data_17811 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of MsPTH ; _BMRB_accession_number 17811 _BMRB_flat_file_name bmr17811.str _Entry_type original _Submission_date 2011-07-27 _Accession_date 2011-07-27 _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 Yadav Rahul . . 2 Pathak 'Prem Prakash' . . 3 Pulavarti 'SVSR Krishna' . . 4 Jain Anupam . . 5 Kumar Ashok . . 6 Shukla 'Vaibhav Kumar' . . 7 Arora Ashish . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 949 "13C chemical shifts" 735 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-30 original author . stop_ _Original_release_date 2012-08-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of MsPTH' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yadav Rahul . . 2 Pathak 'Prem Prakash' . . 3 Pulavarti 'SVSR Krishna' . . 4 Jain Anupam . . 5 Kumar Ashok . . 6 Shukla 'Vaibhav Kumar' . . 7 Arora Ashish . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MsPTH _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MsPTH $MsPTH 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_MsPTH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MsPTH _Molecular_mass 20306.486 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 191 _Mol_residue_sequence ; MAEPLLVVGLGNPGPTYAKT RHNLGFMVADVLAGRIGSAF KVHKKSGAEVVTGRLAGTSV VLAKPRCYMNESGRQVGPLA KFYSVPPQQIVVIHDELDID FGRIRLKLGGGEGGHNGLRS VASALGTKNFHRVRIGVGRP PGRKDPAAFVLENFTAAERA EVPTIVEQAADATELLIAQG LEPAQNTVHAW ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 PRO 5 LEU 6 LEU 7 VAL 8 VAL 9 GLY 10 LEU 11 GLY 12 ASN 13 PRO 14 GLY 15 PRO 16 THR 17 TYR 18 ALA 19 LYS 20 THR 21 ARG 22 HIS 23 ASN 24 LEU 25 GLY 26 PHE 27 MET 28 VAL 29 ALA 30 ASP 31 VAL 32 LEU 33 ALA 34 GLY 35 ARG 36 ILE 37 GLY 38 SER 39 ALA 40 PHE 41 LYS 42 VAL 43 HIS 44 LYS 45 LYS 46 SER 47 GLY 48 ALA 49 GLU 50 VAL 51 VAL 52 THR 53 GLY 54 ARG 55 LEU 56 ALA 57 GLY 58 THR 59 SER 60 VAL 61 VAL 62 LEU 63 ALA 64 LYS 65 PRO 66 ARG 67 CYS 68 TYR 69 MET 70 ASN 71 GLU 72 SER 73 GLY 74 ARG 75 GLN 76 VAL 77 GLY 78 PRO 79 LEU 80 ALA 81 LYS 82 PHE 83 TYR 84 SER 85 VAL 86 PRO 87 PRO 88 GLN 89 GLN 90 ILE 91 VAL 92 VAL 93 ILE 94 HIS 95 ASP 96 GLU 97 LEU 98 ASP 99 ILE 100 ASP 101 PHE 102 GLY 103 ARG 104 ILE 105 ARG 106 LEU 107 LYS 108 LEU 109 GLY 110 GLY 111 GLY 112 GLU 113 GLY 114 GLY 115 HIS 116 ASN 117 GLY 118 LEU 119 ARG 120 SER 121 VAL 122 ALA 123 SER 124 ALA 125 LEU 126 GLY 127 THR 128 LYS 129 ASN 130 PHE 131 HIS 132 ARG 133 VAL 134 ARG 135 ILE 136 GLY 137 VAL 138 GLY 139 ARG 140 PRO 141 PRO 142 GLY 143 ARG 144 LYS 145 ASP 146 PRO 147 ALA 148 ALA 149 PHE 150 VAL 151 LEU 152 GLU 153 ASN 154 PHE 155 THR 156 ALA 157 ALA 158 GLU 159 ARG 160 ALA 161 GLU 162 VAL 163 PRO 164 THR 165 ILE 166 VAL 167 GLU 168 GLN 169 ALA 170 ALA 171 ASP 172 ALA 173 THR 174 GLU 175 LEU 176 LEU 177 ILE 178 ALA 179 GLN 180 GLY 181 LEU 182 GLU 183 PRO 184 ALA 185 GLN 186 ASN 187 THR 188 VAL 189 HIS 190 ALA 191 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2LGJ "Solution Structure Of Mspth" 100.00 191 100.00 100.00 1.86e-134 PDB 3KJZ "Crystal Structure Of Native Peptidyl-Trna Hydrolase From Mycobacterium Smegmatis" 100.00 191 97.91 98.95 7.25e-131 PDB 3KK0 "Crystal Structure Of Partially Folded Intermediate State Of Peptidyl- Trna Hydrolase From Mycobacterium Smegmatis" 100.00 191 97.91 98.95 7.25e-131 PDB 3P2J "Crystal Structure Of Peptidyl-Trna Hydrolase From Mycobacterium Smegmatis At 2.2 A Resolution" 100.00 191 97.91 98.95 7.25e-131 EMBL CKI31238 "peptidyl-tRNA hydrolase [Mycobacterium smegmatis]" 100.00 191 99.48 100.00 7.72e-134 GB ABK75581 "peptidyl-tRNA hydrolase [Mycobacterium smegmatis str. MC2 155]" 100.00 191 100.00 100.00 1.86e-134 GB AFP41725 "Peptidyl-tRNA hydrolase [Mycobacterium smegmatis str. MC2 155]" 100.00 191 100.00 100.00 1.86e-134 GB AIU10451 "peptidyl-tRNA hydrolase [Mycobacterium smegmatis str. MC2 155]" 100.00 191 100.00 100.00 1.86e-134 GB AIU17076 "peptidyl-tRNA hydrolase [Mycobacterium smegmatis]" 100.00 191 100.00 100.00 1.86e-134 GB AIU23699 "peptidyl-tRNA hydrolase [Mycobacterium smegmatis]" 100.00 191 100.00 100.00 1.86e-134 REF WP_003896829 "peptidyl-tRNA hydrolase [Mycobacterium smegmatis]" 100.00 191 99.48 100.00 7.72e-134 REF WP_011730530 "peptidyl-tRNA hydrolase [Mycobacterium smegmatis]" 100.00 191 100.00 100.00 1.86e-134 REF YP_889671 "peptidyl-tRNA hydrolase [Mycobacterium smegmatis str. MC2 155]" 100.00 191 100.00 100.00 1.86e-134 SP A0R3D3 "RecName: Full=Peptidyl-tRNA hydrolase; Short=PTH" 100.00 191 100.00 100.00 1.86e-134 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 $MsPTH 'Mycobacterium smegmatis' 1772 Bacteria . Mycobacterium smegmatis pth 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 $MsPTH 'recombinant technology' . Escherichia coli . pETNH6 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 $MsPTH 1 mM '[U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'AEBSF protease inhibitor' 1 mM 'natural abundance' 'sodium azide' 1 % 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MsPTH 1 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'AEBSF protease inhibitor' 1 mM 'natural abundance' 'sodium azide' 1 % 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MsPTH 0.9 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'AEBSF protease inhibitor' 1 mM 'natural abundance' 'sodium azide' 1 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version + loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' 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_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 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 800 _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_2D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_HB(CBCGCE)HE_15 _Saveframe_category NMR_applied_experiment _Experiment_name HB(CBCGCE)HE _Sample_label $sample_2 save_ save_HB(CBCGCD)HD_16 _Saveframe_category NMR_applied_experiment _Experiment_name HB(CBCGCD)HD _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D HN(CA)CO' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' HB(CBCGCE)HE HB(CBCGCD)HD stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MsPTH _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 MET HA H 4.315 0.020 1 2 1 1 MET HB2 H 1.989 0.020 2 3 1 1 MET HB3 H 1.989 0.020 2 4 1 1 MET HG2 H 2.642 0.020 2 5 1 1 MET HG3 H 2.460 0.020 2 6 1 1 MET HE H 8.101 0.020 1 7 1 1 MET C C 174.935 0.3 1 8 1 1 MET CA C 56.140 0.3 1 9 1 1 MET CB C 34.392 0.3 1 10 1 1 MET CG C 33.150 0.3 1 11 1 1 MET N N 118.395 0.3 1 12 2 2 ALA H H 8.096 0.020 1 13 2 2 ALA HA H 4.177 0.020 1 14 2 2 ALA HB H 1.303 0.020 1 15 2 2 ALA C C 174.029 0.3 1 16 2 2 ALA CA C 51.859 0.3 1 17 2 2 ALA CB C 19.596 0.3 1 18 2 2 ALA N N 125.183 0.3 1 19 3 3 GLU H H 7.483 0.020 1 20 3 3 GLU HA H 4.199 0.020 1 21 3 3 GLU HB2 H 1.967 0.020 1 22 3 3 GLU HB3 H 1.967 0.020 1 23 3 3 GLU HG2 H 2.344 0.020 1 24 3 3 GLU HG3 H 2.344 0.020 1 25 3 3 GLU C C 175.812 0.3 1 26 3 3 GLU CA C 53.503 0.3 1 27 3 3 GLU CB C 31.584 0.3 1 28 3 3 GLU N N 113.075 0.3 1 29 4 4 PRO HA H 4.775 0.020 1 30 4 4 PRO HB2 H 2.255 0.020 2 31 4 4 PRO HB3 H 2.225 0.020 2 32 4 4 PRO C C 174.213 0.3 1 33 4 4 PRO CA C 62.271 0.3 1 34 4 4 PRO CB C 34.529 0.3 1 35 4 4 PRO CG C 27.342 0.3 1 36 5 5 LEU H H 7.953 0.020 1 37 5 5 LEU HA H 4.300 0.020 1 38 5 5 LEU HB2 H 1.990 0.020 2 39 5 5 LEU HB3 H 1.990 0.020 2 40 5 5 LEU HG H 1.487 0.020 1 41 5 5 LEU HD1 H 0.832 0.020 1 42 5 5 LEU HD2 H 0.832 0.020 1 43 5 5 LEU C C 174.926 0.3 1 44 5 5 LEU CA C 54.188 0.3 1 45 5 5 LEU CB C 45.694 0.3 1 46 5 5 LEU CG C 27.245 0.3 1 47 5 5 LEU CD1 C 25.385 0.3 1 48 5 5 LEU CD2 C 25.385 0.3 1 49 5 5 LEU N N 120.181 0.3 1 50 6 6 LEU H H 8.456 0.020 1 51 6 6 LEU HA H 5.287 0.020 1 52 6 6 LEU HB2 H 1.885 0.020 1 53 6 6 LEU HB3 H 1.885 0.020 1 54 6 6 LEU HG H 1.064 0.020 1 55 6 6 LEU HD1 H 0.642 0.020 1 56 6 6 LEU HD2 H 0.642 0.020 1 57 6 6 LEU C C 173.293 0.3 1 58 6 6 LEU CA C 52.887 0.3 1 59 6 6 LEU CB C 45.694 0.3 1 60 6 6 LEU CG C 25.802 0.3 1 61 6 6 LEU CD1 C 23.525 0.3 1 62 6 6 LEU CD2 C 23.525 0.3 1 63 6 6 LEU N N 124.663 0.3 1 64 7 7 VAL H H 9.456 0.020 1 65 7 7 VAL HA H 4.999 0.020 1 66 7 7 VAL HB H 1.599 0.020 1 67 7 7 VAL HG1 H 0.966 0.020 1 68 7 7 VAL HG2 H 0.709 0.020 1 69 7 7 VAL C C 174.006 0.3 1 70 7 7 VAL CA C 60.353 0.3 1 71 7 7 VAL CB C 32.698 0.3 1 72 7 7 VAL CG1 C 21.993 0.3 1 73 7 7 VAL CG2 C 20.108 0.3 1 74 7 7 VAL N N 128.364 0.3 1 75 8 8 VAL H H 9.571 0.020 1 76 8 8 VAL HA H 5.054 0.020 1 77 8 8 VAL HB H 1.904 0.020 1 78 8 8 VAL HG1 H 0.721 0.020 1 79 8 8 VAL HG2 H 0.721 0.020 1 80 8 8 VAL C C 175.433 0.3 1 81 8 8 VAL CA C 59.737 0.3 1 82 8 8 VAL CB C 35.556 0.3 1 83 8 8 VAL CG1 C 21.043 0.3 1 84 8 8 VAL CG2 C 20.937 0.3 1 85 8 8 VAL N N 126.000 0.3 1 86 9 9 GLY H H 8.692 0.020 1 87 9 9 GLY HA2 H 4.727 0.020 2 88 9 9 GLY HA3 H 3.291 0.020 2 89 9 9 GLY C C 171.378 0.3 1 90 9 9 GLY CA C 44.804 0.3 1 91 9 9 GLY N N 112.757 0.3 1 92 10 10 LEU H H 7.147 0.020 1 93 10 10 LEU HA H 4.733 0.020 1 94 10 10 LEU HB2 H 1.924 0.020 1 95 10 10 LEU HB3 H 1.924 0.020 1 96 10 10 LEU HG H 1.380 0.020 1 97 10 10 LEU HD1 H 0.683 0.020 1 98 10 10 LEU HD2 H 0.683 0.020 1 99 10 10 LEU C C 175.715 0.3 1 100 10 10 LEU CA C 54.188 0.3 1 101 10 10 LEU CB C 42.543 0.3 1 102 10 10 LEU CG C 26.441 0.3 1 103 10 10 LEU CD1 C 21.389 0.3 1 104 10 10 LEU N N 119.466 0.3 1 105 11 11 GLY H H 7.281 0.020 1 106 11 11 GLY HA2 H 3.712 0.020 2 107 11 11 GLY HA3 H 1.541 0.020 2 108 11 11 GLY C C 170.233 0.3 1 109 11 11 GLY CA C 44.393 0.3 1 110 11 11 GLY N N 109.192 0.3 1 111 12 12 ASN H H 8.946 0.020 1 112 12 12 ASN HA H 4.762 0.020 1 113 12 12 ASN HB2 H 3.038 0.020 2 114 12 12 ASN HB3 H 2.720 0.020 2 115 12 12 ASN C C 173.746 0.3 1 116 12 12 ASN CA C 49.941 0.3 1 117 12 12 ASN CB C 41.516 0.3 1 118 12 12 ASN N N 115.701 0.3 1 119 13 13 PRO HA H 4.415 0.020 1 120 13 13 PRO HB2 H 2.195 0.020 1 121 13 13 PRO HB3 H 2.195 0.020 1 122 13 13 PRO HG2 H 1.898 0.020 1 123 13 13 PRO HG3 H 1.898 0.020 1 124 13 13 PRO HD2 H 3.543 0.020 1 125 13 13 PRO HD3 H 3.543 0.020 1 126 13 13 PRO C C 177.498 0.3 1 127 13 13 PRO CA C 62.254 0.3 1 128 13 13 PRO CB C 31.926 0.3 1 129 13 13 PRO CG C 28.478 0.3 1 130 13 13 PRO CD C 51.362 0.3 1 131 14 14 GLY H H 8.464 0.020 1 132 14 14 GLY HA2 H 4.703 0.020 2 133 14 14 GLY HA3 H 3.751 0.020 2 134 14 14 GLY C C 174.878 0.3 1 135 14 14 GLY CA C 47.133 0.3 1 136 14 14 GLY N N 108.978 0.3 1 137 16 16 THR HA H 4.265 0.020 1 138 16 16 THR HB H 3.667 0.020 1 139 16 16 THR HG2 H 0.808 0.020 1 140 16 16 THR C C 175.848 0.3 1 141 16 16 THR CA C 65.148 0.3 1 142 16 16 THR CB C 68.505 0.3 1 143 16 16 THR CG2 C 21.253 0.3 1 144 17 17 TYR H H 7.025 0.020 1 145 17 17 TYR HA H 4.656 0.020 1 146 17 17 TYR HB2 H 2.327 0.020 1 147 17 17 TYR HB3 H 2.327 0.020 1 148 17 17 TYR HD1 H 7.136 0.020 1 149 17 17 TYR HD2 H 7.136 0.020 1 150 17 17 TYR C C 177.649 0.3 1 151 17 17 TYR CA C 58.367 0.3 1 152 17 17 TYR CB C 39.324 0.3 1 153 17 17 TYR CD1 C 131.308 0.3 1 154 17 17 TYR CD2 C 131.308 0.3 1 155 17 17 TYR N N 117.133 0.3 1 156 18 18 ALA H H 7.100 0.020 1 157 18 18 ALA HA H 4.354 0.020 1 158 18 18 ALA HB H 1.564 0.020 1 159 18 18 ALA C C 178.212 0.3 1 160 18 18 ALA CA C 55.627 0.3 1 161 18 18 ALA CB C 19.939 0.3 1 162 18 18 ALA N N 122.126 0.3 1 163 19 19 LYS H H 8.648 0.020 1 164 19 19 LYS HA H 4.683 0.020 1 165 19 19 LYS HB2 H 2.198 0.020 1 166 19 19 LYS HB3 H 2.198 0.020 1 167 19 19 LYS HG2 H 1.446 0.020 1 168 19 19 LYS HG3 H 1.446 0.020 1 169 19 19 LYS HD2 H 1.656 0.020 2 170 19 19 LYS HD3 H 1.656 0.020 2 171 19 19 LYS HE2 H 3.016 0.020 1 172 19 19 LYS HE3 H 3.016 0.020 1 173 19 19 LYS C C 175.640 0.3 1 174 19 19 LYS CA C 54.942 0.3 1 175 19 19 LYS CB C 32.063 0.3 1 176 19 19 LYS CG C 25.084 0.3 1 177 19 19 LYS CD C 29.230 0.3 1 178 19 19 LYS CE C 42.273 0.3 1 179 19 19 LYS N N 115.311 0.3 1 180 20 20 THR H H 7.349 0.020 1 181 20 20 THR HA H 4.392 0.020 1 182 20 20 THR HB H 3.495 0.020 1 183 20 20 THR HG2 H 1.171 0.020 1 184 20 20 THR C C 175.752 0.3 1 185 20 20 THR CA C 60.970 0.3 1 186 20 20 THR CB C 72.932 0.3 1 187 20 20 THR CG2 C 21.314 0.3 1 188 20 20 THR N N 108.478 0.3 1 189 21 21 ARG H H 7.011 0.020 1 190 21 21 ARG HA H 3.706 0.020 1 191 21 21 ARG HB2 H 2.056 0.020 2 192 21 21 ARG HB3 H 2.056 0.020 2 193 21 21 ARG HG2 H 1.607 0.020 1 194 21 21 ARG HG3 H 1.607 0.020 1 195 21 21 ARG HD2 H 2.795 0.020 1 196 21 21 ARG HD3 H 2.795 0.020 1 197 21 21 ARG C C 177.480 0.3 1 198 21 21 ARG CA C 60.083 0.3 1 199 21 21 ARG CB C 29.957 0.3 1 200 21 21 ARG CG C 26.441 0.3 1 201 21 21 ARG CD C 42.197 0.3 1 202 21 21 ARG N N 117.638 0.3 1 203 22 22 HIS H H 8.162 0.020 1 204 22 22 HIS HA H 3.861 0.020 1 205 22 22 HIS HB2 H 2.858 0.020 1 206 22 22 HIS HB3 H 2.858 0.020 1 207 22 22 HIS HD2 H 7.107 0.020 1 208 22 22 HIS C C 173.274 0.3 1 209 22 22 HIS CA C 53.434 0.3 1 210 22 22 HIS CB C 29.460 0.3 1 211 22 22 HIS CD2 C 116.159 0.3 1 212 22 22 HIS N N 115.074 0.3 1 213 23 23 ASN H H 7.730 0.020 1 214 23 23 ASN HA H 4.785 0.020 1 215 23 23 ASN HB2 H 2.703 0.020 1 216 23 23 ASN HB3 H 2.703 0.020 1 217 23 23 ASN C C 177.104 0.3 1 218 23 23 ASN CA C 53.024 0.3 1 219 23 23 ASN CB C 38.776 0.3 1 220 23 23 ASN N N 116.439 0.3 1 221 24 24 LEU H H 7.939 0.020 1 222 24 24 LEU HA H 4.346 0.020 1 223 24 24 LEU HB2 H 1.385 0.020 1 224 24 24 LEU HB3 H 1.385 0.020 1 225 24 24 LEU HG H 1.080 0.020 1 226 24 24 LEU HD1 H 0.630 0.020 1 227 24 24 LEU HD2 H 0.630 0.020 1 228 24 24 LEU C C 178.681 0.3 1 229 24 24 LEU CA C 59.531 0.3 1 230 24 24 LEU CB C 43.982 0.3 1 231 24 24 LEU CG C 26.365 0.3 1 232 24 24 LEU CD1 C 23.877 0.3 1 233 24 24 LEU CD2 C 21.766 0.3 1 234 24 24 LEU N N 123.226 0.3 1 235 25 25 GLY H H 9.209 0.020 1 236 25 25 GLY HA2 H 4.402 0.020 2 237 25 25 GLY HA3 H 3.518 0.020 2 238 25 25 GLY C C 176.635 0.3 1 239 25 25 GLY CA C 48.640 0.3 1 240 25 25 GLY N N 104.146 0.3 1 241 26 26 PHE H H 7.089 0.020 1 242 26 26 PHE HA H 4.120 0.020 1 243 26 26 PHE HB2 H 3.200 0.020 1 244 26 26 PHE HB3 H 3.200 0.020 1 245 26 26 PHE HD1 H 7.093 0.020 1 246 26 26 PHE HD2 H 7.093 0.020 1 247 26 26 PHE C C 177.498 0.3 1 248 26 26 PHE CA C 58.778 0.3 1 249 26 26 PHE CB C 37.269 0.3 1 250 26 26 PHE CD1 C 128.833 0.3 1 251 26 26 PHE CD2 C 128.833 0.3 1 252 26 26 PHE N N 123.654 0.3 1 253 27 27 MET H H 8.061 0.020 1 254 27 27 MET HA H 4.257 0.020 1 255 27 27 MET HB2 H 1.356 0.020 2 256 27 27 MET HB3 H 1.356 0.020 2 257 27 27 MET HG2 H 2.092 0.020 1 258 27 27 MET HG3 H 2.092 0.020 1 259 27 27 MET C C 179.977 0.3 1 260 27 27 MET CA C 59.839 0.3 1 261 27 27 MET CB C 33.377 0.3 1 262 27 27 MET CG C 35.563 0.3 1 263 27 27 MET N N 117.508 0.3 1 264 28 28 VAL H H 8.325 0.020 1 265 28 28 VAL HA H 3.622 0.020 1 266 28 28 VAL HB H 2.145 0.020 1 267 28 28 VAL HG1 H 1.199 0.020 1 268 28 28 VAL HG2 H 0.881 0.020 1 269 28 28 VAL C C 177.818 0.3 1 270 28 28 VAL CA C 65.970 0.3 1 271 28 28 VAL CB C 32.063 0.3 1 272 28 28 VAL CG1 C 23.350 0.3 1 273 28 28 VAL CG2 C 21.389 0.3 1 274 28 28 VAL N N 119.068 0.3 1 275 29 29 ALA H H 8.647 0.020 1 276 29 29 ALA HA H 4.028 0.020 1 277 29 29 ALA HB H 1.439 0.020 1 278 29 29 ALA C C 178.831 0.3 1 279 29 29 ALA CA C 56.038 0.3 1 280 29 29 ALA CB C 17.473 0.3 1 281 29 29 ALA N N 123.327 0.3 1 282 30 30 ASP H H 8.574 0.020 1 283 30 30 ASP HA H 4.679 0.020 1 284 30 30 ASP HB2 H 2.814 0.020 2 285 30 30 ASP HB3 H 2.623 0.020 2 286 30 30 ASP C C 180.089 0.3 1 287 30 30 ASP CA C 58.161 0.3 1 288 30 30 ASP CB C 39.666 0.3 1 289 30 30 ASP N N 118.148 0.3 1 290 31 31 VAL H H 7.482 0.020 1 291 31 31 VAL HA H 3.795 0.020 1 292 31 31 VAL HB H 1.830 0.020 1 293 31 31 VAL HG1 H 1.083 0.020 1 294 31 31 VAL HG2 H 0.842 0.020 1 295 31 31 VAL C C 180.070 0.3 1 296 31 31 VAL CA C 66.724 0.3 1 297 31 31 VAL CB C 31.584 0.3 1 298 31 31 VAL CG1 C 23.727 0.3 1 299 31 31 VAL CG2 C 22.068 0.3 1 300 31 31 VAL N N 123.410 0.3 1 301 32 32 LEU H H 8.785 0.020 1 302 32 32 LEU HA H 3.866 0.020 1 303 32 32 LEU HB2 H 1.818 0.020 2 304 32 32 LEU HB3 H 1.818 0.020 2 305 32 32 LEU HG H 1.534 0.020 1 306 32 32 LEU HD1 H 0.788 0.020 1 307 32 32 LEU HD2 H 0.788 0.020 1 308 32 32 LEU C C 178.249 0.3 1 309 32 32 LEU CA C 58.367 0.3 1 310 32 32 LEU CB C 42.269 0.3 1 311 32 32 LEU CG C 26.968 0.3 1 312 32 32 LEU CD1 C 24.405 0.3 1 313 32 32 LEU CD2 C 23.727 0.3 1 314 32 32 LEU N N 121.772 0.3 1 315 33 33 ALA H H 8.711 0.020 1 316 33 33 ALA HA H 3.610 0.020 1 317 33 33 ALA HB H 1.282 0.020 1 318 33 33 ALA C C 179.808 0.3 1 319 33 33 ALA CA C 55.832 0.3 1 320 33 33 ALA CB C 18.569 0.3 1 321 33 33 ALA N N 122.901 0.3 1 322 34 34 GLY H H 7.665 0.020 1 323 34 34 GLY HA2 H 3.851 0.020 1 324 34 34 GLY HA3 H 3.851 0.020 1 325 34 34 GLY C C 176.184 0.3 1 326 34 34 GLY CA C 46.790 0.3 1 327 34 34 GLY N N 105.309 0.3 1 328 35 35 ARG H H 7.623 0.020 1 329 35 35 ARG HA H 4.115 0.020 1 330 35 35 ARG HB2 H 1.937 0.020 1 331 35 35 ARG HB3 H 1.937 0.020 1 332 35 35 ARG HG2 H 1.673 0.020 1 333 35 35 ARG HG3 H 1.673 0.020 1 334 35 35 ARG HD2 H 2.755 0.020 1 335 35 35 ARG HD3 H 2.755 0.020 1 336 35 35 ARG C C 178.812 0.3 1 337 35 35 ARG CA C 59.394 0.3 1 338 35 35 ARG CB C 29.666 0.3 1 339 35 35 ARG CG C 27.496 0.3 1 340 35 35 ARG CD C 44.836 0.3 1 341 35 35 ARG N N 121.117 0.3 1 342 36 36 ILE H H 7.950 0.020 1 343 36 36 ILE HA H 3.722 0.020 1 344 36 36 ILE HB H 1.687 0.020 1 345 36 36 ILE HG12 H 1.247 0.020 1 346 36 36 ILE HG13 H 1.247 0.020 1 347 36 36 ILE HG2 H 0.703 0.020 1 348 36 36 ILE HD1 H 0.706 0.020 1 349 36 36 ILE C C 177.142 0.3 1 350 36 36 ILE CA C 64.600 0.3 1 351 36 36 ILE CB C 38.776 0.3 1 352 36 36 ILE CG1 C 29.456 0.3 1 353 36 36 ILE CG2 C 17.017 0.3 1 354 36 36 ILE CD1 C 13.775 0.3 1 355 36 36 ILE N N 120.413 0.3 1 356 37 37 GLY H H 8.305 0.020 1 357 37 37 GLY HA2 H 4.173 0.020 2 358 37 37 GLY HA3 H 3.715 0.020 2 359 37 37 GLY C C 174.307 0.3 1 360 37 37 GLY CA C 45.420 0.3 1 361 37 37 GLY N N 107.419 0.3 1 362 38 38 SER H H 7.101 0.020 1 363 38 38 SER HA H 4.683 0.020 1 364 38 38 SER HB2 H 3.442 0.020 2 365 38 38 SER HB3 H 3.442 0.020 2 366 38 38 SER C C 171.472 0.3 1 367 38 38 SER CA C 56.654 0.3 1 368 38 38 SER CB C 66.244 0.3 1 369 38 38 SER N N 113.320 0.3 1 370 39 39 ALA H H 8.032 0.020 1 371 39 39 ALA HA H 4.402 0.020 1 372 39 39 ALA HB H 1.342 0.020 1 373 39 39 ALA C C 177.708 0.3 1 374 39 39 ALA CA C 50.695 0.3 1 375 39 39 ALA CB C 20.624 0.3 1 376 39 39 ALA N N 123.838 0.3 1 377 40 40 PHE H H 8.066 0.020 1 378 40 40 PHE HA H 4.039 0.020 1 379 40 40 PHE HB2 H 2.734 0.020 1 380 40 40 PHE HB3 H 2.734 0.020 1 381 40 40 PHE HD1 H 7.101 0.020 1 382 40 40 PHE HD2 H 7.101 0.020 1 383 40 40 PHE C C 176.672 0.3 1 384 40 40 PHE CA C 59.942 0.3 1 385 40 40 PHE CB C 40.694 0.3 1 386 40 40 PHE CD1 C 130.449 0.3 1 387 40 40 PHE CD2 C 130.449 0.3 1 388 40 40 PHE N N 118.117 0.3 1 389 41 41 LYS H H 8.593 0.020 1 390 41 41 LYS HA H 4.762 0.020 1 391 41 41 LYS HB2 H 1.844 0.020 1 392 41 41 LYS HB3 H 1.844 0.020 1 393 41 41 LYS HG2 H 1.290 0.020 2 394 41 41 LYS HG3 H 1.290 0.020 2 395 41 41 LYS HD2 H 1.515 0.020 1 396 41 41 LYS HD3 H 1.515 0.020 1 397 41 41 LYS HE2 H 3.013 0.020 2 398 41 41 LYS HE3 H 3.013 0.020 2 399 41 41 LYS C C 176.034 0.3 1 400 41 41 LYS CA C 54.736 0.3 1 401 41 41 LYS CB C 36.310 0.3 1 402 41 41 LYS CG C 24.330 0.3 1 403 41 41 LYS CD C 29.079 0.3 1 404 41 41 LYS CE C 42.423 0.3 1 405 41 41 LYS N N 120.915 0.3 1 406 42 42 VAL H H 8.707 0.020 1 407 42 42 VAL HA H 3.832 0.020 1 408 42 42 VAL HB H 1.891 0.020 1 409 42 42 VAL HG1 H 0.892 0.020 1 410 42 42 VAL HG2 H 0.656 0.020 1 411 42 42 VAL C C 175.377 0.3 1 412 42 42 VAL CA C 64.874 0.3 1 413 42 42 VAL CB C 31.926 0.3 1 414 42 42 VAL CG1 C 22.520 0.3 1 415 42 42 VAL CG2 C 20.560 0.3 1 416 42 42 VAL N N 123.504 0.3 1 417 43 43 HIS H H 9.354 0.020 1 418 43 43 HIS HA H 4.525 0.020 1 419 43 43 HIS HB2 H 3.162 0.020 1 420 43 43 HIS HB3 H 3.162 0.020 1 421 43 43 HIS C C 175.104 0.3 1 422 43 43 HIS CA C 56.106 0.3 1 423 43 43 HIS CB C 31.721 0.3 1 424 43 43 HIS N N 132.195 0.3 1 425 45 45 LYS HA H 3.940 0.020 1 426 45 45 LYS HB2 H 1.517 0.020 1 427 45 45 LYS HB3 H 1.517 0.020 1 428 45 45 LYS HG2 H 1.318 0.020 1 429 45 45 LYS HG3 H 1.318 0.020 1 430 45 45 LYS HE2 H 2.951 0.020 1 431 45 45 LYS HE3 H 2.951 0.020 1 432 45 45 LYS C C 177.001 0.3 1 433 45 45 LYS CA C 58.367 0.3 1 434 45 45 LYS CB C 32.200 0.3 1 435 45 45 LYS CG C 28.610 0.3 1 436 45 45 LYS CD C 25.328 0.3 1 437 45 45 LYS CE C 42.249 0.3 1 438 46 46 SER H H 7.746 0.020 1 439 46 46 SER HA H 4.414 0.020 1 440 46 46 SER HB2 H 3.553 0.020 2 441 46 46 SER HB3 H 3.551 0.020 2 442 46 46 SER C C 174.926 0.3 1 443 46 46 SER CA C 60.011 0.3 1 444 46 46 SER CB C 65.354 0.3 1 445 46 46 SER N N 111.577 0.3 1 446 47 47 GLY H H 8.692 0.020 1 447 47 47 GLY HA2 H 4.366 0.020 2 448 47 47 GLY HA3 H 3.457 0.020 2 449 47 47 GLY C C 173.180 0.3 1 450 47 47 GLY CA C 45.215 0.3 1 451 47 47 GLY N N 112.402 0.3 1 452 48 48 ALA H H 7.740 0.020 1 453 48 48 ALA HA H 4.416 0.020 1 454 48 48 ALA HB H 1.163 0.020 1 455 48 48 ALA C C 175.621 0.3 1 456 48 48 ALA CA C 51.585 0.3 1 457 48 48 ALA CB C 19.802 0.3 1 458 48 48 ALA N N 120.322 0.3 1 459 49 49 GLU H H 8.262 0.020 1 460 49 49 GLU HA H 4.926 0.020 1 461 49 49 GLU HB2 H 1.633 0.020 2 462 49 49 GLU HB3 H 1.633 0.020 2 463 49 49 GLU HG2 H 1.897 0.020 1 464 49 49 GLU HG3 H 1.897 0.020 1 465 49 49 GLU C C 176.184 0.3 1 466 49 49 GLU CA C 55.558 0.3 1 467 49 49 GLU CB C 31.858 0.3 1 468 49 49 GLU CG C 36.845 0.3 1 469 49 49 GLU N N 116.907 0.3 1 470 50 50 VAL H H 9.223 0.020 1 471 50 50 VAL HA H 5.840 0.020 1 472 50 50 VAL HB H 1.924 0.020 1 473 50 50 VAL HG1 H 0.793 0.020 1 474 50 50 VAL HG2 H 0.793 0.020 1 475 50 50 VAL C C 176.053 0.3 1 476 50 50 VAL CA C 60.011 0.3 1 477 50 50 VAL CB C 38.091 0.3 1 478 50 50 VAL CG1 C 22.219 0.3 1 479 50 50 VAL CG2 C 20.860 0.3 1 480 50 50 VAL N N 117.403 0.3 1 481 51 51 VAL H H 9.266 0.020 1 482 51 51 VAL HA H 4.151 0.020 1 483 51 51 VAL HB H 1.330 0.020 1 484 51 51 VAL HG1 H 0.389 0.020 1 485 51 51 VAL HG2 H 0.070 0.020 1 486 51 51 VAL C C 173.706 0.3 1 487 51 51 VAL CA C 61.449 0.3 1 488 51 51 VAL CB C 35.899 0.3 1 489 51 51 VAL CG1 C 21.946 0.3 1 490 51 51 VAL CG2 C 21.346 0.3 1 491 51 51 VAL N N 125.278 0.3 1 492 52 52 THR H H 8.243 0.020 1 493 52 52 THR HA H 5.168 0.020 1 494 52 52 THR HB H 4.218 0.020 1 495 52 52 THR HG2 H 1.102 0.020 1 496 52 52 THR C C 173.669 0.3 1 497 52 52 THR CA C 58.709 0.3 1 498 52 52 THR CB C 70.628 0.3 1 499 52 52 THR CG2 C 21.465 0.3 1 500 52 52 THR N N 115.674 0.3 1 501 53 53 GLY H H 7.908 0.020 1 502 53 53 GLY HA2 H 3.981 0.020 2 503 53 53 GLY HA3 H 3.978 0.020 2 504 53 53 GLY C C 170.721 0.3 1 505 53 53 GLY CA C 45.489 0.3 1 506 53 53 GLY N N 108.122 0.3 1 507 54 54 ARG H H 8.379 0.020 1 508 54 54 ARG HA H 5.105 0.020 1 509 54 54 ARG HB2 H 1.568 0.020 1 510 54 54 ARG HB3 H 1.568 0.020 1 511 54 54 ARG HG2 H 1.353 0.020 2 512 54 54 ARG HG3 H 1.351 0.020 2 513 54 54 ARG HD2 H 2.990 0.020 1 514 54 54 ARG HD3 H 2.990 0.020 1 515 54 54 ARG C C 175.095 0.3 1 516 54 54 ARG CA C 55.010 0.3 1 517 54 54 ARG CB C 32.474 0.3 1 518 54 54 ARG CG C 27.647 0.3 1 519 54 54 ARG CD C 43.102 0.3 1 520 54 54 ARG N N 120.750 0.3 1 521 55 55 LEU H H 8.777 0.020 1 522 55 55 LEU HA H 4.427 0.020 1 523 55 55 LEU HB2 H 1.792 0.020 1 524 55 55 LEU HB3 H 1.792 0.020 1 525 55 55 LEU HG H 1.381 0.020 1 526 55 55 LEU HD1 H 0.828 0.020 1 527 55 55 LEU HD2 H 0.828 0.020 1 528 55 55 LEU C C 175.058 0.3 1 529 55 55 LEU CA C 53.572 0.3 1 530 55 55 LEU CB C 45.968 0.3 1 531 55 55 LEU CG C 24.933 0.3 1 532 55 55 LEU CD1 C 21.842 0.3 1 533 55 55 LEU CD2 C 19.580 0.3 1 534 55 55 LEU N N 123.787 0.3 1 535 56 56 ALA H H 9.275 0.020 1 536 56 56 ALA HA H 3.930 0.020 1 537 56 56 ALA HB H 1.379 0.020 1 538 56 56 ALA C C 177.855 0.3 1 539 56 56 ALA CA C 53.092 0.3 1 540 56 56 ALA CB C 17.610 0.3 1 541 56 56 ALA N N 127.548 0.3 1 542 57 57 GLY H H 8.507 0.020 1 543 57 57 GLY HA2 H 4.112 0.020 2 544 57 57 GLY HA3 H 3.540 0.020 2 545 57 57 GLY C C 174.157 0.3 1 546 57 57 GLY CA C 45.694 0.3 1 547 57 57 GLY N N 103.215 0.3 1 548 58 58 THR H H 8.017 0.020 1 549 58 58 THR HA H 4.411 0.020 1 550 58 58 THR HB H 3.904 0.020 1 551 58 58 THR HG2 H 1.146 0.020 1 552 58 58 THR C C 172.711 0.3 1 553 58 58 THR CA C 62.134 0.3 1 554 58 58 THR CB C 71.313 0.3 1 555 58 58 THR CG2 C 21.540 0.3 1 556 58 58 THR N N 119.802 0.3 1 557 59 59 SER H H 9.013 0.020 1 558 59 59 SER HA H 4.492 0.020 1 559 59 59 SER HB2 H 3.766 0.020 1 560 59 59 SER HB3 H 3.766 0.020 1 561 59 59 SER C C 173.537 0.3 1 562 59 59 SER CA C 59.600 0.3 1 563 59 59 SER CB C 63.367 0.3 1 564 59 59 SER N N 122.901 0.3 1 565 60 60 VAL H H 8.836 0.020 1 566 60 60 VAL HA H 5.060 0.020 1 567 60 60 VAL HB H 1.841 0.020 1 568 60 60 VAL HG1 H 0.825 0.020 1 569 60 60 VAL HG2 H 0.639 0.020 1 570 60 60 VAL C C 174.926 0.3 1 571 60 60 VAL CA C 59.326 0.3 1 572 60 60 VAL CB C 36.378 0.3 1 573 60 60 VAL CG1 C 21.616 0.3 1 574 60 60 VAL CG2 C 19.806 0.3 1 575 60 60 VAL N N 119.354 0.3 1 576 61 61 VAL H H 8.507 0.020 1 577 61 61 VAL HA H 4.165 0.020 1 578 61 61 VAL HB H 1.656 0.020 1 579 61 61 VAL HG1 H 0.342 0.020 1 580 61 61 VAL HG2 H 0.084 0.020 1 581 61 61 VAL C C 173.218 0.3 1 582 61 61 VAL CA C 61.929 0.3 1 583 61 61 VAL CB C 32.474 0.3 1 584 61 61 VAL CG1 C 20.636 0.3 1 585 61 61 VAL CG2 C 18.449 0.3 1 586 61 61 VAL N N 124.480 0.3 1 587 62 62 LEU H H 9.202 0.020 1 588 62 62 LEU HA H 5.472 0.020 1 589 62 62 LEU HB2 H 1.705 0.020 2 590 62 62 LEU HB3 H 1.705 0.020 2 591 62 62 LEU HG H 1.345 0.020 1 592 62 62 LEU HD1 H 0.801 0.020 1 593 62 62 LEU HD2 H 0.801 0.020 1 594 62 62 LEU C C 175.095 0.3 1 595 62 62 LEU CA C 52.750 0.3 1 596 62 62 LEU CB C 44.872 0.3 1 597 62 62 LEU CG C 26.742 0.3 1 598 62 62 LEU CD1 C 24.254 0.3 1 599 62 62 LEU N N 129.499 0.3 1 600 63 63 ALA H H 9.567 0.020 1 601 63 63 ALA HA H 5.872 0.020 1 602 63 63 ALA HB H 1.112 0.020 1 603 63 63 ALA C C 175.583 0.3 1 604 63 63 ALA CA C 50.284 0.3 1 605 63 63 ALA CB C 25.556 0.3 1 606 63 63 ALA N N 126.661 0.3 1 607 64 64 LYS H H 8.422 0.020 1 608 64 64 LYS HA H 5.000 0.020 1 609 64 64 LYS HB2 H 1.892 0.020 1 610 64 64 LYS HB3 H 1.892 0.020 1 611 64 64 LYS HG2 H 1.411 0.020 1 612 64 64 LYS HG3 H 1.411 0.020 1 613 64 64 LYS HD2 H 1.644 0.020 1 614 64 64 LYS HD3 H 1.644 0.020 1 615 64 64 LYS HE2 H 2.759 0.020 1 616 64 64 LYS HE3 H 2.759 0.020 1 617 64 64 LYS C C 174.057 0.3 1 618 64 64 LYS CA C 53.298 0.3 1 619 64 64 LYS CB C 34.734 0.3 1 620 64 64 LYS N N 117.967 0.3 1 621 65 65 PRO HA H 4.534 0.020 1 622 65 65 PRO HB2 H 2.394 0.020 1 623 65 65 PRO HB3 H 2.394 0.020 1 624 65 65 PRO HG2 H 2.096 0.020 1 625 65 65 PRO HG3 H 2.096 0.020 1 626 65 65 PRO HD2 H 3.682 0.020 1 627 65 65 PRO HD3 H 3.682 0.020 1 628 65 65 PRO C C 174.946 0.3 1 629 65 65 PRO CA C 62.682 0.3 1 630 65 65 PRO CB C 32.748 0.3 1 631 65 65 PRO CG C 28.610 0.3 1 632 65 65 PRO CD C 51.475 0.3 1 633 66 66 ARG H H 9.377 0.020 1 634 66 66 ARG HA H 4.517 0.020 1 635 66 66 ARG HB2 H 2.083 0.020 1 636 66 66 ARG HB3 H 2.083 0.020 1 637 66 66 ARG HG2 H 1.649 0.020 2 638 66 66 ARG HG3 H 1.649 0.020 2 639 66 66 ARG HD2 H 3.158 0.020 1 640 66 66 ARG HD3 H 3.158 0.020 1 641 66 66 ARG C C 175.264 0.3 1 642 66 66 ARG CA C 54.942 0.3 1 643 66 66 ARG CB C 31.241 0.3 1 644 66 66 ARG CG C 28.401 0.3 1 645 66 66 ARG CD C 43.780 0.3 1 646 66 66 ARG N N 121.057 0.3 1 647 67 67 CYS H H 7.303 0.020 1 648 67 67 CYS HA H 4.706 0.020 1 649 67 67 CYS HB2 H 3.518 0.020 2 650 67 67 CYS HB3 H 2.726 0.020 2 651 67 67 CYS C C 172.092 0.3 1 652 67 67 CYS CA C 54.325 0.3 1 653 67 67 CYS CB C 30.899 0.3 1 654 67 67 CYS N N 115.093 0.3 1 655 68 68 TYR H H 8.201 0.020 1 656 68 68 TYR HA H 4.420 0.020 1 657 68 68 TYR HB2 H 3.267 0.020 2 658 68 68 TYR HB3 H 2.835 0.020 2 659 68 68 TYR HD1 H 6.610 0.020 1 660 68 68 TYR HD2 H 6.610 0.020 1 661 68 68 TYR C C 178.080 0.3 1 662 68 68 TYR CA C 59.874 0.3 1 663 68 68 TYR CB C 38.365 0.3 1 664 68 68 TYR CD1 C 132.986 0.3 1 665 68 68 TYR CD2 C 132.986 0.3 1 666 68 68 TYR N N 115.888 0.3 1 667 69 69 MET H H 8.367 0.020 1 668 69 69 MET HA H 4.137 0.020 1 669 69 69 MET HB2 H 1.985 0.020 1 670 69 69 MET HB3 H 1.985 0.020 1 671 69 69 MET HG2 H 2.372 0.020 1 672 69 69 MET HG3 H 2.372 0.020 1 673 69 69 MET C C 175.076 0.3 1 674 69 69 MET CA C 58.641 0.3 1 675 69 69 MET CB C 33.090 0.3 1 676 69 69 MET N N 119.802 0.3 1 677 70 70 ASN HA H 4.295 0.020 1 678 70 70 ASN HB2 H 2.911 0.020 1 679 70 70 ASN HB3 H 2.911 0.020 1 680 70 70 ASN C C 175.274 0.3 1 681 70 70 ASN CA C 55.284 0.3 1 682 70 70 ASN CB C 37.474 0.3 1 683 71 71 GLU H H 8.007 0.020 1 684 71 71 GLU HA H 4.754 0.020 1 685 71 71 GLU HB2 H 2.042 0.020 1 686 71 71 GLU HB3 H 2.042 0.020 1 687 71 71 GLU HG2 H 2.264 0.020 1 688 71 71 GLU HG3 H 2.264 0.020 1 689 71 71 GLU C C 176.823 0.3 1 690 71 71 GLU CA C 55.421 0.3 1 691 71 71 GLU CB C 31.036 0.3 1 692 71 71 GLU CG C 36.468 0.3 1 693 71 71 GLU N N 117.111 0.3 1 694 72 72 SER H H 7.703 0.020 1 695 72 72 SER HA H 4.726 0.020 1 696 72 72 SER HB2 H 3.624 0.020 2 697 72 72 SER HB3 H 3.624 0.020 2 698 72 72 SER C C 177.029 0.3 1 699 72 72 SER CA C 63.778 0.3 1 700 72 72 SER CB C 63.890 0.3 1 701 72 72 SER N N 115.827 0.3 1 702 73 73 GLY H H 9.527 0.020 1 703 73 73 GLY HA2 H 3.901 0.020 2 704 73 73 GLY HA3 H 3.328 0.020 2 705 73 73 GLY C C 173.988 0.3 1 706 73 73 GLY CA C 48.434 0.3 1 707 73 73 GLY N N 109.887 0.3 1 708 74 74 ARG H H 8.207 0.020 1 709 74 74 ARG HA H 4.179 0.020 1 710 74 74 ARG HB2 H 2.092 0.020 1 711 74 74 ARG HB3 H 2.092 0.020 1 712 74 74 ARG HG2 H 1.796 0.020 1 713 74 74 ARG HG3 H 1.796 0.020 1 714 74 74 ARG HD2 H 3.267 0.020 1 715 74 74 ARG HD3 H 3.267 0.020 1 716 74 74 ARG C C 176.973 0.3 1 717 74 74 ARG CA C 58.024 0.3 1 718 74 74 ARG CB C 29.666 0.3 1 719 74 74 ARG CG C 27.496 0.3 1 720 74 74 ARG CD C 43.554 0.3 1 721 74 74 ARG N N 119.068 0.3 1 722 75 75 GLN H H 7.260 0.020 1 723 75 75 GLN HA H 4.623 0.020 1 724 75 75 GLN HB2 H 2.106 0.020 1 725 75 75 GLN HB3 H 2.106 0.020 1 726 75 75 GLN HG2 H 2.344 0.020 1 727 75 75 GLN HG3 H 2.344 0.020 1 728 75 75 GLN C C 175.840 0.3 1 729 75 75 GLN CA C 57.613 0.3 1 730 75 75 GLN CB C 29.597 0.3 1 731 75 75 GLN N N 113.474 0.3 1 732 76 76 VAL HA H 3.430 0.020 1 733 76 76 VAL HB H 1.690 0.020 1 734 76 76 VAL HG1 H 0.781 0.020 1 735 76 76 VAL HG2 H 0.781 0.020 1 736 76 76 VAL C C 176.463 0.3 1 737 76 76 VAL CA C 66.998 0.3 1 738 76 76 VAL CB C 32.474 0.3 1 739 76 76 VAL CG1 C 23.630 0.3 1 740 76 76 VAL CG2 C 21.026 0.3 1 741 77 77 GLY H H 8.541 0.020 1 742 77 77 GLY HA2 H 3.632 0.020 2 743 77 77 GLY HA3 H 3.256 0.020 2 744 77 77 GLY C C 175.472 0.3 1 745 77 77 GLY CA C 48.229 0.3 1 746 77 77 GLY N N 104.918 0.3 1 747 78 78 PRO HA H 4.217 0.020 1 748 78 78 PRO HB2 H 2.017 0.020 1 749 78 78 PRO HB3 H 2.017 0.020 1 750 78 78 PRO HG2 H 1.620 0.020 1 751 78 78 PRO HG3 H 1.620 0.020 1 752 78 78 PRO HD2 H 3.504 0.020 1 753 78 78 PRO HD3 H 3.504 0.020 1 754 78 78 PRO C C 179.208 0.3 1 755 78 78 PRO CA C 65.148 0.3 1 756 78 78 PRO CB C 32.268 0.3 1 757 78 78 PRO CG C 28.024 0.3 1 758 78 78 PRO CD C 51.588 0.3 1 759 79 79 LEU H H 7.466 0.020 1 760 79 79 LEU HA H 3.954 0.020 1 761 79 79 LEU HB2 H 1.831 0.020 2 762 79 79 LEU HB3 H 1.602 0.020 2 763 79 79 LEU HG H 1.437 0.020 1 764 79 79 LEU HD1 H 0.496 0.020 1 765 79 79 LEU HD2 H 0.496 0.020 1 766 79 79 LEU C C 177.367 0.3 1 767 79 79 LEU CA C 58.504 0.3 1 768 79 79 LEU CB C 42.886 0.3 1 769 79 79 LEU CG C 26.139 0.3 1 770 79 79 LEU CD1 C 24.179 0.3 1 771 79 79 LEU CD2 C 24.179 0.3 1 772 79 79 LEU N N 119.649 0.3 1 773 80 80 ALA H H 8.279 0.020 1 774 80 80 ALA HA H 3.888 0.020 1 775 80 80 ALA HB H 1.423 0.020 1 776 80 80 ALA C C 179.939 0.3 1 777 80 80 ALA CA C 55.490 0.3 1 778 80 80 ALA CB C 17.610 0.3 1 779 80 80 ALA N N 120.470 0.3 1 780 81 81 LYS H H 7.798 0.020 1 781 81 81 LYS HA H 4.094 0.020 1 782 81 81 LYS HB2 H 1.841 0.020 1 783 81 81 LYS HB3 H 1.841 0.020 1 784 81 81 LYS HG2 H 1.456 0.020 1 785 81 81 LYS HG3 H 1.456 0.020 1 786 81 81 LYS HD2 H 1.611 0.020 2 787 81 81 LYS HD3 H 1.611 0.020 2 788 81 81 LYS HE2 H 3.151 0.020 2 789 81 81 LYS HE3 H 3.151 0.020 2 790 81 81 LYS C C 179.920 0.3 1 791 81 81 LYS CA C 58.915 0.3 1 792 81 81 LYS CB C 32.337 0.3 1 793 81 81 LYS CG C 24.782 0.3 1 794 81 81 LYS CD C 28.929 0.3 1 795 81 81 LYS CE C 41.745 0.3 1 796 81 81 LYS N N 116.408 0.3 1 797 82 82 PHE H H 8.489 0.020 1 798 82 82 PHE HA H 4.035 0.020 1 799 82 82 PHE HB2 H 3.108 0.020 1 800 82 82 PHE HB3 H 3.108 0.020 1 801 82 82 PHE HD1 H 6.901 0.020 1 802 82 82 PHE HD2 H 6.901 0.020 1 803 82 82 PHE C C 177.254 0.3 1 804 82 82 PHE CA C 61.449 0.3 1 805 82 82 PHE CB C 38.913 0.3 1 806 82 82 PHE CD1 C 130.870 0.3 1 807 82 82 PHE CD2 C 130.870 0.3 1 808 82 82 PHE N N 121.199 0.3 1 809 83 83 TYR H H 7.634 0.020 1 810 83 83 TYR HA H 4.404 0.020 1 811 83 83 TYR HB2 H 3.280 0.020 2 812 83 83 TYR HB3 H 2.479 0.020 2 813 83 83 TYR HD1 H 7.211 0.020 1 814 83 83 TYR HD2 H 7.211 0.020 1 815 83 83 TYR C C 173.368 0.3 1 816 83 83 TYR CA C 59.600 0.3 1 817 83 83 TYR CB C 39.050 0.3 1 818 83 83 TYR CD1 C 130.175 0.3 1 819 83 83 TYR CD2 C 130.175 0.3 1 820 83 83 TYR N N 114.176 0.3 1 821 84 84 SER H H 7.674 0.020 1 822 84 84 SER HA H 4.020 0.020 1 823 84 84 SER HB2 H 3.952 0.020 1 824 84 84 SER HB3 H 3.952 0.020 1 825 84 84 SER C C 173.518 0.3 1 826 84 84 SER CA C 58.367 0.3 1 827 84 84 SER CB C 61.244 0.3 1 828 84 84 SER N N 114.910 0.3 1 829 85 85 VAL H H 8.456 0.020 1 830 85 85 VAL HA H 3.957 0.020 1 831 85 85 VAL HB H 1.871 0.020 1 832 85 85 VAL HG1 H 0.784 0.020 1 833 85 85 VAL HG2 H 0.784 0.020 1 834 85 85 VAL C C 174.171 0.3 1 835 85 85 VAL CA C 59.326 0.3 1 836 85 85 VAL CB C 33.296 0.3 1 837 85 85 VAL N N 120.291 0.3 1 838 89 89 GLN HA H 4.356 0.020 1 839 89 89 GLN HB2 H 1.936 0.020 1 840 89 89 GLN HB3 H 1.936 0.020 1 841 89 89 GLN HG2 H 2.831 0.020 1 842 89 89 GLN HG3 H 2.831 0.020 1 843 89 89 GLN C C 179.299 0.3 1 844 89 89 GLN CA C 55.832 0.3 1 845 89 89 GLN CB C 29.255 0.3 1 846 89 89 GLN CG C 39.024 0.3 1 847 90 90 ILE H H 7.728 0.020 1 848 90 90 ILE HA H 4.062 0.020 1 849 90 90 ILE HB H 2.148 0.020 1 850 90 90 ILE HG12 H 0.973 0.020 1 851 90 90 ILE HG13 H 0.973 0.020 1 852 90 90 ILE HG2 H 0.630 0.020 1 853 90 90 ILE HD1 H 0.630 0.020 1 854 90 90 ILE C C 175.020 0.3 1 855 90 90 ILE CA C 60.627 0.3 1 856 90 90 ILE CB C 38.365 0.3 1 857 90 90 ILE CG1 C 27.571 0.3 1 858 90 90 ILE CG2 C 21.389 0.3 1 859 90 90 ILE CD1 C 15.660 0.3 1 860 90 90 ILE N N 119.343 0.3 1 861 91 91 VAL H H 9.358 0.020 1 862 91 91 VAL HA H 4.454 0.020 1 863 91 91 VAL HB H 1.990 0.020 1 864 91 91 VAL HG1 H 0.667 0.020 1 865 91 91 VAL HG2 H 0.667 0.020 1 866 91 91 VAL C C 174.119 0.3 1 867 91 91 VAL CA C 60.490 0.3 1 868 91 91 VAL CB C 34.597 0.3 1 869 91 91 VAL CG1 C 21.767 0.3 1 870 91 91 VAL CG2 C 19.731 0.3 1 871 91 91 VAL N N 127.979 0.3 1 872 92 92 VAL H H 9.268 0.020 1 873 92 92 VAL HA H 4.155 0.020 1 874 92 92 VAL HB H 2.135 0.020 1 875 92 92 VAL HG1 H 0.758 0.020 1 876 92 92 VAL HG2 H 0.758 0.020 1 877 92 92 VAL C C 174.326 0.3 1 878 92 92 VAL CA C 61.107 0.3 1 879 92 92 VAL CB C 33.570 0.3 1 880 92 92 VAL CG1 C 22.747 0.3 1 881 92 92 VAL CG2 C 20.636 0.3 1 882 92 92 VAL N N 127.153 0.3 1 883 93 93 ILE H H 9.198 0.020 1 884 93 93 ILE HA H 5.000 0.020 1 885 93 93 ILE HB H 1.884 0.020 1 886 93 93 ILE HG12 H 1.567 0.020 1 887 93 93 ILE HG13 H 1.567 0.020 1 888 93 93 ILE HG2 H 0.895 0.020 1 889 93 93 ILE HD1 H 0.646 0.020 1 890 93 93 ILE C C 174.945 0.3 1 891 93 93 ILE CA C 60.970 0.3 1 892 93 93 ILE CB C 39.461 0.3 1 893 93 93 ILE CG1 C 26.591 0.3 1 894 93 93 ILE CG2 C 19.354 0.3 1 895 93 93 ILE CD1 C 14.906 0.3 1 896 93 93 ILE N N 128.894 0.3 1 897 94 94 HIS H H 8.762 0.020 1 898 94 94 HIS HA H 5.424 0.020 1 899 94 94 HIS HB2 H 2.656 0.020 1 900 94 94 HIS HB3 H 2.656 0.020 1 901 94 94 HIS C C 171.510 0.3 1 902 94 94 HIS CA C 54.188 0.3 1 903 94 94 HIS CB C 32.748 0.3 1 904 94 94 HIS N N 121.624 0.3 1 905 95 95 ASP H H 10.045 0.020 1 906 95 95 ASP HA H 5.104 0.020 1 907 95 95 ASP HB2 H 3.201 0.020 1 908 95 95 ASP HB3 H 3.201 0.020 1 909 95 95 ASP C C 177.555 0.3 1 910 95 95 ASP CA C 52.818 0.3 1 911 95 95 ASP CB C 42.064 0.3 1 912 95 95 ASP N N 115.353 0.3 1 913 96 96 GLU H H 9.100 0.020 1 914 96 96 GLU HA H 5.234 0.020 1 915 96 96 GLU HB2 H 1.656 0.020 1 916 96 96 GLU HB3 H 1.656 0.020 1 917 96 96 GLU HG2 H 2.215 0.020 1 918 96 96 GLU HG3 H 2.215 0.020 1 919 96 96 GLU C C 175.245 0.3 1 920 96 96 GLU CA C 54.599 0.3 1 921 96 96 GLU CB C 34.255 0.3 1 922 96 96 GLU CG C 37.297 0.3 1 923 96 96 GLU N N 125.562 0.3 1 924 97 97 LEU H H 8.774 0.020 1 925 97 97 LEU HA H 4.508 0.020 1 926 97 97 LEU HB2 H 1.811 0.020 2 927 97 97 LEU HB3 H 1.811 0.020 2 928 97 97 LEU HG H 1.515 0.020 1 929 97 97 LEU HD1 H 1.138 0.020 1 930 97 97 LEU HD2 H 1.138 0.020 1 931 97 97 LEU C C 177.911 0.3 1 932 97 97 LEU CA C 56.928 0.3 1 933 97 97 LEU CB C 43.639 0.3 1 934 97 97 LEU CG C 26.742 0.3 1 935 97 97 LEU CD1 C 24.631 0.3 1 936 97 97 LEU CD2 C 24.631 0.3 1 937 97 97 LEU N N 130.882 0.3 1 938 98 98 ASP H H 8.729 0.020 1 939 98 98 ASP HA H 4.465 0.020 1 940 98 98 ASP HB2 H 2.779 0.020 2 941 98 98 ASP HB3 H 2.567 0.020 2 942 98 98 ASP C C 175.339 0.3 1 943 98 98 ASP CA C 55.969 0.3 1 944 98 98 ASP CB C 40.625 0.3 1 945 98 98 ASP N N 114.282 0.3 1 946 99 99 ILE H H 7.149 0.020 1 947 99 99 ILE HA H 3.886 0.020 1 948 99 99 ILE HB H 1.492 0.020 1 949 99 99 ILE HG12 H 1.267 0.020 1 950 99 99 ILE HG13 H 1.267 0.020 1 951 99 99 ILE HG2 H 0.819 0.020 1 952 99 99 ILE HD1 H 0.491 0.020 1 953 99 99 ILE C C 174.044 0.3 1 954 99 99 ILE CA C 59.394 0.3 1 955 99 99 ILE CB C 40.968 0.3 1 956 99 99 ILE CG1 C 26.667 0.3 1 957 99 99 ILE CG2 C 17.469 0.3 1 958 99 99 ILE CD1 C 13.926 0.3 1 959 99 99 ILE N N 116.163 0.3 1 960 100 100 ASP H H 8.109 0.020 1 961 100 100 ASP HA H 4.301 0.020 1 962 100 100 ASP HB2 H 2.752 0.020 2 963 100 100 ASP HB3 H 2.361 0.020 2 964 100 100 ASP C C 175.321 0.3 1 965 100 100 ASP CA C 55.216 0.3 1 966 100 100 ASP CB C 41.584 0.3 1 967 100 100 ASP N N 122.370 0.3 1 968 101 101 PHE H H 8.598 0.020 1 969 101 101 PHE HA H 4.033 0.020 1 970 101 101 PHE HB2 H 2.927 0.020 2 971 101 101 PHE HB3 H 2.927 0.020 2 972 101 101 PHE HD1 H 7.328 0.020 1 973 101 101 PHE HD2 H 7.328 0.020 1 974 101 101 PHE C C 176.654 0.3 1 975 101 101 PHE CA C 59.463 0.3 1 976 101 101 PHE CB C 39.324 0.3 1 977 101 101 PHE CD1 C 128.899 0.3 1 978 101 101 PHE CD2 C 128.899 0.3 1 979 101 101 PHE N N 119.674 0.3 1 980 102 102 GLY H H 8.550 0.020 1 981 102 102 GLY HA2 H 3.932 0.020 2 982 102 102 GLY HA3 H 2.862 0.020 2 983 102 102 GLY C C 172.749 0.3 1 984 102 102 GLY CA C 45.215 0.3 1 985 102 102 GLY N N 116.800 0.3 1 986 103 103 ARG H H 7.730 0.020 1 987 103 103 ARG HA H 4.538 0.020 1 988 103 103 ARG HB2 H 1.963 0.020 1 989 103 103 ARG HB3 H 1.963 0.020 1 990 103 103 ARG HG2 H 1.577 0.020 2 991 103 103 ARG HG3 H 1.577 0.020 2 992 103 103 ARG HD2 H 3.162 0.020 2 993 103 103 ARG HD3 H 3.162 0.020 2 994 103 103 ARG C C 175.114 0.3 1 995 103 103 ARG CA C 54.736 0.3 1 996 103 103 ARG CB C 31.310 0.3 1 997 103 103 ARG CG C 26.742 0.3 1 998 103 103 ARG CD C 43.102 0.3 1 999 103 103 ARG N N 118.304 0.3 1 1000 104 104 ILE H H 8.687 0.020 1 1001 104 104 ILE HA H 4.971 0.020 1 1002 104 104 ILE HB H 1.594 0.020 1 1003 104 104 ILE HG12 H 0.933 0.020 2 1004 104 104 ILE HG13 H 0.933 0.020 2 1005 104 104 ILE HG2 H 0.610 0.020 1 1006 104 104 ILE HD1 H 0.610 0.020 1 1007 104 104 ILE C C 175.884 0.3 1 1008 104 104 ILE CA C 59.805 0.3 1 1009 104 104 ILE CB C 40.968 0.3 1 1010 104 104 ILE CG1 C 28.552 0.3 1 1011 104 104 ILE CG2 C 18.072 0.3 1 1012 104 104 ILE CD1 C 14.378 0.3 1 1013 104 104 ILE N N 122.440 0.3 1 1014 105 105 ARG H H 9.025 0.020 1 1015 105 105 ARG HA H 4.902 0.020 1 1016 105 105 ARG HB2 H 1.752 0.020 1 1017 105 105 ARG HB3 H 1.752 0.020 1 1018 105 105 ARG HG2 H 1.379 0.020 1 1019 105 105 ARG HG3 H 1.379 0.020 1 1020 105 105 ARG HD2 H 3.231 0.020 2 1021 105 105 ARG HD3 H 3.231 0.020 2 1022 105 105 ARG C C 174.157 0.3 1 1023 105 105 ARG CA C 51.914 0.3 1 1024 105 105 ARG CB C 34.597 0.3 1 1025 105 105 ARG CG C 27.647 0.3 1 1026 105 105 ARG CD C 39.709 0.3 1 1027 105 105 ARG N N 124.391 0.3 1 1028 106 106 LEU H H 11.263 0.020 1 1029 106 106 LEU HA H 5.531 0.020 1 1030 106 106 LEU HB2 H 2.428 0.020 2 1031 106 106 LEU HB3 H 1.740 0.020 2 1032 106 106 LEU HG H 1.326 0.020 1 1033 106 106 LEU HD1 H 0.735 0.020 1 1034 106 106 LEU HD2 H 0.683 0.020 1 1035 106 106 LEU C C 178.303 0.3 1 1036 106 106 LEU CA C 53.161 0.3 1 1037 106 106 LEU CB C 45.420 0.3 1 1038 106 106 LEU N N 123.612 0.3 1 1039 107 107 LYS HA H 4.076 0.020 1 1040 107 107 LYS HB2 H 1.747 0.020 1 1041 107 107 LYS HB3 H 1.747 0.020 1 1042 107 107 LYS HD2 H 1.547 0.020 1 1043 107 107 LYS HD3 H 1.547 0.020 1 1044 107 107 LYS HE2 H 3.004 0.020 1 1045 107 107 LYS HE3 H 3.004 0.020 1 1046 107 107 LYS C C 175.241 0.3 1 1047 107 107 LYS CA C 56.419 0.3 1 1048 107 107 LYS CB C 38.913 0.3 1 1049 107 107 LYS CG C 24.875 0.3 1 1050 107 107 LYS CD C 32.459 0.3 1 1051 108 108 LEU H H 8.488 0.020 1 1052 108 108 LEU HA H 4.663 0.020 1 1053 108 108 LEU HB2 H 1.723 0.020 1 1054 108 108 LEU HB3 H 1.723 0.020 1 1055 108 108 LEU HG H 1.511 0.020 1 1056 108 108 LEU HD1 H 0.976 0.020 1 1057 108 108 LEU HD2 H 0.976 0.020 1 1058 108 108 LEU C C 176.152 0.3 1 1059 108 108 LEU CA C 54.325 0.3 1 1060 108 108 LEU CB C 42.374 0.3 1 1061 108 108 LEU CG C 26.971 0.3 1 1062 108 108 LEU CD1 C 25.235 0.3 1 1063 108 108 LEU CD2 C 25.235 0.3 1 1064 108 108 LEU N N 125.733 0.3 1 1065 109 109 GLY H H 7.427 0.020 1 1066 109 109 GLY HA2 H 4.291 0.020 2 1067 109 109 GLY HA3 H 3.901 0.020 2 1068 109 109 GLY C C 171.829 0.3 1 1069 109 109 GLY CA C 44.461 0.3 1 1070 109 109 GLY N N 113.088 0.3 1 1071 110 110 GLY H H 7.685 0.020 1 1072 110 110 GLY HA2 H 4.102 0.020 2 1073 110 110 GLY HA3 H 3.627 0.020 2 1074 110 110 GLY C C 174.538 0.3 1 1075 110 110 GLY CA C 44.050 0.3 1 1076 110 110 GLY N N 102.747 0.3 1 1077 111 111 GLY H H 8.252 0.020 1 1078 111 111 GLY HA2 H 3.693 0.020 1 1079 111 111 GLY HA3 H 3.693 0.020 1 1080 111 111 GLY C C 172.020 0.3 1 1081 111 111 GLY CA C 43.845 0.3 1 1082 111 111 GLY N N 117.376 0.3 1 1083 112 112 GLU HA H 4.194 0.020 1 1084 112 112 GLU HB2 H 2.112 0.020 1 1085 112 112 GLU HB3 H 2.112 0.020 1 1086 112 112 GLU HG2 H 2.112 0.020 1 1087 112 112 GLU HG3 H 2.112 0.020 1 1088 112 112 GLU C C 177.997 0.3 1 1089 112 112 GLU CA C 57.202 0.3 1 1090 112 112 GLU CB C 29.489 0.3 1 1091 112 112 GLU CG C 36.760 0.3 1 1092 113 113 GLY H H 8.638 0.020 1 1093 113 113 GLY HA2 H 4.680 0.020 2 1094 113 113 GLY HA3 H 3.916 0.020 2 1095 113 113 GLY C C 175.583 0.3 1 1096 113 113 GLY CA C 46.996 0.3 1 1097 113 113 GLY N N 110.029 0.3 1 1098 114 114 GLY H H 8.579 0.020 1 1099 114 114 GLY HA2 H 3.996 0.020 2 1100 114 114 GLY HA3 H 3.851 0.020 2 1101 114 114 GLY C C 173.838 0.3 1 1102 114 114 GLY CA C 45.352 0.3 1 1103 114 114 GLY N N 107.830 0.3 1 1104 115 115 HIS H H 7.830 0.020 1 1105 115 115 HIS HA H 4.703 0.020 1 1106 115 115 HIS HB2 H 3.236 0.020 1 1107 115 115 HIS HB3 H 3.236 0.020 1 1108 115 115 HIS C C 176.520 0.3 1 1109 115 115 HIS CA C 57.956 0.3 1 1110 115 115 HIS CB C 32.405 0.3 1 1111 115 115 HIS N N 122.890 0.3 1 1112 116 116 ASN HA H 4.296 0.020 1 1113 116 116 ASN HB2 H 2.950 0.020 2 1114 116 116 ASN HB3 H 2.951 0.020 2 1115 116 116 ASN C C 178.246 0.3 1 1116 116 116 ASN CA C 56.380 0.3 1 1117 116 116 ASN CB C 36.721 0.3 1 1118 117 117 GLY H H 9.245 0.020 1 1119 117 117 GLY HA2 H 4.125 0.020 2 1120 117 117 GLY HA3 H 3.861 0.020 2 1121 117 117 GLY C C 175.114 0.3 1 1122 117 117 GLY CA C 47.407 0.3 1 1123 117 117 GLY N N 113.570 0.3 1 1124 118 118 LEU H H 8.133 0.020 1 1125 118 118 LEU HA H 3.836 0.020 1 1126 118 118 LEU HB2 H 1.868 0.020 2 1127 118 118 LEU HB3 H 1.868 0.020 2 1128 118 118 LEU HG H 1.342 0.020 1 1129 118 118 LEU HD1 H 0.788 0.020 1 1130 118 118 LEU HD2 H 0.788 0.020 1 1131 118 118 LEU C C 179.150 0.3 1 1132 118 118 LEU CA C 58.093 0.3 1 1133 118 118 LEU CB C 42.338 0.3 1 1134 118 118 LEU CG C 27.044 0.3 1 1135 118 118 LEU CD1 C 24.405 0.3 1 1136 118 118 LEU CD2 C 23.651 0.3 1 1137 118 118 LEU N N 123.746 0.3 1 1138 119 119 ARG H H 8.234 0.020 1 1139 119 119 ARG HA H 4.061 0.020 1 1140 119 119 ARG HB2 H 1.830 0.020 1 1141 119 119 ARG HB3 H 1.830 0.020 1 1142 119 119 ARG HG2 H 1.551 0.020 1 1143 119 119 ARG HG3 H 1.551 0.020 1 1144 119 119 ARG HD2 H 3.208 0.020 1 1145 119 119 ARG HD3 H 3.208 0.020 1 1146 119 119 ARG C C 178.400 0.3 1 1147 119 119 ARG CA C 59.737 0.3 1 1148 119 119 ARG CB C 30.488 0.3 1 1149 119 119 ARG CG C 27.345 0.3 1 1150 119 119 ARG CD C 43.479 0.3 1 1151 119 119 ARG N N 117.495 0.3 1 1152 120 120 SER H H 7.283 0.020 1 1153 120 120 SER HA H 4.218 0.020 1 1154 120 120 SER HB2 H 3.859 0.020 2 1155 120 120 SER HB3 H 3.859 0.020 2 1156 120 120 SER C C 178.568 0.3 1 1157 120 120 SER CA C 60.901 0.3 1 1158 120 120 SER CB C 63.367 0.3 1 1159 120 120 SER N N 112.769 0.3 1 1160 121 121 VAL H H 8.263 0.020 1 1161 121 121 VAL HA H 3.259 0.020 1 1162 121 121 VAL HB H 1.950 0.020 1 1163 121 121 VAL HG1 H 0.795 0.020 1 1164 121 121 VAL HG2 H 0.224 0.020 1 1165 121 121 VAL C C 176.485 0.3 1 1166 121 121 VAL CA C 68.094 0.3 1 1167 121 121 VAL CB C 31.584 0.3 1 1168 121 121 VAL CG1 C 23.425 0.3 1 1169 121 121 VAL CG2 C 21.540 0.3 1 1170 121 121 VAL N N 120.291 0.3 1 1171 122 122 ALA H H 8.708 0.020 1 1172 122 122 ALA HA H 4.485 0.020 1 1173 122 122 ALA HB H 1.524 0.020 1 1174 122 122 ALA C C 181.178 0.3 1 1175 122 122 ALA CA C 55.284 0.3 1 1176 122 122 ALA CB C 18.569 0.3 1 1177 122 122 ALA N N 120.702 0.3 1 1178 123 123 SER H H 8.137 0.020 1 1179 123 123 SER HA H 4.049 0.020 1 1180 123 123 SER HB2 H 3.257 0.020 2 1181 123 123 SER HB3 H 3.257 0.020 2 1182 123 123 SER C C 176.672 0.3 1 1183 123 123 SER CA C 61.312 0.3 1 1184 123 123 SER CB C 62.888 0.3 1 1185 123 123 SER N N 113.198 0.3 1 1186 124 124 ALA H H 7.692 0.020 1 1187 124 124 ALA HA H 4.136 0.020 1 1188 124 124 ALA HB H 1.359 0.020 1 1189 124 124 ALA C C 180.052 0.3 1 1190 124 124 ALA CA C 54.668 0.3 1 1191 124 124 ALA CB C 19.870 0.3 1 1192 124 124 ALA N N 122.798 0.3 1 1193 125 125 LEU H H 8.219 0.020 1 1194 125 125 LEU HA H 4.191 0.020 1 1195 125 125 LEU HB2 H 1.775 0.020 1 1196 125 125 LEU HB3 H 1.775 0.020 1 1197 125 125 LEU HG H 1.445 0.020 1 1198 125 125 LEU HD1 H 0.649 0.020 1 1199 125 125 LEU HD2 H 0.649 0.020 1 1200 125 125 LEU C C 178.024 0.3 1 1201 125 125 LEU CA C 55.490 0.3 1 1202 125 125 LEU CB C 42.954 0.3 1 1203 125 125 LEU CG C 26.818 0.3 1 1204 125 125 LEU CD1 C 21.691 0.3 1 1205 125 125 LEU CD2 C 19.731 0.3 1 1206 125 125 LEU N N 114.359 0.3 1 1207 126 126 GLY H H 7.910 0.020 1 1208 126 126 GLY HA2 H 4.059 0.020 2 1209 126 126 GLY HA3 H 3.795 0.020 2 1210 126 126 GLY C C 173.124 0.3 1 1211 126 126 GLY CA C 45.557 0.3 1 1212 126 126 GLY N N 106.746 0.3 1 1213 127 127 THR H H 7.611 0.020 1 1214 127 127 THR HA H 4.586 0.020 1 1215 127 127 THR HB H 3.795 0.020 1 1216 127 127 THR HG2 H 0.983 0.020 1 1217 127 127 THR C C 170.252 0.3 1 1218 127 127 THR CA C 59.463 0.3 1 1219 127 127 THR CB C 67.751 0.3 1 1220 127 127 THR CG2 C 19.429 0.3 1 1221 127 127 THR N N 112.372 0.3 1 1222 128 128 LYS H H 8.075 0.020 1 1223 128 128 LYS HA H 4.314 0.020 1 1224 128 128 LYS HB2 H 1.726 0.020 1 1225 128 128 LYS HB3 H 1.726 0.020 1 1226 128 128 LYS HG2 H 1.277 0.020 1 1227 128 128 LYS HG3 H 1.277 0.020 1 1228 128 128 LYS HD2 H 1.494 0.020 1 1229 128 128 LYS HD3 H 1.494 0.020 1 1230 128 128 LYS HE2 H 2.795 0.020 1 1231 128 128 LYS HE3 H 2.795 0.020 1 1232 128 128 LYS C C 178.400 0.3 1 1233 128 128 LYS CA C 56.038 0.3 1 1234 128 128 LYS CB C 32.748 0.3 1 1235 128 128 LYS CG C 25.536 0.3 1 1236 128 128 LYS CD C 28.853 0.3 1 1237 128 128 LYS CE C 41.896 0.3 1 1238 128 128 LYS N N 120.933 0.3 1 1239 129 129 ASN H H 8.736 0.020 1 1240 129 129 ASN HA H 4.304 0.020 1 1241 129 129 ASN HB2 H 2.782 0.020 2 1242 129 129 ASN HB3 H 2.500 0.020 2 1243 129 129 ASN C C 171.284 0.3 1 1244 129 129 ASN CA C 54.120 0.3 1 1245 129 129 ASN CB C 37.063 0.3 1 1246 129 129 ASN N N 124.675 0.3 1 1247 131 131 HIS HA H 5.091 0.020 1 1248 131 131 HIS HB2 H 3.498 0.020 2 1249 131 131 HIS HB3 H 3.319 0.020 2 1250 131 131 HIS C C 175.397 0.3 1 1251 131 131 HIS CA C 60.148 0.3 1 1252 131 131 HIS CB C 30.967 0.3 1 1253 132 132 ARG H H 9.525 0.020 1 1254 132 132 ARG HA H 5.949 0.020 1 1255 132 132 ARG HB2 H 1.594 0.020 2 1256 132 132 ARG HB3 H 1.594 0.020 2 1257 132 132 ARG HG2 H 1.382 0.020 1 1258 132 132 ARG HG3 H 1.382 0.020 1 1259 132 132 ARG HD2 H 2.985 0.020 1 1260 132 132 ARG HD3 H 2.985 0.020 1 1261 132 132 ARG C C 174.945 0.3 1 1262 132 132 ARG CA C 55.558 0.3 1 1263 132 132 ARG CB C 32.679 0.3 1 1264 132 132 ARG CG C 27.421 0.3 1 1265 132 132 ARG N N 119.440 0.3 1 1266 133 133 VAL H H 8.669 0.020 1 1267 133 133 VAL HA H 4.107 0.020 1 1268 133 133 VAL HB H 1.927 0.020 1 1269 133 133 VAL HG1 H 0.723 0.020 1 1270 133 133 VAL HG2 H 0.723 0.020 1 1271 133 133 VAL C C 172.805 0.3 1 1272 133 133 VAL CA C 62.477 0.3 1 1273 133 133 VAL CB C 32.405 0.3 1 1274 133 133 VAL CG1 C 19.354 0.3 1 1275 133 133 VAL CG2 C 18.525 0.3 1 1276 133 133 VAL N N 124.107 0.3 1 1277 134 134 ARG H H 8.822 0.020 1 1278 134 134 ARG HA H 3.624 0.020 1 1279 134 134 ARG HB2 H 1.761 0.020 1 1280 134 134 ARG HB3 H 1.761 0.020 1 1281 134 134 ARG HG2 H 1.469 0.020 2 1282 134 134 ARG HG3 H 1.469 0.020 2 1283 134 134 ARG HD2 H 3.257 0.020 2 1284 134 134 ARG HD3 H 3.255 0.020 2 1285 134 134 ARG C C 174.964 0.3 1 1286 134 134 ARG CA C 53.914 0.3 1 1287 134 134 ARG CB C 32.063 0.3 1 1288 134 134 ARG CG C 24.857 0.3 1 1289 134 134 ARG CD C 41.896 0.3 1 1290 134 134 ARG N N 123.782 0.3 1 1291 135 135 ILE H H 8.532 0.020 1 1292 135 135 ILE HA H 4.300 0.020 1 1293 135 135 ILE HB H 1.618 0.020 1 1294 135 135 ILE HG12 H 1.092 0.020 1 1295 135 135 ILE HG13 H 1.092 0.020 1 1296 135 135 ILE HG2 H 0.619 0.020 1 1297 135 135 ILE HD1 H 0.618 0.020 1 1298 135 135 ILE C C 175.809 0.3 1 1299 135 135 ILE CA C 60.627 0.3 1 1300 135 135 ILE CB C 38.433 0.3 1 1301 135 135 ILE CG1 C 26.818 0.3 1 1302 135 135 ILE CG2 C 19.580 0.3 1 1303 135 135 ILE CD1 C 17.349 0.3 1 1304 135 135 ILE N N 122.618 0.3 1 1305 136 136 GLY H H 9.240 0.020 1 1306 136 136 GLY HA2 H 4.471 0.020 2 1307 136 136 GLY HA3 H 3.729 0.020 2 1308 136 136 GLY C C 175.302 0.3 1 1309 136 136 GLY CA C 48.434 0.3 1 1310 136 136 GLY N N 116.268 0.3 1 1311 137 137 VAL H H 8.370 0.020 1 1312 137 137 VAL HA H 5.195 0.020 1 1313 137 137 VAL HB H 2.758 0.020 1 1314 137 137 VAL HG1 H 1.171 0.020 1 1315 137 137 VAL HG2 H 1.172 0.020 1 1316 137 137 VAL C C 176.691 0.3 1 1317 137 137 VAL CA C 60.216 0.3 1 1318 137 137 VAL CB C 33.844 0.3 1 1319 137 137 VAL CG1 C 24.104 0.3 1 1320 137 137 VAL CG2 C 18.204 0.3 1 1321 137 137 VAL N N 111.669 0.3 1 1322 138 138 GLY H H 8.524 0.020 1 1323 138 138 GLY HA2 H 4.366 0.020 2 1324 138 138 GLY HA3 H 3.957 0.020 2 1325 138 138 GLY C C 169.895 0.3 1 1326 138 138 GLY CA C 45.489 0.3 1 1327 138 138 GLY N N 111.577 0.3 1 1328 139 139 ARG H H 7.603 0.020 1 1329 139 139 ARG HA H 4.385 0.020 1 1330 139 139 ARG HB2 H 1.690 0.020 1 1331 139 139 ARG HB3 H 1.690 0.020 1 1332 139 139 ARG HG2 H 1.520 0.020 1 1333 139 139 ARG HG3 H 1.520 0.020 1 1334 139 139 ARG HD2 H 3.378 0.020 2 1335 139 139 ARG HD3 H 3.177 0.020 2 1336 139 139 ARG C C 175.133 0.3 1 1337 139 139 ARG CA C 53.161 0.3 1 1338 139 139 ARG CB C 29.666 0.3 1 1339 139 139 ARG N N 112.983 0.3 1 1340 141 141 PRO HA H 4.633 0.020 1 1341 141 141 PRO HB2 H 2.116 0.020 1 1342 141 141 PRO HB3 H 2.116 0.020 1 1343 141 141 PRO HG2 H 1.839 0.020 1 1344 141 141 PRO HG3 H 1.839 0.020 1 1345 141 141 PRO HD2 H 3.702 0.020 1 1346 141 141 PRO HD3 H 3.702 0.020 1 1347 141 141 PRO C C 176.503 0.3 1 1348 141 141 PRO CA C 62.956 0.3 1 1349 141 141 PRO CB C 32.953 0.3 1 1350 141 141 PRO CG C 26.319 0.3 1 1351 142 142 GLY H H 8.228 0.020 1 1352 142 142 GLY HA2 H 4.068 0.020 2 1353 142 142 GLY HA3 H 3.692 0.020 2 1354 142 142 GLY C C 175.076 0.3 1 1355 142 142 GLY CA C 44.530 0.3 1 1356 142 142 GLY N N 107.144 0.3 1 1357 143 143 ARG HA H 4.265 0.020 1 1358 143 143 ARG HB2 H 2.035 0.020 1 1359 143 143 ARG HB3 H 2.035 0.020 1 1360 143 143 ARG HG2 H 1.577 0.020 1 1361 143 143 ARG HG3 H 1.577 0.020 1 1362 143 143 ARG HD2 H 3.167 0.020 1 1363 143 143 ARG HD3 H 3.167 0.020 1 1364 143 143 ARG C C 175.848 0.3 1 1365 143 143 ARG CA C 55.421 0.3 1 1366 143 143 ARG CB C 29.118 0.3 1 1367 143 143 ARG CG C 27.026 0.3 1 1368 143 143 ARG CD C 43.212 0.3 1 1369 144 144 LYS H H 7.542 0.020 1 1370 144 144 LYS HA H 4.059 0.020 1 1371 144 144 LYS HB2 H 1.762 0.020 1 1372 144 144 LYS HB3 H 1.762 0.020 1 1373 144 144 LYS HG2 H 1.283 0.020 1 1374 144 144 LYS HG3 H 1.283 0.020 1 1375 144 144 LYS HD2 H 1.605 0.020 1 1376 144 144 LYS HD3 H 1.605 0.020 1 1377 144 144 LYS HE2 H 3.008 0.020 1 1378 144 144 LYS HE3 H 3.008 0.020 1 1379 144 144 LYS C C 175.152 0.3 1 1380 144 144 LYS CA C 56.312 0.3 1 1381 144 144 LYS CB C 32.611 0.3 1 1382 144 144 LYS CG C 24.405 0.3 1 1383 144 144 LYS CD C 29.004 0.3 1 1384 144 144 LYS CE C 41.669 0.3 1 1385 144 144 LYS N N 121.850 0.3 1 1386 145 145 ASP H H 8.507 0.020 1 1387 145 145 ASP HA H 4.703 0.020 1 1388 145 145 ASP HB2 H 2.740 0.020 1 1389 145 145 ASP HB3 H 2.740 0.020 1 1390 145 145 ASP C C 176.208 0.3 1 1391 145 145 ASP CA C 52.339 0.3 1 1392 145 145 ASP CB C 42.406 0.3 1 1393 145 145 ASP N N 126.413 0.3 1 1394 146 146 PRO HA H 4.673 0.020 1 1395 146 146 PRO HB2 H 2.136 0.020 1 1396 146 146 PRO HB3 H 2.136 0.020 1 1397 146 146 PRO HG2 H 1.819 0.020 1 1398 146 146 PRO HG3 H 1.819 0.020 1 1399 146 146 PRO HD2 H 3.642 0.020 1 1400 146 146 PRO HD3 H 3.642 0.020 1 1401 146 146 PRO C C 177.555 0.3 1 1402 146 146 PRO CA C 65.628 0.3 1 1403 146 146 PRO CB C 32.542 0.3 1 1404 146 146 PRO CG C 27.478 0.3 1 1405 146 146 PRO CD C 51.475 0.3 1 1406 147 147 ALA H H 8.161 0.020 1 1407 147 147 ALA HA H 3.996 0.020 1 1408 147 147 ALA HB H 1.362 0.020 1 1409 147 147 ALA C C 179.236 0.3 1 1410 147 147 ALA CA C 54.599 0.3 1 1411 147 147 ALA CB C 18.363 0.3 1 1412 147 147 ALA N N 119.068 0.3 1 1413 148 148 ALA H H 7.210 0.020 1 1414 148 148 ALA HA H 4.167 0.020 1 1415 148 148 ALA HB H 1.511 0.020 1 1416 148 148 ALA C C 180.397 0.3 1 1417 148 148 ALA CA C 54.188 0.3 1 1418 148 148 ALA CB C 18.774 0.3 1 1419 148 148 ALA N N 118.488 0.3 1 1420 149 149 PHE H H 8.099 0.020 1 1421 149 149 PHE HA H 4.138 0.020 1 1422 149 149 PHE HB2 H 3.059 0.020 1 1423 149 149 PHE HB3 H 3.059 0.020 1 1424 149 149 PHE HD1 H 7.196 0.020 1 1425 149 149 PHE HD2 H 7.196 0.020 1 1426 149 149 PHE C C 178.080 0.3 1 1427 149 149 PHE CA C 60.353 0.3 1 1428 149 149 PHE CB C 40.831 0.3 1 1429 149 149 PHE CD1 C 129.829 0.3 1 1430 149 149 PHE CD2 C 129.829 0.3 1 1431 149 149 PHE N N 118.247 0.3 1 1432 150 150 VAL H H 7.587 0.020 1 1433 150 150 VAL HA H 3.837 0.020 1 1434 150 150 VAL HB H 1.828 0.020 1 1435 150 150 VAL HG1 H 1.094 0.020 1 1436 150 150 VAL HG2 H 0.199 0.020 1 1437 150 150 VAL C C 174.757 0.3 1 1438 150 150 VAL CA C 63.847 0.3 1 1439 150 150 VAL CB C 30.762 0.3 1 1440 150 150 VAL CG1 C 22.370 0.3 1 1441 150 150 VAL CG2 C 15.961 0.3 1 1442 150 150 VAL N N 107.786 0.3 1 1443 151 151 LEU H H 6.914 0.020 1 1444 151 151 LEU HA H 4.475 0.020 1 1445 151 151 LEU HB2 H 1.731 0.020 2 1446 151 151 LEU HB3 H 1.731 0.020 2 1447 151 151 LEU HG H 1.392 0.020 1 1448 151 151 LEU HD1 H 0.846 0.020 1 1449 151 151 LEU HD2 H 0.948 0.020 1 1450 151 151 LEU C C 174.926 0.3 1 1451 151 151 LEU CA C 53.709 0.3 1 1452 151 151 LEU CB C 41.036 0.3 1 1453 151 151 LEU CG C 25.611 0.3 1 1454 151 151 LEU CD1 C 21.842 0.3 1 1455 151 151 LEU CD2 C 21.842 0.3 1 1456 151 151 LEU N N 118.783 0.3 1 1457 152 152 GLU H H 6.823 0.020 1 1458 152 152 GLU HA H 4.325 0.020 1 1459 152 152 GLU HB2 H 1.772 0.020 2 1460 152 152 GLU HB3 H 1.772 0.020 2 1461 152 152 GLU HG2 H 2.566 0.020 2 1462 152 152 GLU HG3 H 2.178 0.020 2 1463 152 152 GLU C C 175.752 0.3 1 1464 152 152 GLU CA C 54.599 0.3 1 1465 152 152 GLU CB C 31.995 0.3 1 1466 152 152 GLU CG C 36.392 0.3 1 1467 152 152 GLU N N 118.356 0.3 1 1468 153 153 ASN H H 8.064 0.020 1 1469 153 153 ASN HA H 4.603 0.020 1 1470 153 153 ASN HB2 H 2.874 0.020 2 1471 153 153 ASN HB3 H 2.518 0.020 2 1472 153 153 ASN C C 175.734 0.3 1 1473 153 153 ASN CA C 52.750 0.3 1 1474 153 153 ASN CB C 38.844 0.3 1 1475 153 153 ASN N N 116.805 0.3 1 1476 154 154 PHE H H 7.410 0.020 1 1477 154 154 PHE HA H 4.325 0.020 1 1478 154 154 PHE HB2 H 3.391 0.020 2 1479 154 154 PHE HB3 H 2.769 0.020 2 1480 154 154 PHE HD1 H 7.587 0.020 1 1481 154 154 PHE HD2 H 7.587 0.020 1 1482 154 154 PHE C C 177.142 0.3 1 1483 154 154 PHE CA C 60.148 0.3 1 1484 154 154 PHE CB C 38.776 0.3 1 1485 154 154 PHE CD1 C 130.752 0.3 1 1486 154 154 PHE CD2 C 130.752 0.3 1 1487 154 154 PHE N N 116.744 0.3 1 1488 155 155 THR H H 9.356 0.020 1 1489 155 155 THR HA H 4.691 0.020 1 1490 155 155 THR HB H 4.341 0.020 1 1491 155 155 THR HG2 H 1.300 0.020 1 1492 155 155 THR C C 174.870 0.3 1 1493 155 155 THR CA C 61.648 0.3 1 1494 155 155 THR CB C 70.697 0.3 1 1495 155 155 THR CG2 C 21.616 0.3 1 1496 155 155 THR N N 113.714 0.3 1 1497 156 156 ALA H H 8.931 0.020 1 1498 156 156 ALA HA H 4.339 0.020 1 1499 156 156 ALA HB H 1.458 0.020 1 1500 156 156 ALA C C 180.132 0.3 1 1501 156 156 ALA CA C 56.106 0.3 1 1502 156 156 ALA CB C 17.952 0.3 1 1503 156 156 ALA N N 122.937 0.3 1 1504 157 157 ALA H H 8.248 0.020 1 1505 157 157 ALA HA H 4.167 0.020 1 1506 157 157 ALA HB H 1.353 0.020 1 1507 157 157 ALA C C 181.009 0.3 1 1508 157 157 ALA CA C 54.668 0.3 1 1509 157 157 ALA CB C 18.500 0.3 1 1510 157 157 ALA N N 118.892 0.3 1 1511 158 158 GLU H H 7.486 0.020 1 1512 158 158 GLU HA H 3.778 0.020 1 1513 158 158 GLU HB2 H 1.630 0.020 1 1514 158 158 GLU HB3 H 1.630 0.020 1 1515 158 158 GLU HG2 H 2.462 0.020 1 1516 158 158 GLU HG3 H 2.462 0.020 1 1517 158 158 GLU C C 179.920 0.3 1 1518 158 158 GLU CA C 58.298 0.3 1 1519 158 158 GLU CB C 30.762 0.3 1 1520 158 158 GLU CG C 35.789 0.3 1 1521 158 158 GLU N N 118.304 0.3 1 1522 159 159 ARG H H 9.117 0.020 1 1523 159 159 ARG HA H 3.703 0.020 1 1524 159 159 ARG HB2 H 1.910 0.020 1 1525 159 159 ARG HB3 H 1.910 0.020 1 1526 159 159 ARG HG2 H 1.656 0.020 1 1527 159 159 ARG HG3 H 1.656 0.020 1 1528 159 159 ARG HD2 H 3.297 0.020 1 1529 159 159 ARG HD3 H 3.297 0.020 1 1530 159 159 ARG C C 177.793 0.3 1 1531 159 159 ARG CA C 59.763 0.3 1 1532 159 159 ARG CB C 30.419 0.3 1 1533 159 159 ARG CG C 28.099 0.3 1 1534 159 159 ARG CD C 43.705 0.3 1 1535 159 159 ARG N N 118.363 0.3 1 1536 160 160 ALA H H 7.227 0.020 1 1537 160 160 ALA HA H 4.182 0.020 1 1538 160 160 ALA HB H 1.516 0.020 1 1539 160 160 ALA C C 178.512 0.3 1 1540 160 160 ALA CA C 54.325 0.3 1 1541 160 160 ALA CB C 18.774 0.3 1 1542 160 160 ALA N N 118.334 0.3 1 1543 161 161 GLU H H 7.705 0.020 1 1544 161 161 GLU HA H 4.543 0.020 1 1545 161 161 GLU HB2 H 2.108 0.020 2 1546 161 161 GLU HB3 H 2.108 0.020 2 1547 161 161 GLU HG2 H 2.373 0.020 2 1548 161 161 GLU HG3 H 2.373 0.020 2 1549 161 161 GLU C C 177.085 0.3 1 1550 161 161 GLU CA C 56.243 0.3 1 1551 161 161 GLU CB C 31.926 0.3 1 1552 161 161 GLU CG C 36.091 0.3 1 1553 161 161 GLU N N 114.910 0.3 1 1554 162 162 VAL H H 7.509 0.020 1 1555 162 162 VAL HA H 4.153 0.020 1 1556 162 162 VAL HB H 1.969 0.020 1 1557 162 162 VAL HG1 H 0.668 0.020 1 1558 162 162 VAL HG2 H 0.668 0.020 1 1559 162 162 VAL C C 173.208 0.3 1 1560 162 162 VAL CA C 68.779 0.3 1 1561 162 162 VAL CB C 30.214 0.3 1 1562 162 162 VAL N N 120.126 0.3 1 1563 163 163 PRO HA H 4.158 0.020 1 1564 163 163 PRO HB2 H 2.332 0.020 2 1565 163 163 PRO HB3 H 2.334 0.020 2 1566 163 163 PRO HG2 H 1.819 0.020 1 1567 163 163 PRO HG3 H 1.819 0.020 1 1568 163 163 PRO HD2 H 3.266 0.020 1 1569 163 163 PRO HD3 H 3.266 0.020 1 1570 163 163 PRO C C 179.146 0.3 1 1571 163 163 PRO CA C 66.724 0.3 1 1572 163 163 PRO CB C 30.762 0.3 1 1573 163 163 PRO CG C 29.063 0.3 1 1574 163 163 PRO CD C 49.888 0.3 1 1575 164 164 THR H H 7.260 0.020 1 1576 164 164 THR HA H 4.295 0.020 1 1577 164 164 THR HB H 3.877 0.020 1 1578 164 164 THR HG2 H 1.115 0.020 1 1579 164 164 THR C C 175.696 0.3 1 1580 164 164 THR CA C 66.244 0.3 1 1581 164 164 THR CB C 68.710 0.3 1 1582 164 164 THR CG2 C 21.691 0.3 1 1583 164 164 THR N N 113.503 0.3 1 1584 165 165 ILE H H 7.781 0.020 1 1585 165 165 ILE HA H 3.725 0.020 1 1586 165 165 ILE HB H 1.678 0.020 1 1587 165 165 ILE HG12 H 1.462 0.020 2 1588 165 165 ILE HG13 H 1.462 0.020 2 1589 165 165 ILE HG2 H 0.861 0.020 1 1590 165 165 ILE HD1 H 0.633 0.020 1 1591 165 165 ILE C C 177.949 0.3 1 1592 165 165 ILE CA C 65.148 0.3 1 1593 165 165 ILE CB C 38.433 0.3 1 1594 165 165 ILE CG1 C 28.778 0.3 1 1595 165 165 ILE CG2 C 17.168 0.3 1 1596 165 165 ILE CD1 C 14.906 0.3 1 1597 165 165 ILE N N 124.266 0.3 1 1598 166 166 VAL H H 8.605 0.020 1 1599 166 166 VAL HA H 3.511 0.020 1 1600 166 166 VAL HB H 2.092 0.020 1 1601 166 166 VAL HG1 H 0.930 0.020 1 1602 166 166 VAL HG2 H 0.930 0.020 1 1603 166 166 VAL C C 178.062 0.3 1 1604 166 166 VAL CA C 66.792 0.3 1 1605 166 166 VAL CB C 31.378 0.3 1 1606 166 166 VAL CG1 C 23.123 0.3 1 1607 166 166 VAL CG2 C 22.219 0.3 1 1608 166 166 VAL N N 117.723 0.3 1 1609 167 167 GLU H H 7.408 0.020 1 1610 167 167 GLU HA H 3.843 0.020 1 1611 167 167 GLU HB2 H 2.105 0.020 2 1612 167 167 GLU HB3 H 2.105 0.020 2 1613 167 167 GLU HG2 H 2.320 0.020 1 1614 167 167 GLU HG3 H 2.320 0.020 1 1615 167 167 GLU C C 179.000 0.3 1 1616 167 167 GLU CA C 59.805 0.3 1 1617 167 167 GLU CB C 29.186 0.3 1 1618 167 167 GLU CG C 35.563 0.3 1 1619 167 167 GLU N N 119.572 0.3 1 1620 168 168 GLN H H 8.298 0.020 1 1621 168 168 GLN HA H 3.967 0.020 1 1622 168 168 GLN HB2 H 1.859 0.020 1 1623 168 168 GLN HB3 H 1.859 0.020 1 1624 168 168 GLN HG2 H 2.369 0.020 2 1625 168 168 GLN HG3 H 2.369 0.020 2 1626 168 168 GLN C C 179.038 0.3 1 1627 168 168 GLN CA C 59.463 0.3 1 1628 168 168 GLN CB C 28.912 0.3 1 1629 168 168 GLN CG C 34.960 0.3 1 1630 168 168 GLN N N 118.334 0.3 1 1631 169 169 ALA H H 9.106 0.020 1 1632 169 169 ALA HA H 4.062 0.020 1 1633 169 169 ALA HB H 1.433 0.020 1 1634 169 169 ALA C C 180.408 0.3 1 1635 169 169 ALA CA C 55.216 0.3 1 1636 169 169 ALA CB C 19.185 0.3 1 1637 169 169 ALA N N 123.008 0.3 1 1638 170 170 ALA H H 8.364 0.020 1 1639 170 170 ALA HA H 3.930 0.020 1 1640 170 170 ALA HB H 1.508 0.020 1 1641 170 170 ALA C C 178.831 0.3 1 1642 170 170 ALA CA C 55.969 0.3 1 1643 170 170 ALA CB C 17.130 0.3 1 1644 170 170 ALA N N 125.275 0.3 1 1645 171 171 ASP H H 8.656 0.020 1 1646 171 171 ASP HA H 4.253 0.020 1 1647 171 171 ASP HB2 H 3.319 0.020 2 1648 171 171 ASP HB3 H 2.793 0.020 2 1649 171 171 ASP C C 179.507 0.3 1 1650 171 171 ASP CA C 57.887 0.3 1 1651 171 171 ASP CB C 39.735 0.3 1 1652 171 171 ASP N N 120.702 0.3 1 1653 172 172 ALA H H 9.380 0.020 1 1654 172 172 ALA HA H 3.940 0.020 1 1655 172 172 ALA HB H 1.629 0.020 1 1656 172 172 ALA C C 178.137 0.3 1 1657 172 172 ALA CA C 55.010 0.3 1 1658 172 172 ALA CB C 19.870 0.3 1 1659 172 172 ALA N N 122.759 0.3 1 1660 173 173 THR H H 7.811 0.020 1 1661 173 173 THR HA H 4.430 0.020 1 1662 173 173 THR HB H 3.531 0.020 1 1663 173 173 THR HG2 H 0.983 0.020 1 1664 173 173 THR C C 175.940 0.3 1 1665 173 173 THR CA C 68.162 0.3 1 1666 173 173 THR CB C 68.162 0.3 1 1667 173 173 THR CG2 C 20.636 0.3 1 1668 173 173 THR N N 115.154 0.3 1 1669 174 174 GLU H H 7.832 0.020 1 1670 174 174 GLU HA H 3.644 0.020 1 1671 174 174 GLU HB2 H 1.804 0.020 1 1672 174 174 GLU HB3 H 1.804 0.020 1 1673 174 174 GLU HG2 H 2.123 0.020 1 1674 174 174 GLU HG3 H 2.123 0.020 1 1675 174 174 GLU C C 178.475 0.3 1 1676 174 174 GLU CA C 61.381 0.3 1 1677 174 174 GLU CB C 30.214 0.3 1 1678 174 174 GLU CG C 38.277 0.3 1 1679 174 174 GLU N N 118.915 0.3 1 1680 175 175 LEU H H 8.144 0.020 1 1681 175 175 LEU HA H 3.949 0.020 1 1682 175 175 LEU HB2 H 1.765 0.020 2 1683 175 175 LEU HB3 H 1.765 0.020 2 1684 175 175 LEU HG H 1.272 0.020 1 1685 175 175 LEU HD1 H 0.891 0.020 1 1686 175 175 LEU HD2 H 0.891 0.020 1 1687 175 175 LEU C C 178.268 0.3 1 1688 175 175 LEU CA C 58.230 0.3 1 1689 175 175 LEU CB C 42.475 0.3 1 1690 175 175 LEU CG C 27.421 0.3 1 1691 175 175 LEU CD1 C 25.385 0.3 1 1692 175 175 LEU CD2 C 24.179 0.3 1 1693 175 175 LEU N N 119.457 0.3 1 1694 176 176 LEU H H 7.970 0.020 1 1695 176 176 LEU HA H 3.591 0.020 1 1696 176 176 LEU HB2 H 2.079 0.020 1 1697 176 176 LEU HB3 H 2.079 0.020 1 1698 176 176 LEU HG H 1.300 0.020 1 1699 176 176 LEU HD1 H 0.640 0.020 1 1700 176 176 LEU HD2 H 0.640 0.020 1 1701 176 176 LEU C C 177.799 0.3 1 1702 176 176 LEU CA C 58.093 0.3 1 1703 176 176 LEU CB C 41.721 0.3 1 1704 176 176 LEU CG C 26.591 0.3 1 1705 176 176 LEU CD1 C 23.576 0.3 1 1706 176 176 LEU CD2 C 23.576 0.3 1 1707 176 176 LEU N N 120.413 0.3 1 1708 177 177 ILE H H 7.576 0.020 1 1709 177 177 ILE HA H 3.927 0.020 1 1710 177 177 ILE HB H 1.762 0.020 1 1711 177 177 ILE HG12 H 1.303 0.020 1 1712 177 177 ILE HG13 H 1.303 0.020 1 1713 177 177 ILE HG2 H 0.999 0.020 1 1714 177 177 ILE HD1 H 0.643 0.020 1 1715 177 177 ILE C C 177.123 0.3 1 1716 177 177 ILE CA C 65.148 0.3 1 1717 177 177 ILE CB C 38.433 0.3 1 1718 177 177 ILE CG1 C 27.571 0.3 1 1719 177 177 ILE CG2 C 14.378 0.3 1 1720 177 177 ILE CD1 C 17.545 0.3 1 1721 177 177 ILE N N 115.277 0.3 1 1722 178 178 ALA H H 8.237 0.020 1 1723 178 178 ALA HA H 5.021 0.020 1 1724 178 178 ALA HB H 1.524 0.020 1 1725 178 178 ALA C C 179.901 0.3 1 1726 178 178 ALA CA C 54.668 0.3 1 1727 178 178 ALA CB C 20.624 0.3 1 1728 178 178 ALA N N 118.887 0.3 1 1729 179 179 GLN H H 8.646 0.020 1 1730 179 179 GLN HA H 4.440 0.020 1 1731 179 179 GLN HB2 H 2.237 0.020 2 1732 179 179 GLN HB3 H 2.237 0.020 2 1733 179 179 GLN HG2 H 2.363 0.020 2 1734 179 179 GLN HG3 H 2.363 0.020 2 1735 179 179 GLN C C 177.254 0.3 1 1736 179 179 GLN CA C 55.627 0.3 1 1737 179 179 GLN CB C 30.762 0.3 1 1738 179 179 GLN CG C 33.829 0.3 1 1739 179 179 GLN N N 112.225 0.3 1 1740 180 180 GLY H H 7.811 0.020 1 1741 180 180 GLY HA2 H 4.306 0.020 2 1742 180 180 GLY HA3 H 3.665 0.020 2 1743 180 180 GLY C C 173.095 0.3 1 1744 180 180 GLY CA C 43.845 0.3 1 1745 180 180 GLY N N 109.528 0.3 1 1746 181 181 LEU HA H 3.712 0.020 1 1747 181 181 LEU HB2 H 1.799 0.020 1 1748 181 181 LEU HB3 H 1.799 0.020 1 1749 181 181 LEU HG H 1.502 0.020 1 1750 181 181 LEU HD1 H 1.006 0.020 1 1751 181 181 LEU HD2 H 0.847 0.020 1 1752 181 181 LEU C C 177.257 0.3 1 1753 181 181 LEU CA C 59.463 0.3 1 1754 181 181 LEU CB C 42.612 0.3 1 1755 181 181 LEU CG C 26.799 0.3 1 1756 181 181 LEU CD1 C 24.535 0.3 1 1757 181 181 LEU CD2 C 24.535 0.3 1 1758 182 182 GLU H H 8.909 0.020 1 1759 182 182 GLU HA H 4.227 0.020 1 1760 182 182 GLU HB2 H 2.047 0.020 1 1761 182 182 GLU HB3 H 2.047 0.020 1 1762 182 182 GLU HG2 H 2.245 0.020 1 1763 182 182 GLU HG3 H 2.245 0.020 1 1764 182 182 GLU C C 176.406 0.3 1 1765 182 182 GLU CA C 61.723 0.3 1 1766 182 182 GLU CB C 26.720 0.3 1 1767 182 182 GLU N N 116.836 0.3 1 1768 183 183 PRO HA H 4.237 0.020 1 1769 183 183 PRO HB2 H 2.057 0.020 1 1770 183 183 PRO HB3 H 2.057 0.020 1 1771 183 183 PRO HG2 H 1.799 0.020 1 1772 183 183 PRO HG3 H 1.799 0.020 1 1773 183 183 PRO HD2 H 2.889 0.020 1 1774 183 183 PRO HD3 H 2.889 0.020 1 1775 183 183 PRO C C 179.992 0.3 1 1776 183 183 PRO CA C 65.217 0.3 1 1777 183 183 PRO CB C 31.173 0.3 1 1778 183 183 PRO CG C 28.592 0.3 1 1779 184 184 ALA H H 7.350 0.020 1 1780 184 184 ALA HA H 3.835 0.020 1 1781 184 184 ALA HB H 1.159 0.020 1 1782 184 184 ALA C C 179.526 0.3 1 1783 184 184 ALA CA C 55.490 0.3 1 1784 184 184 ALA CB C 18.158 0.3 1 1785 184 184 ALA N N 118.151 0.3 1 1786 185 185 GLN H H 8.848 0.020 1 1787 185 185 GLN HA H 3.006 0.020 1 1788 185 185 GLN HB2 H 2.159 0.020 1 1789 185 185 GLN HB3 H 2.159 0.020 1 1790 185 185 GLN HG2 H 2.543 0.020 2 1791 185 185 GLN HG3 H 2.544 0.020 2 1792 185 185 GLN C C 177.555 0.3 1 1793 185 185 GLN CA C 58.983 0.3 1 1794 185 185 GLN CB C 28.775 0.3 1 1795 185 185 GLN CG C 34.960 0.3 1 1796 185 185 GLN N N 118.148 0.3 1 1797 186 186 ASN H H 7.537 0.020 1 1798 186 186 ASN HA H 4.161 0.020 1 1799 186 186 ASN HB2 H 2.779 0.020 1 1800 186 186 ASN HB3 H 2.779 0.020 1 1801 186 186 ASN C C 177.160 0.3 1 1802 186 186 ASN CA C 56.038 0.3 1 1803 186 186 ASN CB C 38.228 0.3 1 1804 186 186 ASN N N 115.032 0.3 1 1805 187 187 THR H H 7.120 0.020 1 1806 187 187 THR HA H 3.864 0.020 1 1807 187 187 THR HB H 4.192 0.020 1 1808 187 187 THR HG2 H 1.151 0.020 1 1809 187 187 THR C C 174.739 0.3 1 1810 187 187 THR CA C 65.422 0.3 1 1811 187 187 THR CB C 69.532 0.3 1 1812 187 187 THR CG2 C 21.993 0.3 1 1813 187 187 THR N N 114.421 0.3 1 1814 188 188 VAL H H 8.333 0.020 1 1815 188 188 VAL HA H 4.385 0.020 1 1816 188 188 VAL HB H 1.579 0.020 1 1817 188 188 VAL HG1 H 0.584 0.020 1 1818 188 188 VAL HG2 H 0.364 0.020 1 1819 188 188 VAL C C 178.043 0.3 1 1820 188 188 VAL CA C 64.326 0.3 1 1821 188 188 VAL CB C 31.858 0.3 1 1822 188 188 VAL CG1 C 23.274 0.3 1 1823 188 188 VAL CG2 C 19.731 0.3 1 1824 188 188 VAL N N 119.580 0.3 1 1825 189 189 HIS H H 8.674 0.020 1 1826 189 189 HIS HA H 4.670 0.020 1 1827 189 189 HIS HB2 H 3.271 0.020 2 1828 189 189 HIS HB3 H 3.097 0.020 2 1829 189 189 HIS C C 175.114 0.3 1 1830 189 189 HIS CA C 56.312 0.3 1 1831 189 189 HIS CB C 27.474 0.3 1 1832 189 189 HIS N N 115.949 0.3 1 1833 190 190 ALA H H 6.983 0.020 1 1834 190 190 ALA HA H 4.584 0.020 1 1835 190 190 ALA HB H 1.514 0.020 1 1836 190 190 ALA C C 177.906 0.3 1 1837 190 190 ALA CA C 51.791 0.3 1 1838 190 190 ALA CB C 19.665 0.3 1 1839 190 190 ALA N N 120.346 0.3 1 1840 191 191 TRP H H 7.463 0.020 1 1841 191 191 TRP HA H 4.623 0.020 1 1842 191 191 TRP HB2 H 3.513 0.020 2 1843 191 191 TRP HB3 H 3.216 0.020 2 1844 191 191 TRP HD1 H 6.979 0.020 1 1845 191 191 TRP C C 182.604 0.3 1 1846 191 191 TRP CA C 57.956 0.3 1 1847 191 191 TRP CB C 29.255 0.3 1 1848 191 191 TRP CD1 C 125.822 0.3 1 1849 191 191 TRP N N 126.437 0.3 1 stop_ save_