data_27165 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments of the partially deuterated Fyn SH2-SH3 domain ; _BMRB_accession_number 27165 _BMRB_flat_file_name bmr27165.str _Entry_type original _Submission_date 2017-06-30 _Accession_date 2017-06-30 _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 Kieken Fabien . . 2 Loth Karine . . 3 'Van Nuland' Nico . . 4 Tompa Peter . . 5 Lenaerts TOM . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 994 "13C chemical shifts" 750 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-06 update BMRB 'update entry citation' 2017-12-14 original author 'original release' stop_ _Original_release_date 2017-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift assignments of the partially deuterated Fyn SH2-SH3 domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29224116 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kieken Fabien . . 2 Loth Karine . . 3 'Van Nuland' Nico . . 4 Tompa Peter . . 5 Lenaerts TOM . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 117 _Page_last 122 _Year 2018 _Details . loop_ _Keyword 'Fyn Kinase' NMR SH3-SH2 'Src Family' 'Tandem domains' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fyn SH3SH2 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Fyn-SH3SH2 $Fyn_Human_SH3-SH2 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_Fyn_Human_SH3-SH2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Fyn_Human_SH3-SH2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; GSHMTGVTLFVALYDYEART EDDLSFHKGEKFQILNSSEG DWWEARSLTTGETGYIPSNY VAPVDSIQAEEWYFGKLGRK DAERQLLSFGNPRGTFLIRE SETTKGAYSLSIRDWDDMKG DHVKHYKIRKLDNGGYYITT RAQFETLQQLVQHYSERAAG LCCRLVVPCHK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 HIS 4 4 MET 5 5 THR 6 6 GLY 7 7 VAL 8 8 THR 9 9 LEU 10 10 PHE 11 11 VAL 12 12 ALA 13 13 LEU 14 14 TYR 15 15 ASP 16 16 TYR 17 17 GLU 18 18 ALA 19 19 ARG 20 20 THR 21 21 GLU 22 22 ASP 23 23 ASP 24 24 LEU 25 25 SER 26 26 PHE 27 27 HIS 28 28 LYS 29 29 GLY 30 30 GLU 31 31 LYS 32 32 PHE 33 33 GLN 34 34 ILE 35 35 LEU 36 36 ASN 37 37 SER 38 38 SER 39 39 GLU 40 40 GLY 41 41 ASP 42 42 TRP 43 43 TRP 44 44 GLU 45 45 ALA 46 46 ARG 47 47 SER 48 48 LEU 49 49 THR 50 50 THR 51 51 GLY 52 52 GLU 53 53 THR 54 54 GLY 55 55 TYR 56 56 ILE 57 57 PRO 58 58 SER 59 59 ASN 60 60 TYR 61 61 VAL 62 62 ALA 63 63 PRO 64 64 VAL 65 65 ASP 66 66 SER 67 67 ILE 68 68 GLN 69 69 ALA 70 70 GLU 71 71 GLU 72 72 TRP 73 73 TYR 74 74 PHE 75 75 GLY 76 76 LYS 77 77 LEU 78 78 GLY 79 79 ARG 80 80 LYS 81 81 ASP 82 82 ALA 83 83 GLU 84 84 ARG 85 85 GLN 86 86 LEU 87 87 LEU 88 88 SER 89 89 PHE 90 90 GLY 91 91 ASN 92 92 PRO 93 93 ARG 94 94 GLY 95 95 THR 96 96 PHE 97 97 LEU 98 98 ILE 99 99 ARG 100 100 GLU 101 101 SER 102 102 GLU 103 103 THR 104 104 THR 105 105 LYS 106 106 GLY 107 107 ALA 108 108 TYR 109 109 SER 110 110 LEU 111 111 SER 112 112 ILE 113 113 ARG 114 114 ASP 115 115 TRP 116 116 ASP 117 117 ASP 118 118 MET 119 119 LYS 120 120 GLY 121 121 ASP 122 122 HIS 123 123 VAL 124 124 LYS 125 125 HIS 126 126 TYR 127 127 LYS 128 128 ILE 129 129 ARG 130 130 LYS 131 131 LEU 132 132 ASP 133 133 ASN 134 134 GLY 135 135 GLY 136 136 TYR 137 137 TYR 138 138 ILE 139 139 THR 140 140 THR 141 141 ARG 142 142 ALA 143 143 GLN 144 144 PHE 145 145 GLU 146 146 THR 147 147 LEU 148 148 GLN 149 149 GLN 150 150 LEU 151 151 VAL 152 152 GLN 153 153 HIS 154 154 TYR 155 155 SER 156 156 GLU 157 157 ARG 158 158 ALA 159 159 ALA 160 160 GLY 161 161 LEU 162 162 CYS 163 163 CYS 164 164 ARG 165 165 LEU 166 166 VAL 167 167 VAL 168 168 PRO 169 169 CYS 170 170 HIS 171 171 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Fyn_Human_SH3-SH2 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 $Fyn_Human_SH3-SH2 'recombinant technology' . Escherichia coli . pet15b 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 $Fyn_Human_SH3-SH2 800 uM 'U-100% 15N, U-100% 13C, 60% 2H' 'sodium phosphate' 50 mM 'natural abundance' 'sodium sulfate' 100 mM 'natural abundance' 'B mercapto ethanol' 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 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 Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50 mM sodium phosphate buffer pH 6.5, 100 mM Na2SO4, 2 mM BME, 10% D2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . 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 0.0 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D HNCO' '3D HNCA' '3D HBHA(CO)NH' '3D HCCH-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 Fyn-SH3SH2 _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 3 3 HIS CA C 54.3000 0.0000 1 2 3 3 HIS CB C 29.9800 0.0000 1 3 4 4 MET H H 8.4200 0.0000 1 4 4 4 MET C C 176.2700 0.0000 1 5 4 4 MET CA C 55.1800 0.0000 1 6 4 4 MET CB C 32.5800 0.0000 1 7 4 4 MET N N 121.7200 0.0000 1 8 5 5 THR H H 8.1700 0.0000 1 9 5 5 THR HA H 4.2900 0.0000 1 10 5 5 THR HB H 4.1500 0.0000 1 11 5 5 THR HG2 H 1.1100 0.0000 1 12 5 5 THR C C 175.0900 0.0000 1 13 5 5 THR CA C 61.8400 0.0000 1 14 5 5 THR CB C 69.2800 0.0000 1 15 5 5 THR CG2 C 21.1700 0.0000 1 16 5 5 THR N N 115.4600 0.0000 1 17 6 6 GLY H H 8.5000 0.0000 1 18 6 6 GLY HA2 H 3.9500 0.0000 2 19 6 6 GLY HA3 H 3.9500 0.0000 2 20 6 6 GLY C C 174.1000 0.0000 1 21 6 6 GLY CA C 44.8700 0.0000 1 22 6 6 GLY N N 111.1900 0.0000 1 23 7 7 VAL H H 7.9200 0.0000 1 24 7 7 VAL HA H 4.2200 0.0000 1 25 7 7 VAL HB H 2.0600 0.0000 1 26 7 7 VAL HG1 H 0.8600 0.0000 2 27 7 7 VAL HG2 H 0.8600 0.0000 2 28 7 7 VAL C C 176.0600 0.0000 1 29 7 7 VAL CA C 61.7200 0.0000 1 30 7 7 VAL CB C 32.2900 0.0000 1 31 7 7 VAL CG1 C 20.7300 0.0000 2 32 7 7 VAL CG2 C 19.8100 0.0000 2 33 7 7 VAL N N 118.8000 0.0000 1 34 8 8 THR H H 8.3800 0.0000 1 35 8 8 THR HA H 4.4000 0.0000 1 36 8 8 THR HB H 4.2000 0.0000 1 37 8 8 THR HG2 H 1.1000 0.0000 1 38 8 8 THR C C 173.5200 0.0000 1 39 8 8 THR CA C 61.5000 0.0000 1 40 8 8 THR CB C 69.6500 0.0000 1 41 8 8 THR CG2 C 21.0600 0.0000 1 42 8 8 THR N N 119.4500 0.0000 1 43 9 9 LEU H H 8.2600 0.0000 1 44 9 9 LEU HA H 5.1600 0.0000 1 45 9 9 LEU HB2 H 1.6400 0.0000 2 46 9 9 LEU HB3 H 1.3500 0.0000 2 47 9 9 LEU HG H 1.6300 0.0000 1 48 9 9 LEU HD1 H 0.8400 0.0000 2 49 9 9 LEU HD2 H 0.8400 0.0000 2 50 9 9 LEU C C 176.0800 0.0000 1 51 9 9 LEU CA C 53.8900 0.0000 1 52 9 9 LEU CB C 42.9800 0.0000 1 53 9 9 LEU CG C 26.4000 0.0000 1 54 9 9 LEU CD1 C 24.7500 0.0000 2 55 9 9 LEU CD2 C 23.2000 0.0000 2 56 9 9 LEU N N 125.4800 0.0000 1 57 10 10 PHE H H 8.9500 0.0000 1 58 10 10 PHE HA H 5.1500 0.0000 1 59 10 10 PHE HB2 H 2.7500 0.0000 2 60 10 10 PHE HB3 H 2.7100 0.0000 2 61 10 10 PHE HD1 H 6.9800 0.0000 3 62 10 10 PHE HD2 H 6.9800 0.0000 1 63 10 10 PHE HE1 H 6.6400 0.0000 3 64 10 10 PHE HE2 H 6.6400 0.0000 1 65 10 10 PHE C C 173.9100 0.0000 1 66 10 10 PHE CA C 56.0300 0.0000 1 67 10 10 PHE CB C 42.8000 0.0000 1 68 10 10 PHE CD1 C 132.9000 0.0000 2 69 10 10 PHE CD2 C 132.9000 0.0000 1 70 10 10 PHE CE1 C 129.8300 0.0000 2 71 10 10 PHE CE2 C 129.8300 0.0000 1 72 10 10 PHE N N 122.1500 0.0000 1 73 11 11 VAL H H 9.7400 0.0000 1 74 11 11 VAL HA H 5.3500 0.0000 1 75 11 11 VAL HB H 1.7100 0.0000 1 76 11 11 VAL HG1 H 0.8000 0.0000 2 77 11 11 VAL HG2 H 0.8900 0.0000 2 78 11 11 VAL C C 173.7300 0.0000 1 79 11 11 VAL CA C 57.6100 0.0000 1 80 11 11 VAL CB C 34.9800 0.0000 1 81 11 11 VAL CG1 C 17.8600 0.0000 2 82 11 11 VAL CG2 C 20.8000 0.0000 2 83 11 11 VAL N N 119.0500 0.0000 1 84 12 12 ALA H H 9.0700 0.0000 1 85 12 12 ALA HA H 4.8100 0.0000 1 86 12 12 ALA HB H 1.8400 0.0000 1 87 12 12 ALA C C 179.5800 0.0000 1 88 12 12 ALA CA C 51.8300 0.0000 1 89 12 12 ALA CB C 20.5300 0.0000 1 90 12 12 ALA N N 126.4000 0.0000 1 91 13 13 LEU H H 9.4800 0.0000 1 92 13 13 LEU HA H 3.9300 0.0000 1 93 13 13 LEU HB2 H 0.8300 0.0000 2 94 13 13 LEU HB3 H 0.5700 0.0000 2 95 13 13 LEU HG H 1.3600 0.0000 1 96 13 13 LEU HD1 H 0.6000 0.0000 2 97 13 13 LEU HD2 H 0.5600 0.0000 2 98 13 13 LEU C C 175.0900 0.0000 1 99 13 13 LEU CA C 54.9700 0.0000 1 100 13 13 LEU CB C 42.0700 0.0000 1 101 13 13 LEU CG C 26.1400 0.0000 1 102 13 13 LEU CD1 C 24.6000 0.0000 2 103 13 13 LEU CD2 C 21.2000 0.0000 2 104 13 13 LEU N N 125.4900 0.0000 1 105 14 14 TYR H H 7.1400 0.0000 1 106 14 14 TYR HA H 4.8800 0.0000 1 107 14 14 TYR HB2 H 2.4700 0.0000 2 108 14 14 TYR HB3 H 3.3300 0.0000 2 109 14 14 TYR HD1 H 6.6400 0.0000 3 110 14 14 TYR HD2 H 6.6400 0.0000 3 111 14 14 TYR HE1 H 6.6000 0.0000 3 112 14 14 TYR HE2 H 6.6000 0.0000 3 113 14 14 TYR C C 173.7300 0.0000 1 114 14 14 TYR CA C 53.5800 0.0000 1 115 14 14 TYR CB C 42.2200 0.0000 1 116 14 14 TYR CD1 C 133.5000 0.0000 2 117 14 14 TYR CD2 C 133.5000 0.0000 2 118 14 14 TYR CE1 C 117.3000 0.0000 2 119 14 14 TYR CE2 C 117.3000 0.0000 2 120 14 14 TYR N N 111.8400 0.0000 1 121 15 15 ASP H H 8.3100 0.0000 1 122 15 15 ASP HA H 4.7900 0.0000 1 123 15 15 ASP HB2 H 2.6000 0.0000 2 124 15 15 ASP HB3 H 2.7500 0.0000 2 125 15 15 ASP C C 175.5000 0.0000 1 126 15 15 ASP CA C 54.0000 0.0000 1 127 15 15 ASP CB C 41.5400 0.0000 1 128 15 15 ASP N N 117.2800 0.0000 1 129 16 16 TYR H H 8.3500 0.0000 1 130 16 16 TYR HA H 4.4100 0.0000 1 131 16 16 TYR HB2 H 0.5600 0.0000 2 132 16 16 TYR HB3 H 2.2200 0.0000 2 133 16 16 TYR HD1 H 6.8300 0.0000 3 134 16 16 TYR HD2 H 6.8300 0.0000 3 135 16 16 TYR HE1 H 6.6500 0.0000 3 136 16 16 TYR HE2 H 6.6500 0.0000 3 137 16 16 TYR C C 173.3300 0.0000 1 138 16 16 TYR CA C 57.7300 0.0000 1 139 16 16 TYR CB C 41.6400 0.0000 1 140 16 16 TYR CD1 C 133.2000 0.0000 2 141 16 16 TYR CD2 C 133.2000 0.0000 2 142 16 16 TYR CE1 C 116.9200 0.0000 2 143 16 16 TYR CE2 C 116.9200 0.0000 2 144 16 16 TYR N N 120.2000 0.0000 1 145 17 17 GLU H H 7.2700 0.0000 1 146 17 17 GLU HA H 4.1700 0.0000 1 147 17 17 GLU HB2 H 1.5200 0.0000 2 148 17 17 GLU HB3 H 1.6100 0.0000 2 149 17 17 GLU HG2 H 2.0200 0.0000 2 150 17 17 GLU HG3 H 2.0400 0.0000 2 151 17 17 GLU C C 173.3000 0.0000 1 152 17 17 GLU CA C 53.3500 0.0000 1 153 17 17 GLU CB C 30.2800 0.0000 1 154 17 17 GLU CG C 35.0300 0.0000 1 155 17 17 GLU N N 128.0700 0.0000 1 156 18 18 ALA H H 8.1900 0.0000 1 157 18 18 ALA HA H 3.8400 0.0000 1 158 18 18 ALA HB H 1.2700 0.0000 1 159 18 18 ALA C C 178.6100 0.0000 1 160 18 18 ALA CA C 52.4900 0.0000 1 161 18 18 ALA CB C 19.5100 0.0000 1 162 18 18 ALA N N 125.8900 0.0000 1 163 19 19 ARG H H 9.7100 0.0000 1 164 19 19 ARG HA H 4.3400 0.0000 1 165 19 19 ARG HB2 H 1.7900 0.0000 2 166 19 19 ARG HB3 H 1.7900 0.0000 2 167 19 19 ARG HG2 H 1.6400 0.0000 2 168 19 19 ARG HG3 H 1.7600 0.0000 2 169 19 19 ARG HD2 H 3.1800 0.0000 2 170 19 19 ARG HD3 H 3.1800 0.0000 2 171 19 19 ARG C C 176.8600 0.0000 1 172 19 19 ARG CA C 56.0600 0.0000 1 173 19 19 ARG CB C 31.4500 0.0000 1 174 19 19 ARG CG C 25.9000 0.0000 1 175 19 19 ARG CD C 42.7100 0.0000 1 176 19 19 ARG N N 121.5000 0.0000 1 177 20 20 THR H H 8.5200 0.0000 1 178 20 20 THR HA H 4.7500 0.0000 1 179 20 20 THR HB H 4.3700 0.0000 1 180 20 20 THR HG2 H 1.0300 0.0000 1 181 20 20 THR C C 174.9100 0.0000 1 182 20 20 THR CA C 59.1100 0.0000 1 183 20 20 THR CB C 71.1600 0.0000 1 184 20 20 THR CG2 C 20.8000 0.0000 1 185 20 20 THR N N 112.3900 0.0000 1 186 21 21 GLU H H 8.7500 0.0000 1 187 21 21 GLU HA H 4.2700 0.0000 1 188 21 21 GLU HB2 H 1.9400 0.0000 2 189 21 21 GLU HB3 H 2.0900 0.0000 2 190 21 21 GLU HG2 H 2.2600 0.0000 2 191 21 21 GLU HG3 H 2.2600 0.0000 2 192 21 21 GLU C C 176.7000 0.0000 1 193 21 21 GLU CA C 57.4600 0.0000 1 194 21 21 GLU CB C 28.8800 0.0000 1 195 21 21 GLU CG C 35.6000 0.0000 1 196 21 21 GLU N N 118.2800 0.0000 1 197 22 22 ASP H H 8.0100 0.0000 1 198 22 22 ASP HA H 4.8100 0.0000 1 199 22 22 ASP HB2 H 2.4600 0.0000 2 200 22 22 ASP HB3 H 2.7200 0.0000 2 201 22 22 ASP C C 175.8800 0.0000 1 202 22 22 ASP CA C 54.0500 0.0000 1 203 22 22 ASP CB C 41.4600 0.0000 1 204 22 22 ASP N N 116.2800 0.0000 1 205 23 23 ASP H H 8.0700 0.0000 1 206 23 23 ASP HA H 5.4700 0.0000 1 207 23 23 ASP HB2 H 2.9300 0.0000 2 208 23 23 ASP HB3 H 2.9500 0.0000 2 209 23 23 ASP C C 175.8000 0.0000 1 210 23 23 ASP CA C 52.4000 0.0000 1 211 23 23 ASP CB C 41.7000 0.0000 1 212 23 23 ASP N N 119.8900 0.0000 1 213 24 24 LEU H H 8.2800 0.0000 1 214 24 24 LEU HA H 4.6900 0.0000 1 215 24 24 LEU HB2 H 1.4800 0.0000 2 216 24 24 LEU HB3 H 1.6900 0.0000 2 217 24 24 LEU HG H 1.4100 0.0000 1 218 24 24 LEU HD1 H 0.8400 0.0000 2 219 24 24 LEU HD2 H 0.8100 0.0000 2 220 24 24 LEU C C 176.6600 0.0000 1 221 24 24 LEU CA C 53.6000 0.0000 1 222 24 24 LEU CB C 43.1000 0.0000 1 223 24 24 LEU CG C 26.4000 0.0000 1 224 24 24 LEU CD1 C 25.0100 0.0000 2 225 24 24 LEU CD2 C 24.3300 0.0000 2 226 24 24 LEU N N 120.0800 0.0000 1 227 25 25 SER H H 8.0100 0.0000 1 228 25 25 SER HA H 4.8400 0.0000 1 229 25 25 SER HB2 H 3.8100 0.0000 2 230 25 25 SER HB3 H 4.0200 0.0000 2 231 25 25 SER C C 174.1500 0.0000 1 232 25 25 SER CA C 57.7000 0.0000 1 233 25 25 SER CB C 64.2700 0.0000 1 234 25 25 SER N N 114.3000 0.0000 1 235 26 26 PHE H H 8.8000 0.0000 1 236 26 26 PHE HA H 5.1400 0.0000 1 237 26 26 PHE HB2 H 3.5100 0.0000 2 238 26 26 PHE HB3 H 3.2100 0.0000 2 239 26 26 PHE HD1 H 7.0200 0.0000 3 240 26 26 PHE HD2 H 7.0200 0.0000 3 241 26 26 PHE HE1 H 7.3200 0.0000 3 242 26 26 PHE HE2 H 7.3200 0.0000 3 243 26 26 PHE C C 173.9800 0.0000 1 244 26 26 PHE CA C 55.9500 0.0000 1 245 26 26 PHE CB C 41.0100 0.0000 1 246 26 26 PHE CD1 C 131.8400 0.0000 2 247 26 26 PHE CD2 C 131.8400 0.0000 2 248 26 26 PHE CE1 C 131.9900 0.0000 2 249 26 26 PHE CE2 C 131.9900 0.0000 2 250 26 26 PHE N N 116.3000 0.0000 1 251 27 27 HIS H H 8.6500 0.0000 1 252 27 27 HIS HA H 5.4800 0.0000 1 253 27 27 HIS HB2 H 3.3800 0.0000 2 254 27 27 HIS HB3 H 3.1000 0.0000 2 255 27 27 HIS HD2 H 6.6400 0.0000 1 256 27 27 HIS C C 174.1200 0.0000 1 257 27 27 HIS CA C 53.1100 0.0000 1 258 27 27 HIS CB C 31.3700 0.0000 1 259 27 27 HIS N N 116.6000 0.0000 1 260 28 28 LYS H H 9.2200 0.0000 1 261 28 28 LYS HA H 3.5200 0.0000 1 262 28 28 LYS HB2 H 1.7100 0.0000 2 263 28 28 LYS HB3 H 1.6600 0.0000 2 264 28 28 LYS HG2 H 1.1800 0.0000 2 265 28 28 LYS HG3 H 1.1800 0.0000 2 266 28 28 LYS HD2 H 1.6100 0.0000 2 267 28 28 LYS HD3 H 1.6400 0.0000 2 268 28 28 LYS HE2 H 2.9200 0.0000 2 269 28 28 LYS HE3 H 2.9200 0.0000 2 270 28 28 LYS C C 174.7000 0.0000 1 271 28 28 LYS CA C 58.0900 0.0000 1 272 28 28 LYS CB C 32.0000 0.0000 1 273 28 28 LYS CG C 23.7000 0.0000 1 274 28 28 LYS CD C 28.7500 0.0000 1 275 28 28 LYS CE C 41.5000 0.0000 1 276 28 28 LYS N N 121.6300 0.0000 1 277 29 29 GLY H H 8.9500 0.0000 1 278 29 29 GLY HA2 H 4.4600 0.0000 2 279 29 29 GLY HA3 H 3.4300 0.0000 2 280 29 29 GLY CA C 44.4100 0.0000 1 281 29 29 GLY N N 114.6600 0.0000 1 282 30 30 GLU H H 8.2100 0.0000 1 283 30 30 GLU HA H 3.9600 0.0000 1 284 30 30 GLU HB2 H 2.3300 0.0000 2 285 30 30 GLU HB3 H 1.8800 0.0000 2 286 30 30 GLU HG2 H 2.2100 0.0000 2 287 30 30 GLU HG3 H 1.9100 0.0000 2 288 30 30 GLU C C 174.1100 0.0000 1 289 30 30 GLU CA C 57.8400 0.0000 1 290 30 30 GLU CB C 30.0800 0.0000 1 291 30 30 GLU CG C 35.7500 0.0000 1 292 30 30 GLU N N 124.5800 0.0000 1 293 31 31 LYS H H 8.1300 0.0000 1 294 31 31 LYS HA H 5.3700 0.0000 1 295 31 31 LYS HB2 H 1.7000 0.0000 2 296 31 31 LYS HB3 H 1.6800 0.0000 2 297 31 31 LYS HG2 H 1.1900 0.0000 2 298 31 31 LYS HG3 H 1.1900 0.0000 2 299 31 31 LYS HD2 H 1.5000 0.0000 2 300 31 31 LYS HD3 H 1.5200 0.0000 2 301 31 31 LYS HE2 H 2.8600 0.0000 2 302 31 31 LYS HE3 H 2.8600 0.0000 2 303 31 31 LYS C C 175.4800 0.0000 1 304 31 31 LYS CA C 54.1000 0.0000 1 305 31 31 LYS CB C 35.0400 0.0000 1 306 31 31 LYS CG C 25.1000 0.0000 1 307 31 31 LYS CD C 28.5500 0.0000 1 308 31 31 LYS CE C 41.5000 0.0000 1 309 31 31 LYS N N 120.8400 0.0000 1 310 32 32 PHE H H 9.1600 0.0000 1 311 32 32 PHE HA H 5.3800 0.0000 1 312 32 32 PHE HB2 H 2.2200 0.0000 2 313 32 32 PHE HB3 H 2.7700 0.0000 2 314 32 32 PHE HD1 H 6.6000 0.0000 3 315 32 32 PHE HD2 H 6.6000 0.0000 3 316 32 32 PHE HE1 H 6.4100 0.0000 3 317 32 32 PHE HE2 H 6.4100 0.0000 3 318 32 32 PHE C C 175.6600 0.0000 1 319 32 32 PHE CA C 56.5200 0.0000 1 320 32 32 PHE CB C 44.2500 0.0000 1 321 32 32 PHE CD1 C 130.6500 0.0000 2 322 32 32 PHE CD2 C 130.6500 0.0000 2 323 32 32 PHE CE1 C 128.5000 0.0000 2 324 32 32 PHE CE2 C 128.5000 0.0000 2 325 32 32 PHE N N 115.4500 0.0000 1 326 33 33 GLN H H 8.6600 0.0000 1 327 33 33 GLN HA H 4.9000 0.0000 1 328 33 33 GLN HB2 H 1.9100 0.0000 2 329 33 33 GLN HB3 H 1.9100 0.0000 2 330 33 33 GLN HG2 H 2.3000 0.0000 2 331 33 33 GLN HG3 H 2.1000 0.0000 2 332 33 33 GLN HE21 H 6.8800 0.0000 2 333 33 33 GLN HE22 H 7.4600 0.0000 2 334 33 33 GLN C C 175.6600 0.0000 1 335 33 33 GLN CA C 53.5700 0.0000 1 336 33 33 GLN CB C 29.7800 0.0000 1 337 33 33 GLN CG C 33.1000 0.0000 1 338 33 33 GLN N N 119.5700 0.0000 1 339 33 33 GLN NE2 N 111.4200 0.0000 1 340 34 34 ILE H H 9.4000 0.0000 1 341 34 34 ILE HA H 4.1100 0.0000 1 342 34 34 ILE HB H 1.8600 0.0000 1 343 34 34 ILE HG12 H 1.4100 0.0000 2 344 34 34 ILE HG13 H 0.7100 0.0000 2 345 34 34 ILE HG2 H 0.2800 0.0000 1 346 34 34 ILE HD1 H 0.3500 0.0000 1 347 34 34 ILE C C 175.6800 0.0000 1 348 34 34 ILE CA C 58.8000 0.0000 1 349 34 34 ILE CB C 34.0600 0.0000 1 350 34 34 ILE CG1 C 26.4000 0.0000 1 351 34 34 ILE CG2 C 17.1000 0.0000 1 352 34 34 ILE CD1 C 9.1500 0.0000 1 353 34 34 ILE N N 126.4100 0.0000 1 354 35 35 LEU H H 8.9500 0.0000 1 355 35 35 LEU HA H 4.2800 0.0000 1 356 35 35 LEU HB2 H 1.2100 0.0000 2 357 35 35 LEU HB3 H 1.4300 0.0000 2 358 35 35 LEU HG H 1.4700 0.0000 1 359 35 35 LEU HD1 H 0.7100 0.0000 2 360 35 35 LEU HD2 H 0.6500 0.0000 2 361 35 35 LEU C C 177.2500 0.0000 1 362 35 35 LEU CA C 55.1200 0.0000 1 363 35 35 LEU CB C 41.2500 0.0000 1 364 35 35 LEU CG C 26.7000 0.0000 1 365 35 35 LEU CD1 C 24.9600 0.0000 2 366 35 35 LEU CD2 C 21.5000 0.0000 2 367 35 35 LEU N N 128.5000 0.0000 1 368 36 36 ASN H H 7.6000 0.0000 1 369 36 36 ASN HB2 H 2.8100 0.0000 2 370 36 36 ASN HB3 H 2.7800 0.0000 2 371 36 36 ASN HD21 H 7.0400 0.0000 2 372 36 36 ASN HD22 H 7.9400 0.0000 2 373 36 36 ASN C C 174.3100 0.0000 1 374 36 36 ASN CA C 53.3400 0.0000 1 375 36 36 ASN CB C 39.5800 0.0000 1 376 36 36 ASN N N 114.9300 0.0000 1 377 36 36 ASN ND2 N 113.7400 0.0000 1 378 37 37 SER H H 8.8300 0.0000 1 379 37 37 SER HA H 4.0200 0.0000 1 380 37 37 SER HB2 H 2.2000 0.0000 2 381 37 37 SER HB3 H 2.9300 0.0000 2 382 37 37 SER C C 174.3100 0.0000 1 383 37 37 SER CA C 56.3000 0.0000 1 384 37 37 SER CB C 61.6000 0.0000 1 385 37 37 SER N N 121.1000 0.0000 1 386 38 38 SER H H 8.0400 0.0000 1 387 38 38 SER HA H 4.2200 0.0000 1 388 38 38 SER HB2 H 3.8600 0.0000 2 389 38 38 SER HB3 H 3.9200 0.0000 2 390 38 38 SER C C 174.9600 0.0000 1 391 38 38 SER CA C 60.0700 0.0000 1 392 38 38 SER CB C 63.4700 0.0000 1 393 38 38 SER N N 117.0000 0.0000 1 394 39 39 GLU H H 8.7000 0.0000 1 395 39 39 GLU HA H 4.5400 0.0000 1 396 39 39 GLU HB2 H 2.3100 0.0000 2 397 39 39 GLU HB3 H 2.1800 0.0000 2 398 39 39 GLU HG2 H 2.3700 0.0000 2 399 39 39 GLU HG3 H 2.2600 0.0000 2 400 39 39 GLU C C 176.6900 0.0000 1 401 39 39 GLU CA C 55.6000 0.0000 1 402 39 39 GLU CB C 29.3800 0.0000 1 403 39 39 GLU CG C 35.7500 0.0000 1 404 39 39 GLU N N 121.5000 0.0000 1 405 40 40 GLY H H 8.3100 0.0000 1 406 40 40 GLY HA2 H 3.9400 0.0000 2 407 40 40 GLY HA3 H 4.1400 0.0000 2 408 40 40 GLY C C 174.7000 0.0000 1 409 40 40 GLY CA C 44.8300 0.0000 1 410 40 40 GLY N N 107.7100 0.0000 1 411 41 41 ASP H H 8.5500 0.0000 1 412 41 41 ASP HA H 4.2600 0.0000 1 413 41 41 ASP HB2 H 2.3700 0.0000 2 414 41 41 ASP HB3 H 2.3600 0.0000 2 415 41 41 ASP C C 175.7700 0.0000 1 416 41 41 ASP CA C 55.0300 0.0000 1 417 41 41 ASP CB C 40.5400 0.0000 1 418 41 41 ASP N N 118.7900 0.0000 1 419 42 42 TRP H H 7.6700 0.0000 1 420 42 42 TRP HA H 5.0200 0.0000 1 421 42 42 TRP HB2 H 2.8400 0.0000 2 422 42 42 TRP HB3 H 2.8900 0.0000 2 423 42 42 TRP HD1 H 7.0400 0.0000 1 424 42 42 TRP HE1 H 9.9500 0.0000 1 425 42 42 TRP HE3 H 6.9100 0.0000 1 426 42 42 TRP HZ2 H 7.3400 0.0000 1 427 42 42 TRP HZ3 H 6.7100 0.0000 1 428 42 42 TRP HH2 H 7.2300 0.0000 1 429 42 42 TRP C C 174.9100 0.0000 1 430 42 42 TRP CA C 55.4700 0.0000 1 431 42 42 TRP CB C 30.8600 0.0000 1 432 42 42 TRP CD1 C 127.1700 0.0000 1 433 42 42 TRP CE3 C 119.5800 0.0000 1 434 42 42 TRP CZ2 C 113.9500 0.0000 1 435 42 42 TRP CZ3 C 120.9600 0.0000 1 436 42 42 TRP CH2 C 124.0500 0.0000 1 437 42 42 TRP N N 120.7200 0.0000 1 438 42 42 TRP NE1 N 128.5900 0.0000 1 439 43 43 TRP H H 9.1700 0.0000 1 440 43 43 TRP HA H 5.3800 0.0000 1 441 43 43 TRP HB2 H 2.6800 0.0000 2 442 43 43 TRP HB3 H 2.8400 0.0000 2 443 43 43 TRP HD1 H 7.0600 0.0000 1 444 43 43 TRP HE1 H 9.6100 0.0000 1 445 43 43 TRP HE3 H 6.6100 0.0000 1 446 43 43 TRP HZ2 H 7.4100 0.0000 1 447 43 43 TRP HZ3 H 5.7300 0.0000 1 448 43 43 TRP HH2 H 7.0000 0.0000 1 449 43 43 TRP C C 175.2800 0.0000 1 450 43 43 TRP CA C 52.4200 0.0000 1 451 43 43 TRP CB C 31.5100 0.0000 1 452 43 43 TRP CD1 C 123.6000 0.0000 1 453 43 43 TRP CE3 C 118.3000 0.0000 1 454 43 43 TRP CZ2 C 114.1900 0.0000 1 455 43 43 TRP CZ3 C 120.9900 0.0000 1 456 43 43 TRP CH2 C 123.8000 0.0000 1 457 43 43 TRP N N 124.1600 0.0000 1 458 43 43 TRP NE1 N 128.3300 0.0000 1 459 44 44 GLU H H 8.7000 0.0000 1 460 44 44 GLU HA H 4.1100 0.0000 1 461 44 44 GLU HB2 H 1.7100 0.0000 2 462 44 44 GLU HB3 H 1.8600 0.0000 2 463 44 44 GLU HG2 H 1.5300 0.0000 2 464 44 44 GLU HG3 H 1.7300 0.0000 2 465 44 44 GLU C C 175.3300 0.0000 1 466 44 44 GLU CA C 55.7600 0.0000 1 467 44 44 GLU CB C 30.5000 0.0000 1 468 44 44 GLU CG C 32.8000 0.0000 1 469 44 44 GLU N N 123.5700 0.0000 1 470 45 45 ALA H H 9.4000 0.0000 1 471 45 45 ALA HA H 5.1100 0.0000 1 472 45 45 ALA HB H 1.0800 0.0000 1 473 45 45 ALA CA C 50.5500 0.0000 1 474 45 45 ALA CB C 25.2000 0.0000 1 475 45 45 ALA N N 131.3000 0.0000 1 476 46 46 ARG H H 8.9200 0.0000 1 477 46 46 ARG HA H 5.3200 0.0000 1 478 46 46 ARG HB2 H 1.7100 0.0000 2 479 46 46 ARG HB3 H 1.5100 0.0000 2 480 46 46 ARG HG2 H 1.2800 0.0000 2 481 46 46 ARG HG3 H 1.2800 0.0000 2 482 46 46 ARG HD2 H 3.1500 0.0000 2 483 46 46 ARG HD3 H 3.1700 0.0000 2 484 46 46 ARG C C 176.7400 0.0000 1 485 46 46 ARG CA C 53.0000 0.0000 1 486 46 46 ARG CB C 33.1000 0.0000 1 487 46 46 ARG CG C 26.0000 0.0000 1 488 46 46 ARG CD C 42.5500 0.0000 1 489 46 46 ARG N N 118.6000 0.0000 1 490 47 47 SER H H 8.7500 0.0000 1 491 47 47 SER HA H 4.4100 0.0000 1 492 47 47 SER HB2 H 4.0900 0.0000 2 493 47 47 SER HB3 H 4.0500 0.0000 2 494 47 47 SER C C 177.7300 0.0000 1 495 47 47 SER CA C 56.9200 0.0000 1 496 47 47 SER CB C 62.8000 0.0000 1 497 47 47 SER N N 119.8200 0.0000 1 498 48 48 LEU H H 9.0300 0.0000 1 499 48 48 LEU HA H 4.2500 0.0000 1 500 48 48 LEU HB2 H 1.6100 0.0000 2 501 48 48 LEU HB3 H 1.4700 0.0000 2 502 48 48 LEU HG H 1.5800 0.0000 1 503 48 48 LEU HD1 H 0.8100 0.0000 2 504 48 48 LEU HD2 H 0.7900 0.0000 2 505 48 48 LEU C C 178.4200 0.0000 1 506 48 48 LEU CA C 56.3600 0.0000 1 507 48 48 LEU CB C 39.5700 0.0000 1 508 48 48 LEU CG C 27.7000 0.0000 1 509 48 48 LEU CD1 C 24.8000 0.0000 2 510 48 48 LEU CD2 C 23.0000 0.0000 2 511 48 48 LEU N N 130.7700 0.0000 1 512 49 49 THR H H 8.4500 0.0000 1 513 49 49 THR HA H 4.1700 0.0000 1 514 49 49 THR HB H 3.9600 0.0000 1 515 49 49 THR HG2 H 1.2300 0.0000 1 516 49 49 THR C C 175.8900 0.0000 1 517 49 49 THR CA C 65.3700 0.0000 1 518 49 49 THR CB C 68.8600 0.0000 1 519 49 49 THR CG2 C 21.3000 0.0000 1 520 49 49 THR N N 116.3000 0.0000 1 521 50 50 THR H H 8.1000 0.0000 1 522 50 50 THR HA H 4.4400 0.0000 1 523 50 50 THR HB H 4.4500 0.0000 1 524 50 50 THR HG2 H 1.2600 0.0000 1 525 50 50 THR C C 176.6500 0.0000 1 526 50 50 THR CA C 61.2000 0.0000 1 527 50 50 THR CB C 70.5500 0.0000 1 528 50 50 THR CG2 C 21.3000 0.0000 1 529 50 50 THR N N 108.2400 0.0000 1 530 51 51 GLY H H 7.9600 0.0000 1 531 51 51 GLY HA2 H 4.2200 0.0000 2 532 51 51 GLY HA3 H 3.8000 0.0000 2 533 51 51 GLY C C 173.9400 0.0000 1 534 51 51 GLY CA C 45.1000 0.0000 1 535 51 51 GLY N N 111.0600 0.0000 1 536 52 52 GLU H H 8.0700 0.0000 1 537 52 52 GLU HA H 4.3400 0.0000 1 538 52 52 GLU HB2 H 1.9500 0.0000 2 539 52 52 GLU HB3 H 1.8800 0.0000 2 540 52 52 GLU HG2 H 2.1200 0.0000 2 541 52 52 GLU HG3 H 2.3400 0.0000 2 542 52 52 GLU C C 175.0900 0.0000 1 543 52 52 GLU CA C 56.0600 0.0000 1 544 52 52 GLU CB C 30.2700 0.0000 1 545 52 52 GLU CG C 33.2000 0.0000 1 546 52 52 GLU N N 120.7900 0.0000 1 547 53 53 THR H H 8.3700 0.0000 1 548 53 53 THR HA H 5.7100 0.0000 1 549 53 53 THR HB H 3.9600 0.0000 1 550 53 53 THR HG2 H 1.0500 0.0000 1 551 53 53 THR C C 174.5800 0.0000 1 552 53 53 THR CA C 59.5000 0.0000 1 553 53 53 THR CB C 70.6700 0.0000 1 554 53 53 THR CG2 C 20.2000 0.0000 1 555 53 53 THR N N 112.8600 0.0000 1 556 54 54 GLY H H 8.8100 0.0000 1 557 54 54 GLY HA2 H 4.1500 0.0000 2 558 54 54 GLY HA3 H 3.9600 0.0000 2 559 54 54 GLY C C 171.0000 0.0000 1 560 54 54 GLY CA C 44.8500 0.0000 1 561 54 54 GLY N N 110.9300 0.0000 1 562 55 55 TYR H H 8.6800 0.0000 1 563 55 55 TYR HA H 5.4200 0.0000 1 564 55 55 TYR HB2 H 2.7800 0.0000 2 565 55 55 TYR HB3 H 2.8400 0.0000 2 566 55 55 TYR HD1 H 6.9200 0.0000 3 567 55 55 TYR HD2 H 6.9200 0.0000 3 568 55 55 TYR HE1 H 6.7700 0.0000 3 569 55 55 TYR HE2 H 6.7700 0.0000 3 570 55 55 TYR C C 176.0700 0.0000 1 571 55 55 TYR CA C 58.0300 0.0000 1 572 55 55 TYR CB C 39.6500 0.0000 1 573 55 55 TYR CD1 C 131.6600 0.0000 2 574 55 55 TYR CD2 C 131.6600 0.0000 2 575 55 55 TYR CE1 C 117.8000 0.0000 2 576 55 55 TYR CE2 C 117.8000 0.0000 2 577 55 55 TYR N N 118.8000 0.0000 1 578 56 56 ILE H H 9.2500 0.0000 1 579 56 56 ILE HA H 4.9800 0.0000 1 580 56 56 ILE HB H 1.1700 0.0000 1 581 56 56 ILE HG12 H 0.9200 0.0000 2 582 56 56 ILE HG13 H 0.5800 0.0000 2 583 56 56 ILE HG2 H 0.4300 0.0000 1 584 56 56 ILE HD1 H -0.4200 0.0000 1 585 56 56 ILE CA C 56.8700 0.0000 1 586 56 56 ILE CB C 39.3700 0.0000 1 587 56 56 ILE CG1 C 23.2000 0.0000 1 588 56 56 ILE CG2 C 19.0100 0.0000 1 589 56 56 ILE CD1 C 13.1300 0.0000 1 590 56 56 ILE N N 112.3500 0.0000 1 591 57 57 PRO HA H 3.7100 0.0000 1 592 57 57 PRO HB2 H 1.0300 0.0000 2 593 57 57 PRO HB3 H 1.2900 0.0000 2 594 57 57 PRO HG2 H 0.5100 0.0000 2 595 57 57 PRO HG3 H 0.7000 0.0000 2 596 57 57 PRO HD2 H 3.0200 0.0000 2 597 57 57 PRO HD3 H 2.8600 0.0000 2 598 57 57 PRO C C 178.8000 0.0000 1 599 57 57 PRO CA C 60.4000 0.0000 1 600 57 57 PRO CB C 29.2400 0.0000 1 601 57 57 PRO CG C 25.7000 0.0000 1 602 57 57 PRO CD C 49.1000 0.0000 1 603 58 58 SER H H 7.6500 0.0000 1 604 58 58 SER HA H 2.4800 0.0000 1 605 58 58 SER HB2 H 1.8800 0.0000 2 606 58 58 SER HB3 H 1.4700 0.0000 2 607 58 58 SER C C 174.6700 0.0000 1 608 58 58 SER CA C 59.8300 0.0000 1 609 58 58 SER CB C 60.1500 0.0000 1 610 58 58 SER N N 121.5000 0.0000 1 611 59 59 ASN H H 8.0700 0.0000 1 612 59 59 ASN HA H 4.5800 0.0000 1 613 59 59 ASN HB2 H 2.8800 0.0000 2 614 59 59 ASN HB3 H 2.6400 0.0000 2 615 59 59 ASN HD21 H 6.6500 0.0000 2 616 59 59 ASN HD22 H 7.4600 0.0000 2 617 59 59 ASN C C 175.6600 0.0000 1 618 59 59 ASN CA C 52.9500 0.0000 1 619 59 59 ASN CB C 35.8800 0.0000 1 620 59 59 ASN N N 114.9600 0.0000 1 621 59 59 ASN ND2 N 111.8600 0.0000 1 622 60 60 TYR H H 7.8200 0.0000 1 623 60 60 TYR HA H 4.6800 0.0000 1 624 60 60 TYR HB2 H 3.5000 0.0000 2 625 60 60 TYR HB3 H 3.2400 0.0000 2 626 60 60 TYR HD1 H 7.0900 0.0000 3 627 60 60 TYR HD2 H 7.0900 0.0000 3 628 60 60 TYR HE1 H 6.9200 0.0000 3 629 60 60 TYR HE2 H 6.9200 0.0000 3 630 60 60 TYR C C 174.9000 0.0000 1 631 60 60 TYR CA C 58.0400 0.0000 1 632 60 60 TYR CB C 38.6400 0.0000 1 633 60 60 TYR CD1 C 131.5000 0.0000 2 634 60 60 TYR CD2 C 131.5000 0.0000 2 635 60 60 TYR CE1 C 118.0200 0.0000 2 636 60 60 TYR CE2 C 118.0200 0.0000 2 637 60 60 TYR N N 119.2100 0.0000 1 638 61 61 VAL H H 7.1400 0.0000 1 639 61 61 VAL HA H 5.6000 0.0000 1 640 61 61 VAL HB H 2.0700 0.0000 1 641 61 61 VAL HG1 H 0.3100 0.0000 2 642 61 61 VAL HG2 H 0.5100 0.0000 2 643 61 61 VAL C C 174.1000 0.0000 1 644 61 61 VAL CA C 57.4000 0.0000 1 645 61 61 VAL CB C 36.3400 0.0000 1 646 61 61 VAL CG1 C 20.8500 0.0000 2 647 61 61 VAL CG2 C 17.8000 0.0000 2 648 61 61 VAL N N 108.8600 0.0000 1 649 62 62 ALA H H 8.7300 0.0000 1 650 62 62 ALA HA H 5.0400 0.0000 1 651 62 62 ALA HB H 1.2300 0.0000 1 652 62 62 ALA CA C 49.3200 0.0000 1 653 62 62 ALA CB C 21.1400 0.0000 1 654 62 62 ALA N N 121.2400 0.0000 1 655 63 63 PRO HA H 3.5600 0.0000 1 656 63 63 PRO HB2 H 1.8000 0.0000 2 657 63 63 PRO HB3 H 1.9400 0.0000 2 658 63 63 PRO HG2 H 1.7100 0.0000 1 659 63 63 PRO HG3 H 2.0000 0.0000 1 660 63 63 PRO HD2 H 3.5300 0.0000 1 661 63 63 PRO HD3 H 3.8500 0.0000 1 662 63 63 PRO C C 177.8200 0.0000 1 663 63 63 PRO CA C 62.3200 0.0000 1 664 63 63 PRO CB C 31.2000 0.0000 1 665 63 63 PRO CG C 26.7000 0.0000 1 666 63 63 PRO CD C 49.4900 0.0000 1 667 64 64 VAL H H 8.1000 0.0000 1 668 64 64 VAL HA H 3.6600 0.0000 1 669 64 64 VAL HB H 1.7900 0.0000 1 670 64 64 VAL HG1 H 0.7900 0.0000 2 671 64 64 VAL HG2 H 0.7800 0.0000 2 672 64 64 VAL C C 176.0300 0.0000 1 673 64 64 VAL CA C 63.4000 0.0000 1 674 64 64 VAL CB C 31.4400 0.0000 1 675 64 64 VAL CG1 C 20.8300 0.0000 2 676 64 64 VAL CG2 C 20.8300 0.0000 2 677 64 64 VAL N N 121.4600 0.0000 1 678 65 65 ASP H H 8.3500 0.0000 1 679 65 65 ASP HA H 4.5000 0.0000 1 680 65 65 ASP HB2 H 2.6800 0.0000 2 681 65 65 ASP HB3 H 2.7300 0.0000 2 682 65 65 ASP C C 175.6900 0.0000 1 683 65 65 ASP CA C 54.0000 0.0000 1 684 65 65 ASP CB C 39.5000 0.0000 1 685 65 65 ASP N N 120.2200 0.0000 1 686 66 66 SER H H 7.8100 0.0000 1 687 66 66 SER HA H 4.4000 0.0000 1 688 66 66 SER HB2 H 3.7400 0.0000 2 689 66 66 SER HB3 H 4.0100 0.0000 2 690 66 66 SER C C 176.4700 0.0000 1 691 66 66 SER CA C 57.7000 0.0000 1 692 66 66 SER CB C 64.3400 0.0000 1 693 66 66 SER N N 115.0100 0.0000 1 694 67 67 ILE H H 8.4900 0.0000 1 695 67 67 ILE HA H 3.7100 0.0000 1 696 67 67 ILE HB H 1.4400 0.0000 1 697 67 67 ILE HG12 H 0.7600 0.0000 2 698 67 67 ILE HG13 H 0.7600 0.0000 2 699 67 67 ILE HG2 H 0.5500 0.0000 1 700 67 67 ILE HD1 H 0.4900 0.0000 1 701 67 67 ILE C C 175.9000 0.0000 1 702 67 67 ILE CA C 62.8900 0.0000 1 703 67 67 ILE CB C 37.1600 0.0000 1 704 67 67 ILE CG1 C 26.0000 0.0000 1 705 67 67 ILE CG2 C 17.1700 0.0000 1 706 67 67 ILE CD1 C 13.6000 0.0000 1 707 67 67 ILE N N 121.9000 0.0000 1 708 68 68 GLN H H 7.8000 0.0000 1 709 68 68 GLN HA H 3.7600 0.0000 1 710 68 68 GLN HB2 H 1.8900 0.0000 2 711 68 68 GLN HB3 H 1.9300 0.0000 2 712 68 68 GLN HG2 H 2.2700 0.0000 2 713 68 68 GLN HG3 H 2.2700 0.0000 2 714 68 68 GLN HE21 H 6.9000 0.0000 2 715 68 68 GLN HE22 H 7.5700 0.0000 2 716 68 68 GLN C C 176.0500 0.0000 1 717 68 68 GLN CA C 57.3200 0.0000 1 718 68 68 GLN CB C 27.3200 0.0000 1 719 68 68 GLN CG C 33.8500 0.0000 1 720 68 68 GLN N N 117.0900 0.0000 1 721 68 68 GLN NE2 N 111.6000 0.0000 1 722 69 69 ALA H H 7.3400 0.0000 1 723 69 69 ALA HA H 4.0100 0.0000 1 724 69 69 ALA HB H 1.1800 0.0000 1 725 69 69 ALA C C 177.7300 0.0000 1 726 69 69 ALA CA C 51.2800 0.0000 1 727 69 69 ALA CB C 18.6100 0.0000 1 728 69 69 ALA N N 118.9400 0.0000 1 729 70 70 GLU H H 7.3200 0.0000 1 730 70 70 GLU HA H 3.8800 0.0000 1 731 70 70 GLU HB2 H 1.9100 0.0000 2 732 70 70 GLU HB3 H 1.9100 0.0000 2 733 70 70 GLU HG2 H 1.9300 0.0000 2 734 70 70 GLU HG3 H 1.9300 0.0000 2 735 70 70 GLU C C 179.0000 0.0000 1 736 70 70 GLU CA C 54.9600 0.0000 1 737 70 70 GLU CB C 27.0800 0.0000 1 738 70 70 GLU CG C 34.0000 0.0000 1 739 70 70 GLU N N 118.3300 0.0000 1 740 71 71 GLU H H 9.1500 0.0000 1 741 71 71 GLU HA H 3.8600 0.0000 1 742 71 71 GLU HB2 H 1.8500 0.0000 2 743 71 71 GLU HB3 H 1.9300 0.0000 2 744 71 71 GLU HG2 H 2.2400 0.0000 2 745 71 71 GLU HG3 H 2.2900 0.0000 2 746 71 71 GLU C C 176.2500 0.0000 1 747 71 71 GLU CA C 58.2300 0.0000 1 748 71 71 GLU CB C 29.3000 0.0000 1 749 71 71 GLU CG C 35.7000 0.0000 1 750 71 71 GLU N N 122.7900 0.0000 1 751 72 72 TRP H H 6.1900 0.0000 1 752 72 72 TRP HA H 4.5800 0.0000 1 753 72 72 TRP HB2 H 2.6300 0.0000 2 754 72 72 TRP HB3 H 3.6300 0.0000 2 755 72 72 TRP HD1 H 7.5100 0.0000 1 756 72 72 TRP HE1 H 10.8700 0.0000 1 757 72 72 TRP HE3 H 7.3200 0.0000 1 758 72 72 TRP HZ2 H 7.2500 0.0000 1 759 72 72 TRP HZ3 H 6.6900 0.0000 1 760 72 72 TRP HH2 H 6.6200 0.0000 1 761 72 72 TRP C C 175.4900 0.0000 1 762 72 72 TRP CA C 53.0600 0.0000 1 763 72 72 TRP CB C 30.9300 0.0000 1 764 72 72 TRP CD1 C 129.5700 0.0000 1 765 72 72 TRP CE3 C 121.7200 0.0000 1 766 72 72 TRP CZ2 C 114.2300 0.0000 1 767 72 72 TRP CZ3 C 120.6000 0.0000 1 768 72 72 TRP CH2 C 123.2000 0.0000 1 769 72 72 TRP N N 107.0600 0.0000 1 770 72 72 TRP NE1 N 133.6600 0.0000 1 771 73 73 TYR H H 7.4500 0.0000 1 772 73 73 TYR HA H 5.1800 0.0000 1 773 73 73 TYR HB2 H 2.4100 0.0000 2 774 73 73 TYR HB3 H 2.8500 0.0000 2 775 73 73 TYR HD1 H 6.9500 0.0000 3 776 73 73 TYR HD2 H 6.9500 0.0000 3 777 73 73 TYR HE1 H 6.7800 0.0000 3 778 73 73 TYR HE2 H 6.7800 0.0000 3 779 73 73 TYR C C 175.6700 0.0000 1 780 73 73 TYR CA C 58.6600 0.0000 1 781 73 73 TYR CB C 38.0100 0.0000 1 782 73 73 TYR CD1 C 132.7000 0.0000 2 783 73 73 TYR CD2 C 132.7000 0.0000 2 784 73 73 TYR CE1 C 117.7600 0.0000 2 785 73 73 TYR CE2 C 117.7600 0.0000 2 786 73 73 TYR N N 122.2000 0.0000 1 787 74 74 PHE H H 9.2500 0.0000 1 788 74 74 PHE HA H 4.4100 0.0000 1 789 74 74 PHE HB2 H 2.5900 0.0000 2 790 74 74 PHE HB3 H 3.2200 0.0000 2 791 74 74 PHE HD1 H 7.2900 0.0000 3 792 74 74 PHE HD2 H 7.2900 0.0000 3 793 74 74 PHE HE1 H 7.2900 0.0000 3 794 74 74 PHE HE2 H 7.2900 0.0000 3 795 74 74 PHE C C 175.4800 0.0000 1 796 74 74 PHE CA C 57.0100 0.0000 1 797 74 74 PHE CB C 39.5000 0.0000 1 798 74 74 PHE CD1 C 131.2200 0.0000 2 799 74 74 PHE CD2 C 131.2200 0.0000 2 800 74 74 PHE CE1 C 129.5000 0.0000 2 801 74 74 PHE CE2 C 129.5000 0.0000 2 802 74 74 PHE N N 129.1000 0.0000 1 803 75 75 GLY H H 5.4100 0.0000 1 804 75 75 GLY HA2 H 3.5300 0.0000 2 805 75 75 GLY HA3 H 3.7600 0.0000 2 806 75 75 GLY C C 173.7200 0.0000 1 807 75 75 GLY CA C 46.8200 0.0000 1 808 75 75 GLY N N 104.2200 0.0000 1 809 76 76 LYS H H 8.6400 0.0000 1 810 76 76 LYS HA H 4.2300 0.0000 1 811 76 76 LYS HB2 H 1.8400 0.0000 2 812 76 76 LYS HB3 H 1.6400 0.0000 2 813 76 76 LYS HG2 H 1.2400 0.0000 2 814 76 76 LYS HG3 H 1.3600 0.0000 2 815 76 76 LYS HD2 H 1.6400 0.0000 2 816 76 76 LYS HD3 H 1.6400 0.0000 2 817 76 76 LYS HE2 H 3.0000 0.0000 2 818 76 76 LYS HE3 H 3.0300 0.0000 2 819 76 76 LYS C C 174.5000 0.0000 1 820 76 76 LYS CA C 56.4000 0.0000 1 821 76 76 LYS CB C 30.3000 0.0000 1 822 76 76 LYS CG C 24.1000 0.0000 1 823 76 76 LYS CD C 29.0100 0.0000 1 824 76 76 LYS CE C 42.8000 0.0000 1 825 76 76 LYS N N 126.9100 0.0000 1 826 77 77 LEU H H 7.6200 0.0000 1 827 77 77 LEU HA H 4.3900 0.0000 1 828 77 77 LEU HB2 H 1.4700 0.0000 2 829 77 77 LEU HB3 H 1.4600 0.0000 2 830 77 77 LEU HG H 1.7300 0.0000 1 831 77 77 LEU HD1 H 0.6850 0.0000 2 832 77 77 LEU HD2 H 1.0200 0.0000 2 833 77 77 LEU C C 175.5000 0.0000 1 834 77 77 LEU CA C 54.1800 0.0000 1 835 77 77 LEU CB C 43.8000 0.0000 1 836 77 77 LEU CG C 26.0000 0.0000 1 837 77 77 LEU CD1 C 26.5200 0.0000 2 838 77 77 LEU CD2 C 23.6800 0.0000 2 839 77 77 LEU N N 128.9800 0.0000 1 840 78 78 GLY H H 9.0900 0.0000 1 841 78 78 GLY HA2 H 3.8900 0.0000 2 842 78 78 GLY HA3 H 3.9400 0.0000 2 843 78 78 GLY C C 173.1600 0.0000 1 844 78 78 GLY CA C 44.5700 0.0000 1 845 78 78 GLY N N 114.2700 0.0000 1 846 79 79 ARG H H 8.5100 0.0000 1 847 79 79 ARG HA H 3.3800 0.0000 1 848 79 79 ARG HB2 H 1.6400 0.0000 2 849 79 79 ARG HB3 H 1.7600 0.0000 2 850 79 79 ARG HG3 H 1.0000 0.0000 2 851 79 79 ARG HD2 H 2.8600 0.0000 2 852 79 79 ARG HD3 H 2.8900 0.0000 2 853 79 79 ARG C C 178.2100 0.0000 1 854 79 79 ARG CA C 60.0800 0.0000 1 855 79 79 ARG CB C 30.3000 0.0000 1 856 79 79 ARG CG C 26.9000 0.0000 1 857 79 79 ARG CD C 42.6000 0.0000 1 858 79 79 ARG N N 121.9600 0.0000 1 859 80 80 LYS H H 8.6000 0.0000 1 860 80 80 LYS HA H 3.9600 0.0000 1 861 80 80 LYS HB2 H 1.7500 0.0000 1 862 80 80 LYS HB3 H 1.7500 0.0000 1 863 80 80 LYS HG2 H 1.3500 0.0000 1 864 80 80 LYS HG3 H 1.4500 0.0000 1 865 80 80 LYS HD2 H 1.6300 0.0000 1 866 80 80 LYS HD3 H 1.6300 0.0000 1 867 80 80 LYS HE2 H 2.9300 0.0000 2 868 80 80 LYS HE3 H 2.9500 0.0000 2 869 80 80 LYS C C 179.8700 0.0000 1 870 80 80 LYS CA C 58.8000 0.0000 1 871 80 80 LYS CB C 30.3100 0.0000 1 872 80 80 LYS CG C 24.1000 0.0000 1 873 80 80 LYS CD C 28.3000 0.0000 1 874 80 80 LYS CE C 41.5000 0.0000 1 875 80 80 LYS N N 117.2500 0.0000 1 876 81 81 ASP H H 8.1300 0.0000 1 877 81 81 ASP HA H 4.4000 0.0000 1 878 81 81 ASP HB2 H 2.4500 0.0000 2 879 81 81 ASP HB3 H 2.6000 0.0000 2 880 81 81 ASP C C 178.8000 0.0000 1 881 81 81 ASP CA C 56.9100 0.0000 1 882 81 81 ASP CB C 39.8000 0.0000 1 883 81 81 ASP N N 120.3900 0.0000 1 884 82 82 ALA H H 8.5500 0.0000 1 885 82 82 ALA HA H 3.7900 0.0000 1 886 82 82 ALA HB H 1.3600 0.0000 1 887 82 82 ALA C C 179.2000 0.0000 1 888 82 82 ALA CA C 54.7600 0.0000 1 889 82 82 ALA CB C 17.6600 0.0000 1 890 82 82 ALA N N 122.3000 0.0000 1 891 83 83 GLU H H 8.0200 0.0000 1 892 83 83 GLU HA H 3.7800 0.0000 1 893 83 83 GLU HB2 H 1.9000 0.0000 2 894 83 83 GLU HB3 H 2.3000 0.0000 2 895 83 83 GLU HG2 H 1.9800 0.0000 2 896 83 83 GLU HG3 H 3.0000 0.0000 2 897 83 83 GLU C C 177.2600 0.0000 1 898 83 83 GLU CA C 59.9100 0.0000 1 899 83 83 GLU CB C 27.5000 0.0000 1 900 83 83 GLU CG C 36.1000 0.0000 1 901 83 83 GLU N N 115.9800 0.0000 1 902 84 84 ARG H H 7.7900 0.0000 1 903 84 84 ARG HA H 3.8600 0.0000 1 904 84 84 ARG HB2 H 1.9000 0.0000 2 905 84 84 ARG HB3 H 1.9200 0.0000 2 906 84 84 ARG HG2 H 1.5800 0.0000 1 907 84 84 ARG HG3 H 1.7100 0.0000 1 908 84 84 ARG HD2 H 3.2100 0.0000 1 909 84 84 ARG HD3 H 3.2100 0.0000 1 910 84 84 ARG C C 179.4000 0.0000 1 911 84 84 ARG CA C 58.5100 0.0000 1 912 84 84 ARG CB C 29.0600 0.0000 1 913 84 84 ARG CG C 26.8000 0.0000 1 914 84 84 ARG CD C 42.8000 0.0000 1 915 84 84 ARG N N 116.9000 0.0000 1 916 85 85 GLN H H 7.7800 0.0000 1 917 85 85 GLN HA H 3.8500 0.0000 1 918 85 85 GLN HB2 H 1.8900 0.0000 2 919 85 85 GLN HB3 H 1.8900 0.0000 2 920 85 85 GLN HG2 H 2.2300 0.0000 2 921 85 85 GLN HG3 H 2.2900 0.0000 2 922 85 85 GLN HE21 H 6.6500 0.0000 2 923 85 85 GLN HE22 H 7.0700 0.0000 2 924 85 85 GLN C C 179.4000 0.0000 1 925 85 85 GLN CA C 58.3400 0.0000 1 926 85 85 GLN CB C 27.3000 0.0000 1 927 85 85 GLN CG C 33.4000 0.0000 1 928 85 85 GLN N N 116.9000 0.0000 1 929 85 85 GLN NE2 N 110.4200 0.0000 1 930 86 86 LEU H H 8.1900 0.0000 1 931 86 86 LEU HA H 3.8200 0.0000 1 932 86 86 LEU HB2 H 1.8200 0.0000 2 933 86 86 LEU HB3 H 0.8800 0.0000 2 934 86 86 LEU HG H 1.5300 0.0000 1 935 86 86 LEU HD1 H 0.4900 0.0000 2 936 86 86 LEU HD2 H 0.4700 0.0000 2 937 86 86 LEU C C 179.4800 0.0000 1 938 86 86 LEU CA C 57.4300 0.0000 1 939 86 86 LEU CB C 42.3900 0.0000 1 940 86 86 LEU CD1 C 23.1500 0.0000 2 941 86 86 LEU CD2 C 26.6000 0.0000 2 942 86 86 LEU N N 119.0400 0.0000 1 943 87 87 LEU H H 8.1000 0.0000 1 944 87 87 LEU HA H 4.2400 0.0000 1 945 87 87 LEU HB2 H 1.7400 0.0000 2 946 87 87 LEU HB3 H 1.6000 0.0000 2 947 87 87 LEU HG H 1.5200 0.0000 1 948 87 87 LEU HD1 H 0.8100 0.0000 2 949 87 87 LEU HD2 H 0.5200 0.0000 2 950 87 87 LEU C C 175.7500 0.0000 1 951 87 87 LEU CA C 55.0300 0.0000 1 952 87 87 LEU CB C 38.9300 0.0000 1 953 87 87 LEU CG C 25.9000 0.0000 1 954 87 87 LEU CD1 C 24.8000 0.0000 2 955 87 87 LEU CD2 C 20.8000 0.0000 2 956 87 87 LEU N N 117.7400 0.0000 1 957 88 88 SER H H 7.0500 0.0000 1 958 88 88 SER HA H 4.2900 0.0000 1 959 88 88 SER HB2 H 3.8500 0.0000 2 960 88 88 SER HB3 H 3.8500 0.0000 2 961 88 88 SER CA C 59.3700 0.0000 1 962 88 88 SER CB C 63.9800 0.0000 1 963 88 88 SER N N 116.2000 0.0000 1 964 89 89 PHE H H 8.5300 0.0000 1 965 89 89 PHE HA H 4.3100 0.0000 1 966 89 89 PHE HB2 H 2.9200 0.0000 2 967 89 89 PHE HB3 H 3.1900 0.0000 2 968 89 89 PHE HD1 H 7.2300 0.0000 3 969 89 89 PHE HD2 H 7.2300 0.0000 3 970 89 89 PHE HE1 H 7.3500 0.0000 3 971 89 89 PHE HE2 H 7.3400 0.0000 3 972 89 89 PHE C C 176.8400 0.0000 1 973 89 89 PHE CA C 59.2900 0.0000 1 974 89 89 PHE CB C 39.3400 0.0000 1 975 89 89 PHE CD1 C 131.2000 0.0000 2 976 89 89 PHE CD2 C 131.2000 0.0000 2 977 89 89 PHE CE1 C 131.2000 0.0000 2 978 89 89 PHE CE2 C 131.2000 0.0000 2 979 89 89 PHE N N 123.5000 0.0000 1 980 90 90 GLY H H 8.2700 0.0000 1 981 90 90 GLY HA2 H 3.2000 0.0000 2 982 90 90 GLY HA3 H 3.9600 0.0000 2 983 90 90 GLY C C 174.1100 0.0000 1 984 90 90 GLY CA C 44.0800 0.0000 1 985 90 90 GLY N N 113.5100 0.0000 1 986 91 91 ASN H H 6.9800 0.0000 1 987 91 91 ASN HA H 5.0500 0.0000 1 988 91 91 ASN HB2 H 2.8300 0.0000 2 989 91 91 ASN HB3 H 3.0000 0.0000 2 990 91 91 ASN HD21 H 6.8400 0.0000 2 991 91 91 ASN HD22 H 6.9900 0.0000 2 992 91 91 ASN CA C 50.0400 0.0000 1 993 91 91 ASN CB C 38.1000 0.0000 1 994 91 91 ASN N N 119.8300 0.0000 1 995 91 91 ASN ND2 N 113.3600 0.0000 1 996 92 92 PRO HA H 4.5000 0.0000 1 997 92 92 PRO HB2 H 1.9300 0.0000 2 998 92 92 PRO HB3 H 2.1300 0.0000 2 999 92 92 PRO HG2 H 1.5800 0.0000 2 1000 92 92 PRO HG3 H 1.7200 0.0000 2 1001 92 92 PRO HD2 H 3.7000 0.0000 1 1002 92 92 PRO HD3 H 3.8600 0.0000 1 1003 92 92 PRO C C 177.8400 0.0000 1 1004 92 92 PRO CA C 61.1700 0.0000 1 1005 92 92 PRO CB C 32.5200 0.0000 1 1006 92 92 PRO CG C 26.6000 0.0000 1 1007 92 92 PRO CD C 50.0500 0.0000 1 1008 93 93 ARG H H 8.6800 0.0000 1 1009 93 93 ARG HA H 3.8100 0.0000 1 1010 93 93 ARG HB2 H 1.7000 0.0000 2 1011 93 93 ARG HB3 H 1.9100 0.0000 2 1012 93 93 ARG HG2 H 1.6200 0.0000 2 1013 93 93 ARG HG3 H 1.6200 0.0000 2 1014 93 93 ARG HD2 H 3.2000 0.0000 2 1015 93 93 ARG HD3 H 3.2700 0.0000 2 1016 93 93 ARG C C 177.0400 0.0000 1 1017 93 93 ARG CA C 58.1000 0.0000 1 1018 93 93 ARG CB C 29.2300 0.0000 1 1019 93 93 ARG CG C 27.5500 0.0000 1 1020 93 93 ARG CD C 43.7000 0.0000 1 1021 93 93 ARG N N 122.9100 0.0000 1 1022 94 94 GLY H H 9.5400 0.0000 1 1023 94 94 GLY HA2 H 3.3500 0.0000 2 1024 94 94 GLY HA3 H 4.4900 0.0000 2 1025 94 94 GLY C C 176.1500 0.0000 1 1026 94 94 GLY CA C 45.0000 0.0000 1 1027 94 94 GLY N N 113.8900 0.0000 1 1028 95 95 THR H H 7.8100 0.0000 1 1029 95 95 THR HA H 5.3300 0.0000 1 1030 95 95 THR HB H 3.7000 0.0000 1 1031 95 95 THR HG2 H 1.0600 0.0000 1 1032 95 95 THR C C 174.2000 0.0000 1 1033 95 95 THR CA C 64.2000 0.0000 1 1034 95 95 THR CB C 67.2900 0.0000 1 1035 95 95 THR CG2 C 21.0000 0.0000 1 1036 95 95 THR N N 121.0000 0.0000 1 1037 96 96 PHE H H 8.3800 0.0000 1 1038 96 96 PHE HA H 6.0500 0.0000 1 1039 96 96 PHE HB2 H 2.6700 0.0000 1 1040 96 96 PHE HB3 H 2.9000 0.0000 1 1041 96 96 PHE HD1 H 6.5300 0.0000 1 1042 96 96 PHE HD2 H 6.5300 0.0000 1 1043 96 96 PHE HE1 H 6.6200 0.0000 3 1044 96 96 PHE HE2 H 6.6200 0.0000 3 1045 96 96 PHE HZ H 6.8800 0.0000 1 1046 96 96 PHE C C 172.3400 0.0000 1 1047 96 96 PHE CA C 54.7300 0.0000 1 1048 96 96 PHE CB C 44.5800 0.0000 1 1049 96 96 PHE CD1 C 133.3700 0.0000 1 1050 96 96 PHE CD2 C 133.3700 0.0000 1 1051 96 96 PHE CE1 C 128.0900 0.0000 2 1052 96 96 PHE CE2 C 128.0900 0.0000 2 1053 96 96 PHE CZ C 128.9900 0.0000 1 1054 96 96 PHE N N 122.5000 0.0000 1 1055 97 97 LEU H H 8.9300 0.0000 1 1056 97 97 LEU HB2 H 1.3500 0.0000 2 1057 97 97 LEU HB3 H 1.3500 0.0000 2 1058 97 97 LEU HG H 1.4600 0.0000 1 1059 97 97 LEU HD1 H -0.1700 0.0000 2 1060 97 97 LEU HD2 H 0.5900 0.0000 2 1061 97 97 LEU C C 174.5800 0.0000 1 1062 97 97 LEU CA C 54.2500 0.0000 1 1063 97 97 LEU CB C 44.6200 0.0000 1 1064 97 97 LEU CG C 24.2000 0.0000 1 1065 97 97 LEU CD1 C 25.5000 0.0000 2 1066 97 97 LEU CD2 C 24.6200 0.0000 2 1067 97 97 LEU N N 114.5000 0.0000 1 1068 98 98 ILE H H 9.3700 0.0000 1 1069 98 98 ILE HA H 5.5600 0.0000 1 1070 98 98 ILE HB H 2.1400 0.0000 1 1071 98 98 ILE HG12 H 1.0800 0.0000 2 1072 98 98 ILE HG13 H 1.6300 0.0000 2 1073 98 98 ILE HG2 H 1.0600 0.0000 1 1074 98 98 ILE HD1 H 0.3640 0.0000 1 1075 98 98 ILE C C 172.7500 0.0000 1 1076 98 98 ILE CA C 59.7300 0.0000 1 1077 98 98 ILE CB C 39.3700 0.0000 1 1078 98 98 ILE CG1 C 29.1200 0.0000 1 1079 98 98 ILE CG2 C 17.4500 0.0000 1 1080 98 98 ILE CD1 C 12.1600 0.0000 1 1081 98 98 ILE N N 119.9500 0.0000 1 1082 99 99 ARG H H 9.0700 0.0000 1 1083 99 99 ARG HA H 5.1600 0.0000 1 1084 99 99 ARG HB2 H 1.2600 0.0000 1 1085 99 99 ARG HB3 H 2.3200 0.0000 1 1086 99 99 ARG HG2 H 1.4700 0.0000 1 1087 99 99 ARG HG3 H 1.6300 0.0000 1 1088 99 99 ARG HD2 H 2.3800 0.0000 1 1089 99 99 ARG HD3 H 3.4200 0.0000 1 1090 99 99 ARG C C 174.9200 0.0000 1 1091 99 99 ARG CA C 52.1600 0.0000 1 1092 99 99 ARG CB C 33.4000 0.0000 1 1093 99 99 ARG CG C 25.8000 0.0000 1 1094 99 99 ARG CD C 42.5000 0.0000 1 1095 99 99 ARG N N 123.7000 0.0000 1 1096 100 100 GLU H H 8.7600 0.0000 1 1097 100 100 GLU HA H 4.2300 0.0000 1 1098 100 100 GLU HB2 H 1.7900 0.0000 2 1099 100 100 GLU HB3 H 2.0400 0.0000 2 1100 100 100 GLU HG2 H 2.2300 0.0000 2 1101 100 100 GLU HG3 H 2.2300 0.0000 2 1102 100 100 GLU C C 176.4500 0.0000 1 1103 100 100 GLU CA C 57.4100 0.0000 1 1104 100 100 GLU CB C 29.5600 0.0000 1 1105 100 100 GLU CG C 35.9100 0.0000 1 1106 100 100 GLU N N 121.1000 0.0000 1 1107 101 101 SER H H 7.8100 0.0000 1 1108 101 101 SER HA H 4.4600 0.0000 1 1109 101 101 SER HB2 H 3.4900 0.0000 2 1110 101 101 SER HB3 H 3.8800 0.0000 2 1111 101 101 SER C C 176.4600 0.0000 1 1112 101 101 SER CA C 57.3000 0.0000 1 1113 101 101 SER CB C 63.5000 0.0000 1 1114 101 101 SER N N 115.0000 0.0000 1 1115 102 102 GLU H H 9.7700 0.0000 1 1116 102 102 GLU HA H 4.2600 0.0000 1 1117 102 102 GLU HB2 H 2.0800 0.0000 2 1118 102 102 GLU HB3 H 2.1500 0.0000 2 1119 102 102 GLU HG2 H 2.3200 0.0000 2 1120 102 102 GLU HG3 H 2.3300 0.0000 2 1121 102 102 GLU C C 177.6400 0.0000 1 1122 102 102 GLU CA C 57.4700 0.0000 1 1123 102 102 GLU CB C 30.2700 0.0000 1 1124 102 102 GLU CG C 36.7500 0.0000 1 1125 102 102 GLU N N 127.6900 0.0000 1 1126 103 103 THR H H 7.8900 0.0000 1 1127 103 103 THR HA H 4.2900 0.0000 1 1128 103 103 THR HB H 4.0900 0.0000 1 1129 103 103 THR HG2 H 1.1600 0.0000 1 1130 103 103 THR C C 175.6300 0.0000 1 1131 103 103 THR CA C 61.9000 0.0000 1 1132 103 103 THR CB C 70.2200 0.0000 1 1133 103 103 THR CG2 C 21.4500 0.0000 1 1134 103 103 THR N N 107.9700 0.0000 1 1135 104 104 THR H H 7.7400 0.0000 1 1136 104 104 THR HA H 4.4200 0.0000 1 1137 104 104 THR HB H 3.7000 0.0000 1 1138 104 104 THR HG2 H 1.1000 0.0000 1 1139 104 104 THR C C 173.1700 0.0000 1 1140 104 104 THR CA C 60.9000 0.0000 1 1141 104 104 THR CB C 69.8500 0.0000 1 1142 104 104 THR CG2 C 21.0600 0.0000 1 1143 104 104 THR N N 120.5000 0.0000 1 1144 105 105 LYS H H 8.5700 0.0000 1 1145 105 105 LYS HA H 4.1100 0.0000 1 1146 105 105 LYS HB2 H 1.7100 0.0000 1 1147 105 105 LYS HB3 H 1.7100 0.0000 1 1148 105 105 LYS HG2 H 1.3400 0.0000 1 1149 105 105 LYS HG3 H 1.4200 0.0000 1 1150 105 105 LYS HD2 H 2.9700 0.0000 2 1151 105 105 LYS HD3 H 2.9900 0.0000 2 1152 105 105 LYS C C 178.2000 0.0000 1 1153 105 105 LYS CA C 57.4200 0.0000 1 1154 105 105 LYS CB C 31.1700 0.0000 1 1155 105 105 LYS CG C 24.0000 0.0000 1 1156 105 105 LYS CD C 41.7000 0.0000 1 1157 105 105 LYS N N 128.0600 0.0000 1 1158 106 106 GLY H H 8.9000 0.0000 1 1159 106 106 GLY HA2 H 3.6000 0.0000 2 1160 106 106 GLY HA3 H 4.1500 0.0000 2 1161 106 106 GLY C C 172.9600 0.0000 1 1162 106 106 GLY CA C 44.8000 0.0000 1 1163 106 106 GLY N N 114.4000 0.0000 1 1164 107 107 ALA H H 7.5900 0.0000 1 1165 107 107 ALA HA H 4.9400 0.0000 1 1166 107 107 ALA HB H 1.4300 0.0000 1 1167 107 107 ALA C C 176.4600 0.0000 1 1168 107 107 ALA CA C 49.4200 0.0000 1 1169 107 107 ALA CB C 19.4600 0.0000 1 1170 107 107 ALA N N 120.8000 0.0000 1 1171 108 108 TYR H H 8.8900 0.0000 1 1172 108 108 TYR HA H 5.2200 0.0000 1 1173 108 108 TYR HB2 H 2.6300 0.0000 1 1174 108 108 TYR HB3 H 3.1900 0.0000 1 1175 108 108 TYR HD1 H 6.9700 0.0000 3 1176 108 108 TYR HD2 H 6.9700 0.0000 3 1177 108 108 TYR HE1 H 7.0800 0.0000 3 1178 108 108 TYR HE2 H 7.0800 0.0000 3 1179 108 108 TYR C C 174.3100 0.0000 1 1180 108 108 TYR CA C 56.4500 0.0000 1 1181 108 108 TYR CB C 42.3800 0.0000 1 1182 108 108 TYR CD1 C 132.0000 0.0000 2 1183 108 108 TYR CD2 C 132.0000 0.0000 2 1184 108 108 TYR CE1 C 118.4000 0.0000 2 1185 108 108 TYR CE2 C 118.4000 0.0000 2 1186 108 108 TYR N N 118.5000 0.0000 1 1187 109 109 SER H H 9.6400 0.0000 1 1188 109 109 SER HA H 5.3600 0.0000 1 1189 109 109 SER HB2 H 3.4000 0.0000 2 1190 109 109 SER HB3 H 3.4800 0.0000 2 1191 109 109 SER C C 172.5500 0.0000 1 1192 109 109 SER CA C 57.4800 0.0000 1 1193 109 109 SER CB C 65.0800 0.0000 1 1194 109 109 SER N N 116.0800 0.0000 1 1195 110 110 LEU H H 9.4500 0.0000 1 1196 110 110 LEU HA H 5.1900 0.0000 1 1197 110 110 LEU HB2 H 1.2600 0.0000 2 1198 110 110 LEU HB3 H 1.9600 0.0000 2 1199 110 110 LEU HG H 1.4800 0.0000 1 1200 110 110 LEU HD1 H 0.6900 0.0000 2 1201 110 110 LEU HD2 H 0.4200 0.0000 2 1202 110 110 LEU C C 174.9100 0.0000 1 1203 110 110 LEU CA C 52.8700 0.0000 1 1204 110 110 LEU CB C 43.4500 0.0000 1 1205 110 110 LEU CG C 26.9000 0.0000 1 1206 110 110 LEU CD1 C 23.0100 0.0000 2 1207 110 110 LEU CD2 C 26.5800 0.0000 2 1208 110 110 LEU N N 129.0800 0.0000 1 1209 111 111 SER H H 9.0800 0.0000 1 1210 111 111 SER HA H 5.3600 0.0000 1 1211 111 111 SER HB2 H 3.3000 0.0000 2 1212 111 111 SER HB3 H 3.3900 0.0000 2 1213 111 111 SER C C 172.5500 0.0000 1 1214 111 111 SER CA C 58.2300 0.0000 1 1215 111 111 SER CB C 64.8900 0.0000 1 1216 111 111 SER N N 125.3000 0.0000 1 1217 112 112 ILE H H 9.0200 0.0000 1 1218 112 112 ILE HA H 4.8100 0.0000 1 1219 112 112 ILE HB H 1.3900 0.0000 1 1220 112 112 ILE HG12 H 1.4700 0.0000 2 1221 112 112 ILE HG13 H 1.6000 0.0000 2 1222 112 112 ILE HG2 H 0.6600 0.0000 1 1223 112 112 ILE HD1 H 0.7200 0.0000 1 1224 112 112 ILE C C 174.3600 0.0000 1 1225 112 112 ILE CA C 59.3700 0.0000 1 1226 112 112 ILE CB C 43.2800 0.0000 1 1227 112 112 ILE CG1 C 26.8000 0.0000 1 1228 112 112 ILE CG2 C 16.4300 0.0000 1 1229 112 112 ILE CD1 C 15.2200 0.0000 1 1230 112 112 ILE N N 122.9200 0.0000 1 1231 113 113 ARG H H 8.9300 0.0000 1 1232 113 113 ARG HA H 4.4000 0.0000 1 1233 113 113 ARG HB2 H 1.3500 0.0000 1 1234 113 113 ARG HB3 H 1.9800 0.0000 1 1235 113 113 ARG HG2 H 1.3400 0.0000 1 1236 113 113 ARG HG3 H 1.6600 0.0000 1 1237 113 113 ARG HD2 H 2.8200 0.0000 1 1238 113 113 ARG HD3 H 3.2200 0.0000 1 1239 113 113 ARG C C 172.7500 0.0000 1 1240 113 113 ARG CA C 55.9100 0.0000 1 1241 113 113 ARG CB C 30.8000 0.0000 1 1242 113 113 ARG CG C 27.7000 0.0000 1 1243 113 113 ARG CD C 43.4000 0.0000 1 1244 113 113 ARG N N 126.6700 0.0000 1 1245 114 114 ASP H H 9.1400 0.0000 1 1246 114 114 ASP HA H 5.3300 0.0000 1 1247 114 114 ASP HB2 H 1.7400 0.0000 2 1248 114 114 ASP HB3 H 2.3200 0.0000 2 1249 114 114 ASP C C 174.7100 0.0000 1 1250 114 114 ASP CA C 51.3500 0.0000 1 1251 114 114 ASP CB C 44.4500 0.0000 1 1252 114 114 ASP N N 129.7000 0.0000 1 1253 115 115 TRP H H 8.5900 0.0000 1 1254 115 115 TRP HA H 4.8800 0.0000 1 1255 115 115 TRP HB2 H 2.7600 0.0000 2 1256 115 115 TRP HB3 H 3.2500 0.0000 2 1257 115 115 TRP HD1 H 7.3500 0.0000 1 1258 115 115 TRP HE1 H 10.2700 0.0000 1 1259 115 115 TRP HE3 H 7.2800 0.0000 1 1260 115 115 TRP HZ2 H 7.4200 0.0000 1 1261 115 115 TRP HZ3 H 7.0500 0.0000 1 1262 115 115 TRP HH2 H 7.1800 0.0000 1 1263 115 115 TRP C C 174.8900 0.0000 1 1264 115 115 TRP CA C 57.2000 0.0000 1 1265 115 115 TRP CB C 32.5400 0.0000 1 1266 115 115 TRP CD1 C 126.7000 0.0000 1 1267 115 115 TRP CE3 C 120.0100 0.0000 1 1268 115 115 TRP CZ2 C 114.1900 0.0000 1 1269 115 115 TRP CZ3 C 121.6800 0.0000 1 1270 115 115 TRP CH2 C 123.9700 0.0000 1 1271 115 115 TRP N N 121.3000 0.0000 1 1272 115 115 TRP NE1 N 130.2700 0.0000 1 1273 116 116 ASP H H 6.7800 0.0000 1 1274 116 116 ASP HA H 3.9400 0.0000 1 1275 116 116 ASP HB2 H 2.5200 0.0000 2 1276 116 116 ASP HB3 H 2.7400 0.0000 2 1277 116 116 ASP C C 173.9300 0.0000 1 1278 116 116 ASP CA C 52.9300 0.0000 1 1279 116 116 ASP CB C 42.7100 0.0000 1 1280 116 116 ASP N N 122.9000 0.0000 1 1281 117 117 ASP H H 7.9100 0.0000 1 1282 117 117 ASP HA H 3.8500 0.0000 1 1283 117 117 ASP HB2 H 2.5300 0.0000 2 1284 117 117 ASP HB3 H 2.6500 0.0000 2 1285 117 117 ASP C C 176.2700 0.0000 1 1286 117 117 ASP CA C 55.0300 0.0000 1 1287 117 117 ASP CB C 39.7500 0.0000 1 1288 117 117 ASP N N 115.7000 0.0000 1 1289 118 118 MET H H 8.1500 0.0000 1 1290 118 118 MET HA H 4.3600 0.0000 1 1291 118 118 MET HB2 H 1.8700 0.0000 2 1292 118 118 MET HB3 H 1.8700 0.0000 2 1293 118 118 MET HG2 H 2.3500 0.0000 2 1294 118 118 MET HG3 H 2.4700 0.0000 2 1295 118 118 MET HE H 1.9800 0.0000 1 1296 118 118 MET C C 177.6200 0.0000 1 1297 118 118 MET CA C 56.1700 0.0000 1 1298 118 118 MET CB C 32.7000 0.0000 1 1299 118 118 MET CG C 31.3000 0.0000 1 1300 118 118 MET CE C 16.3900 0.0000 1 1301 118 118 MET N N 118.6000 0.0000 1 1302 119 119 LYS H H 9.1800 0.0000 1 1303 119 119 LYS HA H 4.0600 0.0000 1 1304 119 119 LYS HB2 H 1.0800 0.0000 1 1305 119 119 LYS HB3 H 1.2200 0.0000 1 1306 119 119 LYS HG2 H 1.0200 0.0000 2 1307 119 119 LYS HG3 H 1.0200 0.0000 2 1308 119 119 LYS HD2 H 0.9800 0.0000 2 1309 119 119 LYS HD3 H 1.0900 0.0000 2 1310 119 119 LYS HE2 H 2.4100 0.0000 2 1311 119 119 LYS HE3 H 2.5600 0.0000 2 1312 119 119 LYS C C 177.4300 0.0000 1 1313 119 119 LYS CA C 55.5200 0.0000 1 1314 119 119 LYS CB C 32.6300 0.0000 1 1315 119 119 LYS CG C 24.1000 0.0000 1 1316 119 119 LYS CD C 27.7200 0.0000 1 1317 119 119 LYS CE C 40.6700 0.0000 1 1318 119 119 LYS N N 118.9200 0.0000 1 1319 120 120 GLY H H 7.4900 0.0000 1 1320 120 120 GLY HA2 H 3.1900 0.0000 2 1321 120 120 GLY HA3 H 3.9500 0.0000 2 1322 120 120 GLY C C 175.4900 0.0000 1 1323 120 120 GLY CA C 44.4300 0.0000 1 1324 120 120 GLY N N 108.7400 0.0000 1 1325 121 121 ASP H H 8.8200 0.0000 1 1326 121 121 ASP HA H 5.1000 0.0000 1 1327 121 121 ASP HB2 H 2.4000 0.0000 2 1328 121 121 ASP HB3 H 2.6900 0.0000 2 1329 121 121 ASP C C 175.2600 0.0000 1 1330 121 121 ASP CA C 55.1900 0.0000 1 1331 121 121 ASP CB C 40.9000 0.0000 1 1332 121 121 ASP N N 126.6700 0.0000 1 1333 122 122 HIS H H 8.5400 0.0000 1 1334 122 122 HIS HA H 4.7400 0.0000 1 1335 122 122 HIS HB2 H 2.9600 0.0000 1 1336 122 122 HIS HB3 H 3.1600 0.0000 1 1337 122 122 HIS HD2 H 6.5900 0.0000 1 1338 122 122 HIS C C 170.9900 0.0000 1 1339 122 122 HIS CA C 55.4200 0.0000 1 1340 122 122 HIS CB C 29.1500 0.0000 1 1341 122 122 HIS N N 119.8300 0.0000 1 1342 123 123 VAL H H 8.6300 0.0000 1 1343 123 123 VAL HA H 4.7900 0.0000 1 1344 123 123 VAL HB H 1.5700 0.0000 1 1345 123 123 VAL HG1 H 0.1500 0.0000 2 1346 123 123 VAL HG2 H 0.7600 0.0000 2 1347 123 123 VAL C C 174.8800 0.0000 1 1348 123 123 VAL CA C 59.8800 0.0000 1 1349 123 123 VAL CB C 34.5600 0.0000 1 1350 123 123 VAL CG1 C 21.5200 0.0000 2 1351 123 123 VAL CG2 C 22.5000 0.0000 2 1352 123 123 VAL N N 119.8500 0.0000 1 1353 124 124 LYS H H 8.6100 0.0000 1 1354 124 124 LYS HA H 4.4200 0.0000 1 1355 124 124 LYS HB2 H 1.4600 0.0000 1 1356 124 124 LYS HB3 H 1.6600 0.0000 1 1357 124 124 LYS HG2 H 1.3200 0.0000 1 1358 124 124 LYS HG3 H 1.3600 0.0000 1 1359 124 124 LYS HD2 H 1.7500 0.0000 2 1360 124 124 LYS HD3 H 1.7500 0.0000 2 1361 124 124 LYS C C 173.9400 0.0000 1 1362 124 124 LYS CA C 54.0400 0.0000 1 1363 124 124 LYS CB C 36.3600 0.0000 1 1364 124 124 LYS CG C 25.3000 0.0000 1 1365 124 124 LYS CD C 29.2000 0.0000 1 1366 124 124 LYS N N 126.5000 0.0000 1 1367 125 125 HIS H H 8.2500 0.0000 1 1368 125 125 HIS HA H 5.4600 0.0000 1 1369 125 125 HIS HB2 H 2.6500 0.0000 2 1370 125 125 HIS HB3 H 2.6500 0.0000 2 1371 125 125 HIS HD2 H 6.9700 0.0000 1 1372 125 125 HIS HE1 H 7.2500 0.0000 1 1373 125 125 HIS C C 175.6600 0.0000 1 1374 125 125 HIS CA C 54.0000 0.0000 1 1375 125 125 HIS CB C 32.6700 0.0000 1 1376 125 125 HIS CE1 C 137.1000 0.0000 1 1377 125 125 HIS N N 118.6000 0.0000 1 1378 126 126 TYR H H 9.7000 0.0000 1 1379 126 126 TYR HA H 4.7300 0.0000 1 1380 126 126 TYR HB2 H 2.7500 0.0000 2 1381 126 126 TYR HB3 H 2.8400 0.0000 2 1382 126 126 TYR HD1 H 7.0100 0.0000 3 1383 126 126 TYR HD2 H 7.0100 0.0000 3 1384 126 126 TYR HE1 H 6.7900 0.0000 3 1385 126 126 TYR HE2 H 6.7900 0.0000 3 1386 126 126 TYR C C 174.6900 0.0000 1 1387 126 126 TYR CA C 56.3000 0.0000 1 1388 126 126 TYR CB C 40.6800 0.0000 1 1389 126 126 TYR CD1 C 132.9000 0.0000 2 1390 126 126 TYR CD2 C 132.9000 0.0000 2 1391 126 126 TYR CE1 C 117.7300 0.0000 2 1392 126 126 TYR CE2 C 117.7300 0.0000 2 1393 126 126 TYR N N 122.9000 0.0000 1 1394 127 127 LYS H H 8.8500 0.0000 1 1395 127 127 LYS HA H 4.6400 0.0000 1 1396 127 127 LYS HB2 H 1.7500 0.0000 2 1397 127 127 LYS HB3 H 1.7500 0.0000 2 1398 127 127 LYS HG2 H 1.4200 0.0000 2 1399 127 127 LYS HG3 H 1.4200 0.0000 2 1400 127 127 LYS HD2 H 1.4700 0.0000 2 1401 127 127 LYS HD3 H 1.4700 0.0000 2 1402 127 127 LYS HE2 H 2.8500 0.0000 2 1403 127 127 LYS HE3 H 2.9100 0.0000 2 1404 127 127 LYS C C 175.6900 0.0000 1 1405 127 127 LYS CA C 56.4000 0.0000 1 1406 127 127 LYS CB C 32.0000 0.0000 1 1407 127 127 LYS CG C 24.0000 0.0000 1 1408 127 127 LYS CD C 27.8000 0.0000 1 1409 127 127 LYS CE C 41.0000 0.0000 1 1410 127 127 LYS N N 124.9000 0.0000 1 1411 128 128 ILE H H 9.2100 0.0000 1 1412 128 128 ILE HA H 4.3700 0.0000 1 1413 128 128 ILE HB H 1.7800 0.0000 1 1414 128 128 ILE HG12 H 0.6900 0.0000 2 1415 128 128 ILE HG13 H 0.6900 0.0000 2 1416 128 128 ILE HG2 H 0.9030 0.0000 1 1417 128 128 ILE HD1 H 0.7200 0.0000 1 1418 128 128 ILE C C 175.4600 0.0000 1 1419 128 128 ILE CA C 59.8000 0.0000 1 1420 128 128 ILE CB C 38.6500 0.0000 1 1421 128 128 ILE CG1 C 26.2000 0.0000 1 1422 128 128 ILE CG2 C 18.1000 0.0000 1 1423 128 128 ILE CD1 C 15.2200 0.0000 1 1424 128 128 ILE N N 127.5000 0.0000 1 1425 129 129 ARG H H 8.1400 0.0000 1 1426 129 129 ARG HA H 4.6400 0.0000 1 1427 129 129 ARG HB2 H 0.7200 0.0000 2 1428 129 129 ARG HB3 H 1.6000 0.0000 2 1429 129 129 ARG HG2 H 1.4400 0.0000 2 1430 129 129 ARG HG3 H 1.4600 0.0000 2 1431 129 129 ARG HD2 H 3.0200 0.0000 2 1432 129 129 ARG HD3 H 3.0800 0.0000 2 1433 129 129 ARG C C 173.7200 0.0000 1 1434 129 129 ARG CA C 53.3700 0.0000 1 1435 129 129 ARG CB C 32.2800 0.0000 1 1436 129 129 ARG CG C 28.4000 0.0000 1 1437 129 129 ARG CD C 42.8000 0.0000 1 1438 129 129 ARG N N 126.4000 0.0000 1 1439 130 130 LYS H H 8.4700 0.0000 1 1440 130 130 LYS HA H 4.9200 0.0000 1 1441 130 130 LYS HB2 H 1.4900 0.0000 1 1442 130 130 LYS HB3 H 1.6900 0.0000 1 1443 130 130 LYS HG2 H 0.7900 0.0000 2 1444 130 130 LYS HG3 H 1.2000 0.0000 2 1445 130 130 LYS HD2 H 1.0400 0.0000 2 1446 130 130 LYS HD3 H 1.3800 0.0000 2 1447 130 130 LYS HE2 H 2.8100 0.0000 2 1448 130 130 LYS HE3 H 2.8800 0.0000 2 1449 130 130 LYS C C 177.5500 0.0000 1 1450 130 130 LYS CA C 53.8000 0.0000 1 1451 130 130 LYS CB C 34.4400 0.0000 1 1452 130 130 LYS CG C 24.0000 0.0000 1 1453 130 130 LYS CD C 27.9000 0.0000 1 1454 130 130 LYS CE C 41.9000 0.0000 1 1455 130 130 LYS N N 119.2000 0.0000 1 1456 131 131 LEU H H 8.6800 0.0000 1 1457 131 131 LEU HA H 4.4300 0.0000 1 1458 131 131 LEU HB2 H 1.4600 0.0000 2 1459 131 131 LEU HB3 H 1.4700 0.0000 2 1460 131 131 LEU HG H 1.6100 0.0000 1 1461 131 131 LEU HD1 H 0.6600 0.0000 2 1462 131 131 LEU HD2 H 0.6700 0.0000 2 1463 131 131 LEU C C 178.4000 0.0000 1 1464 131 131 LEU CA C 54.0600 0.0000 1 1465 131 131 LEU CB C 42.0800 0.0000 1 1466 131 131 LEU CG C 26.3000 0.0000 1 1467 131 131 LEU CD1 C 24.4000 0.0000 2 1468 131 131 LEU CD2 C 23.0200 0.0000 2 1469 131 131 LEU N N 129.0600 0.0000 1 1470 132 132 ASP H H 8.8200 0.0000 1 1471 132 132 ASP HA H 4.2700 0.0000 1 1472 132 132 ASP HB2 H 2.5800 0.0000 2 1473 132 132 ASP HB3 H 2.5800 0.0000 2 1474 132 132 ASP C C 177.0300 0.0000 1 1475 132 132 ASP CA C 56.3500 0.0000 1 1476 132 132 ASP CB C 39.6500 0.0000 1 1477 132 132 ASP N N 123.9500 0.0000 1 1478 133 133 ASN H H 8.2800 0.0000 1 1479 133 133 ASN HA H 4.6400 0.0000 1 1480 133 133 ASN HB2 H 2.8300 0.0000 2 1481 133 133 ASN HB3 H 2.8500 0.0000 2 1482 133 133 ASN HD21 H 6.8400 0.0000 2 1483 133 133 ASN HD22 H 7.5200 0.0000 2 1484 133 133 ASN C C 175.0200 0.0000 1 1485 133 133 ASN CA C 52.4800 0.0000 1 1486 133 133 ASN CB C 37.3000 0.0000 1 1487 133 133 ASN N N 115.9800 0.0000 1 1488 133 133 ASN ND2 N 112.3700 0.0000 1 1489 134 134 GLY H H 7.5400 0.0000 1 1490 134 134 GLY HA2 H 3.9100 0.0000 2 1491 134 134 GLY HA3 H 3.9500 0.0000 2 1492 134 134 GLY C C 172.9500 0.0000 1 1493 134 134 GLY CA C 44.4000 0.0000 1 1494 134 134 GLY N N 107.7300 0.0000 1 1495 135 135 GLY H H 8.1000 0.0000 1 1496 135 135 GLY HA2 H 4.2500 0.0000 2 1497 135 135 GLY HA3 H 3.8100 0.0000 2 1498 135 135 GLY C C 173.1400 0.0000 1 1499 135 135 GLY CA C 43.7900 0.0000 1 1500 135 135 GLY N N 109.2000 0.0000 1 1501 136 136 TYR H H 9.3100 0.0000 1 1502 136 136 TYR HA H 5.6100 0.0000 1 1503 136 136 TYR HB2 H 2.6000 0.0000 2 1504 136 136 TYR HB3 H 2.8200 0.0000 2 1505 136 136 TYR HD1 H 6.9200 0.0000 3 1506 136 136 TYR HD2 H 6.9100 0.0000 3 1507 136 136 TYR HE1 H 6.9600 0.0000 3 1508 136 136 TYR HE2 H 6.9600 0.0000 3 1509 136 136 TYR C C 176.9500 0.0000 1 1510 136 136 TYR CA C 57.4300 0.0000 1 1511 136 136 TYR CB C 41.5700 0.0000 1 1512 136 136 TYR CD1 C 132.5200 0.0000 2 1513 136 136 TYR CD2 C 132.5200 0.0000 2 1514 136 136 TYR CE1 C 117.7200 0.0000 2 1515 136 136 TYR CE2 C 117.7200 0.0000 2 1516 136 136 TYR N N 117.9000 0.0000 1 1517 137 137 TYR H H 9.2100 0.0000 1 1518 137 137 TYR HA H 5.2500 0.0000 1 1519 137 137 TYR HB2 H 2.9000 0.0000 2 1520 137 137 TYR HB3 H 3.4700 0.0000 2 1521 137 137 TYR HD1 H 6.7100 0.0000 3 1522 137 137 TYR HD2 H 6.7100 0.0000 3 1523 137 137 TYR HE1 H 6.4700 0.0000 3 1524 137 137 TYR HE2 H 6.4700 0.0000 3 1525 137 137 TYR C C 172.5400 0.0000 1 1526 137 137 TYR CA C 57.5350 0.0000 1 1527 137 137 TYR CB C 40.6000 0.0000 1 1528 137 137 TYR CD1 C 133.1000 0.0000 2 1529 137 137 TYR CD2 C 133.1000 0.0000 2 1530 137 137 TYR CE1 C 117.3700 0.0000 2 1531 137 137 TYR CE2 C 117.3700 0.0000 2 1532 137 137 TYR N N 116.2000 0.0000 1 1533 138 138 ILE H H 9.8300 0.0000 1 1534 138 138 ILE HA H 4.4800 0.0000 1 1535 138 138 ILE HB H 1.6000 0.0000 1 1536 138 138 ILE HG12 H 0.9100 0.0000 2 1537 138 138 ILE HG13 H 1.6000 0.0000 2 1538 138 138 ILE HG2 H 0.3700 0.0000 1 1539 138 138 ILE HD1 H 0.9000 0.0000 1 1540 138 138 ILE C C 177.0700 0.0000 1 1541 138 138 ILE CA C 62.9200 0.0000 1 1542 138 138 ILE CB C 40.4700 0.0000 1 1543 138 138 ILE CG1 C 28.5000 0.0000 1 1544 138 138 ILE CG2 C 16.8000 0.0000 1 1545 138 138 ILE CD1 C 13.8000 0.0000 1 1546 138 138 ILE N N 120.0800 0.0000 1 1547 139 139 THR H H 8.9700 0.0000 1 1548 139 139 THR HA H 5.0800 0.0000 1 1549 139 139 THR HB H 4.5900 0.0000 1 1550 139 139 THR HG2 H 1.3600 0.0000 1 1551 139 139 THR C C 174.7100 0.0000 1 1552 139 139 THR CA C 58.4700 0.0000 1 1553 139 139 THR CB C 70.3500 0.0000 1 1554 139 139 THR CG2 C 20.2600 0.0000 1 1555 139 139 THR N N 113.3100 0.0000 1 1556 140 140 THR H H 8.5700 0.0000 1 1557 140 140 THR HA H 3.6600 0.0000 1 1558 140 140 THR HB H 4.1800 0.0000 1 1559 140 140 THR HG2 H 1.0200 0.0000 1 1560 140 140 THR C C 175.4900 0.0000 1 1561 140 140 THR CA C 63.5000 0.0000 1 1562 140 140 THR CB C 68.1700 0.0000 1 1563 140 140 THR CG2 C 21.1000 0.0000 1 1564 140 140 THR N N 112.6000 0.0000 1 1565 141 141 ARG H H 7.8400 0.0000 1 1566 141 141 ARG HA H 4.1300 0.0000 1 1567 141 141 ARG HB2 H 1.7400 0.0000 1 1568 141 141 ARG HB3 H 1.9300 0.0000 1 1569 141 141 ARG HG2 H 1.6300 0.0000 1 1570 141 141 ARG HG3 H 1.6300 0.0000 1 1571 141 141 ARG HD2 H 3.1600 0.0000 1 1572 141 141 ARG HD3 H 3.1800 0.0000 1 1573 141 141 ARG C C 175.4900 0.0000 1 1574 141 141 ARG CA C 56.6000 0.0000 1 1575 141 141 ARG CB C 30.0800 0.0000 1 1576 141 141 ARG CG C 26.8000 0.0000 1 1577 141 141 ARG CD C 42.7000 0.0000 1 1578 141 141 ARG N N 117.7100 0.0000 1 1579 142 142 ALA H H 7.4500 0.0000 1 1580 142 142 ALA HA H 4.3000 0.0000 1 1581 142 142 ALA HB H 0.9900 0.0000 1 1582 142 142 ALA C C 173.3300 0.0000 1 1583 142 142 ALA CA C 51.2200 0.0000 1 1584 142 142 ALA CB C 20.0000 0.0000 1 1585 142 142 ALA N N 122.2000 0.0000 1 1586 143 143 GLN H H 7.7000 0.0000 1 1587 143 143 GLN HA H 5.0800 0.0000 1 1588 143 143 GLN HB2 H 1.6400 0.0000 2 1589 143 143 GLN HB3 H 1.7100 0.0000 2 1590 143 143 GLN HG2 H 1.9200 0.0000 2 1591 143 143 GLN HG3 H 1.9200 0.0000 2 1592 143 143 GLN HE21 H 6.5100 0.0000 2 1593 143 143 GLN HE22 H 7.3000 0.0000 2 1594 143 143 GLN C C 174.9500 0.0000 1 1595 143 143 GLN CA C 52.9200 0.0000 1 1596 143 143 GLN CB C 31.0700 0.0000 1 1597 143 143 GLN CG C 32.4400 0.0000 1 1598 143 143 GLN N N 118.6000 0.0000 1 1599 143 143 GLN NE2 N 111.3000 0.0000 1 1600 144 144 PHE H H 9.2300 0.0000 1 1601 144 144 PHE HA H 4.8800 0.0000 1 1602 144 144 PHE HB2 H 2.6000 0.0000 1 1603 144 144 PHE HB3 H 3.3800 0.0000 1 1604 144 144 PHE HD1 H 7.1700 0.0000 3 1605 144 144 PHE HD2 H 7.1700 0.0000 3 1606 144 144 PHE HE1 H 6.9700 0.0000 3 1607 144 144 PHE HE2 H 6.9700 0.0000 3 1608 144 144 PHE HZ H 5.8000 0.0000 1 1609 144 144 PHE C C 175.8500 0.0000 1 1610 144 144 PHE CA C 56.7100 0.0000 1 1611 144 144 PHE CB C 43.4400 0.0000 1 1612 144 144 PHE CD1 C 131.7900 0.0000 2 1613 144 144 PHE CD2 C 131.7900 0.0000 2 1614 144 144 PHE CE1 C 130.7600 0.0000 2 1615 144 144 PHE CE2 C 130.7600 0.0000 2 1616 144 144 PHE CZ C 128.4500 0.0000 1 1617 144 144 PHE N N 117.7700 0.0000 1 1618 145 145 GLU H H 9.0900 0.0000 1 1619 145 145 GLU HA H 4.2200 0.0000 1 1620 145 145 GLU HB2 H 2.2500 0.0000 2 1621 145 145 GLU HB3 H 2.2500 0.0000 2 1622 145 145 GLU HG2 H 2.3300 0.0000 2 1623 145 145 GLU HG3 H 2.4500 0.0000 2 1624 145 145 GLU C C 177.0400 0.0000 1 1625 145 145 GLU CA C 59.0200 0.0000 1 1626 145 145 GLU CB C 29.9000 0.0000 1 1627 145 145 GLU CG C 36.1000 0.0000 1 1628 145 145 GLU N N 121.8900 0.0000 1 1629 146 146 THR H H 7.3900 0.0000 1 1630 146 146 THR HA H 4.9700 0.0000 1 1631 146 146 THR HB H 4.7800 0.0000 1 1632 146 146 THR HG2 H 1.2400 0.0000 1 1633 146 146 THR C C 174.9000 0.0000 1 1634 146 146 THR CA C 57.6000 0.0000 1 1635 146 146 THR CB C 72.6100 0.0000 1 1636 146 146 THR CG2 C 21.0300 0.0000 1 1637 146 146 THR N N 102.2900 0.0000 1 1638 147 147 LEU H H 9.0300 0.0000 1 1639 147 147 LEU HA H 3.6600 0.0000 1 1640 147 147 LEU HB2 H 0.9900 0.0000 2 1641 147 147 LEU HB3 H 1.4400 0.0000 2 1642 147 147 LEU HG H 0.6800 0.0000 1 1643 147 147 LEU HD1 H 0.1500 0.0000 2 1644 147 147 LEU HD2 H 0.0900 0.0000 2 1645 147 147 LEU C C 178.5100 0.0000 1 1646 147 147 LEU CA C 56.4200 0.0000 1 1647 147 147 LEU CB C 40.9800 0.0000 1 1648 147 147 LEU CG C 25.7000 0.0000 1 1649 147 147 LEU CD1 C 22.8400 0.0000 2 1650 147 147 LEU CD2 C 23.8000 0.0000 2 1651 147 147 LEU N N 121.3600 0.0000 1 1652 148 148 GLN H H 9.1800 0.0000 1 1653 148 148 GLN HA H 3.9200 0.0000 1 1654 148 148 GLN HB2 H 2.0500 0.0000 2 1655 148 148 GLN HB3 H 2.1800 0.0000 2 1656 148 148 GLN HG2 H 2.4300 0.0000 2 1657 148 148 GLN HG3 H 2.8200 0.0000 2 1658 148 148 GLN HE21 H 6.5300 0.0000 2 1659 148 148 GLN HE22 H 8.1100 0.0000 2 1660 148 148 GLN CA C 60.5500 0.0000 1 1661 148 148 GLN CB C 26.4000 0.0000 1 1662 148 148 GLN CG C 34.1000 0.0000 1 1663 148 148 GLN N N 118.0200 0.0000 1 1664 148 148 GLN NE2 N 110.9200 0.0000 1 1665 149 149 GLN H H 7.9200 0.0000 1 1666 149 149 GLN HA H 3.9400 0.0000 1 1667 149 149 GLN HB2 H 2.3300 0.0000 2 1668 149 149 GLN HB3 H 2.3300 0.0000 2 1669 149 149 GLN HG2 H 2.5100 0.0000 2 1670 149 149 GLN HG3 H 2.5400 0.0000 2 1671 149 149 GLN HE21 H 7.2100 0.0000 2 1672 149 149 GLN HE22 H 7.5900 0.0000 2 1673 149 149 GLN C C 178.0100 0.0000 1 1674 149 149 GLN CA C 58.2300 0.0000 1 1675 149 149 GLN CB C 28.7200 0.0000 1 1676 149 149 GLN CG C 33.9900 0.0000 1 1677 149 149 GLN N N 118.8200 0.0000 1 1678 149 149 GLN NE2 N 111.8400 0.0000 1 1679 150 150 LEU H H 7.0400 0.0000 1 1680 150 150 LEU HA H 2.0800 0.0000 1 1681 150 150 LEU HB2 H 1.1700 0.0000 2 1682 150 150 LEU HB3 H 1.7200 0.0000 2 1683 150 150 LEU HG H 1.4200 0.0000 1 1684 150 150 LEU HD1 H 0.4700 0.0000 2 1685 150 150 LEU HD2 H 0.8800 0.0000 2 1686 150 150 LEU C C 177.3600 0.0000 1 1687 150 150 LEU CA C 58.5300 0.0000 1 1688 150 150 LEU CB C 40.7700 0.0000 1 1689 150 150 LEU CG C 26.5000 0.0000 1 1690 150 150 LEU CD1 C 23.2000 0.0000 2 1691 150 150 LEU CD2 C 27.2200 0.0000 2 1692 150 150 LEU N N 123.7000 0.0000 1 1693 151 151 VAL H H 7.9500 0.0000 1 1694 151 151 VAL HA H 2.7700 0.0000 1 1695 151 151 VAL HB H 1.4400 0.0000 1 1696 151 151 VAL HG1 H 0.1400 0.0000 2 1697 151 151 VAL HG2 H -0.4500 0.0000 2 1698 151 151 VAL C C 178.6200 0.0000 1 1699 151 151 VAL CA C 65.9000 0.0000 1 1700 151 151 VAL CB C 30.7000 0.0000 1 1701 151 151 VAL CG1 C 20.1100 0.0000 2 1702 151 151 VAL CG2 C 22.0000 0.0000 2 1703 151 151 VAL N N 119.4200 0.0000 1 1704 152 152 GLN H H 7.8700 0.0000 1 1705 152 152 GLN HA H 3.7600 0.0000 1 1706 152 152 GLN HB2 H 1.9600 0.0000 2 1707 152 152 GLN HB3 H 2.0600 0.0000 2 1708 152 152 GLN HG2 H 2.3600 0.0000 2 1709 152 152 GLN HG3 H 2.3600 0.0000 2 1710 152 152 GLN HE21 H 6.8000 0.0000 2 1711 152 152 GLN HE22 H 7.6700 0.0000 2 1712 152 152 GLN C C 178.4100 0.0000 1 1713 152 152 GLN CA C 58.5100 0.0000 1 1714 152 152 GLN CB C 27.2000 0.0000 1 1715 152 152 GLN CG C 32.8000 0.0000 1 1716 152 152 GLN N N 119.6700 0.0000 1 1717 152 152 GLN NE2 N 112.4700 0.0000 1 1718 153 153 HIS H H 7.6700 0.0000 1 1719 153 153 HIS HA H 3.9800 0.0000 1 1720 153 153 HIS HB2 H 2.6100 0.0000 2 1721 153 153 HIS HB3 H 2.8300 0.0000 2 1722 153 153 HIS HD2 H 5.0000 0.0000 1 1723 153 153 HIS HE1 H 7.7400 0.0000 1 1724 153 153 HIS C C 177.9100 0.0000 1 1725 153 153 HIS CA C 59.8000 0.0000 1 1726 153 153 HIS CB C 30.8500 0.0000 1 1727 153 153 HIS CD2 C 120.8300 0.0000 1 1728 153 153 HIS CE1 C 137.6900 0.0000 1 1729 153 153 HIS N N 118.9500 0.0000 1 1730 154 154 TYR H H 7.4700 0.0000 1 1731 154 154 TYR HA H 4.9300 0.0000 1 1732 154 154 TYR HB2 H 2.0600 0.0000 1 1733 154 154 TYR HB3 H 3.1600 0.0000 1 1734 154 154 TYR HD1 H 7.2100 0.0000 3 1735 154 154 TYR HD2 H 7.2100 0.0000 3 1736 154 154 TYR HE1 H 6.8300 0.0000 3 1737 154 154 TYR HE2 H 6.8300 0.0000 3 1738 154 154 TYR C C 175.6700 0.0000 1 1739 154 154 TYR CA C 59.4700 0.0000 1 1740 154 154 TYR CB C 36.8900 0.0000 1 1741 154 154 TYR CD1 C 133.8000 0.0000 2 1742 154 154 TYR CD2 C 133.8000 0.0000 2 1743 154 154 TYR CE1 C 117.3900 0.0000 2 1744 154 154 TYR CE2 C 117.3900 0.0000 2 1745 154 154 TYR N N 114.5500 0.0000 1 1746 155 155 SER H H 7.5500 0.0000 1 1747 155 155 SER HA H 4.8200 0.0000 1 1748 155 155 SER HB2 H 3.9300 0.0000 2 1749 155 155 SER HB3 H 3.7500 0.0000 2 1750 155 155 SER C C 174.9300 0.0000 1 1751 155 155 SER CA C 59.6900 0.0000 1 1752 155 155 SER CB C 62.9000 0.0000 1 1753 155 155 SER N N 114.5000 0.0000 1 1754 156 156 GLU H H 7.2400 0.0000 1 1755 156 156 GLU HA H 4.1700 0.0000 1 1756 156 156 GLU HB2 H 1.9200 0.0000 2 1757 156 156 GLU HB3 H 1.9300 0.0000 2 1758 156 156 GLU HG2 H 2.1000 0.0000 2 1759 156 156 GLU HG3 H 2.3800 0.0000 2 1760 156 156 GLU C C 176.5100 0.0000 1 1761 156 156 GLU CA C 56.6000 0.0000 1 1762 156 156 GLU CB C 29.9000 0.0000 1 1763 156 156 GLU CG C 35.5000 0.0000 1 1764 156 156 GLU N N 121.0000 0.0000 1 1765 157 157 ARG H H 7.5000 0.0000 1 1766 157 157 ARG HA H 4.2300 0.0000 1 1767 157 157 ARG HB2 H 1.5100 0.0000 1 1768 157 157 ARG HB3 H 1.7700 0.0000 1 1769 157 157 ARG HG2 H 1.2400 0.0000 1 1770 157 157 ARG HG3 H 1.3700 0.0000 1 1771 157 157 ARG HD2 H 2.9500 0.0000 1 1772 157 157 ARG HD3 H 2.9700 0.0000 1 1773 157 157 ARG C C 172.5600 0.0000 1 1774 157 157 ARG CA C 54.1000 0.0000 1 1775 157 157 ARG CB C 31.2000 0.0000 1 1776 157 157 ARG CG C 25.4000 0.0000 1 1777 157 157 ARG CD C 42.5000 0.0000 1 1778 157 157 ARG N N 115.8000 0.0000 1 1779 158 158 ALA H H 8.4200 0.0000 1 1780 158 158 ALA HA H 3.8300 0.0000 1 1781 158 158 ALA HB H 1.1600 0.0000 1 1782 158 158 ALA C C 178.2200 0.0000 1 1783 158 158 ALA CA C 54.4200 0.0000 1 1784 158 158 ALA CB C 17.4300 0.0000 1 1785 158 158 ALA N N 121.8000 0.0000 1 1786 159 159 ALA H H 8.2400 0.0000 1 1787 159 159 ALA HA H 4.0000 0.0000 1 1788 159 159 ALA HB H 1.2500 0.0000 1 1789 159 159 ALA C C 176.8800 0.0000 1 1790 159 159 ALA CA C 52.0100 0.0000 1 1791 159 159 ALA CB C 18.6000 0.0000 1 1792 159 159 ALA N N 115.3000 0.0000 1 1793 160 160 GLY H H 8.3500 0.0000 1 1794 160 160 GLY HA2 H 3.5800 0.0000 2 1795 160 160 GLY HA3 H 4.4600 0.0000 2 1796 160 160 GLY C C 175.8900 0.0000 1 1797 160 160 GLY CA C 44.3700 0.0000 1 1798 160 160 GLY N N 105.3900 0.0000 1 1799 161 161 LEU H H 8.0700 0.0000 1 1800 161 161 LEU HA H 4.0900 0.0000 1 1801 161 161 LEU HB2 H 0.9300 0.0000 2 1802 161 161 LEU HB3 H 1.7000 0.0000 2 1803 161 161 LEU HG H 1.3000 0.0000 1 1804 161 161 LEU HD1 H -0.4000 0.0000 2 1805 161 161 LEU HD2 H -0.1700 0.0000 2 1806 161 161 LEU C C 176.6200 0.0000 1 1807 161 161 LEU CA C 53.6000 0.0000 1 1808 161 161 LEU CB C 41.2000 0.0000 1 1809 161 161 LEU CG C 25.7000 0.0000 1 1810 161 161 LEU CD1 C 19.3000 0.0000 2 1811 161 161 LEU CD2 C 24.3000 0.0000 2 1812 161 161 LEU N N 119.9500 0.0000 1 1813 162 162 CYS H H 7.3600 0.0000 1 1814 162 162 CYS HA H 4.2300 0.0000 1 1815 162 162 CYS HB2 H 2.7800 0.0000 2 1816 162 162 CYS HB3 H 3.4900 0.0000 2 1817 162 162 CYS C C 173.3300 0.0000 1 1818 162 162 CYS CA C 57.9800 0.0000 1 1819 162 162 CYS CB C 28.0600 0.0000 1 1820 162 162 CYS N N 116.5800 0.0000 1 1821 163 163 CYS H H 7.3400 0.0000 1 1822 163 163 CYS HA H 4.4700 0.0000 1 1823 163 163 CYS HB2 H 2.9700 0.0000 2 1824 163 163 CYS HB3 H 3.1600 0.0000 2 1825 163 163 CYS C C 170.1900 0.0000 1 1826 163 163 CYS CA C 56.0600 0.0000 1 1827 163 163 CYS CB C 28.9500 0.0000 1 1828 163 163 CYS N N 114.8000 0.0000 1 1829 164 164 ARG H H 7.8500 0.0000 1 1830 164 164 ARG HA H 4.1000 0.0000 1 1831 164 164 ARG HB2 H 1.4800 0.0000 2 1832 164 164 ARG HB3 H 1.4800 0.0000 2 1833 164 164 ARG HG2 H 1.1800 0.0000 2 1834 164 164 ARG HG3 H 1.3800 0.0000 2 1835 164 164 ARG HD2 H 3.0200 0.0000 1 1836 164 164 ARG HD3 H 2.8400 0.0000 1 1837 164 164 ARG C C 175.1300 0.0000 1 1838 164 164 ARG CA C 55.2200 0.0000 1 1839 164 164 ARG CB C 30.3000 0.0000 1 1840 164 164 ARG CG C 27.0000 0.0000 1 1841 164 164 ARG CD C 43.4000 0.0000 1 1842 164 164 ARG N N 116.5000 0.0000 1 1843 165 165 LEU H H 7.7700 0.0000 1 1844 165 165 LEU HA H 3.8300 0.0000 1 1845 165 165 LEU HB2 H 0.0330 0.0000 2 1846 165 165 LEU HB3 H 1.0200 0.0000 2 1847 165 165 LEU HD1 H -0.1500 0.0000 2 1848 165 165 LEU HD2 H 0.0800 0.0000 2 1849 165 165 LEU C C 176.8600 0.0000 1 1850 165 165 LEU CA C 54.0000 0.0000 1 1851 165 165 LEU CB C 37.3800 0.0000 1 1852 165 165 LEU CD1 C 24.2800 0.0000 2 1853 165 165 LEU CD2 C 21.5700 0.0000 2 1854 165 165 LEU N N 119.7200 0.0000 1 1855 166 166 VAL H H 8.5200 0.0000 1 1856 166 166 VAL HA H 3.9300 0.0000 1 1857 166 166 VAL HB H 1.6800 0.0000 1 1858 166 166 VAL HG1 H 0.9000 0.0000 2 1859 166 166 VAL HG2 H 1.0200 0.0000 2 1860 166 166 VAL C C 176.2500 0.0000 1 1861 166 166 VAL CA C 64.5700 0.0000 1 1862 166 166 VAL CB C 33.6000 0.0000 1 1863 166 166 VAL CG1 C 20.1400 0.0000 2 1864 166 166 VAL CG2 C 21.7000 0.0000 2 1865 166 166 VAL N N 123.5600 0.0000 1 1866 167 167 VAL H H 7.1800 0.0000 1 1867 167 167 VAL HA H 4.9700 0.0000 1 1868 167 167 VAL HB H 2.1700 0.0000 1 1869 167 167 VAL HG1 H 1.0400 0.0000 2 1870 167 167 VAL HG2 H 0.8600 0.0000 2 1871 167 167 VAL CA C 57.4300 0.0000 1 1872 167 167 VAL CB C 34.4300 0.0000 1 1873 167 167 VAL CG1 C 20.0000 0.0000 2 1874 167 167 VAL CG2 C 20.0000 0.0000 2 1875 167 167 VAL N N 115.2600 0.0000 1 1876 168 168 PRO HA H 3.7500 0.0000 1 1877 168 168 PRO HB2 H 1.7600 0.0000 1 1878 168 168 PRO HB3 H 1.8000 0.0000 1 1879 168 168 PRO HG2 H 2.1600 0.0000 1 1880 168 168 PRO HG3 H 2.1600 0.0000 1 1881 168 168 PRO HD2 H 3.6900 0.0000 1 1882 168 168 PRO HD3 H 3.9700 0.0000 1 1883 168 168 PRO C C 176.4500 0.0000 1 1884 168 168 PRO CA C 61.0000 0.0000 1 1885 168 168 PRO CB C 31.6000 0.0000 1 1886 168 168 PRO CG C 27.4000 0.0000 1 1887 168 168 PRO CD C 51.1200 0.0000 1 1888 169 169 CYS H H 8.3200 0.0000 1 1889 169 169 CYS HA H 3.7200 0.0000 1 1890 169 169 CYS HB2 H 1.8400 0.0000 2 1891 169 169 CYS HB3 H 2.5100 0.0000 2 1892 169 169 CYS C C 172.7500 0.0000 1 1893 169 169 CYS CA C 59.8800 0.0000 1 1894 169 169 CYS CB C 27.0700 0.0000 1 1895 169 169 CYS N N 123.6900 0.0000 1 1896 170 170 HIS H H 8.3200 0.0000 1 1897 170 170 HIS HA H 4.6000 0.0000 1 1898 170 170 HIS HB2 H 3.2300 0.0000 2 1899 170 170 HIS HB3 H 3.3200 0.0000 2 1900 170 170 HIS HD2 H 7.3000 0.0000 1 1901 170 170 HIS HE1 H 8.4400 0.0000 1 1902 170 170 HIS C C 174.5800 0.0000 1 1903 170 170 HIS CA C 56.1300 0.0000 1 1904 170 170 HIS CB C 28.6000 0.0000 1 1905 170 170 HIS CD2 C 119.9700 0.0000 1 1906 170 170 HIS CE1 C 136.1600 0.0000 1 1907 170 170 HIS N N 126.1800 0.0000 1 1908 171 171 LYS H H 8.3100 0.0000 1 1909 171 171 LYS HA H 4.1300 0.0000 1 1910 171 171 LYS HB2 H 1.5300 0.0000 1 1911 171 171 LYS HB3 H 1.7300 0.0000 2 1912 171 171 LYS HG2 H 1.0000 0.0000 2 1913 171 171 LYS HG3 H 1.2100 0.0000 2 1914 171 171 LYS HD2 H 1.2400 0.0000 2 1915 171 171 LYS HD3 H 1.2900 0.0000 2 1916 171 171 LYS HE2 H 2.3600 0.0000 2 1917 171 171 LYS HE3 H 2.4100 0.0000 2 1918 171 171 LYS CA C 57.6600 0.0000 1 1919 171 171 LYS CB C 32.8000 0.0000 1 1920 171 171 LYS CG C 25.0500 0.0000 1 1921 171 171 LYS CD C 28.3700 0.0000 1 1922 171 171 LYS CE C 41.6000 0.0000 1 1923 171 171 LYS N N 128.8500 0.0000 1 stop_ save_