data_18320 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structures of RadA intein from Pyrococcus horikoshii ; _BMRB_accession_number 18320 _BMRB_flat_file_name bmr18320.str _Entry_type original _Submission_date 2012-03-09 _Accession_date 2012-03-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Oeemig Jesper S. . 2 Zhou Dongwen . . 3 Kajander Tommi . . 4 Wlodawer Alexander . . 5 Iwai Hideo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 984 "13C chemical shifts" 708 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-11 update BMRB 'update entry citation' 2012-05-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR and crystal structures of the Pyrococcus horikoshii RadA intein guide a strategy for engineering a highly efficient and promiscuous intein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22560994 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Oeemig Jesper S. . 2 Zhou Dongwen . . 3 Kajander Tommi . . 4 Wlodawer Alexander . . 5 Iwai Hideo . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 421 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 85 _Page_last 99 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PhoRadA intein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PhoRadA intein' $PhoRadA_intein 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_PhoRadA_intein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PhoRadA_intein _Molecular_mass 19918.725 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; AFARDTEVYYENDTVPHMES IEEMYSKYASMNGELPFDNG YAVPLDNVFVYTLDIASGEI KKTRASYIYREKVEKLIEIK LSSGYSLKVTPSHPVLLFRD GLQWVPAAEVKPGDVVVGVR EEVLRRRIISKGELEFHEVS SVRIIDYNNWVYDLVIPETH NFIAPNGLVLHNAQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 PHE 3 3 ALA 4 4 ARG 5 5 ASP 6 6 THR 7 7 GLU 8 8 VAL 9 9 TYR 10 10 TYR 11 11 GLU 12 12 ASN 13 13 ASP 14 14 THR 15 15 VAL 16 16 PRO 17 17 HIS 18 18 MET 19 19 GLU 20 20 SER 21 21 ILE 22 22 GLU 23 23 GLU 24 24 MET 25 25 TYR 26 26 SER 27 27 LYS 28 28 TYR 29 29 ALA 30 30 SER 31 31 MET 32 32 ASN 33 33 GLY 34 34 GLU 35 35 LEU 36 36 PRO 37 37 PHE 38 38 ASP 39 39 ASN 40 40 GLY 41 41 TYR 42 42 ALA 43 43 VAL 44 44 PRO 45 45 LEU 46 46 ASP 47 47 ASN 48 48 VAL 49 49 PHE 50 50 VAL 51 51 TYR 52 52 THR 53 53 LEU 54 54 ASP 55 55 ILE 56 56 ALA 57 57 SER 58 58 GLY 59 59 GLU 60 60 ILE 61 61 LYS 62 62 LYS 63 63 THR 64 64 ARG 65 65 ALA 66 66 SER 67 67 TYR 68 68 ILE 69 69 TYR 70 70 ARG 71 71 GLU 72 72 LYS 73 73 VAL 74 74 GLU 75 75 LYS 76 76 LEU 77 77 ILE 78 78 GLU 79 79 ILE 80 80 LYS 81 81 LEU 82 82 SER 83 83 SER 84 84 GLY 85 85 TYR 86 86 SER 87 87 LEU 88 88 LYS 89 89 VAL 90 90 THR 91 91 PRO 92 92 SER 93 93 HIS 94 94 PRO 95 95 VAL 96 96 LEU 97 97 LEU 98 98 PHE 99 99 ARG 100 100 ASP 101 101 GLY 102 102 LEU 103 103 GLN 104 104 TRP 105 105 VAL 106 106 PRO 107 107 ALA 108 108 ALA 109 109 GLU 110 110 VAL 111 111 LYS 112 112 PRO 113 113 GLY 114 114 ASP 115 115 VAL 116 116 VAL 117 117 VAL 118 118 GLY 119 119 VAL 120 120 ARG 121 121 GLU 122 122 GLU 123 123 VAL 124 124 LEU 125 125 ARG 126 126 ARG 127 127 ARG 128 128 ILE 129 129 ILE 130 130 SER 131 131 LYS 132 132 GLY 133 133 GLU 134 134 LEU 135 135 GLU 136 136 PHE 137 137 HIS 138 138 GLU 139 139 VAL 140 140 SER 141 141 SER 142 142 VAL 143 143 ARG 144 144 ILE 145 145 ILE 146 146 ASP 147 147 TYR 148 148 ASN 149 149 ASN 150 150 TRP 151 151 VAL 152 152 TYR 153 153 ASP 154 154 LEU 155 155 VAL 156 156 ILE 157 157 PRO 158 158 GLU 159 159 THR 160 160 HIS 161 161 ASN 162 162 PHE 163 163 ILE 164 164 ALA 165 165 PRO 166 166 ASN 167 167 GLY 168 168 LEU 169 169 VAL 170 170 LEU 171 171 HIS 172 172 ASN 173 173 ALA 174 174 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2LQM "Solution Structures Of Rada Intein From Pyrococcus Horikoshii" 100.00 174 100.00 100.00 2.84e-122 PDB 4E2T "Crystal Structures Of Rada Intein From Pyrococcus Horikoshii" 100.00 174 100.00 100.00 2.84e-122 DBJ BAA29335 "529aa long hypothetical DNA repair protein [Pyrococcus horikoshii OT3]" 100.00 529 98.85 98.85 1.48e-118 REF WP_048053072 "Pho RadA intein [Pyrococcus horikoshii]" 100.00 526 98.85 98.85 1.36e-118 SP O58001 "RecName: Full=DNA repair and recombination protein RadA; Contains: RecName: Full=Pho RadA intein" 100.00 529 98.85 98.85 1.48e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $PhoRadA_intein euryarchaeotes 70601 Archaea . Pyrococcus 'Pyrococcus horikoshii' 'DNA repair and recombination protein RadA' 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 $PhoRadA_intein 'recombinant technology' . Escherichia coli ER2566 pKRRSF15 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 $PhoRadA_intein 0.4 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 11 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.2 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 5.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 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 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CING _Saveframe_category software _Name CING _Version . loop_ _Vendor _Address _Electronic_address 'Geerten W. Vuister' . . stop_ loop_ _Task 'Structure validation' stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CcpNMR _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version TALOS+ loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNHB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCACO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_intraHNCA_19 _Saveframe_category NMR_applied_experiment _Experiment_name intraHNCA _Sample_label $sample_1 save_ save_HBCBCGCDHD_20 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label $sample_1 save_ save_HBCBCGCDCEHE_21 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCEHE _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 pH 6 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.7 internal direct . other . 1 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' '3D HNCACB' '3D HCCH-COSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'PhoRadA intein' _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 1 1 ALA HA H 4.373 0.002 1 2 1 1 ALA HB H 1.405 0.002 1 3 1 1 ALA C C 173.459 0.300 1 4 1 1 ALA CA C 52.029 0.300 1 5 1 1 ALA CB C 20.981 0.300 1 6 2 2 PHE H H 9.028 0.002 1 7 2 2 PHE HA H 5.594 0.002 1 8 2 2 PHE HB2 H 3.489 0.002 2 9 2 2 PHE HB3 H 2.933 0.002 2 10 2 2 PHE HD1 H 7.436 0.002 3 11 2 2 PHE HD2 H 7.436 0.002 3 12 2 2 PHE HE1 H 7.246 0.002 3 13 2 2 PHE HE2 H 7.246 0.002 3 14 2 2 PHE C C 176.334 0.300 1 15 2 2 PHE CA C 54.534 0.300 1 16 2 2 PHE CB C 42.569 0.300 1 17 2 2 PHE CD2 C 133.313 0.300 3 18 2 2 PHE CE2 C 132.339 0.300 3 19 2 2 PHE N N 115.803 0.300 1 20 3 3 ALA H H 8.153 0.002 1 21 3 3 ALA HA H 4.203 0.002 1 22 3 3 ALA HB H 1.520 0.002 1 23 3 3 ALA C C 179.467 0.300 1 24 3 3 ALA CA C 53.158 0.300 1 25 3 3 ALA CB C 21.790 0.300 1 26 3 3 ALA N N 117.936 0.300 1 27 4 4 ARG H H 8.087 0.002 1 28 4 4 ARG HA H 4.126 0.002 1 29 4 4 ARG HB2 H 2.200 0.002 2 30 4 4 ARG HB3 H 2.096 0.002 2 31 4 4 ARG HG2 H 1.560 0.002 2 32 4 4 ARG HG3 H 2.040 0.002 2 33 4 4 ARG HD2 H 3.310 0.002 2 34 4 4 ARG HD3 H 3.229 0.002 2 35 4 4 ARG C C 172.291 0.300 1 36 4 4 ARG CA C 58.125 0.300 1 37 4 4 ARG CB C 31.551 0.300 1 38 4 4 ARG CG C 26.066 0.300 1 39 4 4 ARG CD C 43.625 0.300 1 40 4 4 ARG N N 117.304 0.300 1 41 5 5 ASP H H 8.575 0.002 1 42 5 5 ASP HA H 4.624 0.002 1 43 5 5 ASP HB2 H 2.978 0.002 2 44 5 5 ASP HB3 H 2.544 0.002 2 45 5 5 ASP C C 176.340 0.300 1 46 5 5 ASP CA C 52.670 0.300 1 47 5 5 ASP CB C 39.353 0.300 1 48 5 5 ASP N N 114.648 0.300 1 49 6 6 THR H H 7.839 0.002 1 50 6 6 THR HA H 3.892 0.002 1 51 6 6 THR HB H 4.110 0.002 1 52 6 6 THR HG2 H 0.831 0.002 1 53 6 6 THR C C 173.480 0.300 1 54 6 6 THR CA C 64.915 0.300 1 55 6 6 THR CB C 69.832 0.300 1 56 6 6 THR CG2 C 19.836 0.300 1 57 6 6 THR N N 119.375 0.300 1 58 7 7 GLU H H 8.486 0.002 1 59 7 7 GLU HA H 4.365 0.002 1 60 7 7 GLU HB2 H 1.883 0.002 2 61 7 7 GLU HB3 H 1.883 0.002 2 62 7 7 GLU HG2 H 2.267 0.002 2 63 7 7 GLU HG3 H 1.993 0.002 2 64 7 7 GLU C C 175.101 0.300 1 65 7 7 GLU CA C 56.940 0.300 1 66 7 7 GLU CB C 30.968 0.300 1 67 7 7 GLU CG C 37.135 0.300 1 68 7 7 GLU N N 129.415 0.300 1 69 8 8 VAL H H 8.822 0.002 1 70 8 8 VAL HA H 4.591 0.002 1 71 8 8 VAL HB H 1.969 0.002 1 72 8 8 VAL HG1 H 0.881 0.002 2 73 8 8 VAL HG2 H 0.833 0.002 2 74 8 8 VAL C C 173.395 0.300 1 75 8 8 VAL CA C 60.165 0.300 1 76 8 8 VAL CB C 35.368 0.300 1 77 8 8 VAL CG1 C 19.286 0.300 2 78 8 8 VAL CG2 C 22.257 0.300 2 79 8 8 VAL N N 115.414 0.300 1 80 9 9 TYR H H 7.022 0.002 1 81 9 9 TYR HA H 5.606 0.002 1 82 9 9 TYR HB2 H 2.586 0.002 2 83 9 9 TYR HB3 H 3.246 0.002 2 84 9 9 TYR HD1 H 7.185 0.002 3 85 9 9 TYR HD2 H 7.185 0.002 3 86 9 9 TYR C C 174.443 0.300 1 87 9 9 TYR CA C 56.104 0.300 1 88 9 9 TYR CB C 41.601 0.300 1 89 9 9 TYR N N 120.860 0.300 1 90 10 10 TYR H H 8.238 0.002 1 91 10 10 TYR HA H 5.107 0.002 1 92 10 10 TYR HB2 H 2.837 0.002 2 93 10 10 TYR HB3 H 2.620 0.002 2 94 10 10 TYR HD1 H 6.648 0.002 3 95 10 10 TYR HD2 H 6.648 0.002 3 96 10 10 TYR HE1 H 6.449 0.002 3 97 10 10 TYR HE2 H 6.449 0.002 3 98 10 10 TYR C C 171.645 0.300 1 99 10 10 TYR CA C 55.883 0.300 1 100 10 10 TYR CB C 39.757 0.300 1 101 10 10 TYR CE2 C 117.653 0.300 3 102 10 10 TYR N N 123.826 0.300 1 103 11 11 GLU H H 9.475 0.002 1 104 11 11 GLU HA H 5.202 0.002 1 105 11 11 GLU HB2 H 1.805 0.002 2 106 11 11 GLU HB3 H 1.638 0.002 2 107 11 11 GLU HG2 H 2.092 0.002 2 108 11 11 GLU HG3 H 1.871 0.002 2 109 11 11 GLU C C 175.621 0.300 1 110 11 11 GLU CA C 53.583 0.300 1 111 11 11 GLU CB C 33.741 0.300 1 112 11 11 GLU CG C 35.772 0.300 1 113 11 11 GLU N N 117.049 0.300 1 114 12 12 ASN H H 8.557 0.002 1 115 12 12 ASN HA H 5.083 0.002 1 116 12 12 ASN HB2 H 3.199 0.002 2 117 12 12 ASN HB3 H 2.689 0.002 2 118 12 12 ASN HD21 H 7.574 0.002 2 119 12 12 ASN HD22 H 6.790 0.002 2 120 12 12 ASN C C 178.865 0.300 1 121 12 12 ASN CA C 54.681 0.300 1 122 12 12 ASN CB C 42.562 0.300 1 123 12 12 ASN N N 124.309 0.300 1 124 12 12 ASN ND2 N 111.017 0.300 1 125 13 13 ASP H H 9.156 0.002 1 126 13 13 ASP HA H 4.196 0.002 1 127 13 13 ASP HB2 H 2.563 0.002 2 128 13 13 ASP HB3 H 2.742 0.002 2 129 13 13 ASP CA C 53.719 0.300 1 130 13 13 ASP CB C 40.520 0.300 1 131 13 13 ASP N N 118.202 0.300 1 132 14 14 THR HA H 4.447 0.002 1 133 14 14 THR HB H 4.109 0.002 1 134 14 14 THR HG2 H 1.027 0.002 1 135 14 14 THR C C 173.920 0.300 1 136 14 14 THR CA C 61.183 0.300 1 137 14 14 THR CB C 70.379 0.300 1 138 14 14 THR CG2 C 22.213 0.300 1 139 15 15 VAL H H 8.813 0.002 1 140 15 15 VAL HA H 4.418 0.002 1 141 15 15 VAL HB H 2.065 0.002 1 142 15 15 VAL HG1 H 0.829 0.002 2 143 15 15 VAL HG2 H 0.688 0.002 2 144 15 15 VAL C C 173.932 0.300 1 145 15 15 VAL CA C 59.552 0.300 1 146 15 15 VAL CB C 33.700 0.300 1 147 15 15 VAL CG1 C 20.819 0.300 2 148 15 15 VAL CG2 C 20.983 0.300 2 149 15 15 VAL N N 123.244 0.300 1 150 16 16 PRO HA H 4.415 0.002 1 151 16 16 PRO HB2 H 2.275 0.002 2 152 16 16 PRO HB3 H 1.644 0.002 2 153 16 16 PRO HG2 H 1.926 0.002 2 154 16 16 PRO HG3 H 1.846 0.002 2 155 16 16 PRO HD2 H 3.704 0.002 2 156 16 16 PRO HD3 H 3.552 0.002 2 157 16 16 PRO C C 175.734 0.300 1 158 16 16 PRO CA C 62.178 0.300 1 159 16 16 PRO CB C 33.102 0.300 1 160 16 16 PRO CG C 27.062 0.300 1 161 16 16 PRO CD C 51.003 0.300 1 162 17 17 HIS H H 8.403 0.002 1 163 17 17 HIS HA H 4.254 0.002 1 164 17 17 HIS HB2 H 2.139 0.002 2 165 17 17 HIS HB3 H 1.152 0.002 2 166 17 17 HIS HD2 H 6.693 0.002 1 167 17 17 HIS C C 172.199 0.300 1 168 17 17 HIS CA C 54.860 0.300 1 169 17 17 HIS CB C 31.029 0.300 1 170 17 17 HIS CD2 C 117.629 0.300 1 171 17 17 HIS N N 118.014 0.300 1 172 18 18 MET H H 8.018 0.002 1 173 18 18 MET HA H 5.456 0.002 1 174 18 18 MET HB2 H 2.039 0.002 2 175 18 18 MET HB3 H 1.965 0.002 2 176 18 18 MET HG2 H 2.536 0.002 2 177 18 18 MET HG3 H 2.536 0.002 2 178 18 18 MET HE H 2.030 0.002 1 179 18 18 MET C C 174.777 0.300 1 180 18 18 MET CA C 55.153 0.300 1 181 18 18 MET CB C 34.844 0.300 1 182 18 18 MET CG C 32.957 0.300 1 183 18 18 MET CE C 17.439 0.300 1 184 18 18 MET N N 120.500 0.300 1 185 19 19 GLU H H 8.171 0.002 1 186 19 19 GLU HA H 4.818 0.002 1 187 19 19 GLU HB2 H 2.393 0.002 2 188 19 19 GLU HB3 H 1.945 0.002 2 189 19 19 GLU HG2 H 2.297 0.002 2 190 19 19 GLU HG3 H 1.993 0.002 2 191 19 19 GLU C C 174.613 0.300 1 192 19 19 GLU CA C 54.070 0.300 1 193 19 19 GLU CB C 31.905 0.300 1 194 19 19 GLU CG C 33.787 0.300 1 195 19 19 GLU N N 119.849 0.300 1 196 20 20 SER H H 8.758 0.002 1 197 20 20 SER HA H 4.633 0.002 1 198 20 20 SER HB2 H 4.307 0.002 2 199 20 20 SER HB3 H 4.056 0.002 2 200 20 20 SER C C 176.247 0.300 1 201 20 20 SER CA C 58.311 0.300 1 202 20 20 SER CB C 64.446 0.300 1 203 20 20 SER N N 115.550 0.300 1 204 21 21 ILE H H 8.835 0.002 1 205 21 21 ILE HA H 4.077 0.002 1 206 21 21 ILE HB H 1.785 0.002 1 207 21 21 ILE HG12 H 1.365 0.002 2 208 21 21 ILE HG13 H 1.165 0.002 2 209 21 21 ILE HG2 H 0.803 0.002 1 210 21 21 ILE HD1 H 1.008 0.002 1 211 21 21 ILE C C 175.552 0.300 1 212 21 21 ILE CA C 60.815 0.300 1 213 21 21 ILE CB C 38.198 0.300 1 214 21 21 ILE CG1 C 28.218 0.300 1 215 21 21 ILE CG2 C 19.252 0.300 1 216 21 21 ILE CD1 C 15.932 0.300 1 217 21 21 ILE N N 121.052 0.300 1 218 22 22 GLU H H 7.234 0.002 1 219 22 22 GLU HA H 3.592 0.002 1 220 22 22 GLU HB2 H 1.972 0.002 2 221 22 22 GLU HB3 H 1.735 0.002 2 222 22 22 GLU HG2 H 2.181 0.002 2 223 22 22 GLU HG3 H 2.124 0.002 2 224 22 22 GLU C C 178.128 0.300 1 225 22 22 GLU CA C 59.058 0.300 1 226 22 22 GLU CB C 29.760 0.300 1 227 22 22 GLU CG C 35.353 0.300 1 228 22 22 GLU N N 120.365 0.300 1 229 23 23 GLU H H 7.569 0.002 1 230 23 23 GLU HA H 3.969 0.002 1 231 23 23 GLU HB2 H 2.182 0.002 2 232 23 23 GLU HB3 H 1.955 0.002 2 233 23 23 GLU HG2 H 2.195 0.002 2 234 23 23 GLU HG3 H 2.195 0.002 2 235 23 23 GLU C C 178.824 0.300 1 236 23 23 GLU CA C 59.207 0.300 1 237 23 23 GLU CB C 29.233 0.300 1 238 23 23 GLU CG C 36.998 0.300 1 239 23 23 GLU N N 123.307 0.300 1 240 24 24 MET H H 8.068 0.002 1 241 24 24 MET HA H 3.897 0.002 1 242 24 24 MET HB2 H 1.921 0.002 2 243 24 24 MET HB3 H 2.091 0.002 2 244 24 24 MET HG2 H 2.240 0.002 2 245 24 24 MET HG3 H 2.240 0.002 2 246 24 24 MET HE H 0.470 0.002 1 247 24 24 MET C C 177.832 0.300 1 248 24 24 MET CA C 60.181 0.300 1 249 24 24 MET CB C 32.355 0.300 1 250 24 24 MET CG C 32.372 0.300 1 251 24 24 MET CE C 17.424 0.300 1 252 24 24 MET N N 122.370 0.300 1 253 25 25 TYR H H 8.677 0.002 1 254 25 25 TYR HA H 3.698 0.002 1 255 25 25 TYR HB2 H 3.179 0.002 2 256 25 25 TYR HB3 H 2.787 0.002 2 257 25 25 TYR HD1 H 6.845 0.002 3 258 25 25 TYR HD2 H 6.845 0.002 3 259 25 25 TYR HE1 H 6.692 0.002 3 260 25 25 TYR HE2 H 6.692 0.002 3 261 25 25 TYR C C 176.770 0.300 1 262 25 25 TYR CA C 62.577 0.300 1 263 25 25 TYR CB C 39.512 0.300 1 264 25 25 TYR CE1 C 118.043 0.300 3 265 25 25 TYR N N 118.892 0.300 1 266 26 26 SER H H 8.145 0.002 1 267 26 26 SER HA H 4.006 0.002 1 268 26 26 SER HB2 H 3.888 0.002 2 269 26 26 SER HB3 H 3.863 0.002 2 270 26 26 SER C C 177.237 0.300 1 271 26 26 SER CA C 61.683 0.300 1 272 26 26 SER CB C 62.995 0.300 1 273 26 26 SER N N 112.843 0.300 1 274 27 27 LYS H H 7.801 0.002 1 275 27 27 LYS HA H 3.806 0.002 1 276 27 27 LYS HB2 H 1.702 0.002 2 277 27 27 LYS HB3 H 1.555 0.002 2 278 27 27 LYS HG2 H 0.580 0.002 2 279 27 27 LYS HG3 H 1.162 0.002 2 280 27 27 LYS HD2 H 1.474 0.002 2 281 27 27 LYS HD3 H 1.344 0.002 2 282 27 27 LYS HE2 H 2.559 0.002 2 283 27 27 LYS HE3 H 2.559 0.002 2 284 27 27 LYS C C 179.315 0.300 1 285 27 27 LYS CA C 59.341 0.300 1 286 27 27 LYS CB C 32.216 0.300 1 287 27 27 LYS CG C 24.377 0.300 1 288 27 27 LYS CD C 29.458 0.300 1 289 27 27 LYS CE C 41.883 0.300 1 290 27 27 LYS N N 121.857 0.300 1 291 28 28 TYR H H 7.996 0.002 1 292 28 28 TYR HA H 3.974 0.002 1 293 28 28 TYR HB2 H 2.659 0.002 2 294 28 28 TYR HB3 H 2.313 0.002 2 295 28 28 TYR HD1 H 7.077 0.002 3 296 28 28 TYR HD2 H 7.077 0.002 3 297 28 28 TYR HE1 H 6.896 0.002 3 298 28 28 TYR HE2 H 6.896 0.002 3 299 28 28 TYR C C 178.072 0.300 1 300 28 28 TYR CA C 63.495 0.300 1 301 28 28 TYR CB C 37.825 0.300 1 302 28 28 TYR CE1 C 118.838 0.300 3 303 28 28 TYR N N 117.347 0.300 1 304 29 29 ALA H H 9.434 0.002 1 305 29 29 ALA HA H 3.791 0.002 1 306 29 29 ALA HB H 0.992 0.002 1 307 29 29 ALA C C 181.180 0.300 1 308 29 29 ALA CA C 55.167 0.300 1 309 29 29 ALA CB C 17.622 0.300 1 310 29 29 ALA N N 126.231 0.300 1 311 30 30 SER H H 7.204 0.002 1 312 30 30 SER HA H 4.062 0.002 1 313 30 30 SER HB2 H 3.836 0.002 2 314 30 30 SER HB3 H 4.035 0.002 2 315 30 30 SER C C 174.893 0.300 1 316 30 30 SER CA C 61.078 0.300 1 317 30 30 SER CB C 62.944 0.300 1 318 30 30 SER N N 111.894 0.300 1 319 31 31 MET H H 6.932 0.002 1 320 31 31 MET HA H 4.210 0.002 1 321 31 31 MET HB2 H 1.956 0.002 2 322 31 31 MET HB3 H 1.822 0.002 2 323 31 31 MET HG2 H 2.421 0.002 2 324 31 31 MET HG3 H 2.377 0.002 2 325 31 31 MET HE H 1.732 0.002 1 326 31 31 MET C C 176.955 0.300 1 327 31 31 MET CA C 58.001 0.300 1 328 31 31 MET CB C 35.017 0.300 1 329 31 31 MET CG C 31.171 0.300 1 330 31 31 MET CE C 16.570 0.300 1 331 31 31 MET N N 118.043 0.300 1 332 32 32 ASN H H 8.651 0.002 1 333 32 32 ASN HA H 4.787 0.002 1 334 32 32 ASN HB2 H 2.769 0.002 2 335 32 32 ASN HB3 H 2.845 0.002 2 336 32 32 ASN HD21 H 7.594 0.002 2 337 32 32 ASN HD22 H 6.954 0.002 2 338 32 32 ASN C C 176.257 0.300 1 339 32 32 ASN CA C 53.266 0.300 1 340 32 32 ASN CB C 39.912 0.300 1 341 32 32 ASN N N 115.159 0.300 1 342 32 32 ASN ND2 N 108.953 0.300 1 343 33 33 GLY H H 7.592 0.002 1 344 33 33 GLY HA2 H 4.200 0.002 2 345 33 33 GLY HA3 H 3.735 0.002 2 346 33 33 GLY C C 169.958 0.300 1 347 33 33 GLY CA C 44.388 0.300 1 348 33 33 GLY N N 110.477 0.300 1 349 34 34 GLU H H 7.595 0.002 1 350 34 34 GLU HA H 5.028 0.002 1 351 34 34 GLU HB2 H 1.709 0.002 2 352 34 34 GLU HB3 H 1.709 0.002 2 353 34 34 GLU HG2 H 1.980 0.002 2 354 34 34 GLU HG3 H 1.980 0.002 2 355 34 34 GLU C C 175.936 0.300 1 356 34 34 GLU CA C 54.112 0.300 1 357 34 34 GLU CB C 34.125 0.300 1 358 34 34 GLU CG C 36.377 0.300 1 359 34 34 GLU N N 113.563 0.300 1 360 35 35 LEU H H 9.367 0.002 1 361 35 35 LEU HA H 5.102 0.002 1 362 35 35 LEU HB2 H 1.583 0.002 2 363 35 35 LEU HB3 H 1.647 0.002 2 364 35 35 LEU HG H 1.675 0.002 1 365 35 35 LEU HD1 H 0.851 0.002 2 366 35 35 LEU HD2 H 0.902 0.002 2 367 35 35 LEU C C 174.253 0.300 1 368 35 35 LEU CA C 52.102 0.300 1 369 35 35 LEU CB C 43.977 0.300 1 370 35 35 LEU CG C 26.745 0.300 1 371 35 35 LEU CD1 C 25.481 0.300 2 372 35 35 LEU CD2 C 24.209 0.300 2 373 35 35 LEU N N 125.347 0.300 1 374 36 36 PRO HA H 4.371 0.002 1 375 36 36 PRO HB2 H 2.105 0.002 2 376 36 36 PRO HB3 H 1.821 0.002 2 377 36 36 PRO HG2 H 2.021 0.002 2 378 36 36 PRO HG3 H 2.177 0.002 2 379 36 36 PRO HD2 H 3.965 0.002 2 380 36 36 PRO HD3 H 3.705 0.002 2 381 36 36 PRO C C 176.558 0.300 1 382 36 36 PRO CA C 63.039 0.300 1 383 36 36 PRO CB C 31.452 0.300 1 384 36 36 PRO CG C 27.890 0.300 1 385 36 36 PRO CD C 50.466 0.300 1 386 37 37 PHE H H 8.238 0.002 1 387 37 37 PHE HA H 4.288 0.002 1 388 37 37 PHE HB2 H 2.742 0.002 2 389 37 37 PHE HB3 H 2.704 0.002 2 390 37 37 PHE HD1 H 7.001 0.002 3 391 37 37 PHE HD2 H 7.001 0.002 3 392 37 37 PHE C C 173.457 0.300 1 393 37 37 PHE CA C 57.970 0.300 1 394 37 37 PHE CB C 43.043 0.300 1 395 37 37 PHE N N 126.409 0.300 1 396 38 38 ASP H H 8.458 0.002 1 397 38 38 ASP HA H 3.798 0.002 1 398 38 38 ASP HB2 H 2.229 0.002 2 399 38 38 ASP HB3 H 2.668 0.002 2 400 38 38 ASP C C 175.643 0.300 1 401 38 38 ASP CA C 56.400 0.300 1 402 38 38 ASP CB C 39.306 0.300 1 403 38 38 ASP N N 127.811 0.300 1 404 39 39 ASN H H 7.967 0.002 1 405 39 39 ASN HA H 4.937 0.002 1 406 39 39 ASN HB2 H 2.938 0.002 2 407 39 39 ASN HB3 H 2.545 0.002 2 408 39 39 ASN HD21 H 7.623 0.002 2 409 39 39 ASN HD22 H 6.728 0.002 2 410 39 39 ASN C C 174.420 0.300 1 411 39 39 ASN CA C 53.242 0.300 1 412 39 39 ASN CB C 39.184 0.300 1 413 39 39 ASN CG C 177.875 0.300 1 414 39 39 ASN N N 121.911 0.300 1 415 39 39 ASN ND2 N 114.186 0.300 1 416 40 40 GLY H H 8.536 0.002 1 417 40 40 GLY HA2 H 4.335 0.002 2 418 40 40 GLY HA3 H 4.140 0.002 2 419 40 40 GLY C C 172.869 0.300 1 420 40 40 GLY CA C 45.774 0.300 1 421 40 40 GLY N N 110.954 0.300 1 422 41 41 TYR H H 8.745 0.002 1 423 41 41 TYR HA H 5.242 0.002 1 424 41 41 TYR HB2 H 2.789 0.002 2 425 41 41 TYR HB3 H 2.398 0.002 2 426 41 41 TYR HD1 H 6.686 0.002 3 427 41 41 TYR HD2 H 6.686 0.002 3 428 41 41 TYR HE1 H 6.616 0.002 3 429 41 41 TYR HE2 H 6.616 0.002 3 430 41 41 TYR C C 172.543 0.300 1 431 41 41 TYR CA C 57.343 0.300 1 432 41 41 TYR CB C 44.523 0.300 1 433 41 41 TYR CE1 C 117.877 0.300 3 434 41 41 TYR N N 126.116 0.300 1 435 42 42 ALA H H 9.509 0.002 1 436 42 42 ALA HA H 5.957 0.002 1 437 42 42 ALA HB H 0.933 0.002 1 438 42 42 ALA C C 176.157 0.300 1 439 42 42 ALA CA C 50.071 0.300 1 440 42 42 ALA CB C 24.628 0.300 1 441 42 42 ALA N N 120.696 0.300 1 442 43 43 VAL H H 9.009 0.002 1 443 43 43 VAL HA H 4.808 0.002 1 444 43 43 VAL HB H 1.456 0.002 1 445 43 43 VAL HG1 H 0.644 0.002 2 446 43 43 VAL HG2 H 0.328 0.002 2 447 43 43 VAL C C 174.184 0.300 1 448 43 43 VAL CA C 57.765 0.300 1 449 43 43 VAL CB C 35.832 0.300 1 450 43 43 VAL CG1 C 20.308 0.300 2 451 43 43 VAL CG2 C 20.873 0.300 2 452 43 43 VAL N N 120.797 0.300 1 453 44 44 PRO HA H 4.293 0.002 1 454 44 44 PRO HB2 H 2.038 0.002 2 455 44 44 PRO HB3 H 1.778 0.002 2 456 44 44 PRO HG2 H 1.927 0.002 2 457 44 44 PRO HG3 H 1.856 0.002 2 458 44 44 PRO HD2 H 3.705 0.002 2 459 44 44 PRO HD3 H 3.705 0.002 2 460 44 44 PRO C C 175.112 0.300 1 461 44 44 PRO CA C 62.372 0.300 1 462 44 44 PRO CB C 32.388 0.300 1 463 44 44 PRO CG C 27.005 0.300 1 464 44 44 PRO CD C 50.911 0.300 1 465 45 45 LEU H H 7.239 0.002 1 466 45 45 LEU HA H 4.105 0.002 1 467 45 45 LEU HB2 H 1.252 0.002 2 468 45 45 LEU HB3 H 0.500 0.002 2 469 45 45 LEU HG H 1.169 0.002 1 470 45 45 LEU HD1 H -0.192 0.002 2 471 45 45 LEU HD2 H 0.005 0.002 2 472 45 45 LEU C C 175.115 0.300 1 473 45 45 LEU CA C 53.075 0.300 1 474 45 45 LEU CB C 44.323 0.300 1 475 45 45 LEU CG C 25.841 0.300 1 476 45 45 LEU CD1 C 22.298 0.300 2 477 45 45 LEU CD2 C 25.827 0.300 2 478 45 45 LEU N N 117.422 0.300 1 479 46 46 ASP H H 7.998 0.002 1 480 46 46 ASP HA H 4.648 0.002 1 481 46 46 ASP HB2 H 2.474 0.002 2 482 46 46 ASP HB3 H 2.436 0.002 2 483 46 46 ASP C C 175.048 0.300 1 484 46 46 ASP CA C 53.397 0.300 1 485 46 46 ASP CB C 43.053 0.300 1 486 46 46 ASP N N 120.030 0.300 1 487 47 47 ASN H H 8.182 0.002 1 488 47 47 ASN HA H 4.027 0.002 1 489 47 47 ASN HB2 H 2.968 0.002 2 490 47 47 ASN HB3 H 2.730 0.002 2 491 47 47 ASN HD21 H 7.611 0.002 2 492 47 47 ASN HD22 H 6.791 0.002 2 493 47 47 ASN C C 172.880 0.300 1 494 47 47 ASN CA C 54.059 0.300 1 495 47 47 ASN CB C 38.245 0.300 1 496 47 47 ASN CG C 177.728 0.300 1 497 47 47 ASN N N 120.126 0.300 1 498 47 47 ASN ND2 N 113.644 0.300 1 499 48 48 VAL H H 7.875 0.002 1 500 48 48 VAL HA H 4.513 0.002 1 501 48 48 VAL HB H 1.320 0.002 1 502 48 48 VAL HG1 H 0.355 0.002 2 503 48 48 VAL HG2 H 0.388 0.002 2 504 48 48 VAL C C 174.644 0.300 1 505 48 48 VAL CA C 62.134 0.300 1 506 48 48 VAL CB C 32.769 0.300 1 507 48 48 VAL CG1 C 21.547 0.300 2 508 48 48 VAL CG2 C 21.973 0.300 2 509 48 48 VAL N N 118.757 0.300 1 510 49 49 PHE H H 9.091 0.002 1 511 49 49 PHE HA H 5.141 0.002 1 512 49 49 PHE HB2 H 2.614 0.002 2 513 49 49 PHE HB3 H 2.614 0.002 2 514 49 49 PHE HD1 H 6.946 0.002 3 515 49 49 PHE HD2 H 6.946 0.002 3 516 49 49 PHE C C 174.588 0.300 1 517 49 49 PHE CA C 56.307 0.300 1 518 49 49 PHE CB C 42.885 0.300 1 519 49 49 PHE N N 125.701 0.300 1 520 50 50 VAL H H 8.945 0.002 1 521 50 50 VAL HA H 4.792 0.002 1 522 50 50 VAL HB H 2.933 0.002 1 523 50 50 VAL HG1 H 0.773 0.002 2 524 50 50 VAL HG2 H 0.625 0.002 2 525 50 50 VAL C C 175.105 0.300 1 526 50 50 VAL CA C 58.748 0.300 1 527 50 50 VAL CB C 34.786 0.300 1 528 50 50 VAL CG1 C 21.251 0.300 2 529 50 50 VAL CG2 C 18.779 0.300 2 530 50 50 VAL N N 111.497 0.300 1 531 51 51 TYR H H 9.307 0.002 1 532 51 51 TYR HA H 5.153 0.002 1 533 51 51 TYR HB2 H 2.654 0.002 2 534 51 51 TYR HB3 H 2.583 0.002 2 535 51 51 TYR HD1 H 6.904 0.002 3 536 51 51 TYR HD2 H 6.904 0.002 3 537 51 51 TYR HE1 H 6.685 0.002 3 538 51 51 TYR HE2 H 6.685 0.002 3 539 51 51 TYR C C 174.963 0.300 1 540 51 51 TYR CA C 58.434 0.300 1 541 51 51 TYR CB C 40.458 0.300 1 542 51 51 TYR CE1 C 117.947 0.300 3 543 51 51 TYR N N 118.900 0.300 1 544 52 52 THR H H 9.094 0.002 1 545 52 52 THR HA H 4.646 0.002 1 546 52 52 THR HB H 3.807 0.002 1 547 52 52 THR HG2 H 0.911 0.002 1 548 52 52 THR C C 170.084 0.300 1 549 52 52 THR CA C 59.514 0.300 1 550 52 52 THR CB C 70.842 0.300 1 551 52 52 THR CG2 C 19.297 0.300 1 552 52 52 THR N N 115.444 0.300 1 553 53 53 LEU H H 8.769 0.002 1 554 53 53 LEU HA H 4.849 0.002 1 555 53 53 LEU HB2 H 0.906 0.002 2 556 53 53 LEU HB3 H 1.745 0.002 2 557 53 53 LEU HG H 1.012 0.002 1 558 53 53 LEU HD1 H 0.499 0.002 2 559 53 53 LEU HD2 H 0.519 0.002 2 560 53 53 LEU C C 175.438 0.300 1 561 53 53 LEU CA C 53.344 0.300 1 562 53 53 LEU CB C 45.361 0.300 1 563 53 53 LEU CG C 27.328 0.300 1 564 53 53 LEU CD1 C 22.948 0.300 2 565 53 53 LEU CD2 C 26.804 0.300 2 566 53 53 LEU N N 128.005 0.300 1 567 54 54 ASP H H 8.862 0.002 1 568 54 54 ASP HA H 4.803 0.002 1 569 54 54 ASP HB2 H 3.176 0.002 2 570 54 54 ASP HB3 H 2.223 0.002 2 571 54 54 ASP C C 176.380 0.300 1 572 54 54 ASP CA C 52.635 0.300 1 573 54 54 ASP CB C 41.425 0.300 1 574 54 54 ASP N N 127.245 0.300 1 575 55 55 ILE H H 8.411 0.002 1 576 55 55 ILE HA H 3.550 0.002 1 577 55 55 ILE HB H 1.899 0.002 1 578 55 55 ILE HG12 H 1.510 0.002 2 579 55 55 ILE HG13 H 1.292 0.002 2 580 55 55 ILE HG2 H 0.855 0.002 1 581 55 55 ILE HD1 H 0.767 0.002 1 582 55 55 ILE C C 176.745 0.300 1 583 55 55 ILE CA C 64.418 0.300 1 584 55 55 ILE CB C 37.910 0.300 1 585 55 55 ILE CG1 C 27.710 0.300 1 586 55 55 ILE CG2 C 17.672 0.300 1 587 55 55 ILE CD1 C 13.546 0.300 1 588 55 55 ILE N N 123.723 0.300 1 589 56 56 ALA H H 8.176 0.002 1 590 56 56 ALA HA H 4.197 0.002 1 591 56 56 ALA HB H 1.459 0.002 1 592 56 56 ALA C C 178.897 0.300 1 593 56 56 ALA CA C 54.531 0.300 1 594 56 56 ALA CB C 18.680 0.300 1 595 56 56 ALA N N 122.180 0.300 1 596 57 57 SER H H 7.524 0.002 1 597 57 57 SER HA H 4.494 0.002 1 598 57 57 SER HB2 H 3.907 0.002 2 599 57 57 SER HB3 H 3.698 0.002 2 600 57 57 SER C C 176.008 0.300 1 601 57 57 SER CA C 58.195 0.300 1 602 57 57 SER CB C 65.489 0.300 1 603 57 57 SER N N 109.857 0.300 1 604 58 58 GLY H H 8.529 0.002 1 605 58 58 GLY HA2 H 4.123 0.002 2 606 58 58 GLY HA3 H 3.457 0.002 2 607 58 58 GLY C C 173.226 0.300 1 608 58 58 GLY CA C 45.959 0.300 1 609 58 58 GLY N N 113.073 0.300 1 610 59 59 GLU H H 7.716 0.002 1 611 59 59 GLU HA H 4.358 0.002 1 612 59 59 GLU HB2 H 1.845 0.002 2 613 59 59 GLU HB3 H 1.761 0.002 2 614 59 59 GLU HG2 H 1.991 0.002 2 615 59 59 GLU HG3 H 2.141 0.002 2 616 59 59 GLU C C 175.149 0.300 1 617 59 59 GLU CA C 56.564 0.300 1 618 59 59 GLU CB C 32.141 0.300 1 619 59 59 GLU CG C 36.943 0.300 1 620 59 59 GLU N N 119.049 0.300 1 621 60 60 ILE H H 8.270 0.002 1 622 60 60 ILE HA H 5.020 0.002 1 623 60 60 ILE HB H 1.622 0.002 1 624 60 60 ILE HG12 H 1.454 0.002 2 625 60 60 ILE HG13 H 0.862 0.002 2 626 60 60 ILE HG2 H 0.756 0.002 1 627 60 60 ILE HD1 H 0.641 0.002 1 628 60 60 ILE C C 175.430 0.300 1 629 60 60 ILE CA C 59.819 0.300 1 630 60 60 ILE CB C 38.821 0.300 1 631 60 60 ILE CG1 C 28.064 0.300 1 632 60 60 ILE CG2 C 17.938 0.300 1 633 60 60 ILE CD1 C 14.291 0.300 1 634 60 60 ILE N N 123.022 0.300 1 635 61 61 LYS H H 8.608 0.002 1 636 61 61 LYS HA H 4.784 0.002 1 637 61 61 LYS HB2 H 1.773 0.002 2 638 61 61 LYS HB3 H 1.611 0.002 2 639 61 61 LYS HG2 H 1.230 0.002 2 640 61 61 LYS HG3 H 1.014 0.002 2 641 61 61 LYS HD2 H 1.535 0.002 2 642 61 61 LYS HD3 H 1.535 0.002 2 643 61 61 LYS HE2 H 2.763 0.002 2 644 61 61 LYS HE3 H 2.763 0.002 2 645 61 61 LYS C C 173.959 0.300 1 646 61 61 LYS CA C 54.059 0.300 1 647 61 61 LYS CB C 35.950 0.300 1 648 61 61 LYS CG C 24.045 0.300 1 649 61 61 LYS CD C 29.476 0.300 1 650 61 61 LYS CE C 42.067 0.300 1 651 61 61 LYS N N 123.337 0.300 1 652 62 62 LYS H H 8.377 0.002 1 653 62 62 LYS HA H 5.009 0.002 1 654 62 62 LYS HB2 H 1.415 0.002 2 655 62 62 LYS HB3 H 1.347 0.002 2 656 62 62 LYS HG2 H 0.799 0.002 2 657 62 62 LYS HG3 H 0.721 0.002 2 658 62 62 LYS HD2 H 1.153 0.002 2 659 62 62 LYS HD3 H 1.153 0.002 2 660 62 62 LYS HE2 H 2.326 0.002 2 661 62 62 LYS HE3 H 2.396 0.002 2 662 62 62 LYS C C 176.663 0.300 1 663 62 62 LYS CA C 55.296 0.300 1 664 62 62 LYS CB C 34.274 0.300 1 665 62 62 LYS CG C 25.414 0.300 1 666 62 62 LYS CD C 29.241 0.300 1 667 62 62 LYS CE C 41.320 0.300 1 668 62 62 LYS N N 120.975 0.300 1 669 63 63 THR H H 9.161 0.002 1 670 63 63 THR HA H 4.789 0.002 1 671 63 63 THR HB H 3.722 0.002 1 672 63 63 THR HG2 H 0.927 0.002 1 673 63 63 THR C C 171.618 0.300 1 674 63 63 THR CA C 60.560 0.300 1 675 63 63 THR CB C 70.354 0.300 1 676 63 63 THR CG2 C 20.448 0.300 1 677 63 63 THR N N 119.210 0.300 1 678 64 64 ARG H H 7.681 0.002 1 679 64 64 ARG HA H 4.334 0.002 1 680 64 64 ARG HB2 H 1.442 0.002 2 681 64 64 ARG HB3 H 1.442 0.002 2 682 64 64 ARG HG2 H 0.923 0.002 2 683 64 64 ARG HG3 H 1.224 0.002 2 684 64 64 ARG HD2 H 2.904 0.002 2 685 64 64 ARG HD3 H 2.946 0.002 2 686 64 64 ARG C C 176.315 0.300 1 687 64 64 ARG CA C 56.264 0.300 1 688 64 64 ARG CB C 31.797 0.300 1 689 64 64 ARG CG C 28.067 0.300 1 690 64 64 ARG CD C 43.135 0.300 1 691 64 64 ARG N N 123.382 0.300 1 692 65 65 ALA H H 7.712 0.002 1 693 65 65 ALA HA H 4.729 0.002 1 694 65 65 ALA HB H 0.687 0.002 1 695 65 65 ALA C C 176.171 0.300 1 696 65 65 ALA CA C 50.258 0.300 1 697 65 65 ALA CB C 20.725 0.300 1 698 65 65 ALA N N 123.625 0.300 1 699 66 66 SER H H 8.722 0.002 1 700 66 66 SER HA H 4.431 0.002 1 701 66 66 SER HB2 H 3.512 0.002 2 702 66 66 SER HB3 H 3.611 0.002 2 703 66 66 SER C C 174.716 0.300 1 704 66 66 SER CA C 59.415 0.300 1 705 66 66 SER CB C 64.509 0.300 1 706 66 66 SER N N 114.972 0.300 1 707 67 67 TYR H H 6.904 0.002 1 708 67 67 TYR HA H 5.009 0.002 1 709 67 67 TYR HB2 H 2.454 0.002 2 710 67 67 TYR HB3 H 2.954 0.002 2 711 67 67 TYR HD1 H 6.737 0.002 3 712 67 67 TYR HD2 H 6.737 0.002 3 713 67 67 TYR HE1 H 6.516 0.002 3 714 67 67 TYR HE2 H 6.516 0.002 3 715 67 67 TYR C C 172.925 0.300 1 716 67 67 TYR CA C 56.689 0.300 1 717 67 67 TYR CB C 41.056 0.300 1 718 67 67 TYR CD2 C 133.230 0.300 3 719 67 67 TYR CE2 C 117.756 0.300 3 720 67 67 TYR N N 114.592 0.300 1 721 68 68 ILE H H 8.740 0.002 1 722 68 68 ILE HA H 5.028 0.002 1 723 68 68 ILE HB H 1.726 0.002 1 724 68 68 ILE HG12 H 0.897 0.002 2 725 68 68 ILE HG13 H 1.612 0.002 2 726 68 68 ILE HG2 H 1.283 0.002 1 727 68 68 ILE HD1 H 0.732 0.002 1 728 68 68 ILE C C 173.774 0.300 1 729 68 68 ILE CA C 59.757 0.300 1 730 68 68 ILE CB C 40.456 0.300 1 731 68 68 ILE CG1 C 27.800 0.300 1 732 68 68 ILE CG2 C 20.391 0.300 1 733 68 68 ILE CD1 C 14.271 0.300 1 734 68 68 ILE N N 118.500 0.300 1 735 69 69 TYR H H 9.214 0.002 1 736 69 69 TYR HA H 5.947 0.002 1 737 69 69 TYR HB2 H 2.956 0.002 2 738 69 69 TYR HB3 H 2.583 0.002 2 739 69 69 TYR HD1 H 7.051 0.002 3 740 69 69 TYR HD2 H 7.051 0.002 3 741 69 69 TYR HE1 H 6.854 0.002 3 742 69 69 TYR HE2 H 6.854 0.002 3 743 69 69 TYR C C 173.785 0.300 1 744 69 69 TYR CA C 55.555 0.300 1 745 69 69 TYR CB C 43.769 0.300 1 746 69 69 TYR CE2 C 118.833 0.300 3 747 69 69 TYR N N 128.743 0.300 1 748 70 70 ARG H H 8.670 0.002 1 749 70 70 ARG HA H 5.215 0.002 1 750 70 70 ARG HB2 H 0.623 0.002 2 751 70 70 ARG HB3 H 0.609 0.002 2 752 70 70 ARG HG2 H 0.555 0.002 2 753 70 70 ARG HG3 H 1.030 0.002 2 754 70 70 ARG C C 172.672 0.300 1 755 70 70 ARG CA C 53.893 0.300 1 756 70 70 ARG CB C 34.568 0.300 1 757 70 70 ARG CD C 43.875 0.300 1 758 70 70 ARG N N 122.730 0.300 1 759 71 71 GLU H H 8.130 0.002 1 760 71 71 GLU HA H 4.787 0.002 1 761 71 71 GLU HB2 H 1.798 0.002 2 762 71 71 GLU HB3 H 1.942 0.002 2 763 71 71 GLU HG2 H 1.998 0.002 2 764 71 71 GLU HG3 H 1.998 0.002 2 765 71 71 GLU C C 173.914 0.300 1 766 71 71 GLU CA C 54.946 0.300 1 767 71 71 GLU CB C 33.208 0.300 1 768 71 71 GLU CG C 35.226 0.300 1 769 71 71 GLU N N 115.712 0.300 1 770 72 72 LYS H H 8.631 0.002 1 771 72 72 LYS HA H 4.271 0.002 1 772 72 72 LYS HB2 H 1.148 0.002 2 773 72 72 LYS HB3 H 0.790 0.002 2 774 72 72 LYS HG2 H 0.119 0.002 2 775 72 72 LYS HG3 H 0.119 0.002 2 776 72 72 LYS HD2 H 0.686 0.002 2 777 72 72 LYS HD3 H 0.751 0.002 2 778 72 72 LYS HE2 H 1.811 0.002 2 779 72 72 LYS HE3 H 1.914 0.002 2 780 72 72 LYS C C 176.524 0.300 1 781 72 72 LYS CA C 56.247 0.300 1 782 72 72 LYS CB C 32.695 0.300 1 783 72 72 LYS CG C 24.345 0.300 1 784 72 72 LYS CD C 28.482 0.300 1 785 72 72 LYS CE C 41.009 0.300 1 786 72 72 LYS N N 125.480 0.300 1 787 73 73 VAL H H 8.097 0.002 1 788 73 73 VAL HA H 4.605 0.002 1 789 73 73 VAL HB H 2.122 0.002 1 790 73 73 VAL HG1 H 0.892 0.002 2 791 73 73 VAL HG2 H 0.875 0.002 2 792 73 73 VAL C C 174.990 0.300 1 793 73 73 VAL CA C 59.921 0.300 1 794 73 73 VAL CB C 36.292 0.300 1 795 73 73 VAL CG1 C 22.283 0.300 2 796 73 73 VAL CG2 C 21.362 0.300 2 797 73 73 VAL N N 118.481 0.300 1 798 74 74 GLU H H 8.321 0.002 1 799 74 74 GLU HA H 4.208 0.002 1 800 74 74 GLU HB2 H 2.092 0.002 2 801 74 74 GLU HB3 H 2.016 0.002 2 802 74 74 GLU HG2 H 2.387 0.002 2 803 74 74 GLU HG3 H 2.156 0.002 2 804 74 74 GLU C C 177.494 0.300 1 805 74 74 GLU CA C 59.862 0.300 1 806 74 74 GLU CB C 31.060 0.300 1 807 74 74 GLU CG C 36.547 0.300 1 808 74 74 GLU N N 120.820 0.300 1 809 75 75 LYS H H 7.897 0.002 1 810 75 75 LYS HA H 5.233 0.002 1 811 75 75 LYS HB2 H 1.667 0.002 2 812 75 75 LYS HB3 H 1.667 0.002 2 813 75 75 LYS HG2 H 1.369 0.002 2 814 75 75 LYS HG3 H 1.314 0.002 2 815 75 75 LYS HD2 H 1.605 0.002 2 816 75 75 LYS HD3 H 1.605 0.002 2 817 75 75 LYS HE2 H 2.859 0.002 2 818 75 75 LYS HE3 H 2.859 0.002 2 819 75 75 LYS C C 175.100 0.300 1 820 75 75 LYS CA C 55.133 0.300 1 821 75 75 LYS CB C 36.248 0.300 1 822 75 75 LYS CG C 25.429 0.300 1 823 75 75 LYS CD C 29.119 0.300 1 824 75 75 LYS CE C 42.226 0.300 1 825 75 75 LYS N N 117.911 0.300 1 826 76 76 LEU H H 8.211 0.002 1 827 76 76 LEU HA H 4.502 0.002 1 828 76 76 LEU HB2 H 1.165 0.002 2 829 76 76 LEU HB3 H 1.003 0.002 2 830 76 76 LEU HG H 0.814 0.002 1 831 76 76 LEU HD1 H -0.328 0.002 2 832 76 76 LEU HD2 H 0.277 0.002 2 833 76 76 LEU C C 174.565 0.300 1 834 76 76 LEU CA C 52.510 0.300 1 835 76 76 LEU CB C 45.587 0.300 1 836 76 76 LEU CG C 26.416 0.300 1 837 76 76 LEU CD1 C 25.671 0.300 2 838 76 76 LEU CD2 C 23.548 0.300 2 839 76 76 LEU N N 116.247 0.300 1 840 77 77 ILE H H 9.119 0.002 1 841 77 77 ILE HA H 4.515 0.002 1 842 77 77 ILE HB H 1.701 0.002 1 843 77 77 ILE HG12 H 1.153 0.002 2 844 77 77 ILE HG13 H 1.153 0.002 2 845 77 77 ILE HG2 H 0.653 0.002 1 846 77 77 ILE HD1 H 0.693 0.002 1 847 77 77 ILE C C 174.611 0.300 1 848 77 77 ILE CA C 59.306 0.300 1 849 77 77 ILE CB C 37.990 0.300 1 850 77 77 ILE CG1 C 27.995 0.300 1 851 77 77 ILE CG2 C 17.477 0.300 1 852 77 77 ILE CD1 C 11.302 0.300 1 853 77 77 ILE N N 119.377 0.300 1 854 78 78 GLU H H 9.290 0.002 1 855 78 78 GLU HA H 4.984 0.002 1 856 78 78 GLU HB2 H 2.068 0.002 2 857 78 78 GLU HB3 H 1.557 0.002 2 858 78 78 GLU HG2 H 1.823 0.002 2 859 78 78 GLU HG3 H 1.732 0.002 2 860 78 78 GLU C C 175.253 0.300 1 861 78 78 GLU CA C 54.562 0.300 1 862 78 78 GLU CB C 32.412 0.300 1 863 78 78 GLU CG C 37.111 0.300 1 864 78 78 GLU N N 126.373 0.300 1 865 79 79 ILE H H 9.425 0.002 1 866 79 79 ILE HA H 4.494 0.002 1 867 79 79 ILE HB H 1.908 0.002 1 868 79 79 ILE HG12 H 1.671 0.002 2 869 79 79 ILE HG13 H 1.671 0.002 2 870 79 79 ILE HG2 H 0.812 0.002 1 871 79 79 ILE HD1 H 0.860 0.002 1 872 79 79 ILE C C 174.702 0.300 1 873 79 79 ILE CA C 60.736 0.300 1 874 79 79 ILE CB C 39.745 0.300 1 875 79 79 ILE CG1 C 28.120 0.300 1 876 79 79 ILE CG2 C 18.790 0.300 1 877 79 79 ILE CD1 C 14.442 0.300 1 878 79 79 ILE N N 131.308 0.300 1 879 80 80 LYS H H 8.694 0.002 1 880 80 80 LYS HA H 4.706 0.002 1 881 80 80 LYS HB2 H 1.845 0.002 2 882 80 80 LYS HB3 H 1.606 0.002 2 883 80 80 LYS HG2 H 1.299 0.002 2 884 80 80 LYS HG3 H 1.242 0.002 2 885 80 80 LYS HD2 H 1.450 0.002 2 886 80 80 LYS HD3 H 1.513 0.002 2 887 80 80 LYS HE2 H 2.806 0.002 2 888 80 80 LYS HE3 H 2.806 0.002 2 889 80 80 LYS C C 175.915 0.300 1 890 80 80 LYS CA C 55.745 0.300 1 891 80 80 LYS CB C 33.514 0.300 1 892 80 80 LYS CG C 25.102 0.300 1 893 80 80 LYS CD C 28.895 0.300 1 894 80 80 LYS CE C 41.954 0.300 1 895 80 80 LYS N N 127.244 0.300 1 896 81 81 LEU H H 8.525 0.002 1 897 81 81 LEU HA H 5.339 0.002 1 898 81 81 LEU HB2 H 2.018 0.002 2 899 81 81 LEU HB3 H 1.625 0.002 2 900 81 81 LEU HG H 1.688 0.002 1 901 81 81 LEU HD1 H 0.609 0.002 2 902 81 81 LEU HD2 H 0.698 0.002 2 903 81 81 LEU C C 180.194 0.300 1 904 81 81 LEU CA C 53.341 0.300 1 905 81 81 LEU CB C 43.783 0.300 1 906 81 81 LEU CG C 27.163 0.300 1 907 81 81 LEU CD1 C 25.457 0.300 2 908 81 81 LEU CD2 C 23.948 0.300 2 909 81 81 LEU N N 122.828 0.300 1 910 82 82 SER H H 9.685 0.002 1 911 82 82 SER HA H 4.136 0.002 1 912 82 82 SER HB2 H 4.052 0.002 2 913 82 82 SER HB3 H 3.947 0.002 2 914 82 82 SER C C 174.725 0.300 1 915 82 82 SER CA C 61.236 0.300 1 916 82 82 SER CB C 62.671 0.300 1 917 82 82 SER N N 120.136 0.300 1 918 83 83 SER H H 7.569 0.002 1 919 83 83 SER HA H 4.285 0.002 1 920 83 83 SER HB2 H 4.026 0.002 2 921 83 83 SER HB3 H 3.926 0.002 2 922 83 83 SER C C 175.532 0.300 1 923 83 83 SER CA C 57.503 0.300 1 924 83 83 SER CB C 63.300 0.300 1 925 83 83 SER N N 113.367 0.300 1 926 84 84 GLY H H 8.071 0.002 1 927 84 84 GLY HA2 H 4.312 0.002 2 928 84 84 GLY HA3 H 3.550 0.002 2 929 84 84 GLY C C 173.852 0.300 1 930 84 84 GLY CA C 44.914 0.300 1 931 84 84 GLY N N 109.143 0.300 1 932 85 85 TYR H H 6.740 0.002 1 933 85 85 TYR HA H 4.666 0.002 1 934 85 85 TYR HB2 H 2.946 0.002 2 935 85 85 TYR HB3 H 2.546 0.002 2 936 85 85 TYR HD1 H 7.081 0.002 3 937 85 85 TYR HD2 H 7.081 0.002 3 938 85 85 TYR HE1 H 6.746 0.002 3 939 85 85 TYR HE2 H 6.746 0.002 3 940 85 85 TYR C C 173.825 0.300 1 941 85 85 TYR CA C 57.055 0.300 1 942 85 85 TYR CB C 39.769 0.300 1 943 85 85 TYR CE1 C 118.176 0.300 3 944 85 85 TYR N N 119.419 0.300 1 945 86 86 SER H H 8.166 0.002 1 946 86 86 SER HA H 5.298 0.002 1 947 86 86 SER HB2 H 3.572 0.002 2 948 86 86 SER HB3 H 3.583 0.002 2 949 86 86 SER C C 172.621 0.300 1 950 86 86 SER CA C 56.852 0.300 1 951 86 86 SER CB C 65.893 0.300 1 952 86 86 SER N N 115.074 0.300 1 953 87 87 LEU H H 8.874 0.002 1 954 87 87 LEU HA H 4.546 0.002 1 955 87 87 LEU HB2 H 1.596 0.002 2 956 87 87 LEU HB3 H 1.484 0.002 2 957 87 87 LEU HG H 1.535 0.002 1 958 87 87 LEU HD1 H 0.884 0.002 2 959 87 87 LEU HD2 H 0.872 0.002 2 960 87 87 LEU C C 172.624 0.300 1 961 87 87 LEU CA C 54.054 0.300 1 962 87 87 LEU CB C 45.297 0.300 1 963 87 87 LEU CG C 27.287 0.300 1 964 87 87 LEU CD1 C 25.249 0.300 2 965 87 87 LEU CD2 C 24.014 0.300 2 966 87 87 LEU N N 124.037 0.300 1 967 88 88 LYS H H 8.681 0.002 1 968 88 88 LYS HA H 5.377 0.002 1 969 88 88 LYS HB2 H 1.780 0.002 2 970 88 88 LYS HB3 H 1.137 0.002 2 971 88 88 LYS HG2 H 1.300 0.002 2 972 88 88 LYS HG3 H 1.078 0.002 2 973 88 88 LYS HD2 H 1.636 0.002 2 974 88 88 LYS HD3 H 1.532 0.002 2 975 88 88 LYS HE2 H 2.871 0.002 2 976 88 88 LYS HE3 H 2.806 0.002 2 977 88 88 LYS C C 175.184 0.300 1 978 88 88 LYS CA C 55.626 0.300 1 979 88 88 LYS CB C 33.740 0.300 1 980 88 88 LYS CG C 25.126 0.300 1 981 88 88 LYS CD C 29.394 0.300 1 982 88 88 LYS CE C 41.380 0.300 1 983 88 88 LYS N N 126.211 0.300 1 984 89 89 VAL H H 8.614 0.002 1 985 89 89 VAL HA H 5.316 0.002 1 986 89 89 VAL HB H 2.108 0.002 1 987 89 89 VAL HG1 H 0.486 0.002 2 988 89 89 VAL HG2 H 0.663 0.002 2 989 89 89 VAL C C 174.931 0.300 1 990 89 89 VAL CA C 57.727 0.300 1 991 89 89 VAL CB C 37.167 0.300 1 992 89 89 VAL CG1 C 22.419 0.300 2 993 89 89 VAL CG2 C 18.476 0.300 2 994 89 89 VAL N N 113.995 0.300 1 995 90 90 THR H H 8.329 0.002 1 996 90 90 THR HA H 4.356 0.002 1 997 90 90 THR HB H 4.783 0.002 1 998 90 90 THR HG2 H 1.341 0.002 1 999 90 90 THR C C 173.950 0.300 1 1000 90 90 THR CA C 60.794 0.300 1 1001 90 90 THR CB C 67.685 0.300 1 1002 90 90 THR CG2 C 25.532 0.300 1 1003 90 90 THR N N 110.896 0.300 1 1004 91 91 PRO HA H 4.148 0.002 1 1005 91 91 PRO HB2 H 2.306 0.002 2 1006 91 91 PRO HB3 H 2.000 0.002 2 1007 91 91 PRO HG2 H 2.196 0.002 2 1008 91 91 PRO HG3 H 1.789 0.002 2 1009 91 91 PRO HD2 H 3.698 0.002 2 1010 91 91 PRO HD3 H 3.851 0.002 2 1011 91 91 PRO C C 176.265 0.300 1 1012 91 91 PRO CA C 66.409 0.300 1 1013 91 91 PRO CB C 32.068 0.300 1 1014 91 91 PRO CG C 27.857 0.300 1 1015 91 91 PRO CD C 50.480 0.300 1 1016 92 92 SER H H 7.636 0.002 1 1017 92 92 SER HA H 4.469 0.002 1 1018 92 92 SER HB2 H 4.012 0.002 2 1019 92 92 SER HB3 H 3.785 0.002 2 1020 92 92 SER C C 173.883 0.300 1 1021 92 92 SER CA C 57.301 0.300 1 1022 92 92 SER CB C 63.470 0.300 1 1023 92 92 SER N N 106.310 0.300 1 1024 93 93 HIS H H 8.035 0.002 1 1025 93 93 HIS HA H 4.383 0.002 1 1026 93 93 HIS HB2 H 3.287 0.002 2 1027 93 93 HIS HB3 H 3.287 0.002 2 1028 93 93 HIS HD2 H 6.864 0.002 1 1029 93 93 HIS C C 173.836 0.300 1 1030 93 93 HIS CA C 55.722 0.300 1 1031 93 93 HIS CB C 33.069 0.300 1 1032 93 93 HIS N N 127.779 0.300 1 1033 94 94 PRO HA H 4.266 0.002 1 1034 94 94 PRO HB2 H 1.798 0.002 2 1035 94 94 PRO HB3 H 1.150 0.002 2 1036 94 94 PRO HG2 H 1.252 0.002 2 1037 94 94 PRO HG3 H 0.661 0.002 2 1038 94 94 PRO HD2 H 3.851 0.002 2 1039 94 94 PRO HD3 H 2.200 0.002 2 1040 94 94 PRO C C 175.370 0.300 1 1041 94 94 PRO CA C 62.587 0.300 1 1042 94 94 PRO CB C 32.600 0.300 1 1043 94 94 PRO CG C 27.598 0.300 1 1044 94 94 PRO CD C 50.862 0.300 1 1045 95 95 VAL H H 9.618 0.002 1 1046 95 95 VAL HA H 4.364 0.002 1 1047 95 95 VAL HB H 2.018 0.002 1 1048 95 95 VAL HG1 H 0.936 0.002 2 1049 95 95 VAL HG2 H 1.077 0.002 2 1050 95 95 VAL C C 174.196 0.300 1 1051 95 95 VAL CA C 61.493 0.300 1 1052 95 95 VAL CB C 34.238 0.300 1 1053 95 95 VAL CG1 C 22.654 0.300 2 1054 95 95 VAL CG2 C 21.980 0.300 2 1055 95 95 VAL N N 127.151 0.300 1 1056 96 96 LEU H H 8.563 0.002 1 1057 96 96 LEU HA H 3.929 0.002 1 1058 96 96 LEU HB2 H 1.878 0.002 2 1059 96 96 LEU HB3 H 0.243 0.002 2 1060 96 96 LEU HG H 0.810 0.002 1 1061 96 96 LEU HD1 H 0.334 0.002 2 1062 96 96 LEU HD2 H -0.564 0.002 2 1063 96 96 LEU C C 174.013 0.300 1 1064 96 96 LEU CA C 54.977 0.300 1 1065 96 96 LEU CB C 40.168 0.300 1 1066 96 96 LEU CG C 26.200 0.300 1 1067 96 96 LEU CD1 C 25.551 0.300 2 1068 96 96 LEU CD2 C 20.762 0.300 2 1069 96 96 LEU N N 130.214 0.300 1 1070 97 97 LEU H H 8.817 0.002 1 1071 97 97 LEU HA H 5.549 0.002 1 1072 97 97 LEU HB2 H 1.431 0.002 2 1073 97 97 LEU HB3 H 1.529 0.002 2 1074 97 97 LEU HG H 1.697 0.002 1 1075 97 97 LEU HD1 H 0.725 0.002 2 1076 97 97 LEU HD2 H 0.736 0.002 2 1077 97 97 LEU C C 176.507 0.300 1 1078 97 97 LEU CA C 52.530 0.300 1 1079 97 97 LEU CB C 45.894 0.300 1 1080 97 97 LEU CG C 27.206 0.300 1 1081 97 97 LEU CD1 C 25.129 0.300 2 1082 97 97 LEU CD2 C 26.547 0.300 2 1083 97 97 LEU N N 128.193 0.300 1 1084 98 98 PHE H H 8.029 0.002 1 1085 98 98 PHE HA H 4.825 0.002 1 1086 98 98 PHE HB2 H 2.857 0.002 2 1087 98 98 PHE HB3 H 2.302 0.002 2 1088 98 98 PHE HD1 H 7.021 0.002 3 1089 98 98 PHE HD2 H 7.021 0.002 3 1090 98 98 PHE C C 175.879 0.300 1 1091 98 98 PHE CA C 56.573 0.300 1 1092 98 98 PHE CB C 39.816 0.300 1 1093 98 98 PHE N N 118.850 0.300 1 1094 99 99 ARG H H 8.293 0.002 1 1095 99 99 ARG HA H 4.349 0.002 1 1096 99 99 ARG HB2 H 1.615 0.002 2 1097 99 99 ARG HB3 H 1.385 0.002 2 1098 99 99 ARG HG2 H 1.489 0.002 2 1099 99 99 ARG HG3 H 1.420 0.002 2 1100 99 99 ARG HD2 H 3.043 0.002 2 1101 99 99 ARG HD3 H 2.851 0.002 2 1102 99 99 ARG HE H 7.423 0.002 1 1103 99 99 ARG C C 173.886 0.300 1 1104 99 99 ARG CA C 55.670 0.300 1 1105 99 99 ARG CB C 31.427 0.300 1 1106 99 99 ARG CG C 26.771 0.300 1 1107 99 99 ARG CD C 44.651 0.300 1 1108 99 99 ARG N N 131.780 0.300 1 1109 99 99 ARG NE N 84.377 0.300 1 1110 100 100 ASP H H 8.079 0.002 1 1111 100 100 ASP HA H 4.140 0.002 1 1112 100 100 ASP HB2 H 2.663 0.002 2 1113 100 100 ASP HB3 H 2.366 0.002 2 1114 100 100 ASP C C 174.790 0.300 1 1115 100 100 ASP CA C 54.491 0.300 1 1116 100 100 ASP CB C 39.085 0.300 1 1117 100 100 ASP N N 122.005 0.300 1 1118 101 101 GLY H H 5.574 0.002 1 1119 101 101 GLY HA2 H 3.999 0.002 2 1120 101 101 GLY HA3 H 3.186 0.002 2 1121 101 101 GLY C C 172.482 0.300 1 1122 101 101 GLY CA C 43.322 0.300 1 1123 101 101 GLY N N 104.639 0.300 1 1124 102 102 LEU H H 8.180 0.002 1 1125 102 102 LEU HA H 4.612 0.002 1 1126 102 102 LEU HB2 H 1.615 0.002 2 1127 102 102 LEU HB3 H 1.000 0.002 2 1128 102 102 LEU HG H 1.705 0.002 1 1129 102 102 LEU HD1 H 0.868 0.002 2 1130 102 102 LEU HD2 H 0.821 0.002 2 1131 102 102 LEU C C 177.127 0.300 1 1132 102 102 LEU CA C 55.166 0.300 1 1133 102 102 LEU CB C 41.706 0.300 1 1134 102 102 LEU CG C 27.480 0.300 1 1135 102 102 LEU CD1 C 25.245 0.300 2 1136 102 102 LEU CD2 C 24.968 0.300 2 1137 102 102 LEU N N 120.747 0.300 1 1138 103 103 GLN H H 8.769 0.002 1 1139 103 103 GLN HA H 4.365 0.002 1 1140 103 103 GLN HB2 H 1.806 0.002 2 1141 103 103 GLN HB3 H 1.512 0.002 2 1142 103 103 GLN HG2 H 2.058 0.002 2 1143 103 103 GLN HG3 H 2.058 0.002 2 1144 103 103 GLN HE21 H 7.107 0.002 2 1145 103 103 GLN HE22 H 6.638 0.002 2 1146 103 103 GLN C C 173.389 0.300 1 1147 103 103 GLN CA C 54.601 0.300 1 1148 103 103 GLN CB C 33.163 0.300 1 1149 103 103 GLN CG C 33.337 0.300 1 1150 103 103 GLN CD C 180.096 0.300 1 1151 103 103 GLN N N 122.509 0.300 1 1152 103 103 GLN NE2 N 110.994 0.300 1 1153 104 104 TRP H H 8.424 0.002 1 1154 104 104 TRP HA H 5.022 0.002 1 1155 104 104 TRP HB2 H 2.965 0.002 2 1156 104 104 TRP HB3 H 2.768 0.002 2 1157 104 104 TRP HD1 H 7.281 0.002 1 1158 104 104 TRP HE1 H 9.955 0.002 1 1159 104 104 TRP HE3 H 6.986 0.002 1 1160 104 104 TRP HZ2 H 7.356 0.002 1 1161 104 104 TRP HZ3 H 7.094 0.002 1 1162 104 104 TRP C C 176.621 0.300 1 1163 104 104 TRP CA C 55.603 0.300 1 1164 104 104 TRP CB C 29.791 0.300 1 1165 104 104 TRP N N 123.852 0.300 1 1166 104 104 TRP NE1 N 128.573 0.300 1 1167 105 105 VAL H H 9.514 0.002 1 1168 105 105 VAL HA H 4.619 0.002 1 1169 105 105 VAL HB H 1.778 0.002 1 1170 105 105 VAL HG1 H 0.897 0.002 2 1171 105 105 VAL HG2 H 0.756 0.002 2 1172 105 105 VAL C C 173.117 0.300 1 1173 105 105 VAL CA C 59.144 0.300 1 1174 105 105 VAL CB C 36.577 0.300 1 1175 105 105 VAL CG1 C 20.236 0.300 2 1176 105 105 VAL CG2 C 20.368 0.300 2 1177 105 105 VAL N N 128.055 0.300 1 1178 106 106 PRO HA H 4.073 0.002 1 1179 106 106 PRO HB2 H 2.166 0.002 2 1180 106 106 PRO HB3 H 1.797 0.002 2 1181 106 106 PRO HG2 H 1.982 0.002 2 1182 106 106 PRO HG3 H 1.982 0.002 2 1183 106 106 PRO HD2 H 3.715 0.002 2 1184 106 106 PRO HD3 H 3.546 0.002 2 1185 106 106 PRO C C 177.975 0.300 1 1186 106 106 PRO CA C 63.186 0.300 1 1187 106 106 PRO CB C 32.288 0.300 1 1188 106 106 PRO CG C 28.023 0.300 1 1189 106 106 PRO CD C 50.994 0.300 1 1190 107 107 ALA H H 8.580 0.002 1 1191 107 107 ALA HA H 3.912 0.002 1 1192 107 107 ALA HB H 1.483 0.002 1 1193 107 107 ALA C C 178.663 0.300 1 1194 107 107 ALA CA C 55.744 0.300 1 1195 107 107 ALA CB C 19.902 0.300 1 1196 107 107 ALA N N 126.217 0.300 1 1197 108 108 ALA H H 8.445 0.002 1 1198 108 108 ALA HA H 3.943 0.002 1 1199 108 108 ALA HB H 1.355 0.002 1 1200 108 108 ALA C C 178.282 0.300 1 1201 108 108 ALA CA C 54.047 0.300 1 1202 108 108 ALA CB C 19.190 0.300 1 1203 108 108 ALA N N 114.533 0.300 1 1204 109 109 GLU H H 8.442 0.002 1 1205 109 109 GLU HA H 4.238 0.002 1 1206 109 109 GLU HB2 H 2.218 0.002 2 1207 109 109 GLU HB3 H 1.827 0.002 2 1208 109 109 GLU HG2 H 2.103 0.002 2 1209 109 109 GLU HG3 H 2.103 0.002 2 1210 109 109 GLU C C 176.332 0.300 1 1211 109 109 GLU CA C 55.541 0.300 1 1212 109 109 GLU CB C 30.400 0.300 1 1213 109 109 GLU CG C 36.628 0.300 1 1214 109 109 GLU N N 115.391 0.300 1 1215 110 110 VAL H H 7.415 0.002 1 1216 110 110 VAL HA H 3.702 0.002 1 1217 110 110 VAL HB H 2.120 0.002 1 1218 110 110 VAL HG1 H 0.940 0.002 2 1219 110 110 VAL HG2 H 0.954 0.002 2 1220 110 110 VAL C C 174.370 0.300 1 1221 110 110 VAL CA C 63.731 0.300 1 1222 110 110 VAL CB C 31.337 0.300 1 1223 110 110 VAL CG1 C 23.090 0.300 2 1224 110 110 VAL CG2 C 23.936 0.300 2 1225 110 110 VAL N N 123.841 0.300 1 1226 111 111 LYS H H 9.357 0.002 1 1227 111 111 LYS HA H 4.859 0.002 1 1228 111 111 LYS HB2 H 1.618 0.002 2 1229 111 111 LYS HB3 H 1.544 0.002 2 1230 111 111 LYS HG2 H 1.310 0.002 2 1231 111 111 LYS HG3 H 1.339 0.002 2 1232 111 111 LYS HD2 H 1.609 0.002 2 1233 111 111 LYS HD3 H 1.609 0.002 2 1234 111 111 LYS HE2 H 2.928 0.002 2 1235 111 111 LYS HE3 H 2.928 0.002 2 1236 111 111 LYS C C 173.545 0.300 1 1237 111 111 LYS CA C 52.966 0.300 1 1238 111 111 LYS CB C 33.950 0.300 1 1239 111 111 LYS CG C 23.883 0.300 1 1240 111 111 LYS CD C 29.106 0.300 1 1241 111 111 LYS CE C 42.205 0.300 1 1242 111 111 LYS N N 127.429 0.300 1 1243 112 112 PRO HA H 3.947 0.002 1 1244 112 112 PRO HB2 H 2.087 0.002 2 1245 112 112 PRO HB3 H 1.833 0.002 2 1246 112 112 PRO HG2 H 2.250 0.002 2 1247 112 112 PRO HG3 H 1.656 0.002 2 1248 112 112 PRO HD2 H 3.627 0.002 2 1249 112 112 PRO HD3 H 3.553 0.002 2 1250 112 112 PRO C C 177.352 0.300 1 1251 112 112 PRO CA C 63.794 0.300 1 1252 112 112 PRO CB C 30.987 0.300 1 1253 112 112 PRO CG C 29.203 0.300 1 1254 112 112 PRO CD C 50.631 0.300 1 1255 113 113 GLY H H 8.959 0.002 1 1256 113 113 GLY HA2 H 4.433 0.002 2 1257 113 113 GLY HA3 H 3.620 0.002 2 1258 113 113 GLY C C 175.631 0.300 1 1259 113 113 GLY CA C 45.040 0.300 1 1260 113 113 GLY N N 114.201 0.300 1 1261 114 114 ASP H H 7.969 0.002 1 1262 114 114 ASP HA H 4.793 0.002 1 1263 114 114 ASP HB2 H 3.034 0.002 2 1264 114 114 ASP HB3 H 2.519 0.002 2 1265 114 114 ASP C C 174.294 0.300 1 1266 114 114 ASP CA C 55.690 0.300 1 1267 114 114 ASP CB C 42.859 0.300 1 1268 114 114 ASP N N 120.196 0.300 1 1269 115 115 VAL H H 9.226 0.002 1 1270 115 115 VAL HA H 4.633 0.002 1 1271 115 115 VAL HB H 2.030 0.002 1 1272 115 115 VAL HG1 H 0.790 0.002 2 1273 115 115 VAL HG2 H 0.939 0.002 2 1274 115 115 VAL C C 174.847 0.300 1 1275 115 115 VAL CA C 61.329 0.300 1 1276 115 115 VAL CB C 34.050 0.300 1 1277 115 115 VAL CG1 C 22.714 0.300 2 1278 115 115 VAL CG2 C 20.962 0.300 2 1279 115 115 VAL N N 118.255 0.300 1 1280 116 116 VAL H H 8.953 0.002 1 1281 116 116 VAL HA H 4.610 0.002 1 1282 116 116 VAL HB H 1.934 0.002 1 1283 116 116 VAL HG1 H 0.872 0.002 2 1284 116 116 VAL HG2 H 0.738 0.002 2 1285 116 116 VAL C C 175.688 0.300 1 1286 116 116 VAL CA C 60.962 0.300 1 1287 116 116 VAL CB C 33.333 0.300 1 1288 116 116 VAL CG1 C 21.756 0.300 2 1289 116 116 VAL CG2 C 23.004 0.300 2 1290 116 116 VAL N N 126.711 0.300 1 1291 117 117 VAL H H 8.095 0.002 1 1292 117 117 VAL HA H 4.421 0.002 1 1293 117 117 VAL HB H 1.474 0.002 1 1294 117 117 VAL HG1 H 0.700 0.002 2 1295 117 117 VAL HG2 H 0.803 0.002 2 1296 117 117 VAL C C 175.254 0.300 1 1297 117 117 VAL CA C 62.522 0.300 1 1298 117 117 VAL CB C 32.997 0.300 1 1299 117 117 VAL CG1 C 22.780 0.300 2 1300 117 117 VAL CG2 C 22.732 0.300 2 1301 117 117 VAL N N 127.277 0.300 1 1302 118 118 GLY H H 8.672 0.002 1 1303 118 118 GLY HA2 H 4.683 0.002 2 1304 118 118 GLY HA3 H 3.697 0.002 2 1305 118 118 GLY C C 172.131 0.300 1 1306 118 118 GLY CA C 43.859 0.300 1 1307 118 118 GLY N N 114.178 0.300 1 1308 119 119 VAL H H 8.878 0.002 1 1309 119 119 VAL HA H 4.710 0.002 1 1310 119 119 VAL HB H 1.956 0.002 1 1311 119 119 VAL HG1 H 0.680 0.002 2 1312 119 119 VAL HG2 H 0.657 0.002 2 1313 119 119 VAL C C 176.094 0.300 1 1314 119 119 VAL CA C 59.556 0.300 1 1315 119 119 VAL CB C 33.825 0.300 1 1316 119 119 VAL CG1 C 21.541 0.300 2 1317 119 119 VAL CG2 C 20.353 0.300 2 1318 119 119 VAL N N 115.050 0.300 1 1319 120 120 ARG H H 8.074 0.002 1 1320 120 120 ARG HA H 4.083 0.002 1 1321 120 120 ARG HB2 H 1.520 0.002 2 1322 120 120 ARG HB3 H 1.838 0.002 2 1323 120 120 ARG HG2 H 1.476 0.002 2 1324 120 120 ARG HG3 H 1.476 0.002 2 1325 120 120 ARG HD2 H 3.053 0.002 2 1326 120 120 ARG HD3 H 3.053 0.002 2 1327 120 120 ARG CA C 57.109 0.300 1 1328 120 120 ARG CB C 30.333 0.300 1 1329 120 120 ARG CG C 27.731 0.300 1 1330 120 120 ARG CD C 43.322 0.300 1 1331 120 120 ARG N N 122.088 0.300 1 1332 122 122 GLU HA H 3.847 0.002 1 1333 122 122 GLU HB2 H 1.884 0.002 2 1334 122 122 GLU HB3 H 1.821 0.002 2 1335 122 122 GLU HG2 H 2.080 0.002 2 1336 122 122 GLU HG3 H 2.080 0.002 2 1337 122 122 GLU C C 177.588 0.300 1 1338 122 122 GLU CA C 58.484 0.300 1 1339 122 122 GLU CB C 29.328 0.300 1 1340 122 122 GLU CG C 35.757 0.300 1 1341 123 123 VAL H H 7.478 0.002 1 1342 123 123 VAL HA H 3.552 0.002 1 1343 123 123 VAL HB H 2.012 0.002 1 1344 123 123 VAL HG1 H 0.865 0.002 2 1345 123 123 VAL HG2 H 0.726 0.002 2 1346 123 123 VAL C C 176.621 0.300 1 1347 123 123 VAL CA C 64.512 0.300 1 1348 123 123 VAL CB C 31.373 0.300 1 1349 123 123 VAL CG1 C 17.886 0.300 2 1350 123 123 VAL CG2 C 21.207 0.300 2 1351 123 123 VAL N N 117.684 0.300 1 1352 124 124 LEU HA H 3.541 0.002 1 1353 124 124 LEU HB2 H 0.948 0.002 2 1354 124 124 LEU HB3 H 1.275 0.002 2 1355 124 124 LEU HG H 1.095 0.002 1 1356 124 124 LEU HD1 H 0.330 0.002 2 1357 124 124 LEU HD2 H 0.207 0.002 2 1358 124 124 LEU CA C 56.172 0.300 1 1359 124 124 LEU CB C 41.018 0.300 1 1360 124 124 LEU CG C 27.163 0.300 1 1361 124 124 LEU CD1 C 24.428 0.300 2 1362 124 124 LEU CD2 C 23.107 0.300 2 1363 125 125 ARG H H 7.309 0.002 1 1364 125 125 ARG HA H 4.079 0.002 1 1365 125 125 ARG HB2 H 1.621 0.002 2 1366 125 125 ARG HB3 H 1.621 0.002 2 1367 125 125 ARG HG2 H 1.469 0.002 2 1368 125 125 ARG HG3 H 1.469 0.002 2 1369 125 125 ARG HD2 H 3.028 0.002 2 1370 125 125 ARG HD3 H 3.028 0.002 2 1371 125 125 ARG CA C 56.395 0.300 1 1372 125 125 ARG CB C 30.616 0.300 1 1373 125 125 ARG CG C 27.271 0.300 1 1374 125 125 ARG CD C 43.321 0.300 1 1375 125 125 ARG N N 115.731 0.300 1 1376 128 128 ILE HA H 4.259 0.002 1 1377 128 128 ILE HB H 1.689 0.002 1 1378 128 128 ILE HG12 H 1.305 0.002 2 1379 128 128 ILE HG13 H 0.963 0.002 2 1380 128 128 ILE HG2 H 0.764 0.002 1 1381 128 128 ILE HD1 H 0.717 0.002 1 1382 128 128 ILE C C 175.364 0.300 1 1383 128 128 ILE CA C 60.258 0.300 1 1384 128 128 ILE CB C 39.468 0.300 1 1385 128 128 ILE CG1 C 26.960 0.300 1 1386 128 128 ILE CG2 C 17.449 0.300 1 1387 128 128 ILE CD1 C 12.790 0.300 1 1388 129 129 ILE H H 8.144 0.002 1 1389 129 129 ILE HA H 4.134 0.002 1 1390 129 129 ILE HB H 1.733 0.002 1 1391 129 129 ILE HG12 H 1.359 0.002 2 1392 129 129 ILE HG13 H 1.048 0.002 2 1393 129 129 ILE HG2 H 0.717 0.002 1 1394 129 129 ILE HD1 H 0.657 0.002 1 1395 129 129 ILE C C 175.405 0.300 1 1396 129 129 ILE CA C 61.037 0.300 1 1397 129 129 ILE CB C 38.665 0.300 1 1398 129 129 ILE CG1 C 27.207 0.300 1 1399 129 129 ILE CG2 C 17.736 0.300 1 1400 129 129 ILE CD1 C 13.271 0.300 1 1401 129 129 ILE N N 124.348 0.300 1 1402 130 130 SER H H 8.042 0.002 1 1403 130 130 SER HA H 4.556 0.002 1 1404 130 130 SER HB2 H 3.792 0.002 2 1405 130 130 SER HB3 H 3.693 0.002 2 1406 130 130 SER C C 173.783 0.300 1 1407 130 130 SER CA C 57.557 0.300 1 1408 130 130 SER CB C 64.702 0.300 1 1409 130 130 SER N N 119.415 0.300 1 1410 131 131 LYS H H 8.188 0.002 1 1411 131 131 LYS HA H 4.251 0.002 1 1412 131 131 LYS HB2 H 1.729 0.002 2 1413 131 131 LYS HB3 H 1.729 0.002 2 1414 131 131 LYS HG2 H 1.355 0.002 2 1415 131 131 LYS HG3 H 1.313 0.002 2 1416 131 131 LYS HD2 H 1.726 0.002 2 1417 131 131 LYS HD3 H 1.610 0.002 2 1418 131 131 LYS HE2 H 2.925 0.002 2 1419 131 131 LYS HE3 H 2.925 0.002 2 1420 131 131 LYS CA C 57.112 0.300 1 1421 131 131 LYS CB C 33.030 0.300 1 1422 131 131 LYS CG C 24.828 0.300 1 1423 131 131 LYS CD C 29.116 0.300 1 1424 131 131 LYS CE C 42.255 0.300 1 1425 131 131 LYS N N 122.113 0.300 1 1426 132 132 GLY H H 8.434 0.002 1 1427 132 132 GLY HA2 H 3.899 0.002 2 1428 132 132 GLY HA3 H 3.449 0.002 2 1429 132 132 GLY C C 173.028 0.300 1 1430 132 132 GLY CA C 45.721 0.300 1 1431 132 132 GLY N N 110.137 0.300 1 1432 133 133 GLU H H 7.586 0.002 1 1433 133 133 GLU HA H 4.260 0.002 1 1434 133 133 GLU HB2 H 1.905 0.002 2 1435 133 133 GLU HB3 H 1.736 0.002 2 1436 133 133 GLU HG2 H 2.102 0.002 2 1437 133 133 GLU HG3 H 2.102 0.002 2 1438 133 133 GLU C C 175.341 0.300 1 1439 133 133 GLU CA C 55.948 0.300 1 1440 133 133 GLU CB C 30.426 0.300 1 1441 133 133 GLU CG C 36.395 0.300 1 1442 133 133 GLU N N 121.480 0.300 1 1443 134 134 LEU HA H 4.506 0.002 1 1444 134 134 LEU HB2 H 0.859 0.002 2 1445 134 134 LEU HB3 H 1.366 0.002 2 1446 134 134 LEU HG H 1.582 0.002 1 1447 134 134 LEU HD1 H 0.814 0.002 2 1448 134 134 LEU HD2 H 0.513 0.002 2 1449 134 134 LEU C C 175.688 0.300 1 1450 134 134 LEU CA C 54.483 0.300 1 1451 134 134 LEU CB C 42.588 0.300 1 1452 134 134 LEU CG C 26.816 0.300 1 1453 134 134 LEU CD1 C 25.657 0.300 2 1454 134 134 LEU CD2 C 21.401 0.300 2 1455 135 135 GLU H H 8.459 0.002 1 1456 135 135 GLU HA H 4.086 0.002 1 1457 135 135 GLU HB2 H 1.279 0.002 2 1458 135 135 GLU HB3 H 1.279 0.002 2 1459 135 135 GLU HG2 H 1.691 0.002 2 1460 135 135 GLU HG3 H 1.614 0.002 2 1461 135 135 GLU C C 173.258 0.300 1 1462 135 135 GLU CA C 54.246 0.300 1 1463 135 135 GLU CB C 33.148 0.300 1 1464 135 135 GLU CG C 35.515 0.300 1 1465 135 135 GLU N N 122.400 0.300 1 1466 136 136 PHE H H 8.176 0.002 1 1467 136 136 PHE HA H 4.888 0.002 1 1468 136 136 PHE HB2 H 2.799 0.002 2 1469 136 136 PHE HB3 H 2.712 0.002 2 1470 136 136 PHE HD1 H 6.967 0.002 3 1471 136 136 PHE HD2 H 6.967 0.002 3 1472 136 136 PHE HE1 H 6.794 0.002 3 1473 136 136 PHE HE2 H 6.794 0.002 3 1474 136 136 PHE C C 175.369 0.300 1 1475 136 136 PHE CA C 55.810 0.300 1 1476 136 136 PHE CB C 39.621 0.300 1 1477 136 136 PHE CE1 C 132.356 0.300 3 1478 136 136 PHE N N 123.681 0.300 1 1479 137 137 HIS H H 9.385 0.002 1 1480 137 137 HIS HA H 4.656 0.002 1 1481 137 137 HIS HB2 H 3.052 0.002 2 1482 137 137 HIS HB3 H 2.825 0.002 2 1483 137 137 HIS HD2 H 6.714 0.002 1 1484 137 137 HIS C C 174.401 0.300 1 1485 137 137 HIS CA C 54.621 0.300 1 1486 137 137 HIS CB C 34.658 0.300 1 1487 137 137 HIS N N 124.198 0.300 1 1488 138 138 GLU H H 8.687 0.002 1 1489 138 138 GLU HA H 4.596 0.002 1 1490 138 138 GLU HB2 H 1.956 0.002 2 1491 138 138 GLU HB3 H 1.956 0.002 2 1492 138 138 GLU HG2 H 2.081 0.002 2 1493 138 138 GLU HG3 H 2.110 0.002 2 1494 138 138 GLU C C 176.395 0.300 1 1495 138 138 GLU CA C 56.986 0.300 1 1496 138 138 GLU CB C 31.092 0.300 1 1497 138 138 GLU CG C 36.966 0.300 1 1498 138 138 GLU N N 125.695 0.300 1 1499 139 139 VAL H H 9.167 0.002 1 1500 139 139 VAL HA H 4.041 0.002 1 1501 139 139 VAL HB H 2.142 0.002 1 1502 139 139 VAL HG1 H 0.632 0.002 2 1503 139 139 VAL HG2 H 0.694 0.002 2 1504 139 139 VAL C C 176.776 0.300 1 1505 139 139 VAL CA C 63.541 0.300 1 1506 139 139 VAL CB C 31.861 0.300 1 1507 139 139 VAL CG1 C 22.839 0.300 2 1508 139 139 VAL CG2 C 22.261 0.300 2 1509 139 139 VAL N N 125.638 0.300 1 1510 140 140 SER H H 9.574 0.002 1 1511 140 140 SER HA H 4.505 0.002 1 1512 140 140 SER HB2 H 3.587 0.002 2 1513 140 140 SER HB3 H 3.649 0.002 2 1514 140 140 SER C C 174.469 0.300 1 1515 140 140 SER CA C 59.725 0.300 1 1516 140 140 SER CB C 64.262 0.300 1 1517 140 140 SER N N 127.375 0.300 1 1518 141 141 SER H H 7.633 0.002 1 1519 141 141 SER HA H 4.499 0.002 1 1520 141 141 SER HB2 H 3.761 0.002 2 1521 141 141 SER HB3 H 3.698 0.002 2 1522 141 141 SER C C 171.496 0.300 1 1523 141 141 SER CA C 58.020 0.300 1 1524 141 141 SER CB C 64.809 0.300 1 1525 141 141 SER N N 112.596 0.300 1 1526 142 142 VAL H H 8.332 0.002 1 1527 142 142 VAL HA H 5.085 0.002 1 1528 142 142 VAL HB H 1.829 0.002 1 1529 142 142 VAL HG1 H 0.767 0.002 2 1530 142 142 VAL HG2 H 0.710 0.002 2 1531 142 142 VAL C C 174.988 0.300 1 1532 142 142 VAL CA C 61.126 0.300 1 1533 142 142 VAL CB C 35.465 0.300 1 1534 142 142 VAL CG1 C 21.696 0.300 2 1535 142 142 VAL CG2 C 21.046 0.300 2 1536 142 142 VAL N N 120.003 0.300 1 1537 143 143 ARG H H 8.437 0.002 1 1538 143 143 ARG HA H 4.728 0.002 1 1539 143 143 ARG HB2 H 1.863 0.002 2 1540 143 143 ARG HB3 H 1.716 0.002 2 1541 143 143 ARG HG2 H 1.638 0.002 2 1542 143 143 ARG HG3 H 1.421 0.002 2 1543 143 143 ARG HD2 H 3.064 0.002 2 1544 143 143 ARG HD3 H 3.064 0.002 2 1545 143 143 ARG C C 173.524 0.300 1 1546 143 143 ARG CA C 54.768 0.300 1 1547 143 143 ARG CB C 33.835 0.300 1 1548 143 143 ARG CG C 26.539 0.300 1 1549 143 143 ARG CD C 43.702 0.300 1 1550 143 143 ARG N N 122.539 0.300 1 1551 144 144 ILE H H 8.398 0.002 1 1552 144 144 ILE HA H 4.741 0.002 1 1553 144 144 ILE HB H 1.650 0.002 1 1554 144 144 ILE HG12 H 1.516 0.002 2 1555 144 144 ILE HG13 H 0.985 0.002 2 1556 144 144 ILE HG2 H 0.792 0.002 1 1557 144 144 ILE HD1 H 0.754 0.002 1 1558 144 144 ILE C C 176.564 0.300 1 1559 144 144 ILE CA C 60.667 0.300 1 1560 144 144 ILE CB C 38.329 0.300 1 1561 144 144 ILE CG1 C 28.305 0.300 1 1562 144 144 ILE CG2 C 17.853 0.300 1 1563 144 144 ILE CD1 C 13.001 0.300 1 1564 144 144 ILE N N 122.940 0.300 1 1565 145 145 ILE H H 9.176 0.002 1 1566 145 145 ILE HA H 4.671 0.002 1 1567 145 145 ILE HB H 1.796 0.002 1 1568 145 145 ILE HG12 H 1.283 0.002 2 1569 145 145 ILE HG13 H 0.784 0.002 2 1570 145 145 ILE HG2 H 0.765 0.002 1 1571 145 145 ILE HD1 H 0.736 0.002 1 1572 145 145 ILE C C 175.094 0.300 1 1573 145 145 ILE CA C 59.016 0.300 1 1574 145 145 ILE CB C 41.387 0.300 1 1575 145 145 ILE CG1 C 26.303 0.300 1 1576 145 145 ILE CG2 C 18.096 0.300 1 1577 145 145 ILE CD1 C 13.375 0.300 1 1578 145 145 ILE N N 122.362 0.300 1 1579 146 146 ASP H H 8.390 0.002 1 1580 146 146 ASP HA H 4.560 0.002 1 1581 146 146 ASP HB2 H 2.477 0.002 2 1582 146 146 ASP HB3 H 2.477 0.002 2 1583 146 146 ASP C C 175.190 0.300 1 1584 146 146 ASP CA C 55.437 0.300 1 1585 146 146 ASP CB C 41.088 0.300 1 1586 146 146 ASP N N 122.990 0.300 1 1587 147 147 TYR H H 8.396 0.002 1 1588 147 147 TYR HA H 4.520 0.002 1 1589 147 147 TYR HB2 H 2.573 0.002 2 1590 147 147 TYR HB3 H 2.450 0.002 2 1591 147 147 TYR HD1 H 7.084 0.002 3 1592 147 147 TYR HD2 H 7.084 0.002 3 1593 147 147 TYR HE1 H 6.843 0.002 3 1594 147 147 TYR HE2 H 6.843 0.002 3 1595 147 147 TYR C C 174.060 0.300 1 1596 147 147 TYR CA C 59.911 0.300 1 1597 147 147 TYR CB C 42.677 0.300 1 1598 147 147 TYR CE2 C 118.120 0.300 3 1599 147 147 TYR N N 125.108 0.300 1 1600 148 148 ASN H H 8.863 0.002 1 1601 148 148 ASN HA H 4.491 0.002 1 1602 148 148 ASN HB2 H 2.578 0.002 2 1603 148 148 ASN HB3 H 2.578 0.002 2 1604 148 148 ASN HD21 H 7.477 0.002 2 1605 148 148 ASN HD22 H 6.915 0.002 2 1606 148 148 ASN C C 173.649 0.300 1 1607 148 148 ASN CA C 53.953 0.300 1 1608 148 148 ASN CB C 37.436 0.300 1 1609 148 148 ASN CG C 176.961 0.300 1 1610 148 148 ASN N N 118.814 0.300 1 1611 148 148 ASN ND2 N 113.647 0.300 1 1612 149 149 ASN H H 7.585 0.002 1 1613 149 149 ASN HA H 4.122 0.002 1 1614 149 149 ASN HB2 H 1.713 0.002 2 1615 149 149 ASN HB3 H 1.713 0.002 2 1616 149 149 ASN HD21 H 7.449 0.002 2 1617 149 149 ASN HD22 H 7.043 0.002 2 1618 149 149 ASN C C 173.934 0.300 1 1619 149 149 ASN CA C 51.636 0.300 1 1620 149 149 ASN CB C 40.339 0.300 1 1621 149 149 ASN N N 116.893 0.300 1 1622 149 149 ASN ND2 N 113.049 0.300 1 1623 150 150 TRP H H 9.263 0.002 1 1624 150 150 TRP HA H 4.678 0.002 1 1625 150 150 TRP HB2 H 2.987 0.002 2 1626 150 150 TRP HB3 H 2.418 0.002 2 1627 150 150 TRP HD1 H 7.335 0.002 1 1628 150 150 TRP HE1 H 10.024 0.002 1 1629 150 150 TRP HE3 H 6.792 0.002 1 1630 150 150 TRP HZ3 H 6.942 0.002 1 1631 150 150 TRP C C 177.334 0.300 1 1632 150 150 TRP CA C 57.233 0.300 1 1633 150 150 TRP CB C 31.258 0.300 1 1634 150 150 TRP N N 120.709 0.300 1 1635 150 150 TRP NE1 N 129.466 0.300 1 1636 151 151 VAL H H 9.823 0.002 1 1637 151 151 VAL HA H 4.979 0.002 1 1638 151 151 VAL HB H 1.907 0.002 1 1639 151 151 VAL HG1 H 0.780 0.002 2 1640 151 151 VAL HG2 H 0.758 0.002 2 1641 151 151 VAL C C 174.470 0.300 1 1642 151 151 VAL CA C 59.841 0.300 1 1643 151 151 VAL CB C 33.993 0.300 1 1644 151 151 VAL CG1 C 25.037 0.300 2 1645 151 151 VAL CG2 C 20.452 0.300 2 1646 151 151 VAL N N 123.128 0.300 1 1647 152 152 TYR H H 8.845 0.002 1 1648 152 152 TYR HA H 5.641 0.002 1 1649 152 152 TYR HB2 H 2.574 0.002 2 1650 152 152 TYR HB3 H 2.357 0.002 2 1651 152 152 TYR HD1 H 6.860 0.002 3 1652 152 152 TYR HD2 H 6.860 0.002 3 1653 152 152 TYR C C 175.174 0.300 1 1654 152 152 TYR CA C 56.937 0.300 1 1655 152 152 TYR CB C 46.572 0.300 1 1656 152 152 TYR N N 116.381 0.300 1 1657 153 153 ASP H H 9.159 0.002 1 1658 153 153 ASP HA H 4.942 0.002 1 1659 153 153 ASP HB2 H 2.640 0.002 2 1660 153 153 ASP HB3 H 2.414 0.002 2 1661 153 153 ASP CA C 53.483 0.300 1 1662 153 153 ASP CB C 45.493 0.300 1 1663 153 153 ASP N N 115.132 0.300 1 1664 154 154 LEU H H 7.726 0.002 1 1665 154 154 LEU HA H 4.769 0.002 1 1666 154 154 LEU HB2 H 0.978 0.002 2 1667 154 154 LEU HB3 H 1.700 0.002 2 1668 154 154 LEU HG H 1.032 0.002 1 1669 154 154 LEU HD1 H -0.008 0.002 2 1670 154 154 LEU HD2 H 0.254 0.002 2 1671 154 154 LEU C C 174.350 0.300 1 1672 154 154 LEU CA C 53.766 0.300 1 1673 154 154 LEU CB C 44.007 0.300 1 1674 154 154 LEU CG C 27.183 0.300 1 1675 154 154 LEU CD1 C 24.712 0.300 2 1676 154 154 LEU CD2 C 24.494 0.300 2 1677 154 154 LEU N N 125.403 0.300 1 1678 155 155 VAL H H 7.987 0.002 1 1679 155 155 VAL HA H 3.325 0.002 1 1680 155 155 VAL HB H 1.107 0.002 1 1681 155 155 VAL HG1 H 0.571 0.002 2 1682 155 155 VAL HG2 H 0.380 0.002 2 1683 155 155 VAL C C 171.326 0.300 1 1684 155 155 VAL CA C 65.594 0.300 1 1685 155 155 VAL CB C 31.323 0.300 1 1686 155 155 VAL CG1 C 20.624 0.300 2 1687 155 155 VAL CG2 C 21.395 0.300 2 1688 155 155 VAL N N 123.814 0.300 1 1689 156 156 ILE H H 8.405 0.002 1 1690 156 156 ILE HA H 4.590 0.002 1 1691 156 156 ILE HB H 1.858 0.002 1 1692 156 156 ILE HG12 H 1.280 0.002 2 1693 156 156 ILE HG13 H 1.684 0.002 2 1694 156 156 ILE HG2 H 0.843 0.002 1 1695 156 156 ILE HD1 H 0.494 0.002 1 1696 156 156 ILE CA C 56.221 0.300 1 1697 156 156 ILE CB C 37.152 0.300 1 1698 156 156 ILE CG1 C 26.109 0.300 1 1699 156 156 ILE CG2 C 19.313 0.300 1 1700 156 156 ILE CD1 C 12.984 0.300 1 1701 156 156 ILE N N 129.817 0.300 1 1702 157 157 PRO HA H 3.960 0.002 1 1703 157 157 PRO HB2 H 2.249 0.002 2 1704 157 157 PRO HB3 H 1.813 0.002 2 1705 157 157 PRO HG2 H 1.811 0.002 2 1706 157 157 PRO HG3 H 1.966 0.002 2 1707 157 157 PRO HD2 H 3.785 0.002 2 1708 157 157 PRO HD3 H 3.785 0.002 2 1709 157 157 PRO C C 177.753 0.300 1 1710 157 157 PRO CA C 64.867 0.300 1 1711 157 157 PRO CB C 32.242 0.300 1 1712 157 157 PRO CG C 27.460 0.300 1 1713 157 157 PRO CD C 50.312 0.300 1 1714 158 158 GLU H H 8.514 0.002 1 1715 158 158 GLU HA H 3.798 0.002 1 1716 158 158 GLU HB2 H 2.051 0.002 2 1717 158 158 GLU HB3 H 1.872 0.002 2 1718 158 158 GLU HG2 H 2.263 0.002 2 1719 158 158 GLU HG3 H 2.263 0.002 2 1720 158 158 GLU C C 177.331 0.300 1 1721 158 158 GLU CA C 60.352 0.300 1 1722 158 158 GLU CB C 29.790 0.300 1 1723 158 158 GLU CG C 36.098 0.300 1 1724 158 158 GLU N N 114.041 0.300 1 1725 159 159 THR HA H 4.293 0.002 1 1726 159 159 THR HB H 4.112 0.002 1 1727 159 159 THR HG2 H 0.999 0.002 1 1728 159 159 THR CA C 61.164 0.300 1 1729 159 159 THR CB C 69.357 0.300 1 1730 159 159 THR CG2 C 22.460 0.300 1 1731 160 160 HIS HA H 4.558 0.002 1 1732 160 160 HIS HB2 H 2.984 0.002 2 1733 160 160 HIS HB3 H 2.813 0.002 2 1734 160 160 HIS HD2 H 7.113 0.002 1 1735 160 160 HIS CA C 56.471 0.300 1 1736 160 160 HIS CB C 26.949 0.300 1 1737 160 160 HIS CD2 C 120.559 0.300 1 1738 161 161 ASN H H 7.409 0.002 1 1739 161 161 ASN HA H 5.495 0.002 1 1740 161 161 ASN HB2 H 2.543 0.002 2 1741 161 161 ASN HB3 H 2.359 0.002 2 1742 161 161 ASN HD21 H 8.020 0.002 2 1743 161 161 ASN HD22 H 6.818 0.002 2 1744 161 161 ASN C C 172.784 0.300 1 1745 161 161 ASN CA C 53.627 0.300 1 1746 161 161 ASN CB C 43.014 0.300 1 1747 161 161 ASN N N 112.009 0.300 1 1748 161 161 ASN ND2 N 113.641 0.300 1 1749 162 162 PHE H H 9.122 0.002 1 1750 162 162 PHE HA H 5.669 0.002 1 1751 162 162 PHE HB2 H 3.354 0.002 2 1752 162 162 PHE HB3 H 2.995 0.002 2 1753 162 162 PHE HD1 H 7.260 0.002 3 1754 162 162 PHE HD2 H 7.260 0.002 3 1755 162 162 PHE C C 172.062 0.300 1 1756 162 162 PHE CA C 55.767 0.300 1 1757 162 162 PHE CB C 42.015 0.300 1 1758 162 162 PHE N N 117.936 0.300 1 1759 163 163 ILE H H 8.138 0.002 1 1760 163 163 ILE HA H 4.525 0.002 1 1761 163 163 ILE HB H 1.448 0.002 1 1762 163 163 ILE HG12 H 0.796 0.002 2 1763 163 163 ILE HG13 H 0.796 0.002 2 1764 163 163 ILE HG2 H 0.829 0.002 1 1765 163 163 ILE HD1 H 0.611 0.002 1 1766 163 163 ILE C C 175.944 0.300 1 1767 163 163 ILE CA C 60.419 0.300 1 1768 163 163 ILE CB C 39.099 0.300 1 1769 163 163 ILE CG1 C 28.310 0.300 1 1770 163 163 ILE CG2 C 17.928 0.300 1 1771 163 163 ILE CD1 C 14.364 0.300 1 1772 163 163 ILE N N 118.944 0.300 1 1773 164 164 ALA H H 8.855 0.002 1 1774 164 164 ALA HA H 4.626 0.002 1 1775 164 164 ALA HB H 1.485 0.002 1 1776 164 164 ALA C C 176.524 0.300 1 1777 164 164 ALA CA C 50.869 0.300 1 1778 164 164 ALA CB C 18.245 0.300 1 1779 164 164 ALA N N 130.875 0.300 1 1780 165 165 PRO HA H 4.055 0.002 1 1781 165 165 PRO HB2 H 2.328 0.002 2 1782 165 165 PRO HB3 H 1.968 0.002 2 1783 165 165 PRO HG2 H 1.836 0.002 2 1784 165 165 PRO HG3 H 2.036 0.002 2 1785 165 165 PRO HD2 H 3.725 0.002 2 1786 165 165 PRO HD3 H 3.605 0.002 2 1787 165 165 PRO C C 175.696 0.300 1 1788 165 165 PRO CA C 65.412 0.300 1 1789 165 165 PRO CB C 31.471 0.300 1 1790 165 165 PRO CG C 28.489 0.300 1 1791 165 165 PRO CD C 51.000 0.300 1 1792 166 166 ASN H H 7.110 0.002 1 1793 166 166 ASN HA H 4.406 0.002 1 1794 166 166 ASN HB2 H 2.478 0.002 2 1795 166 166 ASN HB3 H 2.273 0.002 2 1796 166 166 ASN HD21 H 5.728 0.002 2 1797 166 166 ASN HD22 H 5.320 0.002 2 1798 166 166 ASN C C 175.829 0.300 1 1799 166 166 ASN CA C 51.700 0.300 1 1800 166 166 ASN CB C 36.810 0.300 1 1801 166 166 ASN N N 110.242 0.300 1 1802 166 166 ASN ND2 N 105.601 0.300 1 1803 167 167 GLY H H 8.382 0.002 1 1804 167 167 GLY HA2 H 3.138 0.002 2 1805 167 167 GLY HA3 H 4.443 0.002 2 1806 167 167 GLY C C 174.016 0.300 1 1807 167 167 GLY CA C 44.914 0.300 1 1808 167 167 GLY N N 107.896 0.300 1 1809 168 168 LEU H H 7.253 0.002 1 1810 168 168 LEU HA H 4.056 0.002 1 1811 168 168 LEU HB2 H 1.506 0.002 2 1812 168 168 LEU HB3 H 0.952 0.002 2 1813 168 168 LEU HG H 1.071 0.002 1 1814 168 168 LEU HD1 H 0.429 0.002 2 1815 168 168 LEU HD2 H 0.117 0.002 2 1816 168 168 LEU C C 175.183 0.300 1 1817 168 168 LEU CA C 55.870 0.300 1 1818 168 168 LEU CB C 40.912 0.300 1 1819 168 168 LEU CG C 26.622 0.300 1 1820 168 168 LEU CD1 C 25.859 0.300 2 1821 168 168 LEU CD2 C 22.071 0.300 2 1822 168 168 LEU N N 118.313 0.300 1 1823 169 169 VAL HA H 4.140 0.002 1 1824 169 169 VAL HB H 2.008 0.002 1 1825 169 169 VAL HG1 H 0.864 0.002 2 1826 169 169 VAL HG2 H 0.814 0.002 2 1827 169 169 VAL C C 175.014 0.300 1 1828 169 169 VAL CA C 62.028 0.300 1 1829 169 169 VAL CB C 31.514 0.300 1 1830 169 169 VAL CG1 C 22.137 0.300 2 1831 169 169 VAL CG2 C 21.394 0.300 2 1832 170 170 LEU H H 8.994 0.002 1 1833 170 170 LEU HA H 4.730 0.002 1 1834 170 170 LEU HB2 H 1.029 0.002 2 1835 170 170 LEU HB3 H 0.700 0.002 2 1836 170 170 LEU HG H 1.231 0.002 1 1837 170 170 LEU HD1 H 0.614 0.002 2 1838 170 170 LEU HD2 H 0.394 0.002 2 1839 170 170 LEU CA C 53.221 0.300 1 1840 170 170 LEU CB C 41.853 0.300 1 1841 170 170 LEU CG C 27.236 0.300 1 1842 170 170 LEU CD1 C 23.836 0.300 2 1843 170 170 LEU CD2 C 25.214 0.300 2 1844 170 170 LEU N N 130.247 0.300 1 1845 171 171 HIS HA H 4.565 0.002 1 1846 171 171 HIS HB2 H 2.560 0.002 2 1847 171 171 HIS HB3 H 2.798 0.002 2 1848 171 171 HIS CA C 55.528 0.300 1 1849 172 172 ASN H H 7.857 0.002 1 1850 172 172 ASN HA H 4.714 0.002 1 1851 172 172 ASN HB2 H 2.726 0.002 2 1852 172 172 ASN HB3 H 3.139 0.002 2 1853 172 172 ASN CA C 55.849 0.300 1 1854 172 172 ASN N N 125.325 0.300 1 stop_ save_