173.861 0.3 1 534 52 52 LEU CA C 53.781 0.3 1 535 52 52 LEU CB C 47.763 0.3 1 536 52 52 LEU CD1 C 24.441 0.3 2 537 52 52 LEU CD2 C 27.003 0.3 2 538 52 52 LEU CG C 27.516 0.3 1 539 52 52 LEU N N 122.915 0.3 1 540 53 53 GLU H H 8.112 0.03 1 541 53 53 GLU HA H 5.076 0.03 1 542 53 53 GLU HB2 H 1.574 0.03 2 543 53 53 GLU HB3 H 1.347 0.03 2 544 53 53 GLU HG2 H 2.011 0.03 2 545 53 53 GLU HG3 H 1.810 0.03 2 546 53 53 GLU C C 175.710 0.3 1 547 53 53 GLU CA C 53.461 0.3 1 548 53 53 GLU CB C 34.026 0.3 1 549 53 53 GLU CG C 35.459 0.3 1 550 53 53 GLU N N 117.384 0.3 1 551 54 54 ASP H H 7.361 0.03 1 552 54 54 ASP HA H 4.424 0.03 1 553 54 54 ASP HB2 H 2.447 0.03 2 554 54 54 ASP HB3 H 2.747 0.03 2 555 54 54 ASP CA C 55.314 0.3 1 556 54 54 ASP CB C 42.067 0.3 1 557 54 54 ASP N N 120.046 0.3 1 558 55 55 GLU H H 8.225 0.03 1 559 55 55 GLU HA H 4.302 0.03 1 560 55 55 GLU HB2 H 2.036 0.03 2 561 55 55 GLU HB3 H 1.979 0.03 2 562 55 55 GLU HG2 H 2.393 0.03 2 563 55 55 GLU HG3 H 2.239 0.03 2 564 55 55 GLU CA C 56.105 0.3 1 565 55 55 GLU CB C 31.191 0.3 1 566 55 55 GLU CG C 36.357 0.3 1 567 55 55 GLU N N 120.774 0.3 1 568 56 56 HIS HA H 4.311 0.03 1 569 56 56 HIS HB2 H 3.152 0.03 2 570 56 56 HIS HB3 H 3.103 0.03 2 571 56 56 HIS HD2 H 6.981 0.03 1 572 56 56 HIS HE1 H 7.719 0.03 1 573 56 56 HIS C C 176.136 0.3 1 574 56 56 HIS CA C 58.066 0.3 1 575 56 56 HIS CB C 30.268 0.3 1 576 56 56 HIS CD2 C 119.382 0.3 1 577 56 56 HIS CE1 C 138.566 0.3 1 578 57 57 ALA H H 8.645 0.03 1 579 57 57 ALA HA H 4.149 0.03 1 580 57 57 ALA HB H 1.305 0.03 1 581 57 57 ALA C C 177.149 0.3 1 582 57 57 ALA CA C 53.068 0.3 1 583 57 57 ALA CB C 17.920 0.3 1 584 57 57 ALA N N 124.531 0.3 1 585 58 58 GLY H H 7.802 0.03 1 586 58 58 GLY HA2 H 4.309 0.03 2 587 58 58 GLY HA3 H 3.660 0.03 2 588 58 58 GLY C C 173.481 0.3 1 589 58 58 GLY CA C 45.196 0.3 1 590 58 58 GLY N N 106.999 0.3 1 591 59 59 ALA H H 8.426 0.03 1 592 59 59 ALA HA H 4.241 0.03 1 593 59 59 ALA HB H 1.186 0.03 1 594 59 59 ALA C C 177.774 0.3 1 595 59 59 ALA CA C 52.203 0.3 1 596 59 59 ALA CB C 19.327 0.3 1 597 59 59 ALA N N 127.619 0.3 1 598 60 60 HIS H H 8.990 0.03 1 599 60 60 HIS HA H 4.826 0.03 1 600 60 60 HIS HB2 H 2.850 0.03 2 601 60 60 HIS HB3 H 3.660 0.03 2 602 60 60 HIS HD2 H 7.007 0.03 1 603 60 60 HIS HE1 H 8.128 0.03 1 604 60 60 HIS C C 176.945 0.3 1 605 60 60 HIS CA C 54.366 0.3 1 606 60 60 HIS CB C 32.475 0.3 1 607 60 60 HIS CD2 C 116.406 0.3 1 608 60 60 HIS CE1 C 140.271 0.3 1 609 60 60 HIS N N 122.558 0.3 1 610 61 61 ALA H H 9.904 0.03 1 611 61 61 ALA HA H 3.755 0.03 1 612 61 61 ALA HB H 0.932 0.03 1 613 61 61 ALA C C 177.913 0.3 1 614 61 61 ALA CA C 55.436 0.3 1 615 61 61 ALA CB C 18.639 0.3 1 616 62 62 GLU H H 11.932 0.03 1 617 62 62 GLU HA H 3.214 0.03 1 618 62 62 GLU HB2 H 3.143 0.03 2 619 62 62 GLU HB3 H 2.057 0.03 2 620 62 62 GLU HG2 H 2.481 0.03 2 621 62 62 GLU HG3 H 1.879 0.03 2 622 62 62 GLU C C 178.557 0.3 1 623 62 62 GLU CA C 60.879 0.3 1 624 62 62 GLU CB C 27.772 0.3 1 625 62 62 GLU CG C 38.534 0.3 1 626 62 62 GLU N N 117.961 0.3 1 627 63 63 GLU H H 6.722 0.03 1 628 63 63 GLU HA H 4.162 0.03 1 629 63 63 GLU HB2 H 2.201 0.03 2 630 63 63 GLU HB3 H 2.145 0.03 2 631 63 63 GLU HG2 H 2.660 0.03 2 632 63 63 GLU HG3 H 2.099 0.03 2 633 63 63 GLU C C 178.633 0.3 1 634 63 63 GLU CA C 60.282 0.3 1 635 63 63 GLU CB C 29.950 0.3 1 636 63 63 GLU CG C 37.637 0.3 1 637 63 63 GLU N N 114.449 0.3 1 638 64 64 ALA H H 8.492 0.03 1 639 64 64 ALA HA H 4.076 0.03 1 640 64 64 ALA HB H 1.449 0.03 1 641 64 64 ALA C C 180.787 0.3 1 642 64 64 ALA CA C 55.190 0.3 1 643 64 64 ALA CB C 18.146 0.3 1 644 64 64 ALA N N 122.118 0.3 1 645 65 65 PHE H H 8.597 0.03 1 646 65 65 PHE HA H 3.473 0.03 1 647 65 65 PHE HB2 H 2.928 0.03 2 648 65 65 PHE HB3 H 2.448 0.03 2 649 65 65 PHE HD1 H 5.941 0.03 1 650 65 65 PHE HD2 H 5.941 0.03 1 651 65 65 PHE HE1 H 6.590 0.03 1 652 65 65 PHE HE2 H 6.590 0.03 1 653 65 65 PHE HZ H 6.986 0.03 1 654 65 65 PHE C C 176.762 0.3 1 655 65 65 PHE CA C 62.850 0.3 1 656 65 65 PHE CB C 38.534 0.3 1 657 65 65 PHE CZ C 128.905 0.3 1 658 65 65 PHE N N 120.372 0.3 1 659 66 66 PHE H H 7.055 0.03 1 660 66 66 PHE HA H 4.224 0.03 1 661 66 66 PHE HB2 H 3.582 0.03 2 662 66 66 PHE HB3 H 2.763 0.03 2 663 66 66 PHE HD1 H 7.797 0.03 1 664 66 66 PHE HD2 H 7.797 0.03 1 665 66 66 PHE HE1 H 7.486 0.03 1 666 66 66 PHE HE2 H 7.486 0.03 1 667 66 66 PHE HZ H 6.977 0.03 1 668 66 66 PHE C C 175.081 0.3 1 669 66 66 PHE CA C 61.084 0.3 1 670 66 66 PHE CB C 39.303 0.3 1 671 66 66 PHE CD1 C 132.586 0.3 1 672 66 66 PHE CD2 C 132.586 0.3 1 673 66 66 PHE CE1 C 131.100 0.3 1 674 66 66 PHE CE2 C 131.100 0.3 1 675 66 66 PHE CZ C 128.218 0.3 1 676 66 66 PHE N N 117.572 0.3 1 677 67 67 ASN H H 8.258 0.03 1 678 67 67 ASN HA H 4.668 0.03 1 679 67 67 ASN HB2 H 2.868 0.03 1 680 67 67 ASN HB3 H 2.868 0.03 1 681 67 67 ASN HD21 H 7.638 0.03 2 682 67 67 ASN HD22 H 7.309 0.03 2 683 67 67 ASN C C 177.306 0.3 1 684 67 67 ASN CA C 54.677 0.3 1 685 67 67 ASN CB C 39.014 0.3 1 686 67 67 ASN N N 115.352 0.3 1 687 67 67 ASN ND2 N 111.163 0.3 1 688 68 68 THR H H 7.996 0.03 1 689 68 68 THR HA H 4.390 0.03 1 690 68 68 THR HB H 3.956 0.03 1 691 68 68 THR HG2 H 1.116 0.03 1 692 68 68 THR C C 173.810 0.3 1 693 68 68 THR CA C 63.133 0.3 1 694 68 68 THR CB C 71.461 0.3 1 695 68 68 THR CG2 C 21.908 0.3 1 696 68 68 THR N N 107.860 0.3 1 697 69 69 ILE H H 7.224 0.03 1 698 69 69 ILE HA H 3.902 0.03 1 699 69 69 ILE HB H 0.881 0.03 1 700 69 69 ILE HD1 H 0.535 0.03 1 701 69 69 ILE HG12 H 0.601 0.03 2 702 69 69 ILE HG13 H 1.222 0.03 2 703 69 69 ILE HG2 H 0.154 0.03 1 704 69 69 ILE C C 176.044 0.3 1 705 69 69 ILE CA C 60.699 0.3 1 706 69 69 ILE CB C 33.997 0.3 1 707 69 69 ILE CD1 C 8.499 0.3 1 708 69 69 ILE CG1 C 27.516 0.3 1 709 69 69 ILE CG2 C 17.138 0.3 1 710 69 69 ILE N N 122.895 0.3 1 711 70 70 LEU H H 6.707 0.03 1 712 70 70 LEU HA H 4.447 0.03 1 713 70 70 LEU HB2 H 1.232 0.03 2 714 70 70 LEU HB3 H 0.747 0.03 2 715 70 70 LEU HD1 H 0.847 0.03 1 716 70 70 LEU HD2 H 0.890 0.03 1 717 70 70 LEU HG H 1.159 0.03 1 718 70 70 LEU C C 176.054 0.3 1 719 70 70 LEU CA C 51.627 0.3 1 720 70 70 LEU CB C 43.403 0.3 1 721 70 70 LEU CD1 C 25.220 0.3 2 722 70 70 LEU CD2 C 25.466 0.3 2 723 70 70 LEU CG C 26.411 0.3 1 724 70 70 LEU N N 117.384 0.3 1 725 71 71 PRO HA H 4.720 0.03 1 726 71 71 PRO HB2 H 1.851 0.03 2 727 71 71 PRO HB3 H 1.992 0.03 2 728 71 71 PRO HD2 H 3.396 0.03 2 729 71 71 PRO HD3 H 2.753 0.03 2 730 71 71 PRO HG2 H 1.674 0.03 1 731 71 71 PRO HG3 H 1.674 0.03 1 732 71 71 PRO C C 175.936 0.3 1 733 71 71 PRO CA C 63.541 0.3 1 734 71 71 PRO CB C 32.042 0.3 1 735 71 71 PRO CD C 49.488 0.3 1 736 71 71 PRO CG C 26.638 0.3 1 737 72 72 ALA H H 6.835 0.03 1 738 72 72 ALA HA H 4.298 0.03 1 739 72 72 ALA HB H 1.202 0.03 1 740 72 72 ALA C C 174.746 0.3 1 741 72 72 ALA CA C 51.090 0.3 1 742 72 72 ALA CB C 21.750 0.3 1 743 72 72 ALA N N 119.543 0.3 1 744 73 73 PHE H H 8.483 0.03 1 745 73 73 PHE HA H 4.341 0.03 1 746 73 73 PHE HB2 H 2.681 0.03 2 747 73 73 PHE HB3 H 2.530 0.03 2 748 73 73 PHE HD1 H 6.310 0.03 1 749 73 73 PHE HD2 H 6.310 0.03 1 750 73 73 PHE HE1 H 6.960 0.03 1 751 73 73 PHE HE2 H 6.960 0.03 1 752 73 73 PHE HZ H 7.069 0.03 1 753 73 73 PHE C C 174.810 0.3 1 754 73 73 PHE CA C 56.599 0.3 1 755 73 73 PHE CB C 41.157 0.3 1 756 73 73 PHE CD1 C 131.805 0.3 1 757 73 73 PHE CD2 C 131.805 0.3 1 758 73 73 PHE CE1 C 130.686 0.3 1 759 73 73 PHE CE2 C 130.686 0.3 1 760 73 73 PHE CZ C 128.730 0.3 1 761 73 73 PHE N N 118.046 0.3 1 762 74 74 ASP H H 9.033 0.03 1 763 74 74 ASP HA H 4.960 0.03 1 764 74 74 ASP HB2 H 3.104 0.03 2 765 74 74 ASP HB3 H 2.609 0.03 2 766 74 74 ASP C C 176.681 0.3 1 767 74 74 ASP CA C 51.731 0.3 1 768 74 74 ASP CB C 42.634 0.3 1 769 74 74 ASP N N 128.409 0.3 1 770 75 75 PRO HA H 4.527 0.03 1 771 75 75 PRO HB2 H 2.068 0.03 2 772 75 75 PRO HB3 H 2.454 0.03 2 773 75 75 PRO HD2 H 4.096 0.03 2 774 75 75 PRO HD3 H 4.006 0.03 2 775 75 75 PRO HG2 H 2.121 0.03 2 776 75 75 PRO HG3 H 2.090 0.03 2 777 75 75 PRO C C 177.210 0.3 1 778 75 75 PRO CA C 64.485 0.3 1 779 75 75 PRO CB C 32.641 0.3 1 780 75 75 PRO CD C 51.474 0.3 1 781 75 75 PRO CG C 27.207 0.3 1 782 76 76 ALA H H 8.909 0.03 1 783 76 76 ALA HA H 4.402 0.03 1 784 76 76 ALA HB H 1.438 0.03 1 785 76 76 ALA C C 177.724 0.3 1 786 76 76 ALA CA C 52.755 0.3 1 787 76 76 ALA CB C 19.604 0.3 1 788 76 76 ALA N N 119.922 0.3 1 789 77 77 LEU H H 7.725 0.03 1 790 77 77 LEU HA H 4.738 0.03 1 791 77 77 LEU HB2 H 0.943 0.03 2 792 77 77 LEU HB3 H 1.791 0.03 2 793 77 77 LEU HD1 H 0.720 0.03 1 794 77 77 LEU HD2 H 0.863 0.03 1 795 77 77 LEU HG H 1.434 0.03 1 796 77 77 LEU C C 175.956 0.3 1 797 77 77 LEU CA C 53.340 0.3 1 798 77 77 LEU CB C 43.729 0.3 1 799 77 77 LEU CD1 C 23.032 0.3 2 800 77 77 LEU CD2 C 24.874 0.3 2 801 77 77 LEU CG C 27.039 0.3 1 802 77 77 LEU N N 119.423 0.3 1 803 78 78 LYS H H 8.133 0.03 1 804 78 78 LYS HA H 4.855 0.03 1 805 78 78 LYS HB2 H 1.699 0.03 2 806 78 78 LYS HB3 H 1.879 0.03 2 807 78 78 LYS HD2 H 1.659 0.03 1 808 78 78 LYS HD3 H 1.659 0.03 1 809 78 78 LYS HE2 H 2.966 0.03 1 810 78 78 LYS HE3 H 2.966 0.03 1 811 78 78 LYS HG2 H 1.387 0.03 2 812 78 78 LYS HG3 H 1.486 0.03 2 813 78 78 LYS C C 175.024 0.3 1 814 78 78 LYS CA C 55.895 0.3 1 815 78 78 LYS CB C 34.691 0.3 1 816 78 78 LYS CD C 29.181 0.3 1 817 78 78 LYS CE C 42.249 0.3 1 818 78 78 LYS CG C 25.338 0.3 1 819 78 78 LYS N N 119.164 0.3 1 820 79 79 TYR H H 8.690 0.03 1 821 79 79 TYR HA H 5.068 0.03 1 822 79 79 TYR HB2 H 2.638 0.03 2 823 79 79 TYR HB3 H 3.247 0.03 2 824 79 79 TYR HD1 H 7.014 0.03 1 825 79 79 TYR HD2 H 7.014 0.03 1 826 79 79 TYR HE1 H 7.052 0.03 1 827 79 79 TYR HE2 H 7.052 0.03 1 828 79 79 TYR C C 174.446 0.3 1 829 79 79 TYR CA C 57.624 0.3 1 830 79 79 TYR CB C 41.609 0.3 1 831 79 79 TYR CD1 C 133.599 0.3 1 832 79 79 TYR CD2 C 133.599 0.3 1 833 79 79 TYR CE1 C 118.827 0.3 1 834 79 79 TYR CE2 C 118.827 0.3 1 835 79 79 TYR N N 120.883 0.3 1 836 80 80 ASN H H 9.512 0.03 1 837 80 80 ASN HA H 5.430 0.03 1 838 80 80 ASN HB2 H 2.873 0.03 2 839 80 80 ASN HB3 H 2.799 0.03 2 840 80 80 ASN HD21 H 7.586 0.03 2 841 80 80 ASN HD22 H 6.662 0.03 2 842 80 80 ASN C C 174.474 0.3 1 843 80 80 ASN CA C 52.767 0.3 1 844 80 80 ASN CB C 40.238 0.3 1 845 80 80 ASN N N 125.067 0.3 1 846 80 80 ASN ND2 N 113.094 0.3 1 847 81 81 VAL H H 9.236 0.03 1 848 81 81 VAL HA H 5.133 0.03 1 849 81 81 VAL HB H 2.022 0.03 1 850 81 81 VAL HG1 H 0.786 0.03 1 851 81 81 VAL HG2 H 1.194 0.03 1 852 81 81 VAL C C 174.315 0.3 1 853 81 81 VAL CA C 61.481 0.3 1 854 81 81 VAL CB C 34.261 0.3 1 855 81 81 VAL CG1 C 23.703 0.3 2 856 81 81 VAL CG2 C 23.318 0.3 2 857 81 81 VAL N N 127.964 0.3 1 858 82 82 THR H H 9.313 0.03 1 859 82 82 THR HA H 5.195 0.03 1 860 82 82 THR HB H 3.989 0.03 1 861 82 82 THR HG2 H 0.798 0.03 1 862 82 82 THR C C 173.216 0.3 1 863 82 82 THR CA C 61.980 0.3 1 864 82 82 THR CB C 71.077 0.3 1 865 82 82 THR CG2 C 21.914 0.3 1 866 82 82 THR N N 125.850 0.3 1 867 83 83 TRP H H 9.403 0.03 1 868 83 83 TRP HA H 5.738 0.03 1 869 83 83 TRP HB2 H 2.916 0.03 2 870 83 83 TRP HB3 H 3.248 0.03 2 871 83 83 TRP HD1 H 6.492 0.03 1 872 83 83 TRP HE1 H 5.121 0.03 1 873 83 83 TRP HE3 H 7.147 0.03 1 874 83 83 TRP HH2 H 7.021 0.03 1 875 83 83 TRP HZ2 H 6.460 0.03 1 876 83 83 TRP HZ3 H 6.808 0.03 1 877 83 83 TRP C C 174.099 0.3 1 878 83 83 TRP CA C 52.648 0.3 1 879 83 83 TRP CB C 34.126 0.3 1 880 83 83 TRP CD1 C 121.009 0.3 1 881 83 83 TRP CE3 C 120.283 0.3 1 882 83 83 TRP CH2 C 124.166 0.3 1 883 83 83 TRP CZ2 C 114.205 0.3 1 884 83 83 TRP CZ3 C 121.170 0.3 1 885 83 83 TRP N N 126.075 0.3 1 886 83 83 TRP NE1 N 117.933 0.3 1 887 84 84 TYR H H 9.582 0.03 1 888 84 84 TYR HA H 5.329 0.03 1 889 84 84 TYR HB2 H 2.750 0.03 2 890 84 84 TYR HB3 H 2.861 0.03 2 891 84 84 TYR HD1 H 6.840 0.03 1 892 84 84 TYR HD2 H 6.840 0.03 1 893 84 84 TYR HE1 H 6.566 0.03 1 894 84 84 TYR HE2 H 6.566 0.03 1 895 84 84 TYR C C 175.964 0.3 1 896 84 84 TYR CA C 56.620 0.3 1 897 84 84 TYR CB C 38.931 0.3 1 898 84 84 TYR CD1 C 132.918 0.3 1 899 84 84 TYR CD2 C 132.918 0.3 1 900 84 84 TYR CE1 C 118.152 0.3 1 901 84 84 TYR CE2 C 118.152 0.3 1 902 84 84 TYR N N 121.256 0.3 1 903 85 85 VAL H H 9.425 0.03 1 904 85 85 VAL HA H 5.735 0.03 1 905 85 85 VAL HB H 2.104 0.03 1 906 85 85 VAL HG1 H 0.935 0.03 1 907 85 85 VAL HG2 H 1.068 0.03 1 908 85 85 VAL C C 175.913 0.3 1 909 85 85 VAL CA C 58.308 0.3 1 910 85 85 VAL CB C 35.621 0.3 1 911 85 85 VAL CG1 C 21.798 0.3 2 912 85 85 VAL CG2 C 23.358 0.3 2 913 85 85 VAL N N 117.834 0.3 1 914 86 86 SER H H 8.675 0.03 1 915 86 86 SER HA H 3.560 0.03 1 916 86 86 SER HB2 H 4.004 0.03 2 917 86 86 SER HB3 H 2.485 0.03 2 918 86 86 SER C C 174.390 0.3 1 919 86 86 SER CA C 61.229 0.3 1 920 86 86 SER CB C 61.869 0.3 1 921 86 86 SER N N 119.641 0.3 1 922 87 87 SER H H 6.810 0.03 1 923 87 87 SER HA H 5.203 0.03 1 924 87 87 SER HB2 H 3.596 0.03 1 925 87 87 SER HB3 H 3.596 0.03 1 926 87 87 SER CA C 56.625 0.3 1 927 87 87 SER CB C 65.178 0.3 1 928 87 87 SER N N 111.270 0.3 1 929 88 88 SER H H 7.603 0.03 1 930 88 88 SER HA H 4.305 0.03 1 931 88 88 SER HB2 H 4.249 0.03 2 932 88 88 SER HB3 H 3.910 0.03 2 933 88 88 SER CA C 58.735 0.3 1 934 88 88 SER CB C 61.799 0.3 1 935 88 88 SER N N 116.625 0.3 1 936 89 89 PRO HA H 4.810 0.03 1 937 89 89 PRO HB2 H 2.403 0.03 2 938 89 89 PRO HB3 H 1.962 0.03 2 939 89 89 PRO HD2 H 3.813 0.03 2 940 89 89 PRO HD3 H 3.370 0.03 2 941 89 89 PRO HG2 H 2.118 0.03 2 942 89 89 PRO HG3 H 1.800 0.03 2 943 89 89 PRO C C 177.027 0.3 1 944 89 89 PRO CA C 64.207 0.3 1 945 89 89 PRO CB C 32.927 0.3 1 946 89 89 PRO CD C 50.323 0.3 1 947 89 89 PRO CG C 27.524 0.3 1 948 90 90 CYS H H 8.471 0.03 1 949 90 90 CYS HA H 4.760 0.03 1 950 90 90 CYS HB2 H 3.732 0.03 2 951 90 90 CYS HB3 H 3.204 0.03 2 952 90 90 CYS C C 174.607 0.3 1 953 90 90 CYS CA C 57.442 0.3 1 954 90 90 CYS CB C 29.598 0.3 1 955 90 90 CYS N N 118.513 0.3 1 956 91 91 ALA H H 8.898 0.03 1 957 91 91 ALA HA H 3.953 0.03 1 958 91 91 ALA HB H 1.399 0.03 1 959 91 91 ALA C C 179.678 0.3 1 960 91 91 ALA CA C 56.072 0.3 1 961 91 91 ALA CB C 17.918 0.3 1 962 91 91 ALA N N 121.010 0.3 1 963 92 92 ALA H H 8.277 0.03 1 964 92 92 ALA HA H 4.287 0.03 1 965 92 92 ALA HB H 1.519 0.03 1 966 92 92 ALA C C 181.797 0.3 1 967 92 92 ALA CA C 55.659 0.3 1 968 92 92 ALA CB C 18.932 0.3 1 969 92 92 ALA N N 123.238 0.3 1 970 93 93 CYS H H 9.131 0.03 1 971 93 93 CYS HA H 4.035 0.03 1 972 93 93 CYS HB2 H 2.752 0.03 2 973 93 93 CYS HB3 H 3.179 0.03 2 974 93 93 CYS C C 178.270 0.3 1 975 93 93 CYS CA C 66.138 0.3 1 976 93 93 CYS CB C 29.694 0.3 1 977 93 93 CYS N N 124.690 0.3 1 978 94 94 ALA H H 9.002 0.03 1 979 94 94 ALA HA H 3.986 0.03 1 980 94 94 ALA HB H 1.474 0.03 1 981 94 94 ALA C C 179.113 0.3 1 982 94 94 ALA CA C 55.872 0.3 1 983 94 94 ALA CB C 18.503 0.3 1 984 94 94 ALA N N 121.084 0.3 1 985 95 95 ASP H H 7.883 0.03 1 986 95 95 ASP HA H 4.435 0.03 1 987 95 95 ASP HB2 H 2.816 0.03 2 988 95 95 ASP HB3 H 2.758 0.03 2 989 95 95 ASP C C 177.553 0.3 1 990 95 95 ASP CA C 58.063 0.3 1 991 95 95 ASP CB C 41.865 0.3 1 992 95 95 ASP N N 118.256 0.3 1 993 96 96 ARG H H 7.581 0.03 1 994 96 96 ARG HA H 4.049 0.03 1 995 96 96 ARG HB2 H 2.031 0.03 2 996 96 96 ARG HB3 H 2.172 0.03 2 997 96 96 ARG HD2 H 3.192 0.03 2 998 96 96 ARG HD3 H 3.250 0.03 2 999 96 96 ARG HG2 H 1.417 0.03 2 1000 96 96 ARG HG3 H 1.807 0.03 2 1001 96 96 ARG C C 179.949 0.3 1 1002 96 96 ARG CA C 58.641 0.3 1 1003 96 96 ARG CB C 28.925 0.3 1 1004 96 96 ARG CD C 42.523 0.3 1 1005 96 96 ARG CG C 27.516 0.3 1 1006 96 96 ARG N N 119.710 0.3 1 1007 97 97 ILE H H 8.728 0.03 1 1008 97 97 ILE HA H 3.194 0.03 1 1009 97 97 ILE HB H 1.914 0.03 1 1010 97 97 ILE HD1 H 0.963 0.03 1 1011 97 97 ILE HG12 H 2.204 0.03 2 1012 97 97 ILE HG13 H 1.078 0.03 2 1013 97 97 ILE HG2 H 0.663 0.03 1 1014 97 97 ILE C C 177.136 0.3 1 1015 97 97 ILE CA C 66.208 0.3 1 1016 97 97 ILE CB C 38.662 0.3 1 1017 97 97 ILE CD1 C 15.026 0.3 1 1018 97 97 ILE CG1 C 29.267 0.3 1 1019 97 97 ILE CG2 C 19.209 0.3 1 1020 97 97 ILE N N 121.918 0.3 1 1021 98 98 LEU H H 8.556 0.03 1 1022 98 98 LEU HA H 3.743 0.03 1 1023 98 98 LEU HB2 H 1.845 0.03 2 1024 98 98 LEU HB3 H 1.781 0.03 2 1025 98 98 LEU HD1 H 0.845 0.03 1 1026 98 98 LEU HD2 H 0.866 0.03 1 1027 98 98 LEU HG H 1.649 0.03 1 1028 98 98 LEU C C 179.553 0.3 1 1029 98 98 LEU CA C 58.905 0.3 1 1030 98 98 LEU CB C 41.929 0.3 1 1031 98 98 LEU CD1 C 25.314 0.3 2 1032 98 98 LEU CD2 C 25.558 0.3 2 1033 98 98 LEU CG C 27.175 0.3 1 1034 98 98 LEU N N 121.222 0.3 1 1035 99 99 LYS H H 8.381 0.03 1 1036 99 99 LYS HA H 3.885 0.03 1 1037 99 99 LYS HB2 H 1.844 0.03 2 1038 99 99 LYS HB3 H 1.791 0.03 2 1039 99 99 LYS HD2 H 1.603 0.03 2 1040 99 99 LYS HD3 H 1.546 0.03 2 1041 99 99 LYS HE2 H 2.933 0.03 1 1042 99 99 LYS HE3 H 2.933 0.03 1 1043 99 99 LYS HG2 H 1.394 0.03 2 1044 99 99 LYS HG3 H 1.563 0.03 2 1045 99 99 LYS C C 179.530 0.3 1 1046 99 99 LYS CA C 59.802 0.3 1 1047 99 99 LYS CB C 32.566 0.3 1 1048 99 99 LYS CD C 29.053 0.3 1 1049 99 99 LYS CE C 42.183 0.3 1 1050 99 99 LYS CG C 26.283 0.3 1 1051 99 99 LYS N N 120.044 0.3 1 1052 100 100 THR H H 7.643 0.03 1 1053 100 100 THR HA H 3.684 0.03 1 1054 100 100 THR HB H 3.731 0.03 1 1055 100 100 THR HG2 H 0.704 0.03 1 1056 100 100 THR C C 176.723 0.3 1 1057 100 100 THR CA C 67.489 0.3 1 1058 100 100 THR CB C 68.330 0.3 1 1059 100 100 THR CG2 C 20.777 0.3 1 1060 100 100 THR N N 116.706 0.3 1 1061 101 101 LEU H H 8.710 0.03 1 1062 101 101 LEU HA H 3.868 0.03 1 1063 101 101 LEU HB2 H 1.711 0.03 2 1064 101 101 LEU HB3 H 1.525 0.03 2 1065 101 101 LEU HD1 H 0.703 0.03 1 1066 101 101 LEU HD2 H 0.702 0.03 1 1067 101 101 LEU HG H 1.704 0.03 1 1068 101 101 LEU C C 179.164 0.3 1 1069 101 101 LEU CA C 58.130 0.3 1 1070 101 101 LEU CB C 41.481 0.3 1 1071 101 101 LEU CD1 C 22.519 0.3 2 1072 101 101 LEU CD2 C 26.576 0.3 2 1073 101 101 LEU CG C 26.747 0.3 1 1074 101 101 LEU N N 122.307 0.3 1 1075 102 102 SER H H 8.107 0.03 1 1076 102 102 SER HA H 4.179 0.03 1 1077 102 102 SER HB2 H 3.953 0.03 2 1078 102 102 SER HB3 H 3.932 0.03 2 1079 102 102 SER C C 175.077 0.3 1 1080 102 102 SER CA C 61.305 0.3 1 1081 102 102 SER CB C 63.257 0.3 1 1082 102 102 SER N N 111.740 0.3 1 1083 103 103 LYS H H 7.038 0.03 1 1084 103 103 LYS HA H 4.529 0.03 1 1085 103 103 LYS HB2 H 1.878 0.03 1 1086 103 103 LYS HB3 H 1.878 0.03 1 1087 103 103 LYS HD2 H 1.659 0.03 1 1088 103 103 LYS HD3 H 1.659 0.03 1 1089 103 103 LYS HE2 H 2.977 0.03 1 1090 103 103 LYS HE3 H 2.977 0.03 1 1091 103 103 LYS HG2 H 1.563 0.03 2 1092 103 103 LYS HG3 H 1.476 0.03 2 1093 103 103 LYS C C 176.204 0.3 1 1094 103 103 LYS CA C 56.087 0.3 1 1095 103 103 LYS CB C 34.072 0.3 1 1096 103 103 LYS CD C 29.306 0.3 1 1097 103 103 LYS CE C 42.314 0.3 1 1098 103 103 LYS CG C 24.470 0.3 1 1099 103 103 LYS N N 116.481 0.3 1 1100 104 104 THR H H 7.411 0.03 1 1101 104 104 THR HA H 4.326 0.03 1 1102 104 104 THR HB H 3.697 0.03 1 1103 104 104 THR HG2 H 0.206 0.03 1 1104 104 104 THR C C 173.921 0.3 1 1105 104 104 THR CA C 60.955 0.3 1 1106 104 104 THR CB C 68.258 0.3 1 1107 104 104 THR CG2 C 21.853 0.3 1 1108 104 104 THR N N 118.444 0.3 1 1109 105 105 LYS H H 8.637 0.03 1 1110 105 105 LYS HA H 4.314 0.03 1 1111 105 105 LYS HB2 H 1.813 0.03 2 1112 105 105 LYS HB3 H 1.962 0.03 2 1113 105 105 LYS HD2 H 1.690 0.03 1 1114 105 105 LYS HD3 H 1.690 0.03 1 1115 105 105 LYS HE2 H 3.031 0.03 1 1116 105 105 LYS HE3 H 3.031 0.03 1 1117 105 105 LYS HG2 H 1.515 0.03 2 1118 105 105 LYS HG3 H 1.478 0.03 2 1119 105 105 LYS C C 176.881 0.3 1 1120 105 105 LYS CA C 57.624 0.3 1 1121 105 105 LYS CB C 31.896 0.3 1 1122 105 105 LYS CD C 28.764 0.3 1 1123 105 105 LYS CE C 42.282 0.3 1 1124 105 105 LYS CG C 24.953 0.3 1 1125 105 105 LYS N N 123.507 0.3 1 1126 106 106 ASN H H 9.166 0.03 1 1127 106 106 ASN HA H 4.822 0.03 1 1128 106 106 ASN HB2 H 2.952 0.03 2 1129 106 106 ASN HB3 H 3.650 0.03 2 1130 106 106 ASN HD21 H 8.445 0.03 2 1131 106 106 ASN HD22 H 5.976 0.03 2 1132 106 106 ASN C C 172.394 0.3 1 1133 106 106 ASN CA C 52.632 0.3 1 1134 106 106 ASN CB C 35.909 0.3 1 1135 106 106 ASN N N 114.655 0.3 1 1136 106 106 ASN ND2 N 113.605 0.3 1 1137 107 107 LEU H H 7.218 0.03 1 1138 107 107 LEU HA H 5.254 0.03 1 1139 107 107 LEU HB2 H 1.641 0.03 2 1140 107 107 LEU HB3 H 0.822 0.03 2 1141 107 107 LEU HD1 H 0.935 0.03 1 1142 107 107 LEU HD2 H 0.653 0.03 1 1143 107 107 LEU HG H 1.184 0.03 1 1144 107 107 LEU C C 174.101 0.3 1 1145 107 107 LEU CA C 54.165 0.3 1 1146 107 107 LEU CB C 44.211 0.3 1 1147 107 107 LEU CD1 C 24.460 0.3 2 1148 107 107 LEU CD2 C 26.935 0.3 2 1149 107 107 LEU CG C 27.789 0.3 1 1150 107 107 LEU N N 121.497 0.3 1 1151 108 108 ARG H H 8.591 0.03 1 1152 108 108 ARG HA H 4.723 0.03 1 1153 108 108 ARG HB2 H 1.958 0.03 2 1154 108 108 ARG HB3 H 1.903 0.03 2 1155 108 108 ARG HD2 H 3.264 0.03 2 1156 108 108 ARG HD3 H 3.189 0.03 2 1157 108 108 ARG HG2 H 1.709 0.03 2 1158 108 108 ARG HG3 H 1.626 0.03 2 1159 108 108 ARG C C 173.526 0.3 1 1160 108 108 ARG CA C 54.437 0.3 1 1161 108 108 ARG CB C 32.249 0.3 1 1162 108 108 ARG CD C 43.520 0.3 1 1163 108 108 ARG CG C 27.085 0.3 1 1164 108 108 ARG N N 127.167 0.3 1 1165 109 109 LEU H H 9.051 0.03 1 1166 109 109 LEU HA H 5.078 0.03 1 1167 109 109 LEU HB2 H 1.661 0.03 2 1168 109 109 LEU HB3 H 0.640 0.03 2 1169 109 109 LEU HD1 H 0.118 0.03 1 1170 109 109 LEU HD2 H -0.361 0.03 1 1171 109 109 LEU HG H 0.818 0.03 1 1172 109 109 LEU C C 172.976 0.3 1 1173 109 109 LEU CA C 53.622 0.3 1 1174 109 109 LEU CB C 46.943 0.3 1 1175 109 109 LEU CD1 C 27.107 0.3 2 1176 109 109 LEU CD2 C 22.263 0.3 2 1177 109 109 LEU CG C 27.260 0.3 1 1178 109 109 LEU N N 126.849 0.3 1 1179 110 110 LEU H H 8.281 0.03 1 1180 110 110 LEU HA H 4.945 0.03 1 1181 110 110 LEU HB2 H 1.759 0.03 2 1182 110 110 LEU HB3 H 1.359 0.03 2 1183 110 110 LEU HD1 H 0.770 0.03 1 1184 110 110 LEU HD2 H 0.671 0.03 1 1185 110 110 LEU HG H 1.276 0.03 1 1186 110 110 LEU C C 173.420 0.3 1 1187 110 110 LEU CA C 53.583 0.3 1 1188 110 110 LEU CB C 44.419 0.3 1 1189 110 110 LEU CD1 C 26.338 0.3 2 1190 110 110 LEU CD2 C 23.672 0.3 2 1191 110 110 LEU CG C 28.002 0.3 1 1192 110 110 LEU N N 131.020 0.3 1 1193 111 111 ILE H H 8.988 0.03 1 1194 111 111 ILE HA H 4.478 0.03 1 1195 111 111 ILE HB H 1.703 0.03 1 1196 111 111 ILE HD1 H 0.587 0.03 1 1197 111 111 ILE HG12 H 1.123 0.03 2 1198 111 111 ILE HG13 H 0.538 0.03 2 1199 111 111 ILE HG2 H 0.834 0.03 1 1200 111 111 ILE C C 173.008 0.3 1 1201 111 111 ILE CA C 61.212 0.3 1 1202 111 111 ILE CB C 39.778 0.3 1 1203 111 111 ILE CD1 C 14.138 0.3 1 1204 111 111 ILE CG1 C 26.491 0.3 1 1205 111 111 ILE CG2 C 18.291 0.3 1 1206 111 111 ILE N N 124.991 0.3 1 1207 112 112 LEU H H 9.211 0.03 1 1208 112 112 LEU HA H 5.173 0.03 1 1209 112 112 LEU HB2 H 1.024 0.03 2 1210 112 112 LEU HB3 H 1.599 0.03 2 1211 112 112 LEU HD1 H 0.644 0.03 1 1212 112 112 LEU HD2 H 0.311 0.03 1 1213 112 112 LEU HG H 1.183 0.03 1 1214 112 112 LEU C C 176.450 0.3 1 1215 112 112 LEU CA C 53.704 0.3 1 1216 112 112 LEU CB C 42.819 0.3 1 1217 112 112 LEU CD1 C 26.671 0.3 2 1218 112 112 LEU CD2 C 25.722 0.3 2 1219 112 112 LEU CG C 28.768 0.3 1 1220 112 112 LEU N N 128.757 0.3 1 1221 113 113 VAL H H 8.695 0.03 1 1222 113 113 VAL HA H 4.871 0.03 1 1223 113 113 VAL HB H 1.864 0.03 1 1224 113 113 VAL HG1 H 0.696 0.03 1 1225 113 113 VAL HG2 H 0.635 0.03 1 1226 113 113 VAL C C 176.450 0.3 1 1227 113 113 VAL CA C 59.087 0.3 1 1228 113 113 VAL CB C 34.991 0.3 1 1229 113 113 VAL CG1 C 21.238 0.3 2 1230 113 113 VAL CG2 C 23.160 0.3 2 1231 113 113 VAL N N 117.478 0.3 1 1232 114 114 SER H H 8.558 0.03 1 1233 114 114 SER HA H 4.776 0.03 1 1234 114 114 SER HB2 H 4.567 0.03 2 1235 114 114 SER HB3 H 4.383 0.03 2 1236 114 114 SER CA C 60.779 0.3 1 1237 114 114 SER CB C 62.675 0.3 1 1238 114 114 SER N N 121.229 0.3 1 1239 115 115 ARG H H 6.580 0.03 1 1240 115 115 ARG HA H 3.562 0.03 1 1241 115 115 ARG HB2 H 1.658 0.03 2 1242 115 115 ARG HB3 H 1.477 0.03 2 1243 115 115 ARG HD2 H 3.417 0.03 2 1244 115 115 ARG HD3 H 3.160 0.03 2 1245 115 115 ARG HE H 7.296 0.03 1 1246 115 115 ARG HG2 H 1.784 0.03 2 1247 115 115 ARG HG3 H 1.463 0.03 2 1248 115 115 ARG CA C 53.750 0.3 1 1249 115 115 ARG CB C 33.988 0.3 1 1250 115 115 ARG CD C 43.791 0.3 1 1251 115 115 ARG CG C 26.675 0.3 1 1252 115 115 ARG N N 108.660 0.3 1 1253 115 115 ARG NE N 81.940 0.3 1 1254 116 116 LEU H H 5.107 0.03 1 1255 116 116 LEU HA H 4.559 0.03 1 1256 116 116 LEU HB2 H 1.640 0.03 2 1257 116 116 LEU HB3 H 1.543 0.03 2 1258 116 116 LEU HD1 H 0.834 0.03 1 1259 116 116 LEU HD2 H 0.817 0.03 1 1260 116 116 LEU HG H 1.511 0.03 1 1261 116 116 LEU CA C 53.514 0.3 1 1262 116 116 LEU CB C 43.940 0.3 1 1263 116 116 LEU CD1 C 25.479 0.3 2 1264 116 116 LEU CD2 C 23.993 0.3 2 1265 116 116 LEU CG C 26.869 0.3 1 1266 116 116 LEU N N 118.809 0.3 1 1267 117 117 PHE H H 8.477 0.03 1 1268 117 117 PHE HA H 4.819 0.03 1 1269 117 117 PHE HB2 H 3.125 0.03 2 1270 117 117 PHE HB3 H 2.982 0.03 2 1271 117 117 PHE HD1 H 7.174 0.03 1 1272 117 117 PHE HD2 H 7.174 0.03 1 1273 117 117 PHE HE1 H 7.348 0.03 1 1274 117 117 PHE HE2 H 7.348 0.03 1 1275 117 117 PHE HZ H 7.348 0.03 1 1276 117 117 PHE C C 174.006 0.3 1 1277 117 117 PHE CA C 56.889 0.3 1 1278 117 117 PHE CB C 41.926 0.3 1 1279 117 117 PHE CD1 C 131.937 0.3 1 1280 117 117 PHE CD2 C 131.937 0.3 1 1281 117 117 PHE CE1 C 131.761 0.3 1 1282 117 117 PHE CE2 C 131.761 0.3 1 1283 117 117 PHE CZ C 130.409 0.3 1 1284 118 118 MET H H 8.853 0.03 1 1285 118 118 MET HA H 3.711 0.03 1 1286 118 118 MET HB2 H 2.023 0.03 2 1287 118 118 MET HB3 H 1.492 0.03 2 1288 118 118 MET HE H 1.961 0.03 1 1289 118 118 MET HG2 H 1.570 0.03 2 1290 118 118 MET HG3 H 1.198 0.03 2 1291 118 118 MET C C 175.526 0.3 1 1292 118 118 MET CA C 56.684 0.3 1 1293 118 118 MET CB C 30.124 0.3 1 1294 118 118 MET CE C 17.010 0.3 1 1295 118 118 MET CG C 32.128 0.3 1 1296 118 118 MET N N 122.487 0.3 1 1297 119 119 TRP H H 6.584 0.03 1 1298 119 119 TRP HA H 3.996 0.03 1 1299 119 119 TRP HB2 H 2.789 0.03 2 1300 119 119 TRP HB3 H 3.515 0.03 2 1301 119 119 TRP HD1 H 7.446 0.03 1 1302 119 119 TRP HE1 H 10.594 0.03 1 1303 119 119 TRP HE3 H 7.351 0.03 1 1304 119 119 TRP HH2 H 7.290 0.03 1 1305 119 119 TRP HZ2 H 7.613 0.03 1 1306 119 119 TRP HZ3 H 7.197 0.03 1 1307 119 119 TRP C C 175.621 0.3 1 1308 119 119 TRP CA C 58.664 0.3 1 1309 119 119 TRP CB C 29.112 0.3 1 1310 119 119 TRP CD1 C 126.878 0.3 1 1311 119 119 TRP CE3 C 120.650 0.3 1 1312 119 119 TRP CH2 C 124.888 0.3 1 1313 119 119 TRP CZ2 C 115.220 0.3 1 1314 119 119 TRP CZ3 C 122.488 0.3 1 1315 119 119 TRP N N 112.177 0.3 1 1316 119 119 TRP NE1 N 130.270 0.3 1 1317 120 120 GLU H H 8.174 0.03 1 1318 120 120 GLU HA H 3.683 0.03 1 1319 120 120 GLU HB2 H 1.325 0.03 2 1320 120 120 GLU HB3 H 1.484 0.03 2 1321 120 120 GLU HG2 H 0.859 0.03 2 1322 120 120 GLU HG3 H 1.450 0.03 2 1323 120 120 GLU C C 177.221 0.3 1 1324 120 120 GLU CA C 57.311 0.3 1 1325 120 120 GLU CB C 29.345 0.3 1 1326 120 120 GLU CG C 35.772 0.3 1 1327 120 120 GLU N N 118.388 0.3 1 1328 121 121 GLU H H 7.724 0.03 1 1329 121 121 GLU HA H 4.551 0.03 1 1330 121 121 GLU HB2 H 2.087 0.03 2 1331 121 121 GLU HB3 H 2.286 0.03 2 1332 121 121 GLU HG2 H 2.333 0.03 2 1333 121 121 GLU HG3 H 2.215 0.03 2 1334 121 121 GLU C C 176.038 0.3 1 1335 121 121 GLU CA C 53.637 0.3 1 1336 121 121 GLU CB C 29.566 0.3 1 1337 121 121 GLU CG C 36.235 0.3 1 1338 121 121 GLU N N 121.866 0.3 1 1339 122 122 PRO HA H 4.130 0.03 1 1340 122 122 PRO HB2 H 2.024 0.03 2 1341 122 122 PRO HB3 H 2.413 0.03 2 1342 122 122 PRO HD2 H 3.941 0.03 2 1343 122 122 PRO HD3 H 4.149 0.03 2 1344 122 122 PRO HG2 H 2.049 0.03 2 1345 122 122 PRO HG3 H 2.225 0.03 2 1346 122 122 PRO C C 179.326 0.3 1 1347 122 122 PRO CA C 66.034 0.3 1 1348 122 122 PRO CB C 32.354 0.3 1 1349 122 122 PRO CD C 51.346 0.3 1 1350 122 122 PRO CG C 27.772 0.3 1 1351 123 123 GLU H H 9.534 0.03 1 1352 123 123 GLU HA H 4.169 0.03 1 1353 123 123 GLU HB2 H 2.115 0.03 2 1354 123 123 GLU HB3 H 2.035 0.03 2 1355 123 123 GLU HG2 H 2.331 0.03 1 1356 123 123 GLU HG3 H 2.331 0.03 1 1357 123 123 GLU C C 179.673 0.3 1 1358 123 123 GLU CA C 59.802 0.3 1 1359 123 123 GLU CB C 29.438 0.3 1 1360 123 123 GLU CG C 36.765 0.3 1 1361 123 123 GLU N N 117.316 0.3 1 1362 124 124 VAL H H 7.221 0.03 1 1363 124 124 VAL HA H 3.677 0.03 1 1364 124 124 VAL HB H 2.484 0.03 1 1365 124 124 VAL HG1 H 1.001 0.03 1 1366 124 124 VAL HG2 H 1.114 0.03 1 1367 124 124 VAL C C 177.709 0.3 1 1368 124 124 VAL CA C 66.465 0.3 1 1369 124 124 VAL CB C 31.902 0.3 1 1370 124 124 VAL CG1 C 21.494 0.3 2 1371 124 124 VAL CG2 C 23.655 0.3 2 1372 124 124 VAL N N 121.988 0.3 1 1373 125 125 GLN H H 8.028 0.03 1 1374 125 125 GLN HA H 3.810 0.03 1 1375 125 125 GLN HB2 H 2.134 0.03 2 1376 125 125 GLN HB3 H 2.203 0.03 2 1377 125 125 GLN HE21 H 8.302 0.03 2 1378 125 125 GLN HE22 H 6.923 0.03 2 1379 125 125 GLN HG2 H 2.832 0.03 2 1380 125 125 GLN HG3 H 2.416 0.03 2 1381 125 125 GLN C C 178.320 0.3 1 1382 125 125 GLN CA C 60.374 0.3 1 1383 125 125 GLN CB C 27.441 0.3 1 1384 125 125 GLN CG C 33.552 0.3 1 1385 125 125 GLN N N 118.422 0.3 1 1386 125 125 GLN NE2 N 110.140 0.3 1 1387 126 126 ALA H H 8.220 0.03 1 1388 126 126 ALA HA H 4.068 0.03 1 1389 126 126 ALA HB H 1.476 0.03 1 1390 126 126 ALA C C 180.034 0.3 1 1391 126 126 ALA CA C 55.062 0.3 1 1392 126 126 ALA CB C 18.364 0.3 1 1393 126 126 ALA N N 117.945 0.3 1 1394 127 127 ALA H H 7.567 0.03 1 1395 127 127 ALA HA H 4.065 0.03 1 1396 127 127 ALA HB H 1.577 0.03 1 1397 127 127 ALA C C 180.128 0.3 1 1398 127 127 ALA CA C 55.318 0.3 1 1399 127 127 ALA CB C 18.359 0.3 1 1400 127 127 ALA N N 121.009 0.3 1 1401 128 128 LEU H H 8.428 0.03 1 1402 128 128 LEU HA H 4.017 0.03 1 1403 128 128 LEU HB2 H 1.213 0.03 2 1404 128 128 LEU HB3 H 2.047 0.03 2 1405 128 128 LEU HD1 H 0.925 0.03 1 1406 128 128 LEU HD2 H 0.849 0.03 1 1407 128 128 LEU HG H 2.145 0.03 1 1408 128 128 LEU C C 179.040 0.3 1 1409 128 128 LEU CA C 58.454 0.3 1 1410 128 128 LEU CB C 41.409 0.3 1 1411 128 128 LEU CD1 C 25.722 0.3 2 1412 128 128 LEU CD2 C 21.643 0.3 2 1413 128 128 LEU CG C 26.823 0.3 1 1414 128 128 LEU N N 117.731 0.3 1 1415 129 129 LYS H H 7.865 0.03 1 1416 129 129 LYS HA H 3.869 0.03 1 1417 129 129 LYS HB2 H 1.969 0.03 2 1418 129 129 LYS HB3 H 1.893 0.03 2 1419 129 129 LYS HD2 H 1.762 0.03 1 1420 129 129 LYS HD3 H 1.762 0.03 1 1421 129 129 LYS HE2 H 3.014 0.03 1 1422 129 129 LYS HE3 H 3.014 0.03 1 1423 129 129 LYS HG2 H 1.640 0.03 2 1424 129 129 LYS HG3 H 1.512 0.03 2 1425 129 129 LYS C C 179.370 0.3 1 1426 129 129 LYS CA C 60.559 0.3 1 1427 129 129 LYS CB C 32.769 0.3 1 1428 129 129 LYS CD C 29.827 0.3 1 1429 129 129 LYS CE C 42.321 0.3 1 1430 129 129 LYS CG C 26.289 0.3 1 1431 129 129 LYS N N 118.479 0.3 1 1432 130 130 LYS H H 8.132 0.03 1 1433 130 130 LYS HA H 4.010 0.03 1 1434 130 130 LYS HB2 H 1.862 0.03 2 1435 130 130 LYS HB3 H 1.970 0.03 2 1436 130 130 LYS HD2 H 1.674 0.03 2 1437 130 130 LYS HD3 H 1.611 0.03 2 1438 130 130 LYS HE2 H 2.902 0.03 1 1439 130 130 LYS HE3 H 2.902 0.03 1 1440 130 130 LYS HG2 H 1.500 0.03 2 1441 130 130 LYS HG3 H 1.709 0.03 2 1442 130 130 LYS C C 179.974 0.3 1 1443 130 130 LYS CA C 59.930 0.3 1 1444 130 130 LYS CB C 32.769 0.3 1 1445 130 130 LYS CD C 29.459 0.3 1 1446 130 130 LYS CE C 42.250 0.3 1 1447 130 130 LYS CG C 26.235 0.3 1 1448 130 130 LYS N N 118.966 0.3 1 1449 131 131 LEU H H 8.121 0.03 1 1450 131 131 LEU HA H 3.922 0.03 1 1451 131 131 LEU HB2 H 2.243 0.03 2 1452 131 131 LEU HB3 H 1.276 0.03 2 1453 131 131 LEU HD1 H 0.856 0.03 1 1454 131 131 LEU HD2 H 0.876 0.03 1 1455 131 131 LEU HG H 1.921 0.03 1 1456 131 131 LEU C C 178.260 0.3 1 1457 131 131 LEU CA C 58.454 0.3 1 1458 131 131 LEU CB C 41.270 0.3 1 1459 131 131 LEU CD1 C 25.338 0.3 2 1460 131 131 LEU CD2 C 23.416 0.3 2 1461 131 131 LEU CG C 26.776 0.3 1 1462 131 131 LEU N N 119.867 0.3 1 1463 132 132 LYS H H 7.694 0.03 1 1464 132 132 LYS HA H 4.375 0.03 1 1465 132 132 LYS HB2 H 1.993 0.03 2 1466 132 132 LYS HB3 H 2.138 0.03 2 1467 132 132 LYS HD2 H 1.869 0.03 2 1468 132 132 LYS HD3 H 1.726 0.03 2 1469 132 132 LYS HE2 H 3.062 0.03 1 1470 132 132 LYS HE3 H 3.062 0.03 1 1471 132 132 LYS HG2 H 1.459 0.03 2 1472 132 132 LYS HG3 H 1.645 0.03 2 1473 132 132 LYS C C 181.329 0.3 1 1474 132 132 LYS CA C 59.213 0.3 1 1475 132 132 LYS CB C 32.246 0.3 1 1476 132 132 LYS CD C 30.325 0.3 1 1477 132 132 LYS CE C 42.517 0.3 1 1478 132 132 LYS CG C 24.809 0.3 1 1479 132 132 LYS N N 120.847 0.3 1 1480 133 133 GLU H H 8.367 0.03 1 1481 133 133 GLU HA H 4.053 0.03 1 1482 133 133 GLU HB2 H 2.135 0.03 1 1483 133 133 GLU HB3 H 2.135 0.03 1 1484 133 133 GLU HG2 H 2.471 0.03 2 1485 133 133 GLU HG3 H 2.342 0.03 2 1486 133 133 GLU C C 177.407 0.3 1 1487 133 133 GLU CA C 59.038 0.3 1 1488 133 133 GLU CB C 29.438 0.3 1 1489 133 133 GLU CG C 36.593 0.3 1 1490 133 133 GLU N N 121.335 0.3 1 1491 134 134 ALA H H 7.677 0.03 1 1492 134 134 ALA HA H 4.375 0.03 1 1493 134 134 ALA HB H 1.461 0.03 1 1494 134 134 ALA C C 177.287 0.3 1 1495 134 134 ALA CA C 52.234 0.3 1 1496 134 134 ALA CB C 19.655 0.3 1 1497 134 134 ALA N N 119.537 0.3 1 1498 135 135 GLY H H 7.832 0.03 1 1499 135 135 GLY HA2 H 3.715 0.03 2 1500 135 135 GLY HA3 H 4.359 0.03 2 1501 135 135 GLY C C 174.989 0.3 1 1502 135 135 GLY CA C 45.085 0.3 1 1503 135 135 GLY N N 104.976 0.3 1 1504 136 136 CYS H H 8.052 0.03 1 1505 136 136 CYS HA H 4.405 0.03 1 1506 136 136 CYS HB2 H 2.281 0.03 2 1507 136 136 CYS HB3 H 2.543 0.03 2 1508 136 136 CYS C C 174.031 0.3 1 1509 136 136 CYS CA C 59.253 0.3 1 1510 136 136 CYS CB C 28.004 0.3 1 1511 136 136 CYS N N 122.839 0.3 1 1512 137 137 LYS H H 8.237 0.03 1 1513 137 137 LYS HA H 4.521 0.03 1 1514 137 137 LYS HB2 H 1.700 0.03 2 1515 137 137 LYS HB3 H 1.813 0.03 2 1516 137 137 LYS HD2 H 1.656 0.03 1 1517 137 137 LYS HD3 H 1.656 0.03 1 1518 137 137 LYS HE2 H 2.975 0.03 1 1519 137 137 LYS HE3 H 2.975 0.03 1 1520 137 137 LYS HG2 H 1.489 0.03 2 1521 137 137 LYS HG3 H 1.388 0.03 2 1522 137 137 LYS C C 174.227 0.3 1 1523 137 137 LYS CA C 55.885 0.3 1 1524 137 137 LYS CB C 33.974 0.3 1 1525 137 137 LYS CD C 29.181 0.3 1 1526 137 137 LYS CE C 42.395 0.3 1 1527 137 137 LYS CG C 25.338 0.3 1 1528 137 137 LYS N N 129.688 0.3 1 1529 138 138 LEU H H 8.126 0.03 1 1530 138 138 LEU HA H 5.412 0.03 1 1531 138 138 LEU HB2 H 1.337 0.03 2 1532 138 138 LEU HB3 H 1.549 0.03 2 1533 138 138 LEU HD1 H 0.878 0.03 1 1534 138 138 LEU HD2 H 0.793 0.03 1 1535 138 138 LEU HG H 1.595 0.03 1 1536 138 138 LEU C C 175.625 0.3 1 1537 138 138 LEU CA C 54.083 0.3 1 1538 138 138 LEU CB C 45.837 0.3 1 1539 138 138 LEU CD1 C 26.868 0.3 2 1540 138 138 LEU CD2 C 26.037 0.3 2 1541 138 138 LEU CG C 27.772 0.3 1 1542 138 138 LEU N N 125.957 0.3 1 1543 139 139 ARG H H 8.837 0.03 1 1544 139 139 ARG HA H 4.649 0.03 1 1545 139 139 ARG HB2 H 1.637 0.03 2 1546 139 139 ARG HB3 H 1.905 0.03 2 1547 139 139 ARG HD2 H 3.221 0.03 2 1548 139 139 ARG HD3 H 3.189 0.03 2 1549 139 139 ARG HG2 H 1.601 0.03 2 1550 139 139 ARG HG3 H 1.456 0.03 2 1551 139 139 ARG C C 173.964 0.3 1 1552 139 139 ARG CA C 54.677 0.3 1 1553 139 139 ARG CB C 34.935 0.3 1 1554 139 139 ARG CD C 44.056 0.3 1 1555 139 139 ARG CG C 27.496 0.3 1 1556 139 139 ARG N N 121.005 0.3 1 1557 140 140 ILE H H 8.813 0.03 1 1558 140 140 ILE HA H 4.617 0.03 1 1559 140 140 ILE HB H 2.293 0.03 1 1560 140 140 ILE HD1 H 0.557 0.03 1 1561 140 140 ILE HG12 H 1.920 0.03 2 1562 140 140 ILE HG13 H 1.074 0.03 2 1563 140 140 ILE HG2 H 1.648 0.03 1 1564 140 140 ILE C C 176.879 0.3 1 1565 140 140 ILE CA C 57.798 0.3 1 1566 140 140 ILE CB C 35.667 0.3 1 1567 140 140 ILE CD1 C 9.706 0.3 1 1568 140 140 ILE CG1 C 25.789 0.3 1 1569 140 140 ILE CG2 C 19.296 0.3 1 1570 140 140 ILE N N 121.480 0.3 1 1571 141 141 MET H H 8.867 0.03 1 1572 141 141 MET HA H 4.113 0.03 1 1573 141 141 MET HB2 H 1.722 0.03 2 1574 141 141 MET HB3 H 1.548 0.03 2 1575 141 141 MET HE H 1.275 0.03 1 1576 141 141 MET HG2 H 2.175 0.03 1 1577 141 141 MET HG3 H 2.175 0.03 1 1578 141 141 MET CA C 58.111 0.3 1 1579 141 141 MET CB C 35.734 0.3 1 1580 141 141 MET CE C 16.551 0.3 1 1581 141 141 MET CG C 34.530 0.3 1 1582 141 141 MET N N 125.737 0.3 1 1583 142 142 LYS H H 9.390 0.03 1 1584 142 142 LYS HA H 4.094 0.03 1 1585 142 142 LYS HB2 H 1.522 0.03 2 1586 142 142 LYS HB3 H 1.298 0.03 2 1587 142 142 LYS HD2 H 1.523 0.03 1 1588 142 142 LYS HD3 H 1.523 0.03 1 1589 142 142 LYS HE2 H 2.954 0.03 1 1590 142 142 LYS HE3 H 2.954 0.03 1 1591 142 142 LYS HG2 H 1.346 0.03 2 1592 142 142 LYS HG3 H 0.674 0.03 2 1593 142 142 LYS CA C 54.081 0.3 1 1594 142 142 LYS CB C 32.297 0.3 1 1595 142 142 LYS CD C 29.665 0.3 1 1596 142 142 LYS CE C 42.099 0.3 1 1597 142 142 LYS CG C 24.911 0.3 1 1598 142 142 LYS N N 123.059 0.3 1 1599 143 143 PRO HA H 4.365 0.03 1 1600 143 143 PRO HB2 H 2.393 0.03 2 1601 143 143 PRO HB3 H 2.051 0.03 2 1602 143 143 PRO HD2 H 3.709 0.03 2 1603 143 143 PRO HD3 H 3.444 0.03 2 1604 143 143 PRO HG2 H 2.571 0.03 2 1605 143 143 PRO HG3 H 1.849 0.03 2 1606 143 143 PRO C C 177.973 0.3 1 1607 143 143 PRO CA C 67.957 0.3 1 1608 143 143 PRO CB C 31.542 0.3 1 1609 143 143 PRO CD C 49.896 0.3 1 1610 143 143 PRO CG C 28.884 0.3 1 1611 144 144 GLN H H 8.786 0.03 1 1612 144 144 GLN HA H 4.171 0.03 1 1613 144 144 GLN HB2 H 2.035 0.03 2 1614 144 144 GLN HB3 H 2.013 0.03 2 1615 144 144 GLN HE21 H 7.691 0.03 2 1616 144 144 GLN HE22 H 6.865 0.03 2 1617 144 144 GLN HG2 H 2.402 0.03 1 1618 144 144 GLN HG3 H 2.402 0.03 1 1619 144 144 GLN C C 178.632 0.3 1 1620 144 144 GLN CA C 59.257 0.3 1 1621 144 144 GLN CB C 28.489 0.3 1 1622 144 144 GLN CG C 34.178 0.3 1 1623 144 144 GLN N N 113.924 0.3 1 1624 144 144 GLN NE2 N 112.821 0.3 1 1625 145 145 ASP H H 8.087 0.03 1 1626 145 145 ASP HA H 4.700 0.03 1 1627 145 145 ASP HB2 H 2.525 0.03 2 1628 145 145 ASP HB3 H 2.817 0.03 2 1629 145 145 ASP C C 177.959 0.3 1 1630 145 145 ASP CA C 57.624 0.3 1 1631 145 145 ASP CB C 41.473 0.3 1 1632 145 145 ASP N N 120.598 0.3 1 1633 146 146 PHE H H 7.468 0.03 1 1634 146 146 PHE HA H 3.929 0.03 1 1635 146 146 PHE HB2 H 2.851 0.03 2 1636 146 146 PHE HB3 H 3.079 0.03 2 1637 146 146 PHE HD1 H 7.383 0.03 1 1638 146 146 PHE HD2 H 7.383 0.03 1 1639 146 146 PHE HE1 H 7.794 0.03 1 1640 146 146 PHE HE2 H 7.794 0.03 1 1641 146 146 PHE HZ H 8.134 0.03 1 1642 146 146 PHE C C 177.291 0.3 1 1643 146 146 PHE CA C 63.092 0.3 1 1644 146 146 PHE CB C 39.694 0.3 1 1645 146 146 PHE CD1 C 131.908 0.3 1 1646 146 146 PHE CD2 C 131.908 0.3 1 1647 146 146 PHE CE1 C 132.937 0.3 1 1648 146 146 PHE CE2 C 132.937 0.3 1 1649 146 146 PHE CZ C 131.225 0.3 1 1650 146 146 PHE N N 117.470 0.3 1 1651 147 147 GLU H H 7.539 0.03 1 1652 147 147 GLU HA H 3.069 0.03 1 1653 147 147 GLU HB2 H 2.084 0.03 2 1654 147 147 GLU HB3 H 1.797 0.03 2 1655 147 147 GLU HG2 H 2.145 0.03 1 1656 147 147 GLU HG3 H 2.145 0.03 1 1657 147 147 GLU C C 177.223 0.3 1 1658 147 147 GLU CA C 59.672 0.3 1 1659 147 147 GLU CB C 29.309 0.3 1 1660 147 147 GLU CG C 36.662 0.3 1 1661 147 147 GLU N N 119.275 0.3 1 1662 148 148 TYR H H 7.591 0.03 1 1663 148 148 TYR HA H 4.034 0.03 1 1664 148 148 TYR HB2 H 3.176 0.03 2 1665 148 148 TYR HB3 H 3.253 0.03 2 1666 148 148 TYR HD1 H 6.733 0.03 1 1667 148 148 TYR HD2 H 6.733 0.03 1 1668 148 148 TYR HE1 H 6.626 0.03 1 1669 148 148 TYR HE2 H 6.626 0.03 1 1670 148 148 TYR C C 178.916 0.3 1 1671 148 148 TYR CA C 62.237 0.3 1 1672 148 148 TYR CB C 38.278 0.3 1 1673 148 148 TYR CD1 C 133.059 0.3 1 1674 148 148 TYR CD2 C 133.059 0.3 1 1675 148 148 TYR CE1 C 118.694 0.3 1 1676 148 148 TYR CE2 C 118.694 0.3 1 1677 148 148 TYR N N 120.216 0.3 1 1678 149 149 ILE H H 7.745 0.03 1 1679 149 149 ILE HA H 3.616 0.03 1 1680 149 149 ILE HB H 1.931 0.03 1 1681 149 149 ILE HD1 H 0.130 0.03 1 1682 149 149 ILE HG12 H 0.962 0.03 2 1683 149 149 ILE HG13 H 1.176 0.03 2 1684 149 149 ILE HG2 H 0.395 0.03 1 1685 149 149 ILE C C 178.029 0.3 1 1686 149 149 ILE CA C 63.440 0.3 1 1687 149 149 ILE CB C 36.947 0.3 1 1688 149 149 ILE CD1 C 12.269 0.3 1 1689 149 149 ILE CG1 C 27.260 0.3 1 1690 149 149 ILE CG2 C 18.335 0.3 1 1691 149 149 ILE N N 119.396 0.3 1 1692 150 150 TRP H H 8.263 0.03 1 1693 150 150 TRP HA H 3.413 0.03 1 1694 150 150 TRP HB2 H 3.284 0.03 2 1695 150 150 TRP HB3 H 2.766 0.03 2 1696 150 150 TRP HD1 H 7.104 0.03 1 1697 150 150 TRP HE1 H 10.089 0.03 1 1698 150 150 TRP HE3 H 6.810 0.03 1 1699 150 150 TRP HH2 H 7.274 0.03 1 1700 150 150 TRP HZ2 H 7.267 0.03 1 1701 150 150 TRP HZ3 H 7.037 0.03 1 1702 150 150 TRP C C 176.802 0.3 1 1703 150 150 TRP CA C 60.243 0.3 1 1704 150 150 TRP CB C 29.099 0.3 1 1705 150 150 TRP CD1 C 127.465 0.3 1 1706 150 150 TRP CE3 C 120.615 0.3 1 1707 150 150 TRP CH2 C 124.446 0.3 1 1708 150 150 TRP CZ2 C 115.536 0.3 1 1709 150 150 TRP CZ3 C 120.659 0.3 1 1710 150 150 TRP N N 121.960 0.3 1 1711 150 150 TRP NE1 N 130.849 0.3 1 1712 151 151 GLN H H 8.128 0.03 1 1713 151 151 GLN HA H 3.784 0.03 1 1714 151 151 GLN HB2 H 1.858 0.03 2 1715 151 151 GLN HB3 H 1.993 0.03 2 1716 151 151 GLN HE21 H 7.471 0.03 2 1717 151 151 GLN HE22 H 6.816 0.03 2 1718 151 151 GLN HG2 H 2.595 0.03 2 1719 151 151 GLN HG3 H 2.444 0.03 2 1720 151 151 GLN C C 178.026 0.3 1 1721 151 151 GLN CA C 58.330 0.3 1 1722 151 151 GLN CB C 29.470 0.3 1 1723 151 151 GLN CG C 34.267 0.3 1 1724 151 151 GLN N N 112.643 0.3 1 1725 151 151 GLN NE2 N 111.179 0.3 1 1726 152 152 ASN H H 7.580 0.03 1 1727 152 152 ASN HA H 4.441 0.03 1 1728 152 152 ASN HB2 H 1.724 0.03 1 1729 152 152 ASN HB3 H 1.724 0.03 1 1730 152 152 ASN HD21 H 6.922 0.03 2 1731 152 152 ASN HD22 H 6.035 0.03 2 1732 152 152 ASN C C 174.687 0.3 1 1733 152 152 ASN CA C 55.164 0.3 1 1734 152 152 ASN CB C 41.116 0.3 1 1735 152 152 ASN N N 112.492 0.3 1 1736 152 152 ASN ND2 N 117.766 0.3 1 1737 153 153 PHE H H 8.644 0.03 1 1738 153 153 PHE HA H 4.556 0.03 1 1739 153 153 PHE HB2 H 3.127 0.03 2 1740 153 153 PHE HB3 H 2.795 0.03 2 1741 153 153 PHE HD1 H 7.029 0.03 1 1742 153 153 PHE HD2 H 7.029 0.03 1 1743 153 153 PHE HE1 H 7.187 0.03 1 1744 153 153 PHE HE2 H 7.187 0.03 1 1745 153 153 PHE HZ H 7.198 0.03 1 1746 153 153 PHE C C 174.260 0.3 1 1747 153 153 PHE CA C 58.393 0.3 1 1748 153 153 PHE CB C 41.806 0.3 1 1749 153 153 PHE CD1 C 131.549 0.3 1 1750 153 153 PHE CD2 C 131.549 0.3 1 1751 153 153 PHE CE1 C 131.508 0.3 1 1752 153 153 PHE CE2 C 131.508 0.3 1 1753 153 153 PHE CZ C 129.594 0.3 1 1754 153 153 PHE N N 114.223 0.3 1 1755 154 154 VAL H H 6.539 0.03 1 1756 154 154 VAL HA H 4.381 0.03 1 1757 154 154 VAL HB H 1.588 0.03 1 1758 154 154 VAL HG1 H 0.225 0.03 1 1759 154 154 VAL HG2 H 0.254 0.03 1 1760 154 154 VAL C C 175.442 0.3 1 1761 154 154 VAL CA C 62.108 0.3 1 1762 154 154 VAL CB C 31.744 0.3 1 1763 154 154 VAL CG1 C 21.238 0.3 2 1764 154 154 VAL CG2 C 23.928 0.3 2 1765 154 154 VAL N N 119.416 0.3 1 1766 155 155 GLU H H 8.473 0.03 1 1767 155 155 GLU HA H 3.989 0.03 1 1768 155 155 GLU HB2 H 1.568 0.03 2 1769 155 155 GLU HB3 H 1.766 0.03 2 1770 155 155 GLU HG2 H 2.047 0.03 2 1771 155 155 GLU HG3 H 2.001 0.03 2 1772 155 155 GLU C C 174.510 0.3 1 1773 155 155 GLU CA C 55.960 0.3 1 1774 155 155 GLU CB C 30.719 0.3 1 1775 155 155 GLU CG C 35.927 0.3 1 1776 155 155 GLU N N 130.252 0.3 1 1777 156 156 GLN H H 8.290 0.03 1 1778 156 156 GLN HA H 4.147 0.03 1 1779 156 156 GLN HB2 H 1.712 0.03 2 1780 156 156 GLN HB3 H 2.068 0.03 2 1781 156 156 GLN HE21 H 7.033 0.03 2 1782 156 156 GLN HE22 H 6.413 0.03 2 1783 156 156 GLN HG2 H 1.982 0.03 2 1784 156 156 GLN HG3 H 1.859 0.03 2 1785 156 156 GLN C C 175.810 0.3 1 1786 156 156 GLN CA C 55.318 0.3 1 1787 156 156 GLN CB C 29.843 0.3 1 1788 156 156 GLN CG C 34.071 0.3 1 1789 156 156 GLN N N 125.224 0.3 1 1790 156 156 GLN NE2 N 111.997 0.3 1 1791 157 157 GLU H H 8.768 0.03 1 1792 157 157 GLU HA H 4.210 0.03 1 1793 157 157 GLU HB2 H 1.874 0.03 2 1794 157 157 GLU HB3 H 2.057 0.03 2 1795 157 157 GLU HG2 H 2.324 0.03 2 1796 157 157 GLU HG3 H 2.269 0.03 2 1797 157 157 GLU C C 176.620 0.3 1 1798 157 157 GLU CA C 56.669 0.3 1 1799 157 157 GLU CB C 30.591 0.3 1 1800 157 157 GLU CG C 36.662 0.3 1 1801 157 157 GLU N N 122.337 0.3 1 1802 158 158 GLU H H 8.661 0.03 1 1803 158 158 GLU HA H 4.041 0.03 1 1804 158 158 GLU HB2 H 2.023 0.03 1 1805 158 158 GLU HB3 H 2.023 0.03 1 1806 158 158 GLU HG2 H 2.271 0.03 2 1807 158 158 GLU HG3 H 2.240 0.03 2 1808 158 158 GLU C C 177.214 0.3 1 1809 158 158 GLU CA C 57.880 0.3 1 1810 158 158 GLU CB C 29.552 0.3 1 1811 158 158 GLU CG C 36.226 0.3 1 1812 158 158 GLU N N 121.891 0.3 1 1813 159 159 GLY H H 8.567 0.03 1 1814 159 159 GLY HA2 H 3.728 0.03 2 1815 159 159 GLY HA3 H 4.150 0.03 2 1816 159 159 GLY C C 174.174 0.3 1 1817 159 159 GLY CA C 45.472 0.3 1 1818 159 159 GLY N N 111.063 0.3 1 1819 160 160 GLU H H 7.912 0.03 1 1820 160 160 GLU HA H 4.410 0.03 1 1821 160 160 GLU HB2 H 1.978 0.03 2 1822 160 160 GLU HB3 H 2.088 0.03 2 1823 160 160 GLU HG2 H 2.289 0.03 2 1824 160 160 GLU HG3 H 2.165 0.03 2 1825 160 160 GLU C C 175.921 0.3 1 1826 160 160 GLU CA C 55.873 0.3 1 1827 160 160 GLU CB C 31.277 0.3 1 1828 160 160 GLU CG C 36.356 0.3 1 1829 160 160 GLU N N 120.093 0.3 1 1830 161 161 SER H H 8.613 0.03 1 1831 161 161 SER HA H 4.390 0.03 1 1832 161 161 SER HB2 H 3.806 0.03 1 1833 161 161 SER HB3 H 3.806 0.03 1 1834 161 161 SER C C 174.649 0.3 1 1835 161 161 SER CA C 57.907 0.3 1 1836 161 161 SER CB C 63.262 0.3 1 1837 161 161 SER N N 117.663 0.3 1 1838 162 162 LYS H H 8.924 0.03 1 1839 162 162 LYS HA H 4.533 0.03 1 1840 162 162 LYS HB2 H 1.934 0.03 2 1841 162 162 LYS HB3 H 2.078 0.03 2 1842 162 162 LYS HD2 H 1.760 0.03 1 1843 162 162 LYS HD3 H 1.760 0.03 1 1844 162 162 LYS HE2 H 3.031 0.03 1 1845 162 162 LYS HE3 H 3.031 0.03 1 1846 162 162 LYS HG2 H 1.638 0.03 2 1847 162 162 LYS HG3 H 1.563 0.03 2 1848 162 162 LYS C C 177.047 0.3 1 1849 162 162 LYS CA C 55.959 0.3 1 1850 162 162 LYS CB C 34.326 0.3 1 1851 162 162 LYS CD C 29.181 0.3 1 1852 162 162 LYS CE C 42.395 0.3 1 1853 162 162 LYS CG C 25.281 0.3 1 1854 162 162 LYS N N 124.879 0.3 1 1855 163 163 ALA H H 8.443 0.03 1 1856 163 163 ALA HA H 4.413 0.03 1 1857 163 163 ALA HB H 1.360 0.03 1 1858 163 163 ALA C C 176.632 0.3 1 1859 163 163 ALA CA C 51.833 0.3 1 1860 163 163 ALA CB C 19.695 0.3 1 1861 163 163 ALA N N 125.572 0.3 1 1862 164 164 PHE H H 8.610 0.03 1 1863 164 164 PHE HA H 2.616 0.03 1 1864 164 164 PHE HB2 H 2.474 0.03 2 1865 164 164 PHE HB3 H 2.446 0.03 2 1866 164 164 PHE HD1 H 6.622 0.03 1 1867 164 164 PHE HD2 H 6.622 0.03 1 1868 164 164 PHE HE1 H 7.050 0.03 1 1869 164 164 PHE HE2 H 7.050 0.03 1 1870 164 164 PHE HZ H 6.201 0.03 1 1871 164 164 PHE CA C 57.032 0.3 1 1872 164 164 PHE CB C 39.383 0.3 1 1873 164 164 PHE CD1 C 131.170 0.3 1 1874 164 164 PHE CD2 C 131.170 0.3 1 1875 164 164 PHE CE1 C 130.952 0.3 1 1876 164 164 PHE CE2 C 130.952 0.3 1 1877 164 164 PHE CZ C 129.178 0.3 1 1878 164 164 PHE N N 121.222 0.3 1 1879 165 165 GLU H H 7.051 0.03 1 1880 165 165 GLU HA H 4.289 0.03 1 1881 165 165 GLU HB2 H 1.563 0.03 2 1882 165 165 GLU HB3 H 1.451 0.03 2 1883 165 165 GLU HG2 H 1.976 0.03 2 1884 165 165 GLU HG3 H 1.817 0.03 2 1885 165 165 GLU CA C 51.670 0.3 1 1886 165 165 GLU CB C 30.443 0.3 1 1887 165 165 GLU CG C 35.935 0.3 1 1888 165 165 GLU N N 129.918 0.3 1 1889 166 166 PRO HA H 2.997 0.03 1 1890 166 166 PRO HB2 H 1.766 0.03 2 1891 166 166 PRO HB3 H 1.650 0.03 2 1892 166 166 PRO HD2 H 3.421 0.03 2 1893 166 166 PRO HD3 H 2.988 0.03 2 1894 166 166 PRO HG2 H 1.751 0.03 2 1895 166 166 PRO HG3 H 1.707 0.03 2 1896 166 166 PRO CA C 62.356 0.3 1 1897 166 166 PRO CB C 32.094 0.3 1 1898 166 166 PRO CD C 50.556 0.3 1 1899 166 166 PRO CG C 26.667 0.3 1 1900 167 167 TRP H H 5.599 0.03 1 1901 167 167 TRP HA H 4.673 0.03 1 1902 167 167 TRP HB2 H 3.444 0.03 2 1903 167 167 TRP HB3 H 3.291 0.03 2 1904 167 167 TRP HD1 H 7.463 0.03 1 1905 167 167 TRP HE1 H 10.522 0.03 1 1906 167 167 TRP HE3 H 7.108 0.03 1 1907 167 167 TRP HH2 H 6.601 0.03 1 1908 167 167 TRP HZ2 H 6.498 0.03 1 1909 167 167 TRP HZ3 H 7.405 0.03 1 1910 167 167 TRP CA C 60.228 0.3 1 1911 167 167 TRP CB C 28.721 0.3 1 1912 167 167 TRP CD1 C 128.126 0.3 1 1913 167 167 TRP CE3 C 118.493 0.3 1 1914 167 167 TRP CH2 C 124.857 0.3 1 1915 167 167 TRP CZ2 C 117.469 0.3 1 1916 167 167 TRP N N 117.842 0.3 1 1917 167 167 TRP NE1 N 131.497 0.3 1 1918 168 168 GLU H H 9.195 0.03 1 1919 168 168 GLU HA H 4.045 0.03 1 1920 168 168 GLU HB2 H 2.068 0.03 1 1921 168 168 GLU HB3 H 2.068 0.03 1 1922 168 168 GLU HG2 H 2.353 0.03 1 1923 168 168 GLU HG3 H 2.353 0.03 1 1924 168 168 GLU CA C 59.353 0.3 1 1925 168 168 GLU CB C 29.741 0.3 1 1926 168 168 GLU CG C 36.232 0.3 1 1927 169 169 ASP H H 8.745 0.03 1 1928 169 169 ASP HA H 5.052 0.03 1 1929 169 169 ASP HB2 H 3.153 0.03 2 1930 170 170 ILE H H 7.304 0.03 1 1931 170 170 ILE HA H 4.306 0.03 1 1932 170 170 ILE HB H 1.285 0.03 1 1933 170 170 ILE HG12 H 1.777 0.03 2 1934 170 170 ILE HG13 H 1.253 0.03 2 1935 170 170 ILE HG2 H 0.965 0.03 1 1936 170 170 ILE CA C 65.775 0.3 1 1937 170 170 ILE CB C 38.480 0.3 1 1938 170 170 ILE CG1 C 28.699 0.3 1 1939 170 170 ILE CG2 C 15.984 0.3 1 1940 171 171 GLN H H 8.395 0.03 1 1941 171 171 GLN HA H 4.521 0.03 1 1942 171 171 GLN HB2 H 2.240 0.03 2 1943 171 171 GLN HB3 H 2.103 0.03 2 1944 171 171 GLN HE21 H 7.354 0.03 2 1945 171 171 GLN HE22 H 6.756 0.03 2 1946 171 171 GLN HG2 H 2.594 0.03 2 1947 171 171 GLN HG3 H 2.403 0.03 2 1948 171 171 GLN CA C 58.620 0.3 1 1949 171 171 GLN CB C 28.333 0.3 1 1950 171 171 GLN CG C 33.046 0.3 1 1951 171 171 GLN N N 123.400 0.3 1 1952 171 171 GLN NE2 N 108.606 0.3 1 1953 172 172 GLU H H 9.001 0.03 1 1954 172 172 GLU HA H 3.955 0.03 1 1955 172 172 GLU HB2 H 2.076 0.03 2 1956 172 172 GLU HB3 H 1.990 0.03 2 1957 172 172 GLU HG2 H 2.573 0.03 2 1958 172 172 GLU HG3 H 2.315 0.03 2 1959 172 172 GLU CA C 61.085 0.3 1 1960 172 172 GLU CB C 28.864 0.3 1 1961 172 172 GLU CG C 37.620 0.3 1 1962 173 173 ASN H H 8.762 0.03 1 1963 173 173 ASN HA H 4.611 0.03 1 1964 173 173 ASN HB2 H 3.384 0.03 2 1965 173 173 ASN HB3 H 2.926 0.03 2 1966 173 173 ASN HD21 H 7.509 0.03 2 1967 173 173 ASN CA C 55.706 0.3 1 1968 173 173 ASN CB C 38.037 0.3 1 1969 174 174 PHE H H 8.125 0.03 1 1970 174 174 PHE HA H 5.005 0.03 1 1971 174 174 PHE HB2 H 3.545 0.03 2 1972 174 174 PHE HB3 H 3.940 0.03 2 1973 174 174 PHE HD1 H 7.458 0.03 1 1974 174 174 PHE HD2 H 7.458 0.03 1 1975 174 174 PHE HE1 H 7.340 0.03 1 1976 174 174 PHE HE2 H 7.340 0.03 1 1977 174 174 PHE HZ H 7.324 0.03 1 1978 174 174 PHE C C 176.377 0.3 1 1979 174 174 PHE CA C 60.795 0.3 1 1980 174 174 PHE CB C 37.794 0.3 1 1981 174 174 PHE CD1 C 133.412 0.3 1 1982 174 174 PHE CD2 C 133.412 0.3 1 1983 174 174 PHE CE1 C 131.293 0.3 1 1984 174 174 PHE CE2 C 131.293 0.3 1 1985 174 174 PHE CZ C 130.409 0.3 1 1986 175 175 LEU H H 8.128 0.03 1 1987 175 175 LEU HA H 3.415 0.03 1 1988 175 175 LEU HB2 H 1.398 0.03 2 1989 175 175 LEU HB3 H 1.880 0.03 2 1990 175 175 LEU HD1 H 0.972 0.03 1 1991 175 175 LEU HD2 H 0.844 0.03 1 1992 175 175 LEU HG H 1.859 0.03 1 1993 175 175 LEU C C 180.027 0.3 1 1994 175 175 LEU CA C 57.769 0.3 1 1995 175 175 LEU CB C 41.865 0.3 1 1996 175 175 LEU CD1 C 25.978 0.3 2 1997 175 175 LEU CD2 C 23.227 0.3 2 1998 175 175 LEU CG C 26.723 0.3 1 1999 175 175 LEU N N 120.544 0.3 1 2000 176 176 TYR H H 7.907 0.03 1 2001 176 176 TYR HA H 4.081 0.03 1 2002 176 176 TYR HB2 H 3.084 0.03 1 2003 176 176 TYR HB3 H 3.084 0.03 1 2004 176 176 TYR HD1 H 6.296 0.03 1 2005 176 176 TYR HD2 H 6.296 0.03 1 2006 176 176 TYR HE1 H 6.498 0.03 1 2007 176 176 TYR HE2 H 6.498 0.03 1 2008 176 176 TYR C C 177.637 0.3 1 2009 176 176 TYR CA C 61.132 0.3 1 2010 176 176 TYR CB C 38.278 0.3 1 2011 176 176 TYR CD1 C 133.343 0.3 1 2012 176 176 TYR CD2 C 133.343 0.3 1 2013 176 176 TYR CE1 C 117.959 0.3 1 2014 176 176 TYR CE2 C 117.959 0.3 1 2015 176 176 TYR N N 120.407 0.3 1 2016 177 177 TYR H H 8.053 0.03 1 2017 177 177 TYR HA H 3.916 0.03 1 2018 177 177 TYR HB2 H 2.958 0.03 2 2019 177 177 TYR HB3 H 3.172 0.03 2 2020 177 177 TYR HD1 H 7.216 0.03 1 2021 177 177 TYR HD2 H 7.216 0.03 1 2022 177 177 TYR HE1 H 7.121 0.03 1 2023 177 177 TYR HE2 H 7.121 0.03 1 2024 177 177 TYR C C 177.518 0.3 1 2025 177 177 TYR CA C 62.588 0.3 1 2026 177 177 TYR CB C 38.317 0.3 1 2027 177 177 TYR CD1 C 133.481 0.3 1 2028 177 177 TYR CD2 C 133.481 0.3 1 2029 177 177 TYR CE1 C 118.750 0.3 1 2030 177 177 TYR CE2 C 118.750 0.3 1 2031 177 177 TYR N N 117.344 0.3 1 2032 178 178 GLU H H 9.327 0.03 1 2033 178 178 GLU HA H 3.887 0.03 1 2034 178 178 GLU HB2 H 1.721 0.03 2 2035 178 178 GLU HB3 H 1.643 0.03 2 2036 178 178 GLU HG2 H 2.124 0.03 2 2037 178 178 GLU HG3 H 2.030 0.03 2 2038 178 178 GLU C C 179.188 0.3 1 2039 178 178 GLU CA C 60.059 0.3 1 2040 178 178 GLU CB C 29.566 0.3 1 2041 178 178 GLU CG C 36.282 0.3 1 2042 178 178 GLU N N 123.250 0.3 1 2043 179 179 GLU H H 7.623 0.03 1 2044 179 179 GLU HA H 3.957 0.03 1 2045 179 179 GLU HB2 H 1.921 0.03 2 2046 179 179 GLU HB3 H 1.997 0.03 2 2047 179 179 GLU HG2 H 2.278 0.03 2 2048 179 179 GLU HG3 H 2.028 0.03 2 2049 179 179 GLU C C 178.528 0.3 1 2050 179 179 GLU CA C 59.175 0.3 1 2051 179 179 GLU CB C 29.458 0.3 1 2052 179 179 GLU CG C 36.228 0.3 1 2053 179 179 GLU N N 119.641 0.3 1 2054 180 180 LYS H H 7.161 0.03 1 2055 180 180 LYS HA H 3.786 0.03 1 2056 180 180 LYS HB2 H 1.319 0.03 2 2057 180 180 LYS HB3 H 0.925 0.03 2 2058 180 180 LYS HD2 H 0.675 0.03 2 2059 180 180 LYS HD3 H 0.531 0.03 2 2060 180 180 LYS HE2 H 2.185 0.03 2 2061 180 180 LYS HE3 H 1.862 0.03 2 2062 180 180 LYS HG2 H 0.635 0.03 2 2063 180 180 LYS HG3 H 0.008 0.03 2 2064 180 180 LYS C C 179.202 0.3 1 2065 180 180 LYS CA C 57.368 0.3 1 2066 180 180 LYS CB C 30.788 0.3 1 2067 180 180 LYS CD C 26.578 0.3 1 2068 180 180 LYS CE C 41.926 0.3 1 2069 180 180 LYS CG C 22.789 0.3 1 2070 180 180 LYS N N 116.481 0.3 1 2071 181 181 LEU H H 8.511 0.03 1 2072 181 181 LEU HA H 3.963 0.03 1 2073 181 181 LEU HB2 H 1.405 0.03 2 2074 181 181 LEU HB3 H 2.017 0.03 2 2075 181 181 LEU HD1 H 0.849 0.03 1 2076 181 181 LEU HD2 H 0.891 0.03 1 2077 181 181 LEU HG H 1.718 0.03 1 2078 181 181 LEU C C 177.743 0.3 1 2079 181 181 LEU CA C 57.752 0.3 1 2080 181 181 LEU CB C 41.140 0.3 1 2081 181 181 LEU CD1 C 25.449 0.3 2 2082 181 181 LEU CD2 C 22.875 0.3 2 2083 181 181 LEU CG C 26.664 0.3 1 2084 181 181 LEU N N 118.964 0.3 1 2085 182 182 ALA H H 8.002 0.03 1 2086 182 182 ALA HA H 4.020 0.03 1 2087 182 182 ALA HB H 1.454 0.03 1 2088 182 182 ALA C C 180.625 0.3 1 2089 182 182 ALA CA C 55.190 0.3 1 2090 182 182 ALA CB C 17.924 0.3 1 2091 182 182 ALA N N 120.335 0.3 1 2092 183 183 ASP H H 7.758 0.03 1 2093 183 183 ASP HA H 4.400 0.03 1 2094 183 183 ASP HB2 H 2.682 0.03 2 2095 183 183 ASP HB3 H 2.789 0.03 2 2096 183 183 ASP C C 178.793 0.3 1 2097 183 183 ASP CA C 57.256 0.3 1 2098 183 183 ASP CB C 41.140 0.3 1 2099 183 183 ASP N N 117.269 0.3 1 2100 184 184 ILE H H 7.785 0.03 1 2101 184 184 ILE HA H 3.794 0.03 1 2102 184 184 ILE HB H 2.024 0.03 1 2103 184 184 ILE HD1 H 1.072 0.03 1 2104 184 184 ILE HG12 H 2.074 0.03 2 2105 184 184 ILE HG13 H 1.071 0.03 2 2106 184 184 ILE HG2 H 1.017 0.03 1 2107 184 184 ILE C C 177.790 0.3 1 2108 184 184 ILE CA C 65.002 0.3 1 2109 184 184 ILE CB C 39.075 0.3 1 2110 184 184 ILE CD1 C 14.970 0.3 1 2111 184 184 ILE CG1 C 29.550 0.3 1 2112 184 184 ILE CG2 C 18.163 0.3 1 2113 184 184 ILE N N 119.587 0.3 1 2114 185 185 LEU H H 8.167 0.03 1 2115 185 185 LEU HA H 4.214 0.03 1 2116 185 185 LEU HB2 H 1.536 0.03 2 2117 185 185 LEU HB3 H 1.871 0.03 2 2118 185 185 LEU HD1 H 0.941 0.03 1 2119 185 185 LEU HD2 H 0.761 0.03 1 2120 185 185 LEU HG H 1.923 0.03 1 2121 185 185 LEU C C 177.599 0.3 1 2122 185 185 LEU CA C 55.797 0.3 1 2123 185 185 LEU CB C 41.268 0.3 1 2124 185 185 LEU CD1 C 26.065 0.3 2 2125 185 185 LEU CD2 C 22.391 0.3 2 2126 185 185 LEU CG C 26.363 0.3 1 2127 185 185 LEU N N 115.663 0.3 1 2128 186 186 LYS H H 7.567 0.03 1 2129 186 186 LYS HA H 4.276 0.03 1 2130 186 186 LYS HB2 H 1.914 0.03 2 2131 186 186 LYS HB3 H 2.011 0.03 2 2132 186 186 LYS HD2 H 1.715 0.03 1 2133 186 186 LYS HD3 H 1.715 0.03 1 2134 186 186 LYS HE2 H 3.012 0.03 1 2135 186 186 LYS HE3 H 3.012 0.03 1 2136 186 186 LYS HG2 H 1.458 0.03 2 2137 186 186 LYS HG3 H 1.557 0.03 2 2138 186 186 LYS C C 176.536 0.3 1 2139 186 186 LYS CA C 57.240 0.3 1 2140 186 186 LYS CB C 32.384 0.3 1 2141 186 186 LYS CD C 29.566 0.3 1 2142 186 186 LYS CE C 42.357 0.3 1 2143 186 186 LYS CG C 24.483 0.3 1 2144 186 186 LYS N N 118.990 0.3 1 2145 187 187 SER H H 8.113 0.03 1 2146 187 187 SER HA H 4.512 0.03 1 2147 187 187 SER HB2 H 3.946 0.03 1 2148 187 187 SER HB3 H 3.946 0.03 1 2149 187 187 SER C C 174.636 0.3 1 2150 187 187 SER CA C 58.617 0.3 1 2151 187 187 SER CB C 64.415 0.3 1 2152 187 187 SER N N 116.330 0.3 1 2153 188 188 GLY H H 8.324 0.03 1 2154 188 188 GLY HA2 H 4.210 0.03 2 2155 188 188 GLY HA3 H 4.103 0.03 2 2156 188 188 GLY CA C 44.788 0.3 1 2157 188 188 GLY N N 110.533 0.3 1 2158 189 189 PRO HA H 4.501 0.03 1 2159 189 189 PRO HB2 H 1.997 0.03 2 2160 189 189 PRO HB3 H 2.311 0.03 2 2161 189 189 PRO HD2 H 3.641 0.03 1 2162 189 189 PRO HD3 H 3.641 0.03 1 2163 189 189 PRO HG2 H 2.031 0.03 1 2164 189 189 PRO HG3 H 2.031 0.03 1 2165 189 189 PRO C C 177.436 0.3 1 2166 189 189 PRO CA C 63.358 0.3 1 2167 189 189 PRO CB C 32.356 0.3 1 2168 189 189 PRO CD C 49.910 0.3 1 2169 189 189 PRO CG C 27.314 0.3 1 2170 190 190 SER H H 8.590 0.03 1 2171 190 190 SER HA H 4.507 0.03 1 2172 190 190 SER HB2 H 3.930 0.03 1 2173 190 190 SER HB3 H 3.930 0.03 1 2174 190 190 SER C C 174.642 0.3 1 2175 190 190 SER CA C 58.481 0.3 1 2176 190 190 SER CB C 63.850 0.3 1 2177 190 190 SER N N 116.531 0.3 1 2178 191 191 SER H H 8.339 0.03 1 2179 191 191 SER HA H 4.512 0.03 1 2180 191 191 SER HB2 H 3.902 0.03 1 2181 191 191 SER HB3 H 3.902 0.03 1 2182 191 191 SER C C 173.935 0.3 1 2183 191 191 SER CA C 58.430 0.3 1 2184 191 191 SER CB C 64.073 0.3 1 2185 191 191 SER N N 117.712 0.3 1 2186 192 192 GLY H H 8.065 0.03 1 2187 192 192 GLY HA2 H 3.792 0.03 1 2188 192 192 GLY HA3 H 3.792 0.03 1 2189 192 192 GLY C C 179.006 0.3 1 2190 192 192 GLY CA C 46.342 0.3 1 2191 192 192 GLY N N 116.903 0.3 1 stop_ save_