data_15315 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments for the discoidin domain of DDR2. ; _BMRB_accession_number 15315 _BMRB_flat_file_name bmr15315.str _Entry_type original _Submission_date 2007-06-19 _Accession_date 2007-06-19 _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 Ichikawa Osamu . . 2 Osawa Masonori . . 3 Nishida Noritaka . . 4 Goshima Naoki . . 5 Nomura Nobuo . . 6 Shimada Ichio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 903 "13C chemical shifts" 633 "15N chemical shifts" 166 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-02-29 original author . stop_ _Original_release_date 2008-02-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of the collagen-binding mode of discoidin domain receptor 2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17703188 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ichikawa Osamu . . 2 Osawa Masonori . . 3 Nishida Noritaka . . 4 Goshima Naoki . . 5 Nomura Nobuo . . 6 Shimada Ichio . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 26 _Journal_issue 18 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4168 _Page_last 4176 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DDR2-DS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DDR2-DS $DDR2-DS 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_DDR2-DS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DDR2-DS _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; NPAICRYPLGMSGGQIPDED ITASSQWSESTAAKYGRLDS EEGDGAWCPEIPVEPDDLKE FLQIDLHTLHFITLVGTQGR HAGGHGIEFAPMYKINYSRD GTRWISWRNRHGKQVLDGNS NPYDIFLKDLEPPIVARFVR FIPVTDHSMNVCMRVELYGC V ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 26 ASN 2 27 PRO 3 28 ALA 4 29 ILE 5 30 CYS 6 31 ARG 7 32 TYR 8 33 PRO 9 34 LEU 10 35 GLY 11 36 MET 12 37 SER 13 38 GLY 14 39 GLY 15 40 GLN 16 41 ILE 17 42 PRO 18 43 ASP 19 44 GLU 20 45 ASP 21 46 ILE 22 47 THR 23 48 ALA 24 49 SER 25 50 SER 26 51 GLN 27 52 TRP 28 53 SER 29 54 GLU 30 55 SER 31 56 THR 32 57 ALA 33 58 ALA 34 59 LYS 35 60 TYR 36 61 GLY 37 62 ARG 38 63 LEU 39 64 ASP 40 65 SER 41 66 GLU 42 67 GLU 43 68 GLY 44 69 ASP 45 70 GLY 46 71 ALA 47 72 TRP 48 73 CYS 49 74 PRO 50 75 GLU 51 76 ILE 52 77 PRO 53 78 VAL 54 79 GLU 55 80 PRO 56 81 ASP 57 82 ASP 58 83 LEU 59 84 LYS 60 85 GLU 61 86 PHE 62 87 LEU 63 88 GLN 64 89 ILE 65 90 ASP 66 91 LEU 67 92 HIS 68 93 THR 69 94 LEU 70 95 HIS 71 96 PHE 72 97 ILE 73 98 THR 74 99 LEU 75 100 VAL 76 101 GLY 77 102 THR 78 103 GLN 79 104 GLY 80 105 ARG 81 106 HIS 82 107 ALA 83 108 GLY 84 109 GLY 85 110 HIS 86 111 GLY 87 112 ILE 88 113 GLU 89 114 PHE 90 115 ALA 91 116 PRO 92 117 MET 93 118 TYR 94 119 LYS 95 120 ILE 96 121 ASN 97 122 TYR 98 123 SER 99 124 ARG 100 125 ASP 101 126 GLY 102 127 THR 103 128 ARG 104 129 TRP 105 130 ILE 106 131 SER 107 132 TRP 108 133 ARG 109 134 ASN 110 135 ARG 111 136 HIS 112 137 GLY 113 138 LYS 114 139 GLN 115 140 VAL 116 141 LEU 117 142 ASP 118 143 GLY 119 144 ASN 120 145 SER 121 146 ASN 122 147 PRO 123 148 TYR 124 149 ASP 125 150 ILE 126 151 PHE 127 152 LEU 128 153 LYS 129 154 ASP 130 155 LEU 131 156 GLU 132 157 PRO 133 158 PRO 134 159 ILE 135 160 VAL 136 161 ALA 137 162 ARG 138 163 PHE 139 164 VAL 140 165 ARG 141 166 PHE 142 167 ILE 143 168 PRO 144 169 VAL 145 170 THR 146 171 ASP 147 172 HIS 148 173 SER 149 174 MET 150 175 ASN 151 176 VAL 152 177 CYS 153 178 MET 154 179 ARG 155 180 VAL 156 181 GLU 157 182 LEU 158 183 TYR 159 184 GLY 160 185 CYS 161 186 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2WUH "Crystal Structure Of The Ddr2 Discoidin Domain Bound To A Triple-Helical Collagen Peptide" 100.00 178 100.00 100.00 5.11e-116 PDB 2Z4F "Solution Structure Of The Discoidin Domain Of Ddr2" 100.00 173 100.00 100.00 1.28e-116 DBJ BAG37013 "unnamed protein product [Homo sapiens]" 100.00 855 100.00 100.00 1.40e-110 DBJ BAG53183 "unnamed protein product [Homo sapiens]" 100.00 855 100.00 100.00 1.40e-110 EMBL CAA52777 "protein-tyrosine kinase [Homo sapiens]" 100.00 855 100.00 100.00 1.40e-110 EMBL CAE45946 "hypothetical protein [Homo sapiens]" 100.00 855 100.00 100.00 1.66e-110 GB AAH52998 "Discoidin domain receptor tyrosine kinase 2 [Homo sapiens]" 100.00 855 100.00 100.00 1.40e-110 GB AAI34427 "DDR2 protein [Bos taurus]" 100.00 855 98.14 99.38 4.24e-109 GB ACE86808 "discoidin domain receptor tyrosine kinase 2 protein [synthetic construct]" 100.00 855 100.00 100.00 1.66e-110 GB ACE87495 "discoidin domain receptor tyrosine kinase 2 protein [synthetic construct]" 100.00 855 100.00 100.00 1.66e-110 GB EAW90713 "discoidin domain receptor family, member 2, isoform CRA_a [Homo sapiens]" 100.00 855 100.00 100.00 1.40e-110 REF NP_001014796 "discoidin domain-containing receptor 2 precursor [Homo sapiens]" 100.00 855 100.00 100.00 1.40e-110 REF NP_001077189 "discoidin domain-containing receptor 2 precursor [Bos taurus]" 100.00 855 98.14 99.38 4.24e-109 REF NP_006173 "discoidin domain-containing receptor 2 precursor [Homo sapiens]" 100.00 855 100.00 100.00 1.40e-110 REF XP_001118219 "PREDICTED: discoidin domain-containing receptor 2-like isoform 4 [Macaca mulatta]" 100.00 855 100.00 100.00 1.60e-110 REF XP_001174340 "PREDICTED: discoidin domain-containing receptor 2 [Pan troglodytes]" 100.00 855 100.00 100.00 1.14e-110 SP Q16832 "RecName: Full=Discoidin domain-containing receptor 2; Short=Discoidin domain receptor 2; AltName: Full=CD167 antigen-like famil" 100.00 855 100.00 100.00 1.40e-110 TPG DAA31987 "TPA: discoidin domain-containing receptor 2 [Bos taurus]" 100.00 855 98.14 99.38 3.77e-109 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DDR2-DS 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 $DDR2-DS 'recombinant technology' . Pichia pastoris . pPICZaA 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 $DDR2-DS 0.4 mM '[U-98% 13C; U-98% 15N]' 'PHOSHATE BUFFER' 10 mM 'natural abundance' NACL 100 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DDR2-DS 0.4 mM '[U-98% 13C; U-98% 15N]' 'PHOSHATE BUFFER' 10 mM 'natural abundance' NACL 100 mM 'natural abundance' D2O 5 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DDR2-DS 0.4 mM '[U-98% 15N]' 'PHOSHATE BUFFER' 10 mM 'natural abundance' NACL 100 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing 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_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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' 0.1 . M 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name DDR2-DS _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 26 1 ASN H H 7.816 0.030 1 2 26 1 ASN HA H 4.788 0.030 1 3 26 1 ASN HB2 H 2.558 0.030 2 4 26 1 ASN HB3 H 2.723 0.030 2 5 26 1 ASN C C 170.894 0.300 1 6 26 1 ASN CA C 46.538 0.300 1 7 26 1 ASN CB C 36.667 0.300 1 8 26 1 ASN N N 123.795 0.300 1 9 27 2 PRO HA H 3.803 0.030 1 10 27 2 PRO HB2 H 1.899 0.030 2 11 27 2 PRO HB3 H 2.208 0.030 2 12 27 2 PRO HD2 H 3.397 0.030 2 13 27 2 PRO HD3 H 3.677 0.030 2 14 27 2 PRO HG2 H 1.915 0.030 2 15 27 2 PRO HG3 H 1.915 0.030 2 16 27 2 PRO C C 174.376 0.300 1 17 27 2 PRO CA C 61.634 0.300 1 18 27 2 PRO CB C 29.334 0.300 1 19 27 2 PRO CD C 48.153 0.300 1 20 27 2 PRO CG C 24.231 0.300 1 21 28 3 ALA H H 7.587 0.030 1 22 28 3 ALA HA H 3.924 0.030 1 23 28 3 ALA HB H 1.249 0.030 1 24 28 3 ALA C C 175.929 0.300 1 25 28 3 ALA CA C 51.375 0.300 1 26 28 3 ALA CB C 15.891 0.300 1 27 28 3 ALA N N 118.786 0.300 1 28 29 4 ILE H H 6.881 0.030 1 29 29 4 ILE HA H 4.221 0.030 1 30 29 4 ILE HB H 1.984 0.030 1 31 29 4 ILE HD1 H 0.797 0.030 1 32 29 4 ILE HG12 H 0.969 0.030 2 33 29 4 ILE HG13 H 1.265 0.030 2 34 29 4 ILE HG2 H 0.795 0.030 1 35 29 4 ILE C C 172.721 0.300 1 36 29 4 ILE CA C 57.670 0.300 1 37 29 4 ILE CB C 35.709 0.300 1 38 29 4 ILE CD1 C 10.629 0.300 1 39 29 4 ILE CG1 C 24.138 0.300 1 40 29 4 ILE CG2 C 14.993 0.300 1 41 29 4 ILE N N 111.012 0.300 1 42 30 5 CYS H H 7.532 0.030 1 43 30 5 CYS HA H 4.643 0.030 1 44 30 5 CYS HB2 H 2.705 0.030 2 45 30 5 CYS HB3 H 3.068 0.030 2 46 30 5 CYS C C 170.211 0.300 1 47 30 5 CYS CA C 53.368 0.300 1 48 30 5 CYS CB C 42.711 0.300 1 49 30 5 CYS N N 122.552 0.300 1 50 31 6 ARG H H 7.807 0.030 1 51 31 6 ARG HA H 4.143 0.030 1 52 31 6 ARG HB2 H 1.304 0.030 2 53 31 6 ARG HB3 H 1.726 0.030 2 54 31 6 ARG HD2 H 2.865 0.030 2 55 31 6 ARG HD3 H 2.975 0.030 2 56 31 6 ARG HE H 6.819 0.030 1 57 31 6 ARG HG2 H 1.190 0.030 2 58 31 6 ARG HG3 H 1.190 0.030 2 59 31 6 ARG C C 171.952 0.300 1 60 31 6 ARG CA C 52.533 0.300 1 61 31 6 ARG CB C 27.538 0.300 1 62 31 6 ARG CD C 41.084 0.300 1 63 31 6 ARG CG C 23.974 0.300 1 64 31 6 ARG N N 122.299 0.300 1 65 31 6 ARG NE N 84.055 0.300 1 66 32 7 TYR H H 8.471 0.030 1 67 32 7 TYR HA H 4.894 0.030 1 68 32 7 TYR HB2 H 3.084 0.030 2 69 32 7 TYR HB3 H 3.084 0.030 2 70 32 7 TYR HD1 H 7.377 0.030 1 71 32 7 TYR HD2 H 7.377 0.030 1 72 32 7 TYR HE1 H 6.904 0.030 1 73 32 7 TYR HE2 H 6.904 0.030 1 74 32 7 TYR C C 171.671 0.300 1 75 32 7 TYR CA C 53.669 0.300 1 76 32 7 TYR CB C 34.622 0.300 1 77 32 7 TYR CD1 C 131.133 0.300 1 78 32 7 TYR CE1 C 115.775 0.300 1 79 32 7 TYR N N 122.239 0.300 1 80 33 8 PRO HA H 4.261 0.030 1 81 33 8 PRO HB2 H 2.014 0.030 2 82 33 8 PRO HB3 H 1.827 0.030 2 83 33 8 PRO HD2 H 3.875 0.030 2 84 33 8 PRO HD3 H 4.084 0.030 2 85 33 8 PRO HG2 H 2.190 0.030 2 86 33 8 PRO HG3 H 2.248 0.030 2 87 33 8 PRO C C 176.825 0.300 1 88 33 8 PRO CA C 60.024 0.300 1 89 33 8 PRO CB C 28.690 0.300 1 90 33 8 PRO CD C 47.574 0.300 1 91 33 8 PRO CG C 25.322 0.300 1 92 34 9 LEU H H 8.793 0.030 1 93 34 9 LEU HA H 4.211 0.030 1 94 34 9 LEU HB2 H 1.312 0.030 2 95 34 9 LEU HB3 H 1.312 0.030 2 96 34 9 LEU HD1 H 0.543 0.030 2 97 34 9 LEU HD2 H 0.746 0.030 2 98 34 9 LEU HG H 1.642 0.030 1 99 34 9 LEU C C 174.037 0.300 1 100 34 9 LEU CA C 52.920 0.300 1 101 34 9 LEU CB C 38.761 0.300 1 102 34 9 LEU CD1 C 23.182 0.300 1 103 34 9 LEU CD2 C 19.583 0.300 1 104 34 9 LEU CG C 23.814 0.300 1 105 34 9 LEU N N 121.960 0.300 1 106 35 10 GLY H H 7.151 0.030 1 107 35 10 GLY HA2 H 4.708 0.030 2 108 35 10 GLY HA3 H 4.160 0.030 2 109 35 10 GLY C C 174.033 0.300 1 110 35 10 GLY CA C 44.364 0.300 1 111 35 10 GLY N N 102.274 0.300 1 112 36 11 MET H H 10.393 0.030 1 113 36 11 MET HA H 4.530 0.030 1 114 36 11 MET HB2 H 2.428 0.030 2 115 36 11 MET HB3 H 2.428 0.030 2 116 36 11 MET HE H 1.744 0.030 1 117 36 11 MET HG2 H 2.393 0.030 2 118 36 11 MET HG3 H 2.393 0.030 2 119 36 11 MET C C 176.689 0.300 1 120 36 11 MET CA C 53.508 0.300 1 121 36 11 MET CB C 29.921 0.300 1 122 36 11 MET CE C 14.694 0.300 1 123 36 11 MET CG C 29.517 0.300 1 124 36 11 MET N N 124.341 0.300 1 125 37 12 SER H H 9.239 0.030 1 126 37 12 SER HA H 4.231 0.030 1 127 37 12 SER HB2 H 3.873 0.030 2 128 37 12 SER HB3 H 3.873 0.030 2 129 37 12 SER C C 175.372 0.300 1 130 37 12 SER CA C 58.079 0.300 1 131 37 12 SER CB C 61.213 0.300 1 132 37 12 SER N N 115.500 0.300 1 133 38 13 GLY H H 8.903 0.030 1 134 38 13 GLY HA2 H 4.016 0.030 2 135 38 13 GLY HA3 H 3.943 0.030 2 136 38 13 GLY C C 172.763 0.300 1 137 38 13 GLY CA C 42.865 0.300 1 138 38 13 GLY N N 106.816 0.300 1 139 39 14 GLY H H 7.027 0.030 1 140 39 14 GLY HA2 H 3.550 0.030 2 141 39 14 GLY HA3 H 4.143 0.030 2 142 39 14 GLY C C 171.349 0.300 1 143 39 14 GLY CA C 42.531 0.300 1 144 39 14 GLY N N 104.784 0.300 1 145 40 15 GLN H H 8.423 0.030 1 146 40 15 GLN HA H 3.916 0.030 1 147 40 15 GLN HB2 H 2.062 0.030 2 148 40 15 GLN HB3 H 2.062 0.030 2 149 40 15 GLN HE21 H 7.269 0.030 2 150 40 15 GLN HE22 H 6.587 0.030 2 151 40 15 GLN HG2 H 2.255 0.030 2 152 40 15 GLN HG3 H 2.567 0.030 2 153 40 15 GLN C C 175.658 0.300 1 154 40 15 GLN CA C 57.186 0.300 1 155 40 15 GLN CB C 24.272 0.300 1 156 40 15 GLN CG C 31.959 0.300 1 157 40 15 GLN N N 120.971 0.300 1 158 40 15 GLN NE2 N 110.347 0.300 1 159 41 16 ILE H H 7.560 0.030 1 160 41 16 ILE HA H 4.355 0.030 1 161 41 16 ILE HB H 1.255 0.030 1 162 41 16 ILE HD1 H 0.381 0.030 1 163 41 16 ILE HG12 H 1.499 0.030 2 164 41 16 ILE HG13 H 1.499 0.030 2 165 41 16 ILE HG2 H 0.871 0.030 1 166 41 16 ILE CA C 56.255 0.300 1 167 41 16 ILE CB C 36.698 0.300 1 168 41 16 ILE CD1 C 11.141 0.300 1 169 41 16 ILE CG1 C 25.221 0.300 1 170 41 16 ILE CG2 C 14.450 0.300 1 171 41 16 ILE N N 120.025 0.300 1 172 42 17 PRO HA H 4.465 0.030 1 173 42 17 PRO HB2 H 2.111 0.030 2 174 42 17 PRO HB3 H 2.204 0.030 2 175 42 17 PRO HD2 H 3.881 0.030 2 176 42 17 PRO HD3 H 3.881 0.030 2 177 42 17 PRO HG2 H 1.705 0.030 2 178 42 17 PRO HG3 H 1.919 0.030 2 179 42 17 PRO C C 173.718 0.300 1 180 42 17 PRO CA C 59.606 0.300 1 181 42 17 PRO CB C 30.189 0.300 1 182 42 17 PRO CD C 48.496 0.300 1 183 42 17 PRO CG C 24.934 0.300 1 184 43 18 ASP H H 8.695 0.030 1 185 43 18 ASP HA H 3.930 0.030 1 186 43 18 ASP HB2 H 2.384 0.030 2 187 43 18 ASP HB3 H 2.450 0.030 2 188 43 18 ASP C C 175.344 0.300 1 189 43 18 ASP CA C 55.211 0.300 1 190 43 18 ASP CB C 38.208 0.300 1 191 43 18 ASP N N 119.470 0.300 1 192 44 19 GLU H H 8.943 0.030 1 193 44 19 GLU HA H 4.014 0.030 1 194 44 19 GLU HB2 H 1.968 0.030 2 195 44 19 GLU HB3 H 1.968 0.030 2 196 44 19 GLU HG2 H 2.195 0.030 2 197 44 19 GLU HG3 H 2.195 0.030 2 198 44 19 GLU C C 173.903 0.300 1 199 44 19 GLU CA C 56.006 0.300 1 200 44 19 GLU CB C 25.963 0.300 1 201 44 19 GLU CG C 33.395 0.300 1 202 44 19 GLU N N 114.031 0.300 1 203 45 20 ASP H H 7.594 0.030 1 204 45 20 ASP HA H 4.922 0.030 1 205 45 20 ASP HB2 H 2.627 0.030 2 206 45 20 ASP HB3 H 3.632 0.030 2 207 45 20 ASP C C 171.748 0.300 1 208 45 20 ASP CA C 52.216 0.300 1 209 45 20 ASP CB C 38.657 0.300 1 210 45 20 ASP N N 119.255 0.300 1 211 46 21 ILE H H 7.747 0.030 1 212 46 21 ILE HA H 4.968 0.030 1 213 46 21 ILE HB H 1.499 0.030 1 214 46 21 ILE HD1 H 0.674 0.030 1 215 46 21 ILE HG12 H 1.499 0.030 2 216 46 21 ILE HG13 H 1.499 0.030 2 217 46 21 ILE HG2 H 0.639 0.030 1 218 46 21 ILE C C 172.205 0.300 1 219 46 21 ILE CA C 57.783 0.300 1 220 46 21 ILE CB C 36.832 0.300 1 221 46 21 ILE CD1 C 12.192 0.300 1 222 46 21 ILE CG1 C 24.387 0.300 1 223 46 21 ILE CG2 C 16.646 0.300 1 224 46 21 ILE N N 125.022 0.300 1 225 47 22 THR H H 9.214 0.030 1 226 47 22 THR HA H 4.559 0.030 1 227 47 22 THR HB H 4.136 0.030 1 228 47 22 THR HG2 H 1.104 0.030 1 229 47 22 THR C C 169.674 0.300 1 230 47 22 THR CA C 56.699 0.300 1 231 47 22 THR CB C 70.741 0.300 1 232 47 22 THR CG2 C 19.431 0.300 1 233 47 22 THR N N 116.038 0.300 1 234 48 23 ALA H H 8.379 0.030 1 235 48 23 ALA HA H 4.692 0.030 1 236 48 23 ALA HB H 1.151 0.030 1 237 48 23 ALA C C 174.693 0.300 1 238 48 23 ALA CA C 48.372 0.300 1 239 48 23 ALA CB C 22.002 0.300 1 240 48 23 ALA N N 117.811 0.300 1 241 49 24 SER H H 7.914 0.030 1 242 49 24 SER HA H 3.330 0.030 1 243 49 24 SER HB2 H 3.694 0.030 2 244 49 24 SER HB3 H 2.890 0.030 2 245 49 24 SER C C 172.295 0.300 1 246 49 24 SER CA C 56.561 0.300 1 247 49 24 SER CB C 58.193 0.300 1 248 49 24 SER N N 115.595 0.300 1 249 50 25 SER H H 7.701 0.030 1 250 50 25 SER HA H 4.529 0.030 1 251 50 25 SER HB2 H 3.976 0.030 2 252 50 25 SER HB3 H 4.183 0.030 2 253 50 25 SER C C 168.774 0.300 1 254 50 25 SER CA C 55.711 0.300 1 255 50 25 SER CB C 61.531 0.300 1 256 50 25 SER N N 113.036 0.300 1 257 51 26 GLN H H 8.856 0.030 1 258 51 26 GLN HA H 5.603 0.030 1 259 51 26 GLN HB2 H 2.359 0.030 2 260 51 26 GLN HB3 H 1.933 0.030 2 261 51 26 GLN HE21 H 7.476 0.030 2 262 51 26 GLN HE22 H 6.818 0.030 2 263 51 26 GLN HG2 H 2.218 0.030 2 264 51 26 GLN HG3 H 1.933 0.030 2 265 51 26 GLN C C 171.566 0.300 1 266 51 26 GLN CA C 50.691 0.300 1 267 51 26 GLN CB C 27.887 0.300 1 268 51 26 GLN CG C 29.402 0.300 1 269 51 26 GLN N N 112.929 0.300 1 270 51 26 GLN NE2 N 111.578 0.300 1 271 52 27 TRP H H 8.108 0.030 1 272 52 27 TRP HA H 4.061 0.030 1 273 52 27 TRP HB2 H 3.000 0.030 2 274 52 27 TRP HB3 H 3.355 0.030 2 275 52 27 TRP HD1 H 7.043 0.030 1 276 52 27 TRP HE1 H 9.820 0.030 1 277 52 27 TRP HZ2 H 7.289 0.030 1 278 52 27 TRP C C 172.648 0.300 1 279 52 27 TRP CA C 57.548 0.300 1 280 52 27 TRP CB C 25.181 0.300 1 281 52 27 TRP CD1 C 123.623 0.300 1 282 52 27 TRP CZ2 C 111.633 0.300 1 283 52 27 TRP N N 124.681 0.300 1 284 52 27 TRP NE1 N 128.703 0.300 1 285 53 28 SER H H 7.829 0.030 1 286 53 28 SER HA H 4.435 0.030 1 287 53 28 SER HB2 H 3.500 0.030 2 288 53 28 SER HB3 H 3.969 0.030 2 289 53 28 SER C C 172.292 0.300 1 290 53 28 SER CA C 53.341 0.300 1 291 53 28 SER CB C 63.274 0.300 1 292 53 28 SER N N 108.779 0.300 1 293 54 29 GLU H H 8.943 0.030 1 294 54 29 GLU HA H 4.085 0.030 1 295 54 29 GLU HB2 H 2.038 0.030 2 296 54 29 GLU HB3 H 2.073 0.030 2 297 54 29 GLU HG2 H 2.311 0.030 2 298 54 29 GLU HG3 H 2.346 0.030 2 299 54 29 GLU C C 176.151 0.300 1 300 54 29 GLU CA C 57.020 0.300 1 301 54 29 GLU CB C 26.424 0.300 1 302 54 29 GLU CG C 33.731 0.300 1 303 54 29 GLU N N 120.146 0.300 1 304 55 30 SER H H 7.841 0.030 1 305 55 30 SER HA H 4.352 0.030 1 306 55 30 SER HB2 H 3.630 0.030 2 307 55 30 SER HB3 H 3.630 0.030 2 308 55 30 SER C C 170.652 0.300 1 309 55 30 SER CA C 57.019 0.300 1 310 55 30 SER CB C 59.747 0.300 1 311 55 30 SER N N 110.936 0.300 1 312 56 31 THR H H 7.585 0.030 1 313 56 31 THR HA H 5.425 0.030 1 314 56 31 THR HB H 4.407 0.030 1 315 56 31 THR HG2 H 0.991 0.030 1 316 56 31 THR C C 170.870 0.300 1 317 56 31 THR CA C 57.707 0.300 1 318 56 31 THR CB C 65.915 0.300 1 319 56 31 THR CG2 C 19.786 0.300 1 320 56 31 THR N N 112.722 0.300 1 321 57 32 ALA H H 6.667 0.030 1 322 57 32 ALA HA H 4.355 0.030 1 323 57 32 ALA HB H 1.589 0.030 1 324 57 32 ALA C C 173.677 0.300 1 325 57 32 ALA CA C 49.435 0.300 1 326 57 32 ALA CB C 18.858 0.300 1 327 57 32 ALA N N 120.611 0.300 1 328 58 33 ALA H H 8.518 0.030 1 329 58 33 ALA HA H 3.687 0.030 1 330 58 33 ALA HB H 1.022 0.030 1 331 58 33 ALA C C 175.762 0.300 1 332 58 33 ALA CA C 52.770 0.300 1 333 58 33 ALA CB C 15.834 0.300 1 334 58 33 ALA N N 121.723 0.300 1 335 59 34 LYS H H 7.868 0.030 1 336 59 34 LYS HA H 3.810 0.030 1 337 59 34 LYS HB2 H 1.544 0.030 2 338 59 34 LYS HB3 H 1.750 0.030 2 339 59 34 LYS HD2 H 1.124 0.030 2 340 59 34 LYS HD3 H 1.276 0.030 2 341 59 34 LYS HE2 H 2.477 0.030 2 342 59 34 LYS HE3 H 2.477 0.030 2 343 59 34 LYS HG2 H -0.333 0.030 2 344 59 34 LYS HG3 H 0.729 0.030 2 345 59 34 LYS C C 173.010 0.300 1 346 59 34 LYS CA C 55.401 0.300 1 347 59 34 LYS CB C 27.351 0.300 1 348 59 34 LYS CD C 26.296 0.300 1 349 59 34 LYS CE C 39.322 0.300 1 350 59 34 LYS CG C 19.699 0.300 1 351 59 34 LYS N N 109.745 0.300 1 352 60 35 TYR H H 7.947 0.030 1 353 60 35 TYR HA H 4.653 0.030 1 354 60 35 TYR HB2 H 2.746 0.030 2 355 60 35 TYR HB3 H 2.904 0.030 2 356 60 35 TYR HD1 H 6.982 0.030 1 357 60 35 TYR HD2 H 6.982 0.030 1 358 60 35 TYR C C 175.246 0.300 1 359 60 35 TYR CA C 55.470 0.300 1 360 60 35 TYR CB C 34.029 0.300 1 361 60 35 TYR N N 118.816 0.300 1 362 61 36 GLY H H 8.849 0.030 1 363 61 36 GLY HA2 H 3.532 0.030 2 364 61 36 GLY HA3 H 4.814 0.030 2 365 61 36 GLY C C 171.738 0.300 1 366 61 36 GLY CA C 45.927 0.300 1 367 61 36 GLY N N 112.453 0.300 1 368 62 37 ARG H H 7.032 0.030 1 369 62 37 ARG HA H 4.305 0.030 1 370 62 37 ARG HB2 H 1.339 0.030 2 371 62 37 ARG HB3 H 1.339 0.030 2 372 62 37 ARG HD2 H 3.543 0.030 2 373 62 37 ARG HD3 H 3.543 0.030 2 374 62 37 ARG HE H 6.539 0.030 1 375 62 37 ARG HG2 H 1.539 0.030 2 376 62 37 ARG HG3 H 1.539 0.030 2 377 62 37 ARG C C 172.508 0.300 1 378 62 37 ARG CA C 52.478 0.300 1 379 62 37 ARG CB C 29.909 0.300 1 380 62 37 ARG CD C 40.975 0.300 1 381 62 37 ARG CG C 24.897 0.300 1 382 62 37 ARG N N 120.911 0.300 1 383 62 37 ARG NE N 84.018 0.300 1 384 63 38 LEU H H 7.309 0.030 1 385 63 38 LEU HA H 3.568 0.030 1 386 63 38 LEU HB2 H 0.923 0.030 2 387 63 38 LEU HB3 H 1.474 0.030 2 388 63 38 LEU HD1 H 0.476 0.030 2 389 63 38 LEU HD2 H 0.780 0.030 2 390 63 38 LEU HG H 1.265 0.030 1 391 63 38 LEU C C 173.101 0.300 1 392 63 38 LEU CA C 53.919 0.300 1 393 63 38 LEU CB C 41.341 0.300 1 394 63 38 LEU CD1 C 21.700 0.300 1 395 63 38 LEU CD2 C 23.005 0.300 1 396 63 38 LEU N N 124.762 0.300 1 397 64 39 ASP H H 10.158 0.030 1 398 64 39 ASP HA H 4.407 0.030 1 399 64 39 ASP HB2 H 2.739 0.030 2 400 64 39 ASP HB3 H 2.859 0.030 2 401 64 39 ASP C C 172.678 0.300 1 402 64 39 ASP CA C 53.758 0.300 1 403 64 39 ASP CB C 37.468 0.300 1 404 64 39 ASP N N 121.840 0.300 1 405 65 40 SER H H 7.942 0.030 1 406 65 40 SER HA H 4.371 0.030 1 407 65 40 SER HB2 H 3.748 0.030 2 408 65 40 SER HB3 H 4.114 0.030 2 409 65 40 SER C C 172.812 0.300 1 410 65 40 SER CA C 55.862 0.300 1 411 65 40 SER CB C 61.616 0.300 1 412 65 40 SER N N 114.258 0.300 1 413 66 41 GLU H H 8.894 0.030 1 414 66 41 GLU HA H 4.628 0.030 1 415 66 41 GLU HB2 H 2.375 0.030 2 416 66 41 GLU HB3 H 2.375 0.030 2 417 66 41 GLU HG2 H 2.133 0.030 2 418 66 41 GLU HG3 H 2.344 0.030 2 419 66 41 GLU C C 173.727 0.300 1 420 66 41 GLU CA C 51.922 0.300 1 421 66 41 GLU CB C 27.551 0.300 1 422 66 41 GLU CG C 31.998 0.300 1 423 66 41 GLU N N 124.040 0.300 1 424 67 42 GLU H H 7.906 0.030 1 425 67 42 GLU HA H 4.177 0.030 1 426 67 42 GLU HB2 H 1.988 0.030 2 427 67 42 GLU HB3 H 2.280 0.030 2 428 67 42 GLU HG2 H 2.360 0.030 2 429 67 42 GLU HG3 H 2.526 0.030 2 430 67 42 GLU C C 174.372 0.300 1 431 67 42 GLU CA C 53.434 0.300 1 432 67 42 GLU CB C 27.814 0.300 1 433 67 42 GLU CG C 33.874 0.300 1 434 67 42 GLU N N 119.903 0.300 1 435 68 43 GLY H H 8.828 0.030 1 436 68 43 GLY HA2 H 2.542 0.030 2 437 68 43 GLY HA3 H 3.395 0.030 2 438 68 43 GLY C C 171.749 0.300 1 439 68 43 GLY CA C 42.846 0.300 1 440 68 43 GLY N N 111.809 0.300 1 441 69 44 ASP H H 8.863 0.030 1 442 69 44 ASP HA H 4.896 0.030 1 443 69 44 ASP HB2 H 2.111 0.030 2 444 69 44 ASP HB3 H 2.571 0.030 2 445 69 44 ASP C C 175.171 0.300 1 446 69 44 ASP CA C 51.252 0.300 1 447 69 44 ASP CB C 37.456 0.300 1 448 69 44 ASP N N 124.325 0.300 1 449 70 45 GLY H H 8.061 0.030 1 450 70 45 GLY HA2 H 3.423 0.030 2 451 70 45 GLY HA3 H 3.975 0.030 2 452 70 45 GLY C C 170.986 0.300 1 453 70 45 GLY CA C 44.638 0.300 1 454 70 45 GLY N N 103.231 0.300 1 455 71 46 ALA H H 7.296 0.030 1 456 71 46 ALA HA H 4.242 0.030 1 457 71 46 ALA HB H 1.217 0.030 1 458 71 46 ALA C C 171.778 0.300 1 459 71 46 ALA CA C 49.154 0.300 1 460 71 46 ALA CB C 19.739 0.300 1 461 71 46 ALA N N 113.089 0.300 1 462 72 47 TRP H H 7.355 0.030 1 463 72 47 TRP HA H 5.055 0.030 1 464 72 47 TRP HB2 H 3.039 0.030 2 465 72 47 TRP HB3 H 3.202 0.030 2 466 72 47 TRP HD1 H 7.430 0.030 1 467 72 47 TRP HE1 H 10.604 0.030 1 468 72 47 TRP HZ2 H 7.228 0.030 1 469 72 47 TRP C C 173.870 0.300 1 470 72 47 TRP CA C 53.363 0.300 1 471 72 47 TRP CB C 25.386 0.300 1 472 72 47 TRP CD1 C 124.617 0.300 1 473 72 47 TRP N N 114.474 0.300 1 474 72 47 TRP NE1 N 131.807 0.300 1 475 73 48 CYS H H 7.836 0.030 1 476 73 48 CYS HA H 4.371 0.030 1 477 73 48 CYS HB2 H 2.684 0.030 2 478 73 48 CYS HB3 H 2.991 0.030 2 479 73 48 CYS C C 168.485 0.300 1 480 73 48 CYS CA C 50.165 0.300 1 481 73 48 CYS CB C 43.256 0.300 1 482 73 48 CYS N N 126.337 0.300 1 483 74 49 PRO HA H 4.277 0.030 1 484 74 49 PRO HB2 H 1.787 0.030 2 485 74 49 PRO HB3 H 2.176 0.030 2 486 74 49 PRO HG2 H 1.605 0.030 2 487 74 49 PRO HG3 H 1.605 0.030 2 488 74 49 PRO C C 172.327 0.300 1 489 74 49 PRO CA C 58.969 0.300 1 490 74 49 PRO CB C 29.380 0.300 1 491 74 49 PRO CG C 23.180 0.300 1 492 75 50 GLU H H 8.745 0.030 1 493 75 50 GLU HA H 3.516 0.030 1 494 75 50 GLU HB2 H 1.685 0.030 2 495 75 50 GLU HB3 H 1.971 0.030 2 496 75 50 GLU HG2 H 2.241 0.030 2 497 75 50 GLU HG3 H 2.295 0.030 2 498 75 50 GLU C C 171.518 0.300 1 499 75 50 GLU CA C 55.870 0.300 1 500 75 50 GLU CB C 29.311 0.300 1 501 75 50 GLU CG C 33.267 0.300 1 502 75 50 GLU N N 118.415 0.300 1 503 76 51 ILE H H 6.403 0.030 1 504 76 51 ILE HA H 4.725 0.030 1 505 76 51 ILE HB H 1.850 0.030 1 506 76 51 ILE HD1 H 0.807 0.030 1 507 76 51 ILE HG12 H 1.226 0.030 2 508 76 51 ILE HG13 H 1.226 0.030 2 509 76 51 ILE HG2 H 0.879 0.030 1 510 76 51 ILE CA C 54.677 0.300 1 511 76 51 ILE CB C 37.110 0.300 1 512 76 51 ILE CD1 C 11.270 0.300 1 513 76 51 ILE CG2 C 16.253 0.300 1 514 76 51 ILE N N 107.553 0.300 1 515 77 52 PRO HA H 4.099 0.030 1 516 77 52 PRO HB2 H 1.623 0.030 2 517 77 52 PRO HB3 H 1.773 0.030 2 518 77 52 PRO HG2 H 1.493 0.030 2 519 77 52 PRO HG3 H 1.493 0.030 2 520 77 52 PRO C C 173.598 0.300 1 521 77 52 PRO CA C 60.182 0.300 1 522 77 52 PRO CB C 28.799 0.300 1 523 77 52 PRO CG C 24.525 0.300 1 524 78 53 VAL H H 8.088 0.030 1 525 78 53 VAL HA H 3.951 0.030 1 526 78 53 VAL HB H 1.792 0.030 1 527 78 53 VAL HG1 H 0.804 0.030 2 528 78 53 VAL HG2 H 0.844 0.030 2 529 78 53 VAL C C 172.675 0.300 1 530 78 53 VAL CA C 59.944 0.300 1 531 78 53 VAL CB C 29.340 0.300 1 532 78 53 VAL CG1 C 19.495 0.300 1 533 78 53 VAL CG2 C 20.099 0.300 1 534 78 53 VAL N N 124.278 0.300 1 535 79 54 GLU H H 8.551 0.030 1 536 79 54 GLU HA H 4.443 0.030 1 537 79 54 GLU HB2 H 1.756 0.030 2 538 79 54 GLU HB3 H 1.971 0.030 2 539 79 54 GLU HG2 H 2.164 0.030 2 540 79 54 GLU HG3 H 2.231 0.030 2 541 79 54 GLU C C 172.270 0.300 1 542 79 54 GLU CA C 49.669 0.300 1 543 79 54 GLU CB C 27.716 0.300 1 544 79 54 GLU N N 128.705 0.300 1 545 80 55 PRO HA H 4.040 0.030 1 546 80 55 PRO HB2 H 2.151 0.030 2 547 80 55 PRO HB3 H 1.768 0.030 2 548 80 55 PRO HD2 H 2.978 0.030 2 549 80 55 PRO HD3 H 3.648 0.030 2 550 80 55 PRO HG2 H 1.538 0.030 2 551 80 55 PRO HG3 H 1.774 0.030 2 552 80 55 PRO C C 174.195 0.300 1 553 80 55 PRO CA C 61.273 0.300 1 554 80 55 PRO CB C 29.159 0.300 1 555 80 55 PRO CD C 47.273 0.300 1 556 80 55 PRO CG C 24.493 0.300 1 557 81 56 ASP H H 8.087 0.030 1 558 81 56 ASP HA H 4.463 0.030 1 559 81 56 ASP HB2 H 2.626 0.030 2 560 81 56 ASP HB3 H 2.626 0.030 2 561 81 56 ASP C C 172.536 0.300 1 562 81 56 ASP CA C 51.388 0.300 1 563 81 56 ASP CB C 37.849 0.300 1 564 81 56 ASP N N 113.762 0.300 1 565 82 57 ASP H H 7.569 0.030 1 566 82 57 ASP HA H 4.645 0.030 1 567 82 57 ASP HB2 H 2.316 0.030 2 568 82 57 ASP HB3 H 2.654 0.030 2 569 82 57 ASP C C 172.413 0.300 1 570 82 57 ASP CA C 51.070 0.300 1 571 82 57 ASP CB C 38.352 0.300 1 572 82 57 ASP N N 120.169 0.300 1 573 83 58 LEU H H 8.522 0.030 1 574 83 58 LEU HA H 4.454 0.030 1 575 83 58 LEU HB2 H 1.312 0.030 2 576 83 58 LEU HB3 H 1.764 0.030 2 577 83 58 LEU HD1 H 0.970 0.030 2 578 83 58 LEU HD2 H 0.939 0.030 2 579 83 58 LEU HG H 1.639 0.030 1 580 83 58 LEU C C 174.547 0.300 1 581 83 58 LEU CA C 51.511 0.300 1 582 83 58 LEU CB C 37.117 0.300 1 583 83 58 LEU CD1 C 21.632 0.300 1 584 83 58 LEU CD2 C 24.312 0.300 1 585 83 58 LEU CG C 23.993 0.300 1 586 83 58 LEU N N 125.872 0.300 1 587 84 59 LYS H H 8.199 0.030 1 588 84 59 LYS HA H 4.431 0.030 1 589 84 59 LYS HB2 H 1.602 0.030 2 590 84 59 LYS HB3 H 1.910 0.030 2 591 84 59 LYS HD2 H 1.614 0.030 2 592 84 59 LYS HD3 H 1.614 0.030 2 593 84 59 LYS HE2 H 2.956 0.030 2 594 84 59 LYS HE3 H 2.956 0.030 2 595 84 59 LYS HG2 H 1.090 0.030 2 596 84 59 LYS HG3 H 1.245 0.030 2 597 84 59 LYS C C 173.910 0.300 1 598 84 59 LYS CA C 53.742 0.300 1 599 84 59 LYS CB C 30.911 0.300 1 600 84 59 LYS CD C 26.826 0.300 1 601 84 59 LYS CG C 20.624 0.300 1 602 84 59 LYS N N 119.702 0.300 1 603 85 60 GLU H H 8.055 0.030 1 604 85 60 GLU HA H 4.929 0.030 1 605 85 60 GLU HB2 H 1.868 0.030 2 606 85 60 GLU HB3 H 2.009 0.030 2 607 85 60 GLU HG2 H 2.016 0.030 2 608 85 60 GLU HG3 H 2.016 0.030 2 609 85 60 GLU C C 174.257 0.300 1 610 85 60 GLU CA C 50.761 0.300 1 611 85 60 GLU CB C 26.461 0.300 1 612 85 60 GLU CG C 32.481 0.300 1 613 85 60 GLU N N 118.543 0.300 1 614 86 61 PHE H H 8.905 0.030 1 615 86 61 PHE HA H 5.529 0.030 1 616 86 61 PHE HB2 H 2.345 0.030 2 617 86 61 PHE HB3 H 3.068 0.030 2 618 86 61 PHE HD1 H 6.628 0.030 1 619 86 61 PHE HD2 H 6.628 0.030 1 620 86 61 PHE HE1 H 6.832 0.030 1 621 86 61 PHE HE2 H 6.832 0.030 1 622 86 61 PHE C C 168.027 0.300 1 623 86 61 PHE CA C 54.029 0.300 1 624 86 61 PHE CB C 38.846 0.300 1 625 86 61 PHE N N 112.250 0.300 1 626 87 62 LEU H H 8.324 0.030 1 627 87 62 LEU HA H 4.092 0.030 1 628 87 62 LEU HB2 H 1.327 0.030 2 629 87 62 LEU HB3 H 1.327 0.030 2 630 87 62 LEU HD1 H 0.352 0.030 2 631 87 62 LEU HD2 H 0.647 0.030 2 632 87 62 LEU HG H 1.097 0.030 1 633 87 62 LEU C C 171.967 0.300 1 634 87 62 LEU CA C 51.160 0.300 1 635 87 62 LEU CB C 42.100 0.300 1 636 87 62 LEU CD1 C 20.559 0.300 1 637 87 62 LEU CD2 C 24.344 0.300 1 638 87 62 LEU CG C 24.556 0.300 1 639 87 62 LEU N N 121.799 0.300 1 640 88 63 GLN H H 9.830 0.030 1 641 88 63 GLN HA H 5.514 0.030 1 642 88 63 GLN HB2 H 1.742 0.030 2 643 88 63 GLN HB3 H 2.279 0.030 2 644 88 63 GLN HG2 H 1.870 0.030 2 645 88 63 GLN HG3 H 1.870 0.030 2 646 88 63 GLN C C 170.478 0.300 1 647 88 63 GLN CA C 51.703 0.300 1 648 88 63 GLN CB C 30.441 0.300 1 649 88 63 GLN CG C 33.128 0.300 1 650 88 63 GLN N N 128.318 0.300 1 651 89 64 ILE H H 9.120 0.030 1 652 89 64 ILE HA H 4.664 0.030 1 653 89 64 ILE HB H 1.518 0.030 1 654 89 64 ILE HD1 H 0.953 0.030 1 655 89 64 ILE HG12 H 1.304 0.030 2 656 89 64 ILE HG13 H 1.476 0.030 2 657 89 64 ILE HG2 H 0.714 0.030 1 658 89 64 ILE C C 171.682 0.300 1 659 89 64 ILE CA C 58.304 0.300 1 660 89 64 ILE CB C 40.409 0.300 1 661 89 64 ILE CD1 C 13.756 0.300 1 662 89 64 ILE CG1 C 26.686 0.300 1 663 89 64 ILE CG2 C 17.652 0.300 1 664 89 64 ILE N N 125.833 0.300 1 665 90 65 ASP H H 8.278 0.030 1 666 90 65 ASP HA H 4.426 0.030 1 667 90 65 ASP HB2 H 2.302 0.030 2 668 90 65 ASP HB3 H 2.636 0.030 2 669 90 65 ASP C C 172.965 0.300 1 670 90 65 ASP CA C 49.724 0.300 1 671 90 65 ASP CB C 39.381 0.300 1 672 90 65 ASP N N 124.936 0.300 1 673 91 66 LEU H H 8.428 0.030 1 674 91 66 LEU HA H 4.026 0.030 1 675 91 66 LEU HB2 H 1.183 0.030 2 676 91 66 LEU HB3 H 1.882 0.030 2 677 91 66 LEU HD1 H 0.295 0.030 2 678 91 66 LEU HD2 H 0.322 0.030 2 679 91 66 LEU HG H 1.267 0.030 1 680 91 66 LEU C C 176.758 0.300 1 681 91 66 LEU CA C 52.547 0.300 1 682 91 66 LEU CB C 39.674 0.300 1 683 91 66 LEU CD1 C 23.074 0.300 1 684 91 66 LEU CD2 C 20.346 0.300 1 685 91 66 LEU CG C 23.813 0.300 1 686 91 66 LEU N N 122.368 0.300 1 687 92 67 HIS H H 8.593 0.030 1 688 92 67 HIS HA H 3.447 0.030 1 689 92 67 HIS HB2 H 3.037 0.030 2 690 92 67 HIS HB3 H 3.733 0.030 2 691 92 67 HIS C C 171.656 0.300 1 692 92 67 HIS CA C 59.440 0.300 1 693 92 67 HIS CB C 24.558 0.300 1 694 92 67 HIS N N 114.961 0.300 1 695 93 68 THR H H 8.604 0.030 1 696 93 68 THR HA H 4.494 0.030 1 697 93 68 THR HB H 4.123 0.030 1 698 93 68 THR HG2 H 1.086 0.030 1 699 93 68 THR C C 171.974 0.300 1 700 93 68 THR CA C 56.724 0.300 1 701 93 68 THR CB C 68.273 0.300 1 702 93 68 THR CG2 C 18.709 0.300 1 703 93 68 THR N N 115.186 0.300 1 704 94 69 LEU H H 8.196 0.030 1 705 94 69 LEU HA H 3.876 0.030 1 706 94 69 LEU HB2 H 1.539 0.030 2 707 94 69 LEU HB3 H 0.957 0.030 2 708 94 69 LEU HD1 H 0.622 0.030 2 709 94 69 LEU HD2 H 0.698 0.030 2 710 94 69 LEU HG H 1.574 0.030 1 711 94 69 LEU C C 174.259 0.300 1 712 94 69 LEU CA C 53.987 0.300 1 713 94 69 LEU CB C 39.031 0.300 1 714 94 69 LEU CD1 C 20.745 0.300 1 715 94 69 LEU CD2 C 22.566 0.300 1 716 94 69 LEU CG C 23.784 0.300 1 717 94 69 LEU N N 122.731 0.300 1 718 95 70 HIS H H 8.571 0.030 1 719 95 70 HIS HA H 4.750 0.030 1 720 95 70 HIS HB2 H 2.962 0.030 2 721 95 70 HIS HB3 H 2.962 0.030 2 722 95 70 HIS C C 170.890 0.300 1 723 95 70 HIS CA C 53.075 0.300 1 724 95 70 HIS CB C 29.987 0.300 1 725 95 70 HIS N N 122.038 0.300 1 726 96 71 PHE H H 8.781 0.030 1 727 96 71 PHE HA H 5.152 0.030 1 728 96 71 PHE HB2 H 3.040 0.030 2 729 96 71 PHE HB3 H 2.664 0.030 2 730 96 71 PHE HD1 H 6.864 0.030 1 731 96 71 PHE HD2 H 6.864 0.030 1 732 96 71 PHE C C 172.737 0.300 1 733 96 71 PHE CA C 54.470 0.300 1 734 96 71 PHE CB C 37.978 0.300 1 735 96 71 PHE N N 119.023 0.300 1 736 97 72 ILE H H 9.401 0.030 1 737 97 72 ILE HA H 4.742 0.030 1 738 97 72 ILE HB H 1.573 0.030 1 739 97 72 ILE HD1 H 0.492 0.030 1 740 97 72 ILE HG12 H 0.818 0.030 2 741 97 72 ILE HG13 H 1.183 0.030 2 742 97 72 ILE HG2 H 0.818 0.030 1 743 97 72 ILE C C 172.952 0.300 1 744 97 72 ILE CA C 58.224 0.300 1 745 97 72 ILE CB C 36.441 0.300 1 746 97 72 ILE CD1 C 12.064 0.300 1 747 97 72 ILE CG1 C 25.244 0.300 1 748 97 72 ILE CG2 C 16.522 0.300 1 749 97 72 ILE N N 123.638 0.300 1 750 98 73 THR H H 8.886 0.030 1 751 98 73 THR HA H 4.485 0.030 1 752 98 73 THR HB H 4.389 0.030 1 753 98 73 THR HG2 H 1.293 0.030 1 754 98 73 THR C C 173.055 0.300 1 755 98 73 THR CA C 58.454 0.300 1 756 98 73 THR CB C 67.347 0.300 1 757 98 73 THR CG2 C 19.825 0.300 1 758 98 73 THR N N 114.315 0.300 1 759 99 74 LEU H H 7.967 0.030 1 760 99 74 LEU HA H 5.102 0.030 1 761 99 74 LEU HB2 H 1.425 0.030 2 762 99 74 LEU HB3 H 1.425 0.030 2 763 99 74 LEU HD1 H 0.178 0.030 2 764 99 74 LEU HD2 H 0.521 0.030 2 765 99 74 LEU HG H 1.226 0.030 1 766 99 74 LEU C C 171.252 0.300 1 767 99 74 LEU CA C 52.884 0.300 1 768 99 74 LEU CB C 43.160 0.300 1 769 99 74 LEU CD1 C 23.292 0.300 1 770 99 74 LEU CD2 C 22.058 0.300 1 771 99 74 LEU CG C 23.859 0.300 1 772 99 74 LEU N N 125.552 0.300 1 773 100 75 VAL H H 8.417 0.030 1 774 100 75 VAL HA H 5.304 0.030 1 775 100 75 VAL HB H 2.411 0.030 1 776 100 75 VAL HG1 H 1.049 0.030 2 777 100 75 VAL HG2 H 0.966 0.030 2 778 100 75 VAL C C 171.137 0.300 1 779 100 75 VAL CA C 56.931 0.300 1 780 100 75 VAL CB C 33.519 0.300 1 781 100 75 VAL CG1 C 17.142 0.300 1 782 100 75 VAL CG2 C 20.322 0.300 1 783 100 75 VAL N N 114.470 0.300 1 784 101 76 GLY H H 8.670 0.030 1 785 101 76 GLY HA2 H 5.550 0.030 2 786 101 76 GLY HA3 H 3.295 0.030 2 787 101 76 GLY C C 169.405 0.300 1 788 101 76 GLY CA C 41.858 0.300 1 789 101 76 GLY N N 107.514 0.300 1 790 102 77 THR H H 8.210 0.030 1 791 102 77 THR HA H 5.441 0.030 1 792 102 77 THR HB H 4.104 0.030 1 793 102 77 THR HG2 H 0.633 0.030 1 794 102 77 THR C C 171.228 0.300 1 795 102 77 THR CA C 57.467 0.300 1 796 102 77 THR CB C 70.838 0.300 1 797 102 77 THR CG2 C 17.470 0.300 1 798 102 77 THR N N 108.915 0.300 1 799 103 78 GLN H H 9.099 0.030 1 800 103 78 GLN HA H 4.891 0.030 1 801 103 78 GLN HB2 H 1.997 0.030 2 802 103 78 GLN HB3 H 1.997 0.030 2 803 103 78 GLN HE21 H 6.386 0.030 2 804 103 78 GLN HE22 H 7.032 0.030 2 805 103 78 GLN HG2 H 1.884 0.030 2 806 103 78 GLN HG3 H 2.034 0.030 2 807 103 78 GLN C C 175.521 0.300 1 808 103 78 GLN CA C 51.125 0.300 1 809 103 78 GLN CB C 33.586 0.300 1 810 103 78 GLN CG C 32.357 0.300 1 811 103 78 GLN N N 122.240 0.300 1 812 103 78 GLN NE2 N 110.263 0.300 1 813 104 79 GLY H H 8.510 0.030 1 814 104 79 GLY HA2 H 3.904 0.030 2 815 104 79 GLY HA3 H 4.694 0.030 2 816 104 79 GLY C C 169.601 0.300 1 817 104 79 GLY CA C 41.568 0.300 1 818 104 79 GLY N N 111.054 0.300 1 819 105 80 ARG H H 8.747 0.030 1 820 105 80 ARG HA H 4.069 0.030 1 821 105 80 ARG HB2 H 2.263 0.030 2 822 105 80 ARG HB3 H 2.263 0.030 2 823 105 80 ARG HD2 H 2.798 0.030 2 824 105 80 ARG HD3 H 3.121 0.030 2 825 105 80 ARG HE H 7.765 0.030 1 826 105 80 ARG HG2 H 0.812 0.030 2 827 105 80 ARG HG3 H 1.013 0.030 2 828 105 80 ARG C C 168.739 0.300 1 829 105 80 ARG CA C 52.203 0.300 1 830 105 80 ARG CB C 30.520 0.300 1 831 105 80 ARG N N 122.943 0.300 1 832 105 80 ARG NE N 85.123 0.300 1 833 106 81 HIS H H 7.402 0.030 1 834 106 81 HIS HA H 4.651 0.030 1 835 106 81 HIS HB2 H 3.005 0.030 2 836 106 81 HIS HB3 H 3.322 0.030 2 837 106 81 HIS HD2 H 6.923 0.030 1 838 106 81 HIS C C 175.994 0.300 1 839 106 81 HIS CA C 54.524 0.300 1 840 106 81 HIS CB C 29.131 0.300 1 841 106 81 HIS N N 125.781 0.300 1 842 107 82 ALA H H 9.972 0.030 1 843 107 82 ALA HA H 4.114 0.030 1 844 107 82 ALA HB H 1.028 0.030 1 845 107 82 ALA C C 176.517 0.300 1 846 107 82 ALA CA C 49.086 0.300 1 847 107 82 ALA CB C 15.385 0.300 1 848 107 82 ALA N N 127.747 0.300 1 849 108 83 GLY H H 8.808 0.030 1 850 108 83 GLY HA2 H 3.448 0.030 2 851 108 83 GLY HA3 H 3.683 0.030 2 852 108 83 GLY C C 171.360 0.300 1 853 108 83 GLY CA C 43.752 0.300 1 854 108 83 GLY N N 107.404 0.300 1 855 109 84 GLY H H 6.457 0.030 1 856 109 84 GLY HA2 H 3.229 0.030 2 857 109 84 GLY HA3 H 4.060 0.030 2 858 109 84 GLY C C 171.470 0.300 1 859 109 84 GLY CA C 41.690 0.300 1 860 109 84 GLY N N 104.660 0.300 1 861 110 85 HIS H H 7.370 0.030 1 862 110 85 HIS HA H 4.542 0.030 1 863 110 85 HIS HB2 H 3.019 0.030 2 864 110 85 HIS HB3 H 3.175 0.030 2 865 110 85 HIS C C 173.063 0.300 1 866 110 85 HIS CA C 53.573 0.300 1 867 110 85 HIS CB C 27.639 0.300 1 868 110 85 HIS N N 117.122 0.300 1 869 111 86 GLY H H 8.138 0.030 1 870 111 86 GLY HA2 H 3.999 0.030 2 871 111 86 GLY HA3 H 3.999 0.030 2 872 111 86 GLY C C 171.178 0.300 1 873 111 86 GLY CA C 41.736 0.300 1 874 111 86 GLY N N 107.979 0.300 1 875 112 87 ILE H H 6.980 0.030 1 876 112 87 ILE HA H 4.681 0.030 1 877 112 87 ILE HB H 1.979 0.030 1 878 112 87 ILE HD1 H 0.772 0.030 1 879 112 87 ILE HG12 H 0.958 0.030 2 880 112 87 ILE HG13 H 1.255 0.030 2 881 112 87 ILE HG2 H 0.789 0.030 1 882 112 87 ILE C C 173.255 0.300 1 883 112 87 ILE CA C 58.053 0.300 1 884 112 87 ILE CB C 38.409 0.300 1 885 112 87 ILE CD1 C 11.237 0.300 1 886 112 87 ILE CG1 C 24.289 0.300 1 887 112 87 ILE CG2 C 14.885 0.300 1 888 112 87 ILE N N 110.974 0.300 1 889 113 88 GLU H H 9.143 0.030 1 890 113 88 GLU HA H 4.065 0.030 1 891 113 88 GLU HB2 H 1.226 0.030 2 892 113 88 GLU HB3 H 1.749 0.030 2 893 113 88 GLU HG2 H 1.924 0.030 2 894 113 88 GLU HG3 H 2.056 0.030 2 895 113 88 GLU C C 172.985 0.300 1 896 113 88 GLU CA C 55.785 0.300 1 897 113 88 GLU CB C 29.183 0.300 1 898 113 88 GLU CG C 33.715 0.300 1 899 113 88 GLU N N 124.035 0.300 1 900 114 89 PHE H H 7.504 0.030 1 901 114 89 PHE HA H 5.047 0.030 1 902 114 89 PHE HB2 H 2.611 0.030 2 903 114 89 PHE HB3 H 2.892 0.030 2 904 114 89 PHE HD1 H 6.361 0.030 1 905 114 89 PHE HD2 H 6.361 0.030 1 906 114 89 PHE HE1 H 7.071 0.030 1 907 114 89 PHE HE2 H 7.071 0.030 1 908 114 89 PHE C C 169.377 0.300 1 909 114 89 PHE CA C 53.487 0.300 1 910 114 89 PHE CB C 36.994 0.300 1 911 114 89 PHE N N 113.623 0.300 1 912 115 90 ALA H H 9.636 0.030 1 913 115 90 ALA HA H 4.898 0.030 1 914 115 90 ALA HB H 1.528 0.030 1 915 115 90 ALA CA C 45.532 0.300 1 916 115 90 ALA CB C 15.884 0.300 1 917 115 90 ALA N N 123.391 0.300 1 918 116 91 PRO HA H 5.309 0.030 1 919 116 91 PRO HB2 H 2.125 0.030 2 920 116 91 PRO HB3 H 2.341 0.030 2 921 116 91 PRO HD2 H 3.860 0.030 2 922 116 91 PRO HD3 H 3.860 0.030 2 923 116 91 PRO HG2 H 2.049 0.030 2 924 116 91 PRO HG3 H 2.309 0.030 2 925 116 91 PRO C C 173.742 0.300 1 926 116 91 PRO CA C 60.645 0.300 1 927 116 91 PRO CB C 29.525 0.300 1 928 116 91 PRO CD C 47.996 0.300 1 929 116 91 PRO CG C 24.591 0.300 1 930 117 92 MET H H 7.702 0.030 1 931 117 92 MET HA H 5.005 0.030 1 932 117 92 MET HB2 H 1.858 0.030 2 933 117 92 MET HB3 H 1.858 0.030 2 934 117 92 MET HE H 1.793 0.030 1 935 117 92 MET HG2 H 2.310 0.030 2 936 117 92 MET HG3 H 2.566 0.030 2 937 117 92 MET C C 171.306 0.300 1 938 117 92 MET CA C 51.254 0.300 1 939 117 92 MET CB C 36.819 0.300 1 940 117 92 MET CE C 14.172 0.300 1 941 117 92 MET CG C 30.592 0.300 1 942 117 92 MET N N 115.977 0.300 1 943 118 93 TYR H H 8.535 0.030 1 944 118 93 TYR HA H 5.362 0.030 1 945 118 93 TYR HB2 H 2.892 0.030 2 946 118 93 TYR HB3 H 3.370 0.030 2 947 118 93 TYR HD1 H 6.696 0.030 1 948 118 93 TYR HD2 H 6.696 0.030 1 949 118 93 TYR HE1 H 6.553 0.030 1 950 118 93 TYR HE2 H 6.553 0.030 1 951 118 93 TYR C C 169.309 0.300 1 952 118 93 TYR CA C 55.193 0.300 1 953 118 93 TYR CB C 36.531 0.300 1 954 118 93 TYR CE1 C 116.046 0.300 1 955 118 93 TYR N N 113.353 0.300 1 956 119 94 LYS H H 9.256 0.030 1 957 119 94 LYS HA H 4.979 0.030 1 958 119 94 LYS HB2 H 1.974 0.030 2 959 119 94 LYS HB3 H 1.795 0.030 2 960 119 94 LYS HD2 H 1.589 0.030 2 961 119 94 LYS HD3 H 1.589 0.030 2 962 119 94 LYS HE2 H 2.751 0.030 2 963 119 94 LYS HE3 H 2.751 0.030 2 964 119 94 LYS HG2 H 1.348 0.030 2 965 119 94 LYS HG3 H 1.464 0.030 2 966 119 94 LYS C C 172.127 0.300 1 967 119 94 LYS CA C 51.646 0.300 1 968 119 94 LYS CB C 33.805 0.300 1 969 119 94 LYS CD C 27.065 0.300 1 970 119 94 LYS CE C 39.338 0.300 1 971 119 94 LYS CG C 22.450 0.300 1 972 119 94 LYS N N 117.654 0.300 1 973 120 95 ILE H H 9.641 0.030 1 974 120 95 ILE HA H 5.100 0.030 1 975 120 95 ILE HB H 1.643 0.030 1 976 120 95 ILE HD1 H 0.401 0.030 1 977 120 95 ILE HG12 H 1.491 0.030 2 978 120 95 ILE HG13 H 1.491 0.030 2 979 120 95 ILE HG2 H 0.517 0.030 1 980 120 95 ILE C C 173.394 0.300 1 981 120 95 ILE CA C 57.385 0.300 1 982 120 95 ILE CB C 38.807 0.300 1 983 120 95 ILE CD1 C 11.601 0.300 1 984 120 95 ILE CG1 C 24.316 0.300 1 985 120 95 ILE CG2 C 14.811 0.300 1 986 120 95 ILE N N 120.325 0.300 1 987 121 96 ASN H H 8.772 0.030 1 988 121 96 ASN HA H 6.169 0.030 1 989 121 96 ASN HB2 H 2.292 0.030 2 990 121 96 ASN HB3 H 2.623 0.030 2 991 121 96 ASN HD21 H 6.830 0.030 2 992 121 96 ASN HD22 H 7.200 0.030 2 993 121 96 ASN C C 171.627 0.300 1 994 121 96 ASN CA C 47.466 0.300 1 995 121 96 ASN CB C 38.909 0.300 1 996 121 96 ASN N N 124.884 0.300 1 997 121 96 ASN ND2 N 109.551 0.300 1 998 122 97 TYR H H 9.778 0.030 1 999 122 97 TYR HA H 5.722 0.030 1 1000 122 97 TYR HB2 H 2.664 0.030 2 1001 122 97 TYR HB3 H 3.173 0.030 2 1002 122 97 TYR HD1 H 6.813 0.030 1 1003 122 97 TYR HD2 H 6.813 0.030 1 1004 122 97 TYR C C 170.380 0.300 1 1005 122 97 TYR CA C 53.422 0.300 1 1006 122 97 TYR CB C 38.501 0.300 1 1007 122 97 TYR N N 118.259 0.300 1 1008 123 98 SER H H 8.540 0.030 1 1009 123 98 SER HA H 4.566 0.030 1 1010 123 98 SER C C 172.943 0.300 1 1011 123 98 SER CA C 53.612 0.300 1 1012 123 98 SER CB C 61.868 0.300 1 1013 123 98 SER N N 109.754 0.300 1 1014 124 99 ARG HA H 4.246 0.030 1 1015 124 99 ARG HB2 H 1.734 0.030 2 1016 124 99 ARG HB3 H 1.734 0.030 2 1017 124 99 ARG HD2 H 3.120 0.030 2 1018 124 99 ARG HD3 H 3.219 0.030 2 1019 124 99 ARG HG2 H 1.401 0.030 2 1020 124 99 ARG HG3 H 1.739 0.030 2 1021 124 99 ARG C C 172.232 0.300 1 1022 124 99 ARG CA C 56.179 0.300 1 1023 124 99 ARG CD C 40.792 0.300 1 1024 124 99 ARG CG C 26.586 0.300 1 1025 125 100 ASP H H 7.807 0.030 1 1026 125 100 ASP HA H 4.684 0.030 1 1027 125 100 ASP HB2 H 2.434 0.030 2 1028 125 100 ASP HB3 H 2.872 0.030 2 1029 125 100 ASP C C 174.272 0.300 1 1030 125 100 ASP CA C 50.909 0.300 1 1031 125 100 ASP CB C 40.101 0.300 1 1032 125 100 ASP N N 115.055 0.300 1 1033 126 101 GLY H H 8.404 0.030 1 1034 126 101 GLY HA2 H 1.902 0.030 2 1035 126 101 GLY HA3 H 3.370 0.030 2 1036 126 101 GLY C C 169.910 0.300 1 1037 126 101 GLY CA C 42.372 0.300 1 1038 126 101 GLY N N 111.687 0.300 1 1039 127 102 THR H H 8.079 0.030 1 1040 127 102 THR HA H 4.207 0.030 1 1041 127 102 THR HB H 3.728 0.030 1 1042 127 102 THR HG2 H 0.958 0.030 1 1043 127 102 THR C C 170.750 0.300 1 1044 127 102 THR CA C 60.552 0.300 1 1045 127 102 THR CB C 67.504 0.300 1 1046 127 102 THR CG2 C 18.858 0.300 1 1047 127 102 THR N N 115.223 0.300 1 1048 128 103 ARG H H 8.836 0.030 1 1049 128 103 ARG HA H 4.414 0.030 1 1050 128 103 ARG HB2 H 1.632 0.030 2 1051 128 103 ARG HB3 H 1.632 0.030 2 1052 128 103 ARG HD2 H 3.055 0.030 2 1053 128 103 ARG HD3 H 3.055 0.030 2 1054 128 103 ARG HG2 H 1.337 0.030 2 1055 128 103 ARG HG3 H 1.472 0.030 2 1056 128 103 ARG C C 173.484 0.300 1 1057 128 103 ARG CA C 52.619 0.300 1 1058 128 103 ARG CB C 27.608 0.300 1 1059 128 103 ARG CD C 40.520 0.300 1 1060 128 103 ARG CG C 24.548 0.300 1 1061 128 103 ARG N N 124.246 0.300 1 1062 129 104 TRP H H 9.050 0.030 1 1063 129 104 TRP HA H 4.484 0.030 1 1064 129 104 TRP HB2 H 2.635 0.030 2 1065 129 104 TRP HB3 H 2.768 0.030 2 1066 129 104 TRP HD1 H 6.862 0.030 1 1067 129 104 TRP HE1 H 9.193 0.030 1 1068 129 104 TRP HZ2 H 6.715 0.030 1 1069 129 104 TRP C C 172.046 0.300 1 1070 129 104 TRP CA C 54.046 0.300 1 1071 129 104 TRP CB C 27.937 0.300 1 1072 129 104 TRP CD1 C 125.402 0.300 1 1073 129 104 TRP CZ2 C 111.538 0.300 1 1074 129 104 TRP N N 130.461 0.300 1 1075 129 104 TRP NE1 N 129.382 0.300 1 1076 130 105 ILE H H 9.038 0.030 1 1077 130 105 ILE HA H 4.019 0.030 1 1078 130 105 ILE HB H 0.447 0.030 1 1079 130 105 ILE HD1 H 0.620 0.030 1 1080 130 105 ILE HG12 H 0.826 0.030 2 1081 130 105 ILE HG13 H 1.081 0.030 2 1082 130 105 ILE HG2 H 0.699 0.030 1 1083 130 105 ILE C C 172.609 0.300 1 1084 130 105 ILE CA C 56.755 0.300 1 1085 130 105 ILE CB C 37.214 0.300 1 1086 130 105 ILE CD1 C 10.111 0.300 1 1087 130 105 ILE CG1 C 24.981 0.300 1 1088 130 105 ILE CG2 C 15.652 0.300 1 1089 130 105 ILE N N 125.492 0.300 1 1090 131 106 SER H H 8.487 0.030 1 1091 131 106 SER HA H 5.181 0.030 1 1092 131 106 SER HB2 H 3.642 0.030 2 1093 131 106 SER HB3 H 3.850 0.030 2 1094 131 106 SER C C 172.139 0.300 1 1095 131 106 SER CA C 54.747 0.300 1 1096 131 106 SER CB C 60.840 0.300 1 1097 131 106 SER N N 121.279 0.300 1 1098 132 107 TRP H H 9.135 0.030 1 1099 132 107 TRP HA H 4.452 0.030 1 1100 132 107 TRP HB2 H 3.033 0.030 2 1101 132 107 TRP HB3 H 3.557 0.030 2 1102 132 107 TRP HD1 H 7.106 0.030 1 1103 132 107 TRP HE1 H 10.097 0.030 1 1104 132 107 TRP HZ2 H 7.276 0.030 1 1105 132 107 TRP C C 172.029 0.300 1 1106 132 107 TRP CA C 58.227 0.300 1 1107 132 107 TRP CB C 26.043 0.300 1 1108 132 107 TRP CD1 C 123.905 0.300 1 1109 132 107 TRP N N 129.130 0.300 1 1110 132 107 TRP NE1 N 129.378 0.300 1 1111 133 108 ARG H H 6.230 0.030 1 1112 133 108 ARG HA H 4.134 0.030 1 1113 133 108 ARG HB2 H 1.060 0.030 2 1114 133 108 ARG HB3 H 1.201 0.030 2 1115 133 108 ARG HD2 H 2.939 0.030 2 1116 133 108 ARG HD3 H 2.939 0.030 2 1117 133 108 ARG HG2 H 1.215 0.030 2 1118 133 108 ARG HG3 H 1.215 0.030 2 1119 133 108 ARG C C 170.877 0.300 1 1120 133 108 ARG CA C 50.848 0.300 1 1121 133 108 ARG CB C 30.771 0.300 1 1122 133 108 ARG CD C 40.751 0.300 1 1123 133 108 ARG CG C 23.716 0.300 1 1124 133 108 ARG N N 122.789 0.300 1 1125 134 109 ASN H H 7.327 0.030 1 1126 134 109 ASN HA H 4.280 0.030 1 1127 134 109 ASN HB2 H 3.756 0.030 2 1128 134 109 ASN HB3 H 2.903 0.030 2 1129 134 109 ASN HD21 H 7.305 0.030 2 1130 134 109 ASN HD22 H 7.877 0.030 2 1131 134 109 ASN C C 175.382 0.300 1 1132 134 109 ASN CA C 48.123 0.300 1 1133 134 109 ASN CB C 36.060 0.300 1 1134 134 109 ASN N N 117.428 0.300 1 1135 134 109 ASN ND2 N 112.749 0.300 1 1136 135 110 ARG H H 8.351 0.030 1 1137 135 110 ARG HA H 3.905 0.030 1 1138 135 110 ARG HB2 H 1.493 0.030 2 1139 135 110 ARG HB3 H 1.589 0.030 2 1140 135 110 ARG HD2 H 2.980 0.030 2 1141 135 110 ARG HD3 H 2.980 0.030 2 1142 135 110 ARG HG2 H 0.974 0.030 2 1143 135 110 ARG HG3 H 1.328 0.030 2 1144 135 110 ARG C C 173.662 0.300 1 1145 135 110 ARG CA C 55.633 0.300 1 1146 135 110 ARG CB C 26.736 0.300 1 1147 135 110 ARG CD C 40.595 0.300 1 1148 135 110 ARG CG C 23.642 0.300 1 1149 135 110 ARG N N 116.736 0.300 1 1150 136 111 HIS H H 7.287 0.030 1 1151 136 111 HIS HA H 4.656 0.030 1 1152 136 111 HIS HB2 H 2.893 0.030 2 1153 136 111 HIS HB3 H 3.326 0.030 2 1154 136 111 HIS HD2 H 6.875 0.030 1 1155 136 111 HIS C C 172.991 0.300 1 1156 136 111 HIS CA C 52.491 0.300 1 1157 136 111 HIS CB C 27.968 0.300 1 1158 136 111 HIS N N 116.951 0.300 1 1159 137 112 GLY H H 8.064 0.030 1 1160 137 112 GLY HA2 H 3.391 0.030 2 1161 137 112 GLY HA3 H 4.172 0.030 2 1162 137 112 GLY C C 171.167 0.300 1 1163 137 112 GLY CA C 42.619 0.300 1 1164 137 112 GLY N N 107.836 0.300 1 1165 138 113 LYS H H 7.731 0.030 1 1166 138 113 LYS HA H 4.258 0.030 1 1167 138 113 LYS HB2 H 1.643 0.030 2 1168 138 113 LYS HB3 H 1.797 0.030 2 1169 138 113 LYS HD2 H 1.648 0.030 2 1170 138 113 LYS HD3 H 1.648 0.030 2 1171 138 113 LYS HE2 H 2.972 0.030 2 1172 138 113 LYS HE3 H 2.972 0.030 2 1173 138 113 LYS HG2 H 1.333 0.030 2 1174 138 113 LYS HG3 H 1.475 0.030 2 1175 138 113 LYS C C 173.508 0.300 1 1176 138 113 LYS CA C 53.376 0.300 1 1177 138 113 LYS CB C 30.311 0.300 1 1178 138 113 LYS CD C 26.125 0.300 1 1179 138 113 LYS CE C 39.449 0.300 1 1180 138 113 LYS CG C 22.357 0.300 1 1181 138 113 LYS N N 121.519 0.300 1 1182 139 114 GLN H H 8.627 0.030 1 1183 139 114 GLN HA H 4.771 0.030 1 1184 139 114 GLN HB2 H 1.966 0.030 2 1185 139 114 GLN HB3 H 2.131 0.030 2 1186 139 114 GLN HG2 H 2.299 0.030 2 1187 139 114 GLN HG3 H 2.355 0.030 2 1188 139 114 GLN C C 172.838 0.300 1 1189 139 114 GLN CA C 53.395 0.300 1 1190 139 114 GLN CB C 29.209 0.300 1 1191 139 114 GLN CG C 31.569 0.300 1 1192 139 114 GLN N N 121.686 0.300 1 1193 140 115 VAL H H 7.556 0.030 1 1194 140 115 VAL HA H 3.928 0.030 1 1195 140 115 VAL HB H 1.914 0.030 1 1196 140 115 VAL HG1 H 0.783 0.030 2 1197 140 115 VAL HG2 H 0.900 0.030 2 1198 140 115 VAL C C 172.584 0.300 1 1199 140 115 VAL CA C 60.713 0.300 1 1200 140 115 VAL CB C 29.266 0.300 1 1201 140 115 VAL CG1 C 20.364 0.300 1 1202 140 115 VAL CG2 C 19.544 0.300 1 1203 140 115 VAL N N 118.634 0.300 1 1204 141 116 LEU H H 9.174 0.030 1 1205 141 116 LEU HA H 4.329 0.030 1 1206 141 116 LEU HB2 H 0.723 0.030 2 1207 141 116 LEU HB3 H 0.949 0.030 2 1208 141 116 LEU HD1 H 0.758 0.030 2 1209 141 116 LEU HD2 H 0.816 0.030 2 1210 141 116 LEU HG H 1.694 0.030 1 1211 141 116 LEU C C 173.027 0.300 1 1212 141 116 LEU CA C 51.716 0.300 1 1213 141 116 LEU CB C 38.875 0.300 1 1214 141 116 LEU CD1 C 21.445 0.300 1 1215 141 116 LEU CD2 C 22.812 0.300 1 1216 141 116 LEU CG C 25.154 0.300 1 1217 141 116 LEU N N 130.798 0.300 1 1218 142 117 ASP H H 7.982 0.030 1 1219 142 117 ASP HA H 4.422 0.030 1 1220 142 117 ASP HB2 H 2.496 0.030 2 1221 142 117 ASP HB3 H 2.624 0.030 2 1222 142 117 ASP C C 172.342 0.300 1 1223 142 117 ASP CA C 52.384 0.300 1 1224 142 117 ASP CB C 38.620 0.300 1 1225 142 117 ASP N N 120.175 0.300 1 1226 143 118 GLY H H 7.948 0.030 1 1227 143 118 GLY HA2 H 3.429 0.030 2 1228 143 118 GLY HA3 H 4.362 0.030 2 1229 143 118 GLY C C 170.770 0.300 1 1230 143 118 GLY CA C 41.041 0.300 1 1231 143 118 GLY N N 108.993 0.300 1 1232 144 119 ASN H H 7.886 0.030 1 1233 144 119 ASN HA H 3.795 0.030 1 1234 144 119 ASN HB2 H 2.363 0.030 2 1235 144 119 ASN HB3 H 2.810 0.030 2 1236 144 119 ASN HD21 H 7.093 0.030 2 1237 144 119 ASN HD22 H 7.761 0.030 2 1238 144 119 ASN C C 170.045 0.300 1 1239 144 119 ASN CA C 53.265 0.300 1 1240 144 119 ASN CB C 38.730 0.300 1 1241 144 119 ASN N N 119.564 0.300 1 1242 144 119 ASN ND2 N 114.241 0.300 1 1243 145 120 SER H H 7.327 0.030 1 1244 145 120 SER HA H 4.210 0.030 1 1245 145 120 SER HB2 H 3.546 0.030 2 1246 145 120 SER HB3 H 3.756 0.030 2 1247 145 120 SER C C 169.738 0.300 1 1248 145 120 SER CA C 54.770 0.300 1 1249 145 120 SER CB C 61.781 0.300 1 1250 145 120 SER N N 110.105 0.300 1 1251 146 121 ASN H H 6.885 0.030 1 1252 146 121 ASN HA H 3.759 0.030 1 1253 146 121 ASN HB2 H 2.348 0.030 2 1254 146 121 ASN HB3 H 2.640 0.030 2 1255 146 121 ASN HD21 H 7.415 0.030 2 1256 146 121 ASN HD22 H 7.526 0.030 2 1257 146 121 ASN CA C 48.948 0.300 1 1258 146 121 ASN CB C 34.802 0.300 1 1259 146 121 ASN N N 117.326 0.300 1 1260 146 121 ASN ND2 N 118.777 0.300 1 1261 147 122 PRO HA H 4.156 0.030 1 1262 147 122 PRO HB2 H 2.102 0.030 2 1263 147 122 PRO HB3 H 1.769 0.030 2 1264 147 122 PRO HG2 H 2.055 0.030 2 1265 147 122 PRO HG3 H 2.055 0.030 2 1266 147 122 PRO C C 171.309 0.300 1 1267 147 122 PRO CA C 62.135 0.300 1 1268 147 122 PRO CB C 30.323 0.300 1 1269 147 122 PRO CD C 48.263 0.300 1 1270 147 122 PRO CG C 24.920 0.300 1 1271 148 123 TYR H H 6.468 0.030 1 1272 148 123 TYR HA H 4.589 0.030 1 1273 148 123 TYR HB2 H 2.299 0.030 2 1274 148 123 TYR HB3 H 2.491 0.030 2 1275 148 123 TYR HD1 H 6.765 0.030 1 1276 148 123 TYR HD2 H 6.765 0.030 1 1277 148 123 TYR C C 174.048 0.300 1 1278 148 123 TYR CA C 52.466 0.300 1 1279 148 123 TYR CB C 36.970 0.300 1 1280 148 123 TYR N N 110.832 0.300 1 1281 149 124 ASP H H 7.946 0.030 1 1282 149 124 ASP HA H 4.578 0.030 1 1283 149 124 ASP HB2 H 2.217 0.030 2 1284 149 124 ASP HB3 H 2.319 0.030 2 1285 149 124 ASP C C 173.858 0.300 1 1286 149 124 ASP CA C 52.902 0.300 1 1287 149 124 ASP CB C 38.917 0.300 1 1288 149 124 ASP N N 123.823 0.300 1 1289 150 125 ILE H H 8.477 0.030 1 1290 150 125 ILE HA H 3.990 0.030 1 1291 150 125 ILE HB H 1.619 0.030 1 1292 150 125 ILE HD1 H 0.892 0.030 1 1293 150 125 ILE HG12 H 0.652 0.030 2 1294 150 125 ILE HG13 H 1.636 0.030 2 1295 150 125 ILE HG2 H 0.731 0.030 1 1296 150 125 ILE C C 173.070 0.300 1 1297 150 125 ILE CA C 59.533 0.300 1 1298 150 125 ILE CB C 36.509 0.300 1 1299 150 125 ILE CD1 C 11.857 0.300 1 1300 150 125 ILE CG1 C 26.791 0.300 1 1301 150 125 ILE CG2 C 14.565 0.300 1 1302 150 125 ILE N N 120.419 0.300 1 1303 151 126 PHE H H 8.587 0.030 1 1304 151 126 PHE HA H 4.928 0.030 1 1305 151 126 PHE HB2 H 2.748 0.030 2 1306 151 126 PHE HB3 H 2.950 0.030 2 1307 151 126 PHE HD1 H 7.257 0.030 1 1308 151 126 PHE HD2 H 7.257 0.030 1 1309 151 126 PHE HE1 H 7.064 0.030 1 1310 151 126 PHE HE2 H 7.064 0.030 1 1311 151 126 PHE C C 172.797 0.300 1 1312 151 126 PHE CA C 53.972 0.300 1 1313 151 126 PHE CB C 38.173 0.300 1 1314 151 126 PHE N N 128.967 0.300 1 1315 152 127 LEU H H 8.563 0.030 1 1316 152 127 LEU HA H 5.076 0.030 1 1317 152 127 LEU HB2 H 1.132 0.030 2 1318 152 127 LEU HB3 H 1.462 0.030 2 1319 152 127 LEU HD1 H 0.500 0.030 2 1320 152 127 LEU HD2 H 0.557 0.030 2 1321 152 127 LEU HG H 1.320 0.030 1 1322 152 127 LEU C C 173.205 0.300 1 1323 152 127 LEU CA C 51.301 0.300 1 1324 152 127 LEU CB C 40.848 0.300 1 1325 152 127 LEU CD1 C 20.653 0.300 1 1326 152 127 LEU CD2 C 22.480 0.300 1 1327 152 127 LEU CG C 24.178 0.300 1 1328 152 127 LEU N N 130.767 0.300 1 1329 153 128 LYS H H 8.947 0.030 1 1330 153 128 LYS HA H 4.445 0.030 1 1331 153 128 LYS HB2 H 1.556 0.030 2 1332 153 128 LYS HB3 H 1.657 0.030 2 1333 153 128 LYS HD2 H 1.756 0.030 2 1334 153 128 LYS HD3 H 1.900 0.030 2 1335 153 128 LYS HE2 H 3.091 0.030 2 1336 153 128 LYS HE3 H 3.091 0.030 2 1337 153 128 LYS HG2 H 1.354 0.030 2 1338 153 128 LYS HG3 H 1.415 0.030 2 1339 153 128 LYS C C 171.792 0.300 1 1340 153 128 LYS CA C 51.115 0.300 1 1341 153 128 LYS CB C 31.767 0.300 1 1342 153 128 LYS CD C 25.446 0.300 1 1343 153 128 LYS CE C 39.406 0.300 1 1344 153 128 LYS CG C 20.547 0.300 1 1345 153 128 LYS N N 123.466 0.300 1 1346 154 129 ASP H H 8.318 0.030 1 1347 154 129 ASP HA H 4.593 0.030 1 1348 154 129 ASP HB2 H 1.936 0.030 2 1349 154 129 ASP HB3 H 1.936 0.030 2 1350 154 129 ASP C C 172.879 0.300 1 1351 154 129 ASP CA C 51.976 0.300 1 1352 154 129 ASP CB C 39.285 0.300 1 1353 154 129 ASP N N 124.427 0.300 1 1354 155 130 LEU H H 8.184 0.030 1 1355 155 130 LEU HA H 4.241 0.030 1 1356 155 130 LEU HB2 H 0.697 0.030 2 1357 155 130 LEU HB3 H 1.530 0.030 2 1358 155 130 LEU HD1 H -0.482 0.030 2 1359 155 130 LEU HD2 H 0.130 0.030 2 1360 155 130 LEU HG H 1.001 0.030 1 1361 155 130 LEU C C 170.952 0.300 1 1362 155 130 LEU CA C 51.492 0.300 1 1363 155 130 LEU CB C 37.913 0.300 1 1364 155 130 LEU CD1 C 18.586 0.300 1 1365 155 130 LEU CD2 C 23.293 0.300 1 1366 155 130 LEU CG C 23.398 0.300 1 1367 155 130 LEU N N 123.472 0.300 1 1368 156 131 GLU H H 7.691 0.030 1 1369 156 131 GLU HA H 4.696 0.030 1 1370 156 131 GLU HB2 H 1.982 0.030 2 1371 156 131 GLU HB3 H 1.982 0.030 2 1372 156 131 GLU HG2 H 2.115 0.030 2 1373 156 131 GLU HG3 H 2.165 0.030 2 1374 156 131 GLU CA C 49.573 0.300 1 1375 156 131 GLU CB C 29.066 0.300 1 1376 156 131 GLU N N 124.451 0.300 1 1377 157 132 PRO HA H 5.102 0.030 1 1378 157 132 PRO HB2 H 2.178 0.030 2 1379 157 132 PRO HB3 H 2.391 0.030 2 1380 157 132 PRO HD2 H 3.776 0.030 2 1381 157 132 PRO HD3 H 3.286 0.030 2 1382 157 132 PRO HG2 H 1.920 0.030 2 1383 157 132 PRO HG3 H 2.012 0.030 2 1384 157 132 PRO CA C 59.692 0.300 1 1385 157 132 PRO CB C 30.532 0.300 1 1386 157 132 PRO CD C 47.437 0.300 1 1387 157 132 PRO CG C 22.475 0.300 1 1388 158 133 PRO HA H 4.474 0.030 1 1389 158 133 PRO HB2 H 1.462 0.030 2 1390 158 133 PRO HB3 H 2.094 0.030 2 1391 158 133 PRO HD2 H 3.581 0.030 2 1392 158 133 PRO HD3 H 3.836 0.030 2 1393 158 133 PRO HG2 H 1.771 0.030 2 1394 158 133 PRO HG3 H 1.945 0.030 2 1395 158 133 PRO C C 173.957 0.300 1 1396 158 133 PRO CA C 59.866 0.300 1 1397 158 133 PRO CB C 29.991 0.300 1 1398 158 133 PRO CD C 47.350 0.300 1 1399 158 133 PRO CG C 24.633 0.300 1 1400 159 134 ILE H H 7.849 0.030 1 1401 159 134 ILE HA H 3.859 0.030 1 1402 159 134 ILE HB H 0.941 0.030 1 1403 159 134 ILE HD1 H 0.082 0.030 1 1404 159 134 ILE HG12 H 1.065 0.030 2 1405 159 134 ILE HG13 H 0.373 0.030 2 1406 159 134 ILE HG2 H 0.024 0.030 1 1407 159 134 ILE C C 171.590 0.300 1 1408 159 134 ILE CA C 58.026 0.300 1 1409 159 134 ILE CB C 38.057 0.300 1 1410 159 134 ILE CD1 C 11.237 0.300 1 1411 159 134 ILE CG1 C 25.198 0.300 1 1412 159 134 ILE CG2 C 15.633 0.300 1 1413 159 134 ILE N N 118.229 0.300 1 1414 160 135 VAL H H 7.594 0.030 1 1415 160 135 VAL HA H 4.860 0.030 1 1416 160 135 VAL HB H 1.701 0.030 1 1417 160 135 VAL HG1 H 0.470 0.030 2 1418 160 135 VAL HG2 H 0.505 0.030 2 1419 160 135 VAL C C 172.859 0.300 1 1420 160 135 VAL CA C 58.363 0.300 1 1421 160 135 VAL CB C 29.265 0.300 1 1422 160 135 VAL CG1 C 18.581 0.300 1 1423 160 135 VAL CG2 C 18.643 0.300 1 1424 160 135 VAL N N 125.107 0.300 1 1425 161 136 ALA H H 8.671 0.030 1 1426 161 136 ALA HA H 4.314 0.030 1 1427 161 136 ALA HB H 1.292 0.030 1 1428 161 136 ALA C C 172.030 0.300 1 1429 161 136 ALA CA C 49.241 0.300 1 1430 161 136 ALA CB C 22.023 0.300 1 1431 161 136 ALA N N 123.824 0.300 1 1432 162 137 ARG H H 7.525 0.030 1 1433 162 137 ARG HA H 4.532 0.030 1 1434 162 137 ARG HB2 H 1.330 0.030 2 1435 162 137 ARG HB3 H 1.430 0.030 2 1436 162 137 ARG HE H 8.124 0.030 1 1437 162 137 ARG HG2 H 1.465 0.030 2 1438 162 137 ARG HG3 H 1.465 0.030 2 1439 162 137 ARG C C 170.047 0.300 1 1440 162 137 ARG CA C 54.704 0.300 1 1441 162 137 ARG CB C 29.650 0.300 1 1442 162 137 ARG CD C 40.629 0.300 1 1443 162 137 ARG CG C 24.274 0.300 1 1444 162 137 ARG N N 118.233 0.300 1 1445 162 137 ARG NE N 87.533 0.300 1 1446 163 138 PHE H H 8.225 0.030 1 1447 163 138 PHE HA H 5.756 0.030 1 1448 163 138 PHE HB2 H 2.485 0.030 2 1449 163 138 PHE HB3 H 2.895 0.030 2 1450 163 138 PHE HD1 H 6.629 0.030 1 1451 163 138 PHE HD2 H 6.629 0.030 1 1452 163 138 PHE HE1 H 6.831 0.030 1 1453 163 138 PHE HE2 H 6.831 0.030 1 1454 163 138 PHE C C 173.869 0.300 1 1455 163 138 PHE CA C 52.696 0.300 1 1456 163 138 PHE CB C 42.454 0.300 1 1457 163 138 PHE N N 112.800 0.300 1 1458 164 139 VAL H H 8.794 0.030 1 1459 164 139 VAL HA H 4.682 0.030 1 1460 164 139 VAL HB H 1.712 0.030 1 1461 164 139 VAL HG1 H 0.670 0.030 2 1462 164 139 VAL HG2 H 0.566 0.030 2 1463 164 139 VAL C C 171.314 0.300 1 1464 164 139 VAL CA C 58.877 0.300 1 1465 164 139 VAL CB C 33.461 0.300 1 1466 164 139 VAL CG1 C 18.961 0.300 1 1467 164 139 VAL CG2 C 19.078 0.300 1 1468 164 139 VAL N N 118.835 0.300 1 1469 165 140 ARG H H 9.410 0.030 1 1470 165 140 ARG HA H 5.602 0.030 1 1471 165 140 ARG HB2 H 1.209 0.030 2 1472 165 140 ARG HB3 H 1.198 0.030 2 1473 165 140 ARG HD2 H 2.919 0.030 2 1474 165 140 ARG HD3 H 2.919 0.030 2 1475 165 140 ARG HE H 5.931 0.030 1 1476 165 140 ARG HG2 H 0.872 0.030 2 1477 165 140 ARG HG3 H 0.872 0.030 2 1478 165 140 ARG C C 172.438 0.300 1 1479 165 140 ARG CA C 51.727 0.300 1 1480 165 140 ARG CB C 31.829 0.300 1 1481 165 140 ARG CD C 39.987 0.300 1 1482 165 140 ARG CG C 24.723 0.300 1 1483 165 140 ARG N N 124.053 0.300 1 1484 165 140 ARG NE N 84.234 0.300 1 1485 166 141 PHE H H 9.273 0.030 1 1486 166 141 PHE HA H 4.794 0.030 1 1487 166 141 PHE HB2 H 2.979 0.030 2 1488 166 141 PHE HB3 H 2.467 0.030 2 1489 166 141 PHE HD1 H 6.842 0.030 1 1490 166 141 PHE HD2 H 6.842 0.030 1 1491 166 141 PHE HE1 H 7.003 0.030 1 1492 166 141 PHE HE2 H 7.003 0.030 1 1493 166 141 PHE HZ H 6.400 0.030 1 1494 166 141 PHE C C 172.922 0.300 1 1495 166 141 PHE CA C 55.148 0.300 1 1496 166 141 PHE CB C 39.137 0.300 1 1497 166 141 PHE N N 120.607 0.300 1 1498 167 142 ILE H H 9.124 0.030 1 1499 167 142 ILE HA H 5.077 0.030 1 1500 167 142 ILE HB H 1.779 0.030 1 1501 167 142 ILE HD1 H 0.622 0.030 1 1502 167 142 ILE HG12 H 1.178 0.030 2 1503 167 142 ILE HG13 H 1.307 0.030 2 1504 167 142 ILE HG2 H 0.951 0.030 1 1505 167 142 ILE CA C 54.934 0.300 1 1506 167 142 ILE CB C 37.810 0.300 1 1507 167 142 ILE CD1 C 12.151 0.300 1 1508 167 142 ILE CG2 C 13.947 0.300 1 1509 167 142 ILE N N 124.144 0.300 1 1510 168 143 PRO HA H 4.582 0.030 1 1511 168 143 PRO HB2 H 1.881 0.030 2 1512 168 143 PRO HB3 H 2.431 0.030 2 1513 168 143 PRO HD2 H 3.834 0.030 2 1514 168 143 PRO HD3 H 3.834 0.030 2 1515 168 143 PRO C C 171.140 0.300 1 1516 168 143 PRO CA C 60.371 0.300 1 1517 168 143 PRO CB C 30.658 0.300 1 1518 168 143 PRO CD C 47.455 0.300 1 1519 169 144 VAL H H 8.195 0.030 1 1520 169 144 VAL HA H 4.164 0.030 1 1521 169 144 VAL HB H 1.448 0.030 1 1522 169 144 VAL HG1 H 0.881 0.030 2 1523 169 144 VAL HG2 H 1.009 0.030 2 1524 169 144 VAL C C 170.301 0.300 1 1525 169 144 VAL CA C 58.952 0.300 1 1526 169 144 VAL CB C 32.690 0.300 1 1527 169 144 VAL CG1 C 19.045 0.300 1 1528 169 144 VAL CG2 C 19.095 0.300 1 1529 169 144 VAL N N 121.376 0.300 1 1530 170 145 THR H H 6.455 0.030 1 1531 170 145 THR HA H 4.546 0.030 1 1532 170 145 THR HB H 4.306 0.030 1 1533 170 145 THR HG2 H 0.874 0.030 1 1534 170 145 THR C C 171.036 0.300 1 1535 170 145 THR CA C 55.332 0.300 1 1536 170 145 THR CB C 68.519 0.300 1 1537 170 145 THR CG2 C 20.574 0.300 1 1538 170 145 THR N N 110.811 0.300 1 1539 171 146 ASP H H 8.779 0.030 1 1540 171 146 ASP HA H 4.669 0.030 1 1541 171 146 ASP HB2 H 2.394 0.030 2 1542 171 146 ASP HB3 H 2.877 0.030 2 1543 171 146 ASP C C 172.992 0.300 1 1544 171 146 ASP CA C 50.598 0.300 1 1545 171 146 ASP CB C 38.908 0.300 1 1546 171 146 ASP N N 115.437 0.300 1 1547 172 147 HIS H H 7.581 0.030 1 1548 172 147 HIS HA H 4.481 0.030 1 1549 172 147 HIS HB2 H 3.088 0.030 2 1550 172 147 HIS HB3 H 3.266 0.030 2 1551 172 147 HIS C C 169.383 0.300 1 1552 172 147 HIS CA C 51.331 0.300 1 1553 172 147 HIS CB C 27.036 0.300 1 1554 172 147 HIS N N 114.730 0.300 1 1555 173 148 SER H H 8.602 0.030 1 1556 173 148 SER HA H 4.337 0.030 1 1557 173 148 SER HB2 H 3.656 0.030 2 1558 173 148 SER HB3 H 3.804 0.030 2 1559 173 148 SER C C 172.647 0.300 1 1560 173 148 SER CA C 56.641 0.300 1 1561 173 148 SER CB C 59.583 0.300 1 1562 173 148 SER N N 114.996 0.300 1 1563 174 149 MET H H 7.683 0.030 1 1564 174 149 MET HA H 4.458 0.030 1 1565 174 149 MET HB2 H 1.615 0.030 2 1566 174 149 MET HB3 H 1.734 0.030 2 1567 174 149 MET HE H 1.744 0.030 1 1568 174 149 MET HG2 H 2.281 0.030 2 1569 174 149 MET HG3 H 1.999 0.030 2 1570 174 149 MET C C 170.903 0.300 1 1571 174 149 MET CA C 52.498 0.300 1 1572 174 149 MET CB C 33.112 0.300 1 1573 174 149 MET CE C 14.532 0.300 1 1574 174 149 MET CG C 28.010 0.300 1 1575 174 149 MET N N 123.929 0.300 1 1576 175 150 ASN H H 8.522 0.030 1 1577 175 150 ASN HA H 4.934 0.030 1 1578 175 150 ASN HB2 H 2.302 0.030 2 1579 175 150 ASN HB3 H 2.418 0.030 2 1580 175 150 ASN HD21 H 7.214 0.030 2 1581 175 150 ASN HD22 H 6.390 0.030 2 1582 175 150 ASN C C 171.979 0.300 1 1583 175 150 ASN CA C 50.423 0.300 1 1584 175 150 ASN CB C 35.229 0.300 1 1585 175 150 ASN N N 122.857 0.300 1 1586 175 150 ASN ND2 N 110.857 0.300 1 1587 176 151 VAL H H 8.341 0.030 1 1588 176 151 VAL HA H 4.048 0.030 1 1589 176 151 VAL HB H 1.472 0.030 1 1590 176 151 VAL HG1 H 0.476 0.030 2 1591 176 151 VAL HG2 H 0.674 0.030 2 1592 176 151 VAL C C 170.385 0.300 1 1593 176 151 VAL CA C 56.265 0.300 1 1594 176 151 VAL CB C 32.518 0.300 1 1595 176 151 VAL CG1 C 16.811 0.300 1 1596 176 151 VAL CG2 C 18.956 0.300 1 1597 176 151 VAL N N 115.814 0.300 1 1598 177 152 CYS H H 5.945 0.030 1 1599 177 152 CYS HA H 4.920 0.030 1 1600 177 152 CYS HB2 H 2.232 0.030 2 1601 177 152 CYS HB3 H 2.753 0.030 2 1602 177 152 CYS C C 170.167 0.300 1 1603 177 152 CYS CA C 53.257 0.300 1 1604 177 152 CYS CB C 49.227 0.300 1 1605 177 152 CYS N N 113.281 0.300 1 1606 178 153 MET H H 9.706 0.030 1 1607 178 153 MET HA H 5.431 0.030 1 1608 178 153 MET HB2 H 1.908 0.030 2 1609 178 153 MET HB3 H 1.908 0.030 2 1610 178 153 MET HE H 1.621 0.030 1 1611 178 153 MET HG2 H 2.148 0.030 2 1612 178 153 MET HG3 H 2.682 0.030 2 1613 178 153 MET C C 171.720 0.300 1 1614 178 153 MET CA C 53.561 0.300 1 1615 178 153 MET CB C 38.154 0.300 1 1616 178 153 MET CE C 14.050 0.300 1 1617 178 153 MET CG C 30.315 0.300 1 1618 178 153 MET N N 114.477 0.300 1 1619 179 154 ARG H H 8.336 0.030 1 1620 179 154 ARG HA H 4.036 0.030 1 1621 179 154 ARG HB2 H 1.327 0.030 2 1622 179 154 ARG HB3 H 1.789 0.030 2 1623 179 154 ARG C C 173.082 0.300 1 1624 179 154 ARG CA C 53.039 0.300 1 1625 179 154 ARG CB C 32.802 0.300 1 1626 179 154 ARG CD C 41.099 0.300 1 1627 179 154 ARG CG C 25.152 0.300 1 1628 179 154 ARG N N 120.085 0.300 1 1629 180 155 VAL H H 7.908 0.030 1 1630 180 155 VAL HA H 5.414 0.030 1 1631 180 155 VAL HB H 1.510 0.030 1 1632 180 155 VAL HG1 H -0.186 0.030 2 1633 180 155 VAL HG2 H 0.451 0.030 2 1634 180 155 VAL C C 172.522 0.300 1 1635 180 155 VAL CA C 56.339 0.300 1 1636 180 155 VAL CB C 34.047 0.300 1 1637 180 155 VAL CG1 C 17.561 0.300 1 1638 180 155 VAL CG2 C 17.083 0.300 1 1639 180 155 VAL N N 110.421 0.300 1 1640 181 156 GLU H H 8.572 0.030 1 1641 181 156 GLU HA H 4.448 0.030 1 1642 181 156 GLU HB2 H 1.294 0.030 2 1643 181 156 GLU HB3 H 1.662 0.030 2 1644 181 156 GLU HG2 H 2.478 0.030 2 1645 181 156 GLU HG3 H 2.478 0.030 2 1646 181 156 GLU C C 170.829 0.300 1 1647 181 156 GLU CA C 52.109 0.300 1 1648 181 156 GLU CB C 33.345 0.300 1 1649 181 156 GLU CG C 32.867 0.300 1 1650 181 156 GLU N N 118.944 0.300 1 1651 182 157 LEU H H 9.107 0.030 1 1652 182 157 LEU HA H 4.947 0.030 1 1653 182 157 LEU HB2 H 1.396 0.030 2 1654 182 157 LEU HB3 H 1.518 0.030 2 1655 182 157 LEU HD1 H 0.856 0.030 2 1656 182 157 LEU HD2 H 1.027 0.030 2 1657 182 157 LEU HG H 1.664 0.030 1 1658 182 157 LEU C C 170.948 0.300 1 1659 182 157 LEU CA C 50.807 0.300 1 1660 182 157 LEU CB C 44.162 0.300 1 1661 182 157 LEU CD1 C 24.311 0.300 1 1662 182 157 LEU CD2 C 22.582 0.300 1 1663 182 157 LEU CG C 24.749 0.300 1 1664 182 157 LEU N N 124.552 0.300 1 1665 183 158 TYR H H 8.416 0.030 1 1666 183 158 TYR HA H 5.414 0.030 1 1667 183 158 TYR HB2 H 2.192 0.030 2 1668 183 158 TYR HB3 H 2.762 0.030 2 1669 183 158 TYR HD1 H 6.699 0.030 1 1670 183 158 TYR HD2 H 6.699 0.030 1 1671 183 158 TYR HE1 H 6.338 0.030 1 1672 183 158 TYR HE2 H 6.338 0.030 1 1673 183 158 TYR C C 172.792 0.300 1 1674 183 158 TYR CA C 52.371 0.300 1 1675 183 158 TYR CB C 36.869 0.300 1 1676 183 158 TYR CE1 C 114.713 0.300 1 1677 183 158 TYR N N 118.996 0.300 1 1678 184 159 GLY H H 9.050 0.030 1 1679 184 159 GLY HA2 H 5.209 0.030 2 1680 184 159 GLY HA3 H 3.886 0.030 2 1681 184 159 GLY C C 170.173 0.300 1 1682 184 159 GLY CA C 44.722 0.300 1 1683 184 159 GLY N N 108.757 0.300 1 1684 185 160 CYS H H 9.111 0.030 1 1685 185 160 CYS HA H 5.163 0.030 1 1686 185 160 CYS HB2 H 3.379 0.030 2 1687 185 160 CYS HB3 H 3.379 0.030 2 1688 185 160 CYS C C 169.877 0.300 1 1689 185 160 CYS CA C 53.794 0.300 1 1690 185 160 CYS CB C 39.148 0.300 1 1691 185 160 CYS N N 115.102 0.300 1 1692 186 161 VAL H H 8.408 0.030 1 1693 186 161 VAL HA H 3.379 0.030 1 1694 186 161 VAL HB H 1.797 0.030 1 1695 186 161 VAL HG1 H 0.722 0.030 2 1696 186 161 VAL HG2 H 0.714 0.030 2 1697 186 161 VAL C C 172.921 0.300 1 1698 186 161 VAL CA C 60.904 0.300 1 1699 186 161 VAL CB C 29.415 0.300 1 1700 186 161 VAL CG1 C 18.386 0.300 1 1701 186 161 VAL CG2 C 18.594 0.300 1 1702 186 161 VAL N N 120.155 0.300 1 stop_ save_