data_27852 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignments for the GSPII-B domain of the traffic ATPase PilF from Thermus thermophilus in the apo and c-di-GMP-bound states ; _BMRB_accession_number 27852 _BMRB_flat_file_name bmr27852.str _Entry_type original _Submission_date 2019-03-26 _Accession_date 2019-03-26 _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 Neissner Konstantin . . 2 Keller Heiko . . 3 Hacker Carolin . . 4 Durchardt-Ferner Elke . . 5 Woehnert Jens . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 857 "13C chemical shifts" 647 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-22 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27853 'c-di-GMP bound PilF159-302' stop_ _Original_release_date 2019-03-26 save_ ############################# # Citation for this entry # ############################# save_Letter _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignments for the GSPII-B domain of the traffic ATPase PilF from Thermus thermophilus in the apo and the c-di-GMP-bound state ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31432400 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Neissner Konstantin . . 2 Keller Heiko . . 3 Duchardt-Ferner Elke . . 4 Hacker Carolin . . 5 Kruse Kerstin . . 6 Averhoff Beate . . 7 Wohnert Jens . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 13 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 383 _Page_last 390 _Year 2019 _Details . loop_ _Keyword NMR-assignment stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'apo tate PilF159-302' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PilF159-302 $PilF159-302 stop_ _System_molecular_weight 16960 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details Protein save_ ######################## # Monomeric polymers # ######################## save_PilF159-302 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PilF159-302 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; GSSGEGQKDLKLGELLLQKG WISREALEEALVEQEKTGDL LGRILVRKGLPEEALYRALA EQKGLEFLESTEGIVPDPSA ALLLLRSDALRYGAVPIGFQ NGEVEVVLSDPRHKEAVAQL LNRPARFYLALPQAWEELFR RAYPQK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 GLU 6 GLY 7 GLN 8 LYS 9 ASP 10 LEU 11 LYS 12 LEU 13 GLY 14 GLU 15 LEU 16 LEU 17 LEU 18 GLN 19 LYS 20 GLY 21 TRP 22 ILE 23 SER 24 ARG 25 GLU 26 ALA 27 LEU 28 GLU 29 GLU 30 ALA 31 LEU 32 VAL 33 GLU 34 GLN 35 GLU 36 LYS 37 THR 38 GLY 39 ASP 40 LEU 41 LEU 42 GLY 43 ARG 44 ILE 45 LEU 46 VAL 47 ARG 48 LYS 49 GLY 50 LEU 51 PRO 52 GLU 53 GLU 54 ALA 55 LEU 56 TYR 57 ARG 58 ALA 59 LEU 60 ALA 61 GLU 62 GLN 63 LYS 64 GLY 65 LEU 66 GLU 67 PHE 68 LEU 69 GLU 70 SER 71 THR 72 GLU 73 GLY 74 ILE 75 VAL 76 PRO 77 ASP 78 PRO 79 SER 80 ALA 81 ALA 82 LEU 83 LEU 84 LEU 85 LEU 86 ARG 87 SER 88 ASP 89 ALA 90 LEU 91 ARG 92 TYR 93 GLY 94 ALA 95 VAL 96 PRO 97 ILE 98 GLY 99 PHE 100 GLN 101 ASN 102 GLY 103 GLU 104 VAL 105 GLU 106 VAL 107 VAL 108 LEU 109 SER 110 ASP 111 PRO 112 ARG 113 HIS 114 LYS 115 GLU 116 ALA 117 VAL 118 ALA 119 GLN 120 LEU 121 LEU 122 ASN 123 ARG 124 PRO 125 ALA 126 ARG 127 PHE 128 TYR 129 LEU 130 ALA 131 LEU 132 PRO 133 GLN 134 ALA 135 TRP 136 GLU 137 GLU 138 LEU 139 PHE 140 ARG 141 ARG 142 ALA 143 TYR 144 PRO 145 GLN 146 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PilF159-302 'Thermus thermophilus' 274 Bacteria . Thermus thermophilus 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 $PilF159-302 'recombinant technology' . Escherichia coli . pET-11a_PilF159-302 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 $PilF159-302 523 uM '[U-13C; U-15N]' D2O 10 % 'natural abundance' DSS 200 uM 'natural abundance' Bis-TRIS 50 mM 'natural abundance' beta-mercaptoethanol 1 % 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version v1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AV600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_AV599 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 599 _Details . save_ save_AV800 _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_C(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 . pH pressure 1 . atm temperature 318 . 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 C(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HCACO' '3D HN(CO)CA' '3D HNCA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '2D 1H-13C HSQC aliphatic' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PilF159-302 _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 4 4 GLY H H 8.354 0.020 1 2 4 4 GLY HA2 H 3.988 0.020 1 3 4 4 GLY HA3 H 3.988 0.020 1 4 4 4 GLY C C 174.458 0.3 1 5 4 4 GLY CA C 45.306 0.3 1 6 4 4 GLY N N 110.590 0.3 1 7 5 5 GLU H H 8.255 0.020 1 8 5 5 GLU HA H 4.291 0.020 1 9 5 5 GLU HB2 H 2.078 0.020 2 10 5 5 GLU HB3 H 1.948 0.020 2 11 5 5 GLU HG2 H 2.269 0.020 1 12 5 5 GLU HG3 H 2.269 0.020 1 13 5 5 GLU C C 177.282 0.3 1 14 5 5 GLU CA C 56.943 0.3 1 15 5 5 GLU CB C 30.215 0.3 1 16 5 5 GLU CG C 36.126 0.3 1 17 5 5 GLU N N 120.696 0.3 1 18 6 6 GLY H H 8.404 0.020 1 19 6 6 GLY HA2 H 3.921 0.020 1 20 6 6 GLY HA3 H 3.921 0.020 1 21 6 6 GLY C C 174.435 0.3 1 22 6 6 GLY CA C 43.753 0.3 1 23 6 6 GLY N N 109.413 0.3 1 24 7 7 GLN H H 8.164 0.020 1 25 7 7 GLN HA H 4.330 0.020 1 26 7 7 GLN HB2 H 2.123 0.020 2 27 7 7 GLN HB3 H 1.996 0.020 2 28 7 7 GLN HG2 H 2.365 0.020 1 29 7 7 GLN HG3 H 2.365 0.020 1 30 7 7 GLN HE21 H 7.364 0.020 1 31 7 7 GLN HE22 H 6.706 0.020 1 32 7 7 GLN C C 176.427 0.3 1 33 7 7 GLN CA C 56.161 0.3 1 34 7 7 GLN CB C 29.096 0.3 1 35 7 7 GLN CG C 33.981 0.3 1 36 7 7 GLN N N 119.766 0.3 1 37 7 7 GLN NE2 N 111.265 0.3 1 38 8 8 LYS H H 8.171 0.020 1 39 8 8 LYS HA H 4.218 0.020 1 40 8 8 LYS HB2 H 1.812 0.020 1 41 8 8 LYS HB3 H 1.812 0.020 1 42 8 8 LYS HG2 H 1.393 0.020 1 43 8 8 LYS HG3 H 1.393 0.020 1 44 8 8 LYS HD2 H 1.681 0.020 1 45 8 8 LYS HD3 H 1.681 0.020 1 46 8 8 LYS C C 176.840 0.3 1 47 8 8 LYS CA C 57.215 0.3 1 48 8 8 LYS CB C 32.813 0.3 1 49 8 8 LYS CG C 24.668 0.3 1 50 8 8 LYS CD C 29.063 0.3 1 51 8 8 LYS CE C 42.144 0.3 1 52 8 8 LYS N N 121.445 0.3 1 53 9 9 ASP H H 8.291 0.020 1 54 9 9 ASP HA H 4.661 0.020 1 55 9 9 ASP HB2 H 2.746 0.020 2 56 9 9 ASP HB3 H 2.656 0.020 2 57 9 9 ASP C C 176.372 0.3 1 58 9 9 ASP CA C 54.772 0.3 1 59 9 9 ASP CB C 40.784 0.3 1 60 9 9 ASP N N 120.579 0.3 1 61 10 10 LEU H H 7.846 0.020 1 62 10 10 LEU HA H 4.158 0.020 1 63 10 10 LEU HB2 H 1.643 0.020 1 64 10 10 LEU HB3 H 1.643 0.020 1 65 10 10 LEU C C 178.948 0.3 1 66 10 10 LEU CA C 56.691 0.3 1 67 10 10 LEU CB C 40.939 0.3 1 68 10 10 LEU N N 121.574 0.3 1 69 11 11 LYS H H 8.264 0.020 1 70 11 11 LYS HA H 4.146 0.020 1 71 11 11 LYS HB2 H 1.817 0.020 2 72 11 11 LYS HB3 H 1.711 0.020 2 73 11 11 LYS HG2 H 1.388 0.020 1 74 11 11 LYS HG3 H 1.388 0.020 1 75 11 11 LYS HD2 H 1.682 0.020 1 76 11 11 LYS HD3 H 1.682 0.020 1 77 11 11 LYS HE2 H 3.004 0.020 1 78 11 11 LYS HE3 H 3.004 0.020 1 79 11 11 LYS C C 178.468 0.3 1 80 11 11 LYS CA C 57.761 0.3 1 81 11 11 LYS CB C 33.812 0.3 1 82 11 11 LYS CG C 24.598 0.3 1 83 11 11 LYS CD C 29.016 0.3 1 84 11 11 LYS CE C 42.292 0.3 1 85 11 11 LYS N N 119.115 0.3 1 86 12 12 LEU H H 7.863 0.020 1 87 12 12 LEU HA H 3.771 0.020 1 88 12 12 LEU HB2 H 1.799 0.020 1 89 12 12 LEU HB3 H 1.799 0.020 1 90 12 12 LEU HG H 1.393 0.020 1 91 12 12 LEU C C 178.368 0.3 1 92 12 12 LEU CA C 58.327 0.3 1 93 12 12 LEU CB C 41.545 0.3 1 94 12 12 LEU CG C 24.549 0.3 1 95 12 12 LEU CD1 C 25.256 0.3 1 96 12 12 LEU CD2 C 22.690 0.3 1 97 12 12 LEU N N 121.941 0.3 1 98 13 13 GLY H H 8.072 0.020 1 99 13 13 GLY HA2 H 3.706 0.020 2 100 13 13 GLY HA3 H 3.427 0.020 2 101 13 13 GLY C C 174.462 0.3 1 102 13 13 GLY CA C 48.105 0.3 1 103 13 13 GLY N N 104.181 0.3 1 104 14 14 GLU H H 7.774 0.020 1 105 14 14 GLU HA H 3.900 0.020 1 106 14 14 GLU HB2 H 2.098 0.020 1 107 14 14 GLU HB3 H 2.098 0.020 1 108 14 14 GLU HG2 H 2.371 0.020 2 109 14 14 GLU HG3 H 2.180 0.020 2 110 14 14 GLU C C 178.820 0.3 1 111 14 14 GLU CA C 59.298 0.3 1 112 14 14 GLU CB C 29.727 0.3 1 113 14 14 GLU CG C 36.602 0.3 1 114 14 14 GLU N N 119.195 0.3 1 115 15 15 LEU H H 7.862 0.020 1 116 15 15 LEU HA H 4.072 0.020 1 117 15 15 LEU HB2 H 1.725 0.020 1 118 15 15 LEU HB3 H 1.725 0.020 1 119 15 15 LEU HG H 1.452 0.020 1 120 15 15 LEU HD1 H 0.833 0.020 2 121 15 15 LEU HD2 H 0.860 0.020 2 122 15 15 LEU C C 178.695 0.3 1 123 15 15 LEU CA C 57.993 0.3 1 124 15 15 LEU CB C 42.076 0.3 1 125 15 15 LEU CG C 27.255 0.3 1 126 15 15 LEU CD1 C 25.300 0.3 1 127 15 15 LEU CD2 C 24.267 0.3 1 128 15 15 LEU N N 121.726 0.3 1 129 16 16 LEU H H 7.948 0.020 1 130 16 16 LEU HA H 3.815 0.020 1 131 16 16 LEU HB2 H 2.077 0.020 2 132 16 16 LEU HB3 H 1.230 0.020 2 133 16 16 LEU HG H 1.832 0.020 1 134 16 16 LEU HD1 H 0.723 0.020 2 135 16 16 LEU HD2 H 0.905 0.020 2 136 16 16 LEU C C 179.079 0.3 1 137 16 16 LEU CA C 58.177 0.3 1 138 16 16 LEU CB C 42.559 0.3 1 139 16 16 LEU CG C 26.796 0.3 1 140 16 16 LEU CD1 C 27.030 0.3 1 141 16 16 LEU CD2 C 24.610 0.3 1 142 16 16 LEU N N 117.538 0.3 1 143 17 17 LEU H H 8.048 0.020 1 144 17 17 LEU HA H 4.217 0.020 1 145 17 17 LEU HB2 H 1.803 0.020 2 146 17 17 LEU HB3 H 1.597 0.020 2 147 17 17 LEU HG H 1.446 0.020 1 148 17 17 LEU HD1 H 0.715 0.020 2 149 17 17 LEU HD2 H 0.677 0.020 2 150 17 17 LEU C C 180.862 0.3 1 151 17 17 LEU CA C 57.975 0.3 1 152 17 17 LEU CB C 42.429 0.3 1 153 17 17 LEU CG C 26.578 0.3 1 154 17 17 LEU CD1 C 23.780 0.3 1 155 17 17 LEU CD2 C 24.481 0.3 1 156 17 17 LEU N N 120.234 0.3 1 157 18 18 GLN H H 8.405 0.020 1 158 18 18 GLN HA H 3.972 0.020 1 159 18 18 GLN HB2 H 2.221 0.020 2 160 18 18 GLN HB3 H 2.146 0.020 2 161 18 18 GLN HG2 H 2.517 0.020 2 162 18 18 GLN HG3 H 2.385 0.020 2 163 18 18 GLN HE21 H 7.304 0.020 1 164 18 18 GLN HE22 H 6.621 0.020 1 165 18 18 GLN C C 178.575 0.3 1 166 18 18 GLN CA C 58.898 0.3 1 167 18 18 GLN CB C 28.092 0.3 1 168 18 18 GLN CG C 33.820 0.3 1 169 18 18 GLN N N 121.647 0.3 1 170 18 18 GLN NE2 N 110.464 0.3 1 171 19 19 LYS H H 7.621 0.020 1 172 19 19 LYS HA H 3.910 0.020 1 173 19 19 LYS HB2 H 1.023 0.020 2 174 19 19 LYS HB3 H 0.693 0.020 2 175 19 19 LYS HG2 H 1.174 0.020 1 176 19 19 LYS HG3 H 1.174 0.020 1 177 19 19 LYS HD2 H 0.887 0.020 1 178 19 19 LYS HD3 H 0.887 0.020 1 179 19 19 LYS HE2 H 2.532 0.020 1 180 19 19 LYS HE3 H 2.532 0.020 1 181 19 19 LYS C C 176.708 0.3 1 182 19 19 LYS CA C 56.329 0.3 1 183 19 19 LYS CB C 32.519 0.3 1 184 19 19 LYS CG C 24.698 0.3 1 185 19 19 LYS CD C 27.786 0.3 1 186 19 19 LYS CE C 41.638 0.3 1 187 19 19 LYS N N 115.352 0.3 1 188 20 20 GLY H H 7.778 0.020 1 189 20 20 GLY HA2 H 4.115 0.020 2 190 20 20 GLY HA3 H 3.945 0.020 2 191 20 20 GLY C C 175.523 0.3 1 192 20 20 GLY CA C 45.173 0.3 1 193 20 20 GLY N N 105.656 0.3 1 194 21 21 TRP H H 7.840 0.020 1 195 21 21 TRP HA H 4.781 0.020 1 196 21 21 TRP HB2 H 2.971 0.020 2 197 21 21 TRP HB3 H 3.257 0.020 2 198 21 21 TRP HD1 H 6.910 0.020 1 199 21 21 TRP HE1 H 10.141 0.020 1 200 21 21 TRP HE3 H 7.395 0.020 1 201 21 21 TRP HZ2 H 7.522 0.020 1 202 21 21 TRP HZ3 H 7.154 0.020 1 203 21 21 TRP HH2 H 7.150 0.020 1 204 21 21 TRP C C 175.092 0.3 1 205 21 21 TRP CA C 56.618 0.3 1 206 21 21 TRP CB C 30.771 0.3 1 207 21 21 TRP CD1 C 125.340 0.3 1 208 21 21 TRP CE3 C 120.457 0.3 1 209 21 21 TRP CZ2 C 114.938 0.3 1 210 21 21 TRP CZ3 C 122.225 0.3 1 211 21 21 TRP CH2 C 124.457 0.3 1 212 21 21 TRP N N 118.812 0.3 1 213 21 21 TRP NE1 N 128.431 0.3 1 214 22 22 ILE H H 7.279 0.020 1 215 22 22 ILE HA H 4.710 0.020 1 216 22 22 ILE HB H 1.805 0.020 1 217 22 22 ILE HG12 H 1.063 0.020 1 218 22 22 ILE HG13 H 1.063 0.020 1 219 22 22 ILE HG2 H 0.844 0.020 1 220 22 22 ILE HD1 H 0.857 0.020 1 221 22 22 ILE C C 173.038 0.3 1 222 22 22 ILE CA C 58.454 0.3 1 223 22 22 ILE CB C 42.595 0.3 1 224 22 22 ILE CG1 C 25.812 0.3 1 225 22 22 ILE CG2 C 18.243 0.3 1 226 22 22 ILE CD1 C 15.365 0.3 1 227 22 22 ILE N N 110.770 0.3 1 228 23 23 SER H H 7.895 0.020 1 229 23 23 SER HA H 4.688 0.020 1 230 23 23 SER HB2 H 4.422 0.020 2 231 23 23 SER HB3 H 4.003 0.020 2 232 23 23 SER C C 174.964 0.3 1 233 23 23 SER CA C 56.311 0.3 1 234 23 23 SER CB C 65.922 0.3 1 235 23 23 SER N N 117.060 0.3 1 236 24 24 ARG H H 8.943 0.020 1 237 24 24 ARG HA H 3.868 0.020 1 238 24 24 ARG HB2 H 1.908 0.020 2 239 24 24 ARG HB3 H 1.826 0.020 2 240 24 24 ARG HG2 H 1.797 0.020 2 241 24 24 ARG HG3 H 1.685 0.020 2 242 24 24 ARG HD2 H 3.323 0.020 2 243 24 24 ARG HD3 H 3.234 0.020 2 244 24 24 ARG C C 178.247 0.3 1 245 24 24 ARG CA C 59.758 0.3 1 246 24 24 ARG CB C 29.344 0.3 1 247 24 24 ARG CG C 27.243 0.3 1 248 24 24 ARG CD C 43.170 0.3 1 249 24 24 ARG N N 121.770 0.3 1 250 25 25 GLU H H 8.942 0.020 1 251 25 25 GLU HA H 4.013 0.020 1 252 25 25 GLU HB2 H 2.061 0.020 2 253 25 25 GLU HB3 H 1.966 0.020 2 254 25 25 GLU HG2 H 2.446 0.020 2 255 25 25 GLU HG3 H 2.282 0.020 2 256 25 25 GLU C C 178.713 0.3 1 257 25 25 GLU CA C 60.190 0.3 1 258 25 25 GLU CB C 28.724 0.3 1 259 25 25 GLU CG C 36.867 0.3 1 260 25 25 GLU N N 118.441 0.3 1 261 26 26 ALA H H 7.822 0.020 1 262 26 26 ALA HA H 4.157 0.020 1 263 26 26 ALA HB H 1.485 0.020 1 264 26 26 ALA C C 180.689 0.3 1 265 26 26 ALA CA C 54.711 0.3 1 266 26 26 ALA CB C 18.360 0.3 1 267 26 26 ALA N N 122.509 0.3 1 268 27 27 LEU H H 7.985 0.020 1 269 27 27 LEU HA H 3.992 0.020 1 270 27 27 LEU HB2 H 2.112 0.020 2 271 27 27 LEU HB3 H 1.437 0.020 2 272 27 27 LEU HG H 1.594 0.020 1 273 27 27 LEU HD1 H 0.783 0.020 2 274 27 27 LEU HD2 H 0.835 0.020 2 275 27 27 LEU C C 177.874 0.3 1 276 27 27 LEU CA C 58.026 0.3 1 277 27 27 LEU CB C 40.968 0.3 1 278 27 27 LEU CG C 27.070 0.3 1 279 27 27 LEU CD1 C 27.009 0.3 1 280 27 27 LEU CD2 C 24.933 0.3 1 281 27 27 LEU N N 119.482 0.3 1 282 28 28 GLU H H 8.407 0.020 1 283 28 28 GLU HA H 3.938 0.020 1 284 28 28 GLU HB2 H 2.107 0.020 1 285 28 28 GLU HB3 H 2.107 0.020 1 286 28 28 GLU HG2 H 2.464 0.020 2 287 28 28 GLU HG3 H 2.268 0.020 2 288 28 28 GLU C C 179.533 0.3 1 289 28 28 GLU CA C 60.003 0.3 1 290 28 28 GLU CB C 28.949 0.3 1 291 28 28 GLU CG C 36.111 0.3 1 292 28 28 GLU N N 117.784 0.3 1 293 29 29 GLU H H 7.997 0.020 1 294 29 29 GLU HA H 4.032 0.020 1 295 29 29 GLU HB2 H 2.208 0.020 2 296 29 29 GLU HB3 H 2.010 0.020 2 297 29 29 GLU HG2 H 2.535 0.020 1 298 29 29 GLU HG3 H 2.535 0.020 1 299 29 29 GLU C C 179.581 0.3 1 300 29 29 GLU CA C 59.227 0.3 1 301 29 29 GLU CB C 29.375 0.3 1 302 29 29 GLU CG C 36.357 0.3 1 303 29 29 GLU N N 117.648 0.3 1 304 30 30 ALA H H 8.130 0.020 1 305 30 30 ALA HA H 4.035 0.020 1 306 30 30 ALA HB H 1.451 0.020 1 307 30 30 ALA C C 178.929 0.3 1 308 30 30 ALA CA C 54.885 0.3 1 309 30 30 ALA CB C 18.860 0.3 1 310 30 30 ALA N N 122.857 0.3 1 311 31 31 LEU H H 8.473 0.020 1 312 31 31 LEU HA H 4.036 0.020 1 313 31 31 LEU HB2 H 2.003 0.020 2 314 31 31 LEU HB3 H 1.499 0.020 2 315 31 31 LEU HG H 1.826 0.020 1 316 31 31 LEU HD1 H 0.854 0.020 2 317 31 31 LEU HD2 H 0.918 0.020 2 318 31 31 LEU C C 180.550 0.3 1 319 31 31 LEU CA C 57.959 0.3 1 320 31 31 LEU CB C 41.427 0.3 1 321 31 31 LEU CG C 26.701 0.3 1 322 31 31 LEU CD1 C 25.811 0.3 1 323 31 31 LEU CD2 C 23.264 0.3 1 324 31 31 LEU N N 119.072 0.3 1 325 32 32 VAL H H 7.791 0.020 1 326 32 32 VAL HA H 3.798 0.020 1 327 32 32 VAL HB H 2.194 0.020 1 328 32 32 VAL HG1 H 1.104 0.020 2 329 32 32 VAL HG2 H 0.988 0.020 2 330 32 32 VAL C C 178.620 0.3 1 331 32 32 VAL CA C 66.448 0.3 1 332 32 32 VAL CB C 31.682 0.3 1 333 32 32 VAL CG1 C 22.889 0.3 1 334 32 32 VAL CG2 C 21.228 0.3 1 335 32 32 VAL N N 121.061 0.3 1 336 33 33 GLU H H 7.813 0.020 1 337 33 33 GLU HA H 4.103 0.020 1 338 33 33 GLU HB2 H 2.100 0.020 2 339 33 33 GLU HB3 H 2.194 0.020 2 340 33 33 GLU HG2 H 2.349 0.020 1 341 33 33 GLU HG3 H 2.349 0.020 1 342 33 33 GLU C C 179.573 0.3 1 343 33 33 GLU CA C 59.535 0.3 1 344 33 33 GLU CB C 29.051 0.3 1 345 33 33 GLU CG C 36.326 0.3 1 346 33 33 GLU N N 121.052 0.3 1 347 34 34 GLN H H 8.859 0.020 1 348 34 34 GLN HA H 3.746 0.020 1 349 34 34 GLN HB2 H 2.406 0.020 2 350 34 34 GLN HB3 H 1.874 0.020 2 351 34 34 GLN HG2 H 2.582 0.020 2 352 34 34 GLN HG3 H 2.250 0.020 2 353 34 34 GLN HE21 H 7.610 0.020 1 354 34 34 GLN HE22 H 6.762 0.020 1 355 34 34 GLN C C 178.367 0.3 1 356 34 34 GLN CA C 60.016 0.3 1 357 34 34 GLN CB C 28.432 0.3 1 358 34 34 GLN CG C 33.712 0.3 1 359 34 34 GLN N N 122.944 0.3 1 360 34 34 GLN NE2 N 110.847 0.3 1 361 35 35 GLU H H 7.857 0.020 1 362 35 35 GLU HA H 3.997 0.020 1 363 35 35 GLU HB2 H 2.214 0.020 1 364 35 35 GLU HB3 H 2.214 0.020 1 365 35 35 GLU HG2 H 2.476 0.020 2 366 35 35 GLU HG3 H 2.303 0.020 2 367 35 35 GLU C C 178.285 0.3 1 368 35 35 GLU CA C 59.248 0.3 1 369 35 35 GLU CB C 29.333 0.3 1 370 35 35 GLU CG C 36.090 0.3 1 371 35 35 GLU N N 119.966 0.3 1 372 36 36 LYS H H 7.727 0.020 1 373 36 36 LYS HA H 4.233 0.020 1 374 36 36 LYS HB2 H 1.985 0.020 1 375 36 36 LYS HB3 H 1.985 0.020 1 376 36 36 LYS HG2 H 1.625 0.020 2 377 36 36 LYS HG3 H 1.478 0.020 2 378 36 36 LYS HD2 H 1.678 0.020 1 379 36 36 LYS HD3 H 1.678 0.020 1 380 36 36 LYS HE2 H 2.989 0.020 1 381 36 36 LYS HE3 H 2.989 0.020 1 382 36 36 LYS C C 178.631 0.3 1 383 36 36 LYS CA C 58.545 0.3 1 384 36 36 LYS CB C 33.572 0.3 1 385 36 36 LYS CG C 25.041 0.3 1 386 36 36 LYS CD C 29.038 0.3 1 387 36 36 LYS CE C 42.149 0.3 1 388 36 36 LYS N N 115.970 0.3 1 389 37 37 THR H H 8.237 0.020 1 390 37 37 THR HA H 4.488 0.020 1 391 37 37 THR HB H 4.286 0.020 1 392 37 37 THR HG2 H 1.322 0.020 1 393 37 37 THR C C 176.720 0.3 1 394 37 37 THR CA C 62.067 0.3 1 395 37 37 THR CB C 72.023 0.3 1 396 37 37 THR CG2 C 21.422 0.3 1 397 37 37 THR N N 106.463 0.3 1 398 38 38 GLY H H 8.762 0.020 1 399 38 38 GLY HA2 H 4.155 0.020 2 400 38 38 GLY HA3 H 3.855 0.020 2 401 38 38 GLY C C 174.142 0.3 1 402 38 38 GLY CA C 45.684 0.3 1 403 38 38 GLY N N 112.230 0.3 1 404 39 39 ASP H H 7.565 0.020 1 405 39 39 ASP HA H 4.628 0.020 1 406 39 39 ASP HB2 H 2.536 0.020 1 407 39 39 ASP HB3 H 2.536 0.020 1 408 39 39 ASP C C 174.951 0.3 1 409 39 39 ASP CA C 53.404 0.3 1 410 39 39 ASP CB C 41.724 0.3 1 411 39 39 ASP N N 119.668 0.3 1 412 40 40 LEU H H 8.580 0.020 1 413 40 40 LEU HA H 4.218 0.020 1 414 40 40 LEU HB2 H 1.794 0.020 2 415 40 40 LEU HB3 H 1.481 0.020 2 416 40 40 LEU HG H 1.604 0.020 1 417 40 40 LEU HD1 H 0.835 0.020 2 418 40 40 LEU HD2 H 0.891 0.020 2 419 40 40 LEU C C 178.812 0.3 1 420 40 40 LEU CA C 54.764 0.3 1 421 40 40 LEU CB C 42.500 0.3 1 422 40 40 LEU CG C 26.573 0.3 1 423 40 40 LEU CD1 C 24.892 0.3 1 424 40 40 LEU CD2 C 23.039 0.3 1 425 40 40 LEU N N 119.731 0.3 1 426 41 41 LEU H H 8.838 0.020 1 427 41 41 LEU HA H 3.794 0.020 1 428 41 41 LEU HB2 H 1.624 0.020 1 429 41 41 LEU HB3 H 1.624 0.020 1 430 41 41 LEU HG H 1.589 0.020 1 431 41 41 LEU C C 178.822 0.3 1 432 41 41 LEU CA C 58.265 0.3 1 433 41 41 LEU CB C 41.877 0.3 1 434 41 41 LEU CG C 24.975 0.3 1 435 41 41 LEU CD1 C 24.765 0.3 1 436 41 41 LEU CD2 C 23.818 0.3 1 437 41 41 LEU N N 124.917 0.3 1 438 42 42 GLY H H 9.120 0.020 1 439 42 42 GLY HA2 H 3.429 0.020 1 440 42 42 GLY HA3 H 3.429 0.020 1 441 42 42 GLY C C 174.852 0.3 1 442 42 42 GLY CA C 48.186 0.3 1 443 42 42 GLY N N 103.370 0.3 1 444 43 43 ARG H H 6.651 0.020 1 445 43 43 ARG HA H 4.040 0.020 1 446 43 43 ARG HB2 H 1.935 0.020 1 447 43 43 ARG HB3 H 1.935 0.020 1 448 43 43 ARG HG2 H 1.690 0.020 1 449 43 43 ARG HG3 H 1.690 0.020 1 450 43 43 ARG HD2 H 3.324 0.020 1 451 43 43 ARG HD3 H 3.324 0.020 1 452 43 43 ARG C C 179.169 0.3 1 453 43 43 ARG CA C 58.749 0.3 1 454 43 43 ARG CB C 30.001 0.3 1 455 43 43 ARG CG C 27.255 0.3 1 456 43 43 ARG CD C 43.367 0.3 1 457 43 43 ARG N N 117.449 0.3 1 458 44 44 ILE H H 7.664 0.020 1 459 44 44 ILE HA H 3.529 0.020 1 460 44 44 ILE HB H 1.887 0.020 1 461 44 44 ILE HG12 H 0.969 0.020 1 462 44 44 ILE HG13 H 0.969 0.020 1 463 44 44 ILE HG2 H 0.898 0.020 1 464 44 44 ILE HD1 H 0.716 0.020 1 465 44 44 ILE C C 177.967 0.3 1 466 44 44 ILE CA C 65.186 0.3 1 467 44 44 ILE CB C 38.437 0.3 1 468 44 44 ILE CG1 C 28.421 0.3 1 469 44 44 ILE CG2 C 17.685 0.3 1 470 44 44 ILE CD1 C 14.005 0.3 1 471 44 44 ILE N N 120.696 0.3 1 472 45 45 LEU H H 8.411 0.020 1 473 45 45 LEU HA H 3.870 0.020 1 474 45 45 LEU HB2 H 1.871 0.020 2 475 45 45 LEU HB3 H 1.295 0.020 2 476 45 45 LEU HG H 1.740 0.020 1 477 45 45 LEU HD1 H 0.928 0.020 2 478 45 45 LEU HD2 H 0.735 0.020 2 479 45 45 LEU C C 179.825 0.3 1 480 45 45 LEU CA C 58.000 0.3 1 481 45 45 LEU CB C 41.404 0.3 1 482 45 45 LEU CG C 26.517 0.3 1 483 45 45 LEU CD1 C 25.130 0.3 1 484 45 45 LEU CD2 C 22.934 0.3 1 485 45 45 LEU N N 116.651 0.3 1 486 46 46 VAL H H 7.864 0.020 1 487 46 46 VAL HA H 4.674 0.020 1 488 46 46 VAL HB H 2.137 0.020 1 489 46 46 VAL HG1 H 1.117 0.020 2 490 46 46 VAL HG2 H 1.042 0.020 2 491 46 46 VAL C C 180.449 0.3 1 492 46 46 VAL CA C 64.949 0.3 1 493 46 46 VAL CB C 32.092 0.3 1 494 46 46 VAL CG1 C 23.258 0.3 1 495 46 46 VAL CG2 C 20.982 0.3 1 496 46 46 VAL N N 120.309 0.3 1 497 47 47 ARG H H 7.898 0.020 1 498 47 47 ARG HA H 4.155 0.020 1 499 47 47 ARG HB2 H 2.092 0.020 2 500 47 47 ARG HB3 H 1.976 0.020 2 501 47 47 ARG HG2 H 1.839 0.020 2 502 47 47 ARG HG3 H 1.703 0.020 2 503 47 47 ARG C C 178.434 0.3 1 504 47 47 ARG CA C 59.496 0.3 1 505 47 47 ARG CB C 29.845 0.3 1 506 47 47 ARG CG C 27.931 0.3 1 507 47 47 ARG CD C 43.982 0.3 1 508 47 47 ARG N N 122.342 0.3 1 509 48 48 LYS H H 7.640 0.020 1 510 48 48 LYS HA H 4.320 0.020 1 511 48 48 LYS HB2 H 1.805 0.020 2 512 48 48 LYS HB3 H 2.221 0.020 2 513 48 48 LYS HG2 H 1.526 0.020 1 514 48 48 LYS HG3 H 1.526 0.020 1 515 48 48 LYS HD2 H 1.631 0.020 1 516 48 48 LYS HD3 H 1.631 0.020 1 517 48 48 LYS HE2 H 2.923 0.020 1 518 48 48 LYS HE3 H 2.923 0.020 1 519 48 48 LYS C C 176.491 0.3 1 520 48 48 LYS CA C 56.366 0.3 1 521 48 48 LYS CB C 32.274 0.3 1 522 48 48 LYS CG C 24.867 0.3 1 523 48 48 LYS CD C 28.669 0.3 1 524 48 48 LYS CE C 41.768 0.3 1 525 48 48 LYS N N 116.454 0.3 1 526 49 49 GLY H H 7.628 0.020 1 527 49 49 GLY HA2 H 3.645 0.020 2 528 49 49 GLY HA3 H 4.551 0.020 2 529 49 49 GLY C C 174.466 0.3 1 530 49 49 GLY CA C 45.178 0.3 1 531 49 49 GLY N N 106.188 0.3 1 532 50 50 LEU H H 8.160 0.020 1 533 50 50 LEU HA H 4.382 0.020 1 534 50 50 LEU HB2 H 1.358 0.020 2 535 50 50 LEU HB3 H 1.174 0.020 2 536 50 50 LEU HG H 1.338 0.020 1 537 50 50 LEU HD1 H 0.546 0.020 2 538 50 50 LEU HD2 H 0.482 0.020 2 539 50 50 LEU C C 174.715 0.3 1 540 50 50 LEU CA C 53.031 0.3 1 541 50 50 LEU CB C 43.017 0.3 1 542 50 50 LEU CG C 26.533 0.3 1 543 50 50 LEU CD1 C 24.702 0.3 1 544 50 50 LEU CD2 C 24.678 0.3 1 545 50 50 LEU N N 126.621 0.3 1 546 51 51 PRO HA H 4.438 0.020 1 547 51 51 PRO HB2 H 2.500 0.020 2 548 51 51 PRO HB3 H 1.708 0.020 2 549 51 51 PRO HG2 H 2.035 0.020 1 550 51 51 PRO HG3 H 2.035 0.020 1 551 51 51 PRO HD2 H 4.261 0.020 2 552 51 51 PRO HD3 H 3.372 0.020 2 553 51 51 PRO C C 178.305 0.3 1 554 51 51 PRO CA C 63.009 0.3 1 555 51 51 PRO CB C 32.344 0.3 1 556 51 51 PRO CG C 28.141 0.3 1 557 51 51 PRO CD C 51.116 0.3 1 558 52 52 GLU H H 9.037 0.020 1 559 52 52 GLU HA H 3.874 0.020 1 560 52 52 GLU HB2 H 2.085 0.020 1 561 52 52 GLU HB3 H 2.085 0.020 1 562 52 52 GLU HG2 H 2.349 0.020 1 563 52 52 GLU HG3 H 2.349 0.020 1 564 52 52 GLU C C 178.390 0.3 1 565 52 52 GLU CA C 60.283 0.3 1 566 52 52 GLU CB C 29.792 0.3 1 567 52 52 GLU CG C 37.482 0.3 1 568 52 52 GLU N N 126.556 0.3 1 569 53 53 GLU H H 9.289 0.020 1 570 53 53 GLU HA H 3.874 0.020 1 571 53 53 GLU HB2 H 2.153 0.020 2 572 53 53 GLU HB3 H 1.921 0.020 2 573 53 53 GLU HG2 H 2.337 0.020 2 574 53 53 GLU HG3 H 2.201 0.020 2 575 53 53 GLU C C 177.166 0.3 1 576 53 53 GLU CA C 60.314 0.3 1 577 53 53 GLU CB C 29.161 0.3 1 578 53 53 GLU CG C 36.541 0.3 1 579 53 53 GLU N N 116.478 0.3 1 580 54 54 ALA H H 6.768 0.020 1 581 54 54 ALA HA H 3.551 0.020 1 582 54 54 ALA HB H 0.824 0.020 1 583 54 54 ALA C C 179.183 0.3 1 584 54 54 ALA CA C 54.466 0.3 1 585 54 54 ALA CB C 17.535 0.3 1 586 54 54 ALA N N 119.833 0.3 1 587 55 55 LEU H H 7.230 0.020 1 588 55 55 LEU HA H 3.863 0.020 1 589 55 55 LEU HB2 H 2.183 0.020 2 590 55 55 LEU HB3 H 1.344 0.020 2 591 55 55 LEU HG H 1.366 0.020 1 592 55 55 LEU HD1 H 0.875 0.020 2 593 55 55 LEU HD2 H 0.829 0.020 2 594 55 55 LEU C C 178.044 0.3 1 595 55 55 LEU CA C 58.236 0.3 1 596 55 55 LEU CB C 40.876 0.3 1 597 55 55 LEU CG C 26.980 0.3 1 598 55 55 LEU CD1 C 25.518 0.3 1 599 55 55 LEU CD2 C 23.900 0.3 1 600 55 55 LEU N N 116.451 0.3 1 601 56 56 TYR H H 8.392 0.020 1 602 56 56 TYR HA H 3.843 0.020 1 603 56 56 TYR HB2 H 2.916 0.020 2 604 56 56 TYR HB3 H 2.637 0.020 2 605 56 56 TYR HD1 H 7.107 0.020 1 606 56 56 TYR HD2 H 7.107 0.020 1 607 56 56 TYR HE1 H 6.973 0.020 1 608 56 56 TYR HE2 H 6.973 0.020 1 609 56 56 TYR C C 177.860 0.3 1 610 56 56 TYR CA C 62.894 0.3 1 611 56 56 TYR CB C 38.603 0.3 1 612 56 56 TYR CD1 C 131.765 0.3 1 613 56 56 TYR CD2 C 131.765 0.3 1 614 56 56 TYR CE1 C 118.038 0.3 1 615 56 56 TYR CE2 C 118.038 0.3 1 616 56 56 TYR N N 117.430 0.3 1 617 57 57 ARG H H 8.048 0.020 1 618 57 57 ARG HA H 3.551 0.020 1 619 57 57 ARG HB2 H 1.737 0.020 1 620 57 57 ARG HB3 H 1.737 0.020 1 621 57 57 ARG HG2 H 1.271 0.020 2 622 57 57 ARG HG3 H 1.072 0.020 2 623 57 57 ARG HD2 H 3.168 0.020 2 624 57 57 ARG HD3 H 2.855 0.020 2 625 57 57 ARG C C 179.701 0.3 1 626 57 57 ARG CA C 60.501 0.3 1 627 57 57 ARG CB C 29.980 0.3 1 628 57 57 ARG CG C 29.058 0.3 1 629 57 57 ARG CD C 43.389 0.3 1 630 57 57 ARG N N 119.423 0.3 1 631 58 58 ALA H H 7.876 0.020 1 632 58 58 ALA HA H 4.102 0.020 1 633 58 58 ALA HB H 1.451 0.020 1 634 58 58 ALA C C 178.571 0.3 1 635 58 58 ALA CA C 55.333 0.3 1 636 58 58 ALA CB C 18.301 0.3 1 637 58 58 ALA N N 122.390 0.3 1 638 59 59 LEU H H 8.613 0.020 1 639 59 59 LEU HA H 3.894 0.020 1 640 59 59 LEU HB2 H 1.620 0.020 2 641 59 59 LEU HB3 H 1.095 0.020 2 642 59 59 LEU HG H 1.539 0.020 1 643 59 59 LEU HD1 H 0.729 0.020 2 644 59 59 LEU HD2 H 0.455 0.020 2 645 59 59 LEU C C 179.147 0.3 1 646 59 59 LEU CA C 57.603 0.3 1 647 59 59 LEU CB C 42.888 0.3 1 648 59 59 LEU CG C 26.412 0.3 1 649 59 59 LEU CD1 C 23.897 0.3 1 650 59 59 LEU CD2 C 24.598 0.3 1 651 59 59 LEU N N 118.836 0.3 1 652 60 60 ALA H H 8.283 0.020 1 653 60 60 ALA HA H 3.802 0.020 1 654 60 60 ALA HB H 1.615 0.020 1 655 60 60 ALA C C 179.102 0.3 1 656 60 60 ALA CA C 55.785 0.3 1 657 60 60 ALA CB C 17.754 0.3 1 658 60 60 ALA N N 119.623 0.3 1 659 61 61 GLU H H 7.638 0.020 1 660 61 61 GLU HA H 4.096 0.020 1 661 61 61 GLU HB2 H 2.214 0.020 2 662 61 61 GLU HB3 H 2.098 0.020 2 663 61 61 GLU HG2 H 2.465 0.020 1 664 61 61 GLU HG3 H 2.465 0.020 1 665 61 61 GLU C C 179.763 0.3 1 666 61 61 GLU CA C 59.321 0.3 1 667 61 61 GLU CB C 29.555 0.3 1 668 61 61 GLU CG C 36.049 0.3 1 669 61 61 GLU N N 118.162 0.3 1 670 62 62 GLN H H 8.530 0.020 1 671 62 62 GLN HA H 3.948 0.020 1 672 62 62 GLN HB2 H 2.207 0.020 2 673 62 62 GLN HB3 H 2.043 0.020 2 674 62 62 GLN HG2 H 2.370 0.020 1 675 62 62 GLN HG3 H 2.370 0.020 1 676 62 62 GLN HE21 H 7.293 0.020 1 677 62 62 GLN HE22 H 6.982 0.020 1 678 62 62 GLN C C 177.731 0.3 1 679 62 62 GLN CA C 59.011 0.3 1 680 62 62 GLN CB C 29.327 0.3 1 681 62 62 GLN CG C 33.864 0.3 1 682 62 62 GLN N N 118.886 0.3 1 683 62 62 GLN NE2 N 112.692 0.3 1 684 63 63 LYS H H 7.721 0.020 1 685 63 63 LYS HA H 4.450 0.020 1 686 63 63 LYS HB2 H 1.649 0.020 2 687 63 63 LYS HB3 H 1.955 0.020 2 688 63 63 LYS HG2 H 1.524 0.020 1 689 63 63 LYS HG3 H 1.524 0.020 1 690 63 63 LYS HD2 H 1.677 0.020 1 691 63 63 LYS HD3 H 1.677 0.020 1 692 63 63 LYS HE2 H 2.994 0.020 1 693 63 63 LYS HE3 H 2.994 0.020 1 694 63 63 LYS C C 176.196 0.3 1 695 63 63 LYS CA C 54.091 0.3 1 696 63 63 LYS CB C 32.519 0.3 1 697 63 63 LYS CG C 25.058 0.3 1 698 63 63 LYS CD C 29.071 0.3 1 699 63 63 LYS CE C 42.241 0.3 1 700 63 63 LYS N N 113.515 0.3 1 701 64 64 GLY H H 7.794 0.020 1 702 64 64 GLY HA2 H 3.974 0.020 1 703 64 64 GLY HA3 H 3.974 0.020 1 704 64 64 GLY C C 174.528 0.3 1 705 64 64 GLY CA C 47.004 0.3 1 706 64 64 GLY N N 109.741 0.3 1 707 65 65 LEU H H 8.593 0.020 1 708 65 65 LEU HA H 4.713 0.020 1 709 65 65 LEU HB2 H 1.499 0.020 2 710 65 65 LEU HB3 H 1.431 0.020 2 711 65 65 LEU HG H 1.594 0.020 1 712 65 65 LEU HD1 H 0.951 0.020 2 713 65 65 LEU HD2 H 0.831 0.020 2 714 65 65 LEU C C 175.497 0.3 1 715 65 65 LEU CA C 52.992 0.3 1 716 65 65 LEU CB C 44.185 0.3 1 717 65 65 LEU CG C 27.154 0.3 1 718 65 65 LEU CD1 C 25.514 0.3 1 719 65 65 LEU CD2 C 24.856 0.3 1 720 65 65 LEU N N 119.470 0.3 1 721 66 66 GLU H H 7.600 0.020 1 722 66 66 GLU HA H 4.505 0.020 1 723 66 66 GLU HB2 H 1.955 0.020 2 724 66 66 GLU HB3 H 1.746 0.020 2 725 66 66 GLU HG2 H 2.214 0.020 1 726 66 66 GLU HG3 H 2.214 0.020 1 727 66 66 GLU C C 175.709 0.3 1 728 66 66 GLU CA C 55.983 0.3 1 729 66 66 GLU CB C 31.100 0.3 1 730 66 66 GLU CG C 36.118 0.3 1 731 66 66 GLU N N 120.319 0.3 1 732 67 67 PHE H H 8.967 0.020 1 733 67 67 PHE HA H 5.110 0.020 1 734 67 67 PHE HB2 H 2.991 0.020 2 735 67 67 PHE HB3 H 3.052 0.020 2 736 67 67 PHE HD1 H 7.073 0.020 1 737 67 67 PHE HD2 H 7.073 0.020 1 738 67 67 PHE HE1 H 7.172 0.020 1 739 67 67 PHE HE2 H 7.172 0.020 1 740 67 67 PHE C C 174.351 0.3 1 741 67 67 PHE CA C 57.417 0.3 1 742 67 67 PHE CB C 40.565 0.3 1 743 67 67 PHE CD1 C 131.042 0.3 1 744 67 67 PHE CD2 C 131.042 0.3 1 745 67 67 PHE CE1 C 131.352 0.3 1 746 67 67 PHE CE2 C 131.352 0.3 1 747 67 67 PHE N N 126.117 0.3 1 748 68 68 LEU H H 8.409 0.020 1 749 68 68 LEU HA H 4.398 0.020 1 750 68 68 LEU HB2 H 1.363 0.020 2 751 68 68 LEU HB3 H 1.184 0.020 2 752 68 68 LEU HG H 1.333 0.020 1 753 68 68 LEU HD1 H 0.544 0.020 2 754 68 68 LEU HD2 H 0.478 0.020 2 755 68 68 LEU C C 173.519 0.3 1 756 68 68 LEU CA C 53.017 0.3 1 757 68 68 LEU CB C 42.886 0.3 1 758 68 68 LEU CG C 26.499 0.3 1 759 68 68 LEU CD1 C 24.616 0.3 1 760 68 68 LEU CD2 C 24.806 0.3 1 761 68 68 LEU N N 130.952 0.3 1 762 69 69 GLU H H 8.229 0.020 1 763 69 69 GLU HA H 3.761 0.020 1 764 69 69 GLU HB2 H 2.039 0.020 1 765 69 69 GLU HB3 H 2.039 0.020 1 766 69 69 GLU HG2 H 2.344 0.020 1 767 69 69 GLU HG3 H 2.344 0.020 1 768 69 69 GLU C C 176.304 0.3 1 769 69 69 GLU CA C 57.998 0.3 1 770 69 69 GLU CB C 30.089 0.3 1 771 69 69 GLU CG C 36.120 0.3 1 772 69 69 GLU N N 122.724 0.3 1 773 70 70 SER H H 7.409 0.020 1 774 70 70 SER HA H 4.663 0.020 1 775 70 70 SER HB2 H 3.919 0.020 2 776 70 70 SER HB3 H 3.597 0.020 2 777 70 70 SER C C 174.457 0.3 1 778 70 70 SER CA C 56.013 0.3 1 779 70 70 SER CB C 64.636 0.3 1 780 70 70 SER N N 109.673 0.3 1 781 71 71 THR H H 8.703 0.020 1 782 71 71 THR HA H 4.319 0.020 1 783 71 71 THR HB H 4.404 0.020 1 784 71 71 THR HG2 H 0.918 0.020 1 785 71 71 THR C C 175.330 0.3 1 786 71 71 THR CA C 60.852 0.3 1 787 71 71 THR CB C 68.811 0.3 1 788 71 71 THR CG2 C 21.567 0.3 1 789 71 71 THR N N 112.594 0.3 1 790 72 72 GLU H H 8.217 0.020 1 791 72 72 GLU HA H 4.008 0.020 1 792 72 72 GLU HB2 H 1.921 0.020 1 793 72 72 GLU HB3 H 1.921 0.020 1 794 72 72 GLU HG2 H 2.235 0.020 1 795 72 72 GLU HG3 H 2.235 0.020 1 796 72 72 GLU C C 177.315 0.3 1 797 72 72 GLU CA C 58.728 0.3 1 798 72 72 GLU CB C 29.360 0.3 1 799 72 72 GLU CG C 35.987 0.3 1 800 72 72 GLU N N 124.323 0.3 1 801 73 73 GLY H H 8.618 0.020 1 802 73 73 GLY HA2 H 3.829 0.020 1 803 73 73 GLY HA3 H 3.829 0.020 1 804 73 73 GLY C C 174.079 0.3 1 805 73 73 GLY CA C 44.882 0.3 1 806 73 73 GLY N N 109.314 0.3 1 807 74 74 ILE H H 7.174 0.020 1 808 74 74 ILE HA H 3.863 0.020 1 809 74 74 ILE HB H 1.662 0.020 1 810 74 74 ILE HG12 H 1.303 0.020 2 811 74 74 ILE HG13 H 0.898 0.020 2 812 74 74 ILE HG2 H 0.539 0.020 1 813 74 74 ILE HD1 H 0.620 0.020 1 814 74 74 ILE C C 175.410 0.3 1 815 74 74 ILE CA C 61.251 0.3 1 816 74 74 ILE CB C 37.895 0.3 1 817 74 74 ILE CG1 C 27.070 0.3 1 818 74 74 ILE CG2 C 16.985 0.3 1 819 74 74 ILE CD1 C 13.247 0.3 1 820 74 74 ILE N N 119.817 0.3 1 821 75 75 VAL H H 8.648 0.020 1 822 75 75 VAL HA H 4.320 0.020 1 823 75 75 VAL HB H 2.016 0.020 1 824 75 75 VAL HG2 H 0.850 0.020 1 825 75 75 VAL C C 174.056 0.3 1 826 75 75 VAL CA C 59.249 0.3 1 827 75 75 VAL CB C 32.182 0.3 1 828 75 75 VAL CG2 C 20.470 0.3 1 829 75 75 VAL N N 131.513 0.3 1 830 76 76 PRO HA H 4.291 0.020 1 831 76 76 PRO HB2 H 2.044 0.020 2 832 76 76 PRO HB3 H 1.867 0.020 2 833 76 76 PRO HG2 H 1.435 0.020 1 834 76 76 PRO HG3 H 1.435 0.020 1 835 76 76 PRO HD2 H 3.728 0.020 2 836 76 76 PRO HD3 H 3.631 0.020 2 837 76 76 PRO C C 175.135 0.3 1 838 76 76 PRO CA C 62.645 0.3 1 839 76 76 PRO CB C 31.494 0.3 1 840 76 76 PRO CG C 27.285 0.3 1 841 76 76 PRO CD C 50.545 0.3 1 842 77 77 ASP H H 8.018 0.020 1 843 77 77 ASP HA H 4.898 0.020 1 844 77 77 ASP HB2 H 2.885 0.020 2 845 77 77 ASP HB3 H 2.724 0.020 2 846 77 77 ASP C C 176.441 0.3 1 847 77 77 ASP CA C 51.199 0.3 1 848 77 77 ASP CB C 42.533 0.3 1 849 77 77 ASP N N 125.191 0.3 1 850 78 78 PRO HA H 4.380 0.020 1 851 78 78 PRO HB2 H 2.393 0.020 2 852 78 78 PRO HB3 H 1.989 0.020 2 853 78 78 PRO HG2 H 2.114 0.020 2 854 78 78 PRO HG3 H 2.030 0.020 2 855 78 78 PRO HD2 H 4.201 0.020 2 856 78 78 PRO HD3 H 4.001 0.020 2 857 78 78 PRO C C 178.989 0.3 1 858 78 78 PRO CA C 64.810 0.3 1 859 78 78 PRO CB C 32.238 0.3 1 860 78 78 PRO CG C 27.316 0.3 1 861 78 78 PRO CD C 51.485 0.3 1 862 79 79 SER H H 8.595 0.020 1 863 79 79 SER HA H 4.272 0.020 1 864 79 79 SER HB2 H 4.068 0.020 2 865 79 79 SER HB3 H 3.965 0.020 2 866 79 79 SER C C 175.810 0.3 1 867 79 79 SER CA C 61.309 0.3 1 868 79 79 SER CB C 62.837 0.3 1 869 79 79 SER N N 113.185 0.3 1 870 80 80 ALA H H 7.617 0.020 1 871 80 80 ALA HA H 4.181 0.020 1 872 80 80 ALA HB H 0.728 0.020 1 873 80 80 ALA C C 178.280 0.3 1 874 80 80 ALA CA C 53.089 0.3 1 875 80 80 ALA CB C 17.771 0.3 1 876 80 80 ALA N N 123.105 0.3 1 877 81 81 ALA H H 7.177 0.020 1 878 81 81 ALA HA H 3.971 0.020 1 879 81 81 ALA HB H 1.097 0.020 1 880 81 81 ALA C C 178.851 0.3 1 881 81 81 ALA CA C 54.704 0.3 1 882 81 81 ALA CB C 17.253 0.3 1 883 81 81 ALA N N 120.004 0.3 1 884 82 82 LEU H H 6.981 0.020 1 885 82 82 LEU HA H 4.313 0.020 1 886 82 82 LEU HB2 H 1.779 0.020 2 887 82 82 LEU HB3 H 1.657 0.020 2 888 82 82 LEU HG H 1.894 0.020 1 889 82 82 LEU HD1 H 0.725 0.020 2 890 82 82 LEU HD2 H 0.951 0.020 2 891 82 82 LEU C C 177.907 0.3 1 892 82 82 LEU CA C 55.971 0.3 1 893 82 82 LEU CB C 42.149 0.3 1 894 82 82 LEU CG C 26.580 0.3 1 895 82 82 LEU CD1 C 27.206 0.3 1 896 82 82 LEU CD2 C 23.811 0.3 1 897 82 82 LEU N N 112.466 0.3 1 898 83 83 LEU H H 7.641 0.020 1 899 83 83 LEU HA H 4.126 0.020 1 900 83 83 LEU HB2 H 1.839 0.020 2 901 83 83 LEU HB3 H 1.533 0.020 2 902 83 83 LEU HG H 2.014 0.020 1 903 83 83 LEU HD1 H 0.974 0.020 2 904 83 83 LEU HD2 H 0.979 0.020 2 905 83 83 LEU C C 176.817 0.3 1 906 83 83 LEU CA C 56.483 0.3 1 907 83 83 LEU CB C 42.150 0.3 1 908 83 83 LEU CG C 27.009 0.3 1 909 83 83 LEU CD1 C 22.366 0.3 1 910 83 83 LEU CD2 C 22.270 0.3 1 911 83 83 LEU N N 116.818 0.3 1 912 84 84 LEU H H 7.454 0.020 1 913 84 84 LEU HA H 4.886 0.020 1 914 84 84 LEU HB2 H 1.658 0.020 2 915 84 84 LEU HB3 H 1.530 0.020 2 916 84 84 LEU HG H 1.604 0.020 1 917 84 84 LEU HD1 H 0.896 0.020 2 918 84 84 LEU HD2 H 0.834 0.020 2 919 84 84 LEU C C 175.942 0.3 1 920 84 84 LEU CA C 53.278 0.3 1 921 84 84 LEU CB C 45.923 0.3 1 922 84 84 LEU CG C 27.132 0.3 1 923 84 84 LEU CD1 C 25.930 0.3 1 924 84 84 LEU CD2 C 25.036 0.3 1 925 84 84 LEU N N 116.583 0.3 1 926 85 85 LEU H H 9.293 0.020 1 927 85 85 LEU HA H 4.381 0.020 1 928 85 85 LEU HB2 H 1.727 0.020 1 929 85 85 LEU HB3 H 1.727 0.020 1 930 85 85 LEU HG H 1.957 0.020 1 931 85 85 LEU HD1 H 1.007 0.020 2 932 85 85 LEU HD2 H 1.021 0.020 2 933 85 85 LEU C C 179.002 0.3 1 934 85 85 LEU CA C 55.049 0.3 1 935 85 85 LEU CB C 42.649 0.3 1 936 85 85 LEU CG C 27.068 0.3 1 937 85 85 LEU CD1 C 25.273 0.3 1 938 85 85 LEU CD2 C 23.012 0.3 1 939 85 85 LEU N N 123.544 0.3 1 940 86 86 ARG H H 8.918 0.020 1 941 86 86 ARG HA H 3.110 0.020 1 942 86 86 ARG HB2 H 1.737 0.020 1 943 86 86 ARG HB3 H 1.737 0.020 1 944 86 86 ARG HG2 H 1.306 0.020 1 945 86 86 ARG HG3 H 1.306 0.020 1 946 86 86 ARG C C 177.283 0.3 1 947 86 86 ARG CA C 59.808 0.3 1 948 86 86 ARG CB C 29.934 0.3 1 949 86 86 ARG CG C 27.517 0.3 1 950 86 86 ARG CD C 43.490 0.3 1 951 86 86 ARG N N 124.378 0.3 1 952 87 87 SER H H 8.089 0.020 1 953 87 87 SER HA H 4.061 0.020 1 954 87 87 SER HB2 H 3.879 0.020 1 955 87 87 SER HB3 H 3.879 0.020 1 956 87 87 SER C C 177.557 0.3 1 957 87 87 SER CA C 61.014 0.3 1 958 87 87 SER CB C 61.993 0.3 1 959 87 87 SER N N 108.819 0.3 1 960 88 88 ASP H H 7.069 0.020 1 961 88 88 ASP HA H 4.689 0.020 1 962 88 88 ASP HB2 H 2.896 0.020 2 963 88 88 ASP HB3 H 2.589 0.020 2 964 88 88 ASP C C 176.973 0.3 1 965 88 88 ASP CA C 57.455 0.3 1 966 88 88 ASP CB C 41.362 0.3 1 967 88 88 ASP N N 123.900 0.3 1 968 89 89 ALA H H 8.513 0.020 1 969 89 89 ALA HA H 4.483 0.020 1 970 89 89 ALA HB H 1.633 0.020 1 971 89 89 ALA C C 180.386 0.3 1 972 89 89 ALA CA C 56.165 0.3 1 973 89 89 ALA CB C 18.760 0.3 1 974 89 89 ALA N N 125.221 0.3 1 975 90 90 LEU H H 7.969 0.020 1 976 90 90 LEU HA H 3.929 0.020 1 977 90 90 LEU HB2 H 1.601 0.020 1 978 90 90 LEU HB3 H 1.601 0.020 1 979 90 90 LEU HG H 1.451 0.020 1 980 90 90 LEU HD1 H 0.842 0.020 2 981 90 90 LEU HD2 H 0.711 0.020 2 982 90 90 LEU C C 179.394 0.3 1 983 90 90 LEU CA C 57.459 0.3 1 984 90 90 LEU CB C 42.500 0.3 1 985 90 90 LEU CG C 26.788 0.3 1 986 90 90 LEU CD1 C 25.304 0.3 1 987 90 90 LEU CD2 C 23.934 0.3 1 988 90 90 LEU N N 114.275 0.3 1 989 91 91 ARG H H 7.664 0.020 1 990 91 91 ARG HA H 3.779 0.020 1 991 91 91 ARG HB2 H 1.737 0.020 2 992 91 91 ARG HB3 H 1.401 0.020 2 993 91 91 ARG HG2 H 0.896 0.020 1 994 91 91 ARG HG3 H 0.896 0.020 1 995 91 91 ARG HD2 H 2.767 0.020 1 996 91 91 ARG HD3 H 2.767 0.020 1 997 91 91 ARG C C 177.692 0.3 1 998 91 91 ARG CA C 58.859 0.3 1 999 91 91 ARG CB C 29.884 0.3 1 1000 91 91 ARG CG C 26.290 0.3 1 1001 91 91 ARG CD C 43.393 0.3 1 1002 91 91 ARG N N 119.242 0.3 1 1003 92 92 TYR H H 7.981 0.020 1 1004 92 92 TYR HA H 4.006 0.020 1 1005 92 92 TYR HB2 H 2.425 0.020 2 1006 92 92 TYR HB3 H 3.093 0.020 2 1007 92 92 TYR HD1 H 6.735 0.020 1 1008 92 92 TYR HD2 H 6.735 0.020 1 1009 92 92 TYR HE1 H 6.632 0.020 1 1010 92 92 TYR HE2 H 6.632 0.020 1 1011 92 92 TYR C C 174.259 0.3 1 1012 92 92 TYR CA C 56.732 0.3 1 1013 92 92 TYR CB C 38.309 0.3 1 1014 92 92 TYR CD1 C 132.114 0.3 1 1015 92 92 TYR CD2 C 132.114 0.3 1 1016 92 92 TYR CE1 C 117.915 0.3 1 1017 92 92 TYR CE2 C 117.915 0.3 1 1018 92 92 TYR N N 114.266 0.3 1 1019 93 93 GLY H H 7.254 0.020 1 1020 93 93 GLY HA2 H 3.341 0.020 1 1021 93 93 GLY HA3 H 3.341 0.020 1 1022 93 93 GLY C C 173.468 0.3 1 1023 93 93 GLY CA C 47.448 0.3 1 1024 93 93 GLY N N 110.308 0.3 1 1025 94 94 ALA H H 8.981 0.020 1 1026 94 94 ALA HA H 5.633 0.020 1 1027 94 94 ALA HB H 1.199 0.020 1 1028 94 94 ALA C C 174.456 0.3 1 1029 94 94 ALA CA C 50.330 0.3 1 1030 94 94 ALA CB C 24.904 0.3 1 1031 94 94 ALA N N 120.937 0.3 1 1032 95 95 VAL H H 8.989 0.020 1 1033 95 95 VAL HA H 5.012 0.020 1 1034 95 95 VAL HB H 1.919 0.020 1 1035 95 95 VAL HG1 H 0.768 0.020 2 1036 95 95 VAL HG2 H 0.620 0.020 2 1037 95 95 VAL C C 174.133 0.3 1 1038 95 95 VAL CA C 58.629 0.3 1 1039 95 95 VAL CB C 35.527 0.3 1 1040 95 95 VAL CG1 C 21.937 0.3 1 1041 95 95 VAL CG2 C 21.923 0.3 1 1042 95 95 VAL N N 116.975 0.3 1 1043 96 96 PRO HA H 5.099 0.020 1 1044 96 96 PRO HB2 H 1.758 0.020 2 1045 96 96 PRO HB3 H 1.669 0.020 2 1046 96 96 PRO HG2 H 2.276 0.020 2 1047 96 96 PRO HG3 H 1.582 0.020 2 1048 96 96 PRO HD2 H 4.179 0.020 2 1049 96 96 PRO HD3 H 3.983 0.020 2 1050 96 96 PRO C C 176.565 0.3 1 1051 96 96 PRO CA C 60.748 0.3 1 1052 96 96 PRO CB C 31.764 0.3 1 1053 96 96 PRO CG C 28.407 0.3 1 1054 96 96 PRO CD C 52.194 0.3 1 1055 97 97 ILE H H 8.533 0.020 1 1056 97 97 ILE HA H 4.524 0.020 1 1057 97 97 ILE HB H 1.730 0.020 1 1058 97 97 ILE HG12 H 1.184 0.020 2 1059 97 97 ILE HG13 H 0.650 0.020 2 1060 97 97 ILE HG2 H 0.769 0.020 1 1061 97 97 ILE HD1 H 0.460 0.020 1 1062 97 97 ILE C C 176.363 0.3 1 1063 97 97 ILE CA C 61.506 0.3 1 1064 97 97 ILE CB C 40.586 0.3 1 1065 97 97 ILE CG1 C 26.369 0.3 1 1066 97 97 ILE CG2 C 19.691 0.3 1 1067 97 97 ILE CD1 C 13.246 0.3 1 1068 97 97 ILE N N 112.507 0.3 1 1069 98 98 GLY H H 7.081 0.020 1 1070 98 98 GLY HA2 H 4.411 0.020 2 1071 98 98 GLY HA3 H 3.715 0.020 2 1072 98 98 GLY C C 169.51 0.3 1 1073 98 98 GLY CA C 45.345 0.3 1 1074 98 98 GLY N N 109.214 0.3 1 1075 99 99 PHE H H 8.838 0.020 1 1076 99 99 PHE HA H 5.509 0.020 1 1077 99 99 PHE HB2 H 2.821 0.020 1 1078 99 99 PHE HB3 H 2.821 0.020 1 1079 99 99 PHE HD1 H 7.029 0.020 1 1080 99 99 PHE HD2 H 7.029 0.020 1 1081 99 99 PHE C C 175.701 0.3 1 1082 99 99 PHE CA C 56.096 0.3 1 1083 99 99 PHE CB C 42.637 0.3 1 1084 99 99 PHE CD1 C 132.294 0.3 1 1085 99 99 PHE CD2 C 132.294 0.3 1 1086 99 99 PHE N N 118.086 0.3 1 1087 100 100 GLN H H 9.054 0.020 1 1088 100 100 GLN HA H 4.484 0.020 1 1089 100 100 GLN HB2 H 1.894 0.020 1 1090 100 100 GLN HB3 H 1.894 0.020 1 1091 100 100 GLN HG2 H 2.262 0.020 1 1092 100 100 GLN HG3 H 2.262 0.020 1 1093 100 100 GLN HE21 H 7.527 0.020 1 1094 100 100 GLN HE22 H 6.706 0.020 1 1095 100 100 GLN C C 175.763 0.3 1 1096 100 100 GLN CA C 55.116 0.3 1 1097 100 100 GLN CB C 31.494 0.3 1 1098 100 100 GLN CG C 33.958 0.3 1 1099 100 100 GLN N N 121.171 0.3 1 1100 100 100 GLN NE2 N 111.423 0.3 1 1101 101 101 ASN H H 9.456 0.020 1 1102 101 101 ASN HA H 4.370 0.020 1 1103 101 101 ASN HB2 H 3.093 0.020 2 1104 101 101 ASN HB3 H 2.773 0.020 2 1105 101 101 ASN HD21 H 7.598 0.020 1 1106 101 101 ASN HD22 H 6.815 0.020 1 1107 101 101 ASN C C 174.932 0.3 1 1108 101 101 ASN CA C 54.443 0.3 1 1109 101 101 ASN CB C 37.725 0.3 1 1110 101 101 ASN N N 125.634 0.3 1 1111 101 101 ASN ND2 N 112.930 0.3 1 1112 102 102 GLY H H 8.616 0.020 1 1113 102 102 GLY HA2 H 4.178 0.020 2 1114 102 102 GLY HA3 H 3.619 0.020 2 1115 102 102 GLY C C 174.079 0.3 1 1116 102 102 GLY CA C 45.305 0.3 1 1117 102 102 GLY N N 103.924 0.3 1 1118 103 103 GLU H H 7.981 0.020 1 1119 103 103 GLU HA H 4.481 0.020 1 1120 103 103 GLU HB2 H 2.084 0.020 2 1121 103 103 GLU HB3 H 1.616 0.020 2 1122 103 103 GLU HG2 H 2.207 0.020 2 1123 103 103 GLU HG3 H 1.928 0.020 2 1124 103 103 GLU C C 175.585 0.3 1 1125 103 103 GLU CA C 54.562 0.3 1 1126 103 103 GLU CB C 31.320 0.3 1 1127 103 103 GLU CG C 36.233 0.3 1 1128 103 103 GLU N N 120.603 0.3 1 1129 104 104 VAL H H 8.397 0.020 1 1130 104 104 VAL HA H 4.281 0.020 1 1131 104 104 VAL HB H 1.819 0.020 1 1132 104 104 VAL HG1 H 0.797 0.020 2 1133 104 104 VAL HG2 H 0.761 0.020 2 1134 104 104 VAL C C 174.226 0.3 1 1135 104 104 VAL CA C 60.731 0.3 1 1136 104 104 VAL CB C 32.725 0.3 1 1137 104 104 VAL CG1 C 21.803 0.3 1 1138 104 104 VAL CG2 C 20.783 0.3 1 1139 104 104 VAL N N 122.338 0.3 1 1140 105 105 GLU H H 8.790 0.020 1 1141 105 105 GLU HA H 4.865 0.020 1 1142 105 105 GLU HB2 H 1.914 0.020 2 1143 105 105 GLU HB3 H 1.683 0.020 2 1144 105 105 GLU HG2 H 2.192 0.020 2 1145 105 105 GLU HG3 H 1.969 0.020 2 1146 105 105 GLU C C 175.870 0.3 1 1147 105 105 GLU CA C 55.447 0.3 1 1148 105 105 GLU CB C 31.205 0.3 1 1149 105 105 GLU CG C 37.023 0.3 1 1150 105 105 GLU N N 127.407 0.3 1 1151 106 106 VAL H H 8.854 0.020 1 1152 106 106 VAL HA H 4.685 0.020 1 1153 106 106 VAL HB H 1.743 0.020 1 1154 106 106 VAL HG1 H 0.842 0.020 2 1155 106 106 VAL HG2 H 0.534 0.020 2 1156 106 106 VAL C C 173.898 0.3 1 1157 106 106 VAL CA C 60.626 0.3 1 1158 106 106 VAL CB C 34.591 0.3 1 1159 106 106 VAL CG1 C 22.292 0.3 1 1160 106 106 VAL CG2 C 21.664 0.3 1 1161 106 106 VAL N N 124.077 0.3 1 1162 107 107 VAL H H 8.950 0.020 1 1163 107 107 VAL HA H 4.660 0.020 1 1164 107 107 VAL HB H 2.071 0.020 1 1165 107 107 VAL HG1 H 0.947 0.020 2 1166 107 107 VAL HG2 H 0.763 0.020 2 1167 107 107 VAL C C 175.244 0.3 1 1168 107 107 VAL CA C 61.735 0.3 1 1169 107 107 VAL CB C 32.244 0.3 1 1170 107 107 VAL CG1 C 23.073 0.3 1 1171 107 107 VAL CG2 C 22.028 0.3 1 1172 107 107 VAL N N 126.967 0.3 1 1173 108 108 LEU H H 9.570 0.020 1 1174 108 108 LEU HA H 6.010 0.020 1 1175 108 108 LEU HB2 H 1.908 0.020 2 1176 108 108 LEU HB3 H 1.758 0.020 2 1177 108 108 LEU HG H 2.092 0.020 1 1178 108 108 LEU HD1 H 0.760 0.020 2 1179 108 108 LEU HD2 H 1.045 0.020 2 1180 108 108 LEU C C 176.717 0.3 1 1181 108 108 LEU CA C 53.326 0.3 1 1182 108 108 LEU CB C 44.161 0.3 1 1183 108 108 LEU CG C 27.295 0.3 1 1184 108 108 LEU CD1 C 25.656 0.3 1 1185 108 108 LEU CD2 C 23.135 0.3 1 1186 108 108 LEU N N 129.294 0.3 1 1187 109 109 SER H H 8.478 0.020 1 1188 109 109 SER HA H 4.912 0.020 1 1189 109 109 SER HB2 H 3.516 0.020 2 1190 109 109 SER HB3 H 2.562 0.020 2 1191 109 109 SER C C 175.373 0.3 1 1192 109 109 SER CA C 57.338 0.3 1 1193 109 109 SER CB C 63.998 0.3 1 1194 109 109 SER N N 111.982 0.3 1 1195 110 110 ASP H H 8.063 0.020 1 1196 110 110 ASP HA H 4.899 0.020 1 1197 110 110 ASP HB2 H 2.526 0.020 1 1198 110 110 ASP HB3 H 2.526 0.020 1 1199 110 110 ASP C C 175.625 0.3 1 1200 110 110 ASP CA C 51.087 0.3 1 1201 110 110 ASP CB C 43.711 0.3 1 1202 110 110 ASP N N 121.898 0.3 1 1203 111 111 PRO HA H 4.058 0.020 1 1204 111 111 PRO HB2 H 1.991 0.020 1 1205 111 111 PRO HB3 H 1.991 0.020 1 1206 111 111 PRO HG2 H 1.969 0.020 2 1207 111 111 PRO HG3 H 1.690 0.020 2 1208 111 111 PRO HD2 H 3.461 0.020 2 1209 111 111 PRO HD3 H 4.031 0.020 2 1210 111 111 PRO C C 177.056 0.3 1 1211 111 111 PRO CA C 64.048 0.3 1 1212 111 111 PRO CB C 32.219 0.3 1 1213 111 111 PRO CG C 27.135 0.3 1 1214 111 111 PRO CD C 50.530 0.3 1 1215 112 112 ARG H H 8.555 0.020 1 1216 112 112 ARG HA H 4.053 0.020 1 1217 112 112 ARG HB2 H 1.514 0.020 1 1218 112 112 ARG HB3 H 1.514 0.020 1 1219 112 112 ARG HG2 H 1.259 0.020 2 1220 112 112 ARG HG3 H 1.121 0.020 2 1221 112 112 ARG HD2 H 3.039 0.020 1 1222 112 112 ARG HD3 H 3.039 0.020 1 1223 112 112 ARG C C 177.373 0.3 1 1224 112 112 ARG CA C 58.343 0.3 1 1225 112 112 ARG CB C 29.588 0.3 1 1226 112 112 ARG CG C 26.256 0.3 1 1227 112 112 ARG CD C 43.394 0.3 1 1228 112 112 ARG N N 118.204 0.3 1 1229 113 113 HIS H H 6.973 0.020 1 1230 113 113 HIS HA H 5.091 0.020 1 1231 113 113 HIS HB2 H 3.607 0.020 2 1232 113 113 HIS HB3 H 2.998 0.020 2 1233 113 113 HIS HD2 H 7.084 0.020 1 1234 113 113 HIS HE1 H 7.829 0.020 1 1235 113 113 HIS C C 174.468 0.3 1 1236 113 113 HIS CA C 55.350 0.3 1 1237 113 113 HIS CB C 31.670 0.3 1 1238 113 113 HIS CD2 C 119.446 0.3 1 1239 113 113 HIS CE1 C 138.340 0.3 1 1240 113 113 HIS N N 114.290 0.3 1 1241 114 114 LYS H H 7.183 0.020 1 1242 114 114 LYS HA H 3.164 0.020 1 1243 114 114 LYS HB2 H 1.379 0.020 2 1244 114 114 LYS HB3 H 1.500 0.020 2 1245 114 114 LYS HG2 H 0.444 0.020 2 1246 114 114 LYS HG3 H 0.186 0.020 2 1247 114 114 LYS HD2 H 1.295 0.020 1 1248 114 114 LYS HD3 H 1.295 0.020 1 1249 114 114 LYS HE2 H 2.727 0.020 1 1250 114 114 LYS HE3 H 2.727 0.020 1 1251 114 114 LYS C C 176.324 0.3 1 1252 114 114 LYS CA C 60.976 0.3 1 1253 114 114 LYS CB C 32.512 0.3 1 1254 114 114 LYS CG C 22.973 0.3 1 1255 114 114 LYS CD C 30.005 0.3 1 1256 114 114 LYS CE C 41.882 0.3 1 1257 114 114 LYS N N 119.485 0.3 1 1258 115 115 GLU H H 8.549 0.020 1 1259 115 115 GLU HA H 3.895 0.020 1 1260 115 115 GLU HB2 H 2.041 0.020 2 1261 115 115 GLU HB3 H 1.926 0.020 2 1262 115 115 GLU HG2 H 2.376 0.020 2 1263 115 115 GLU HG3 H 2.221 0.020 2 1264 115 115 GLU C C 178.936 0.3 1 1265 115 115 GLU CA C 60.403 0.3 1 1266 115 115 GLU CB C 28.268 0.3 1 1267 115 115 GLU CG C 37.113 0.3 1 1268 115 115 GLU N N 116.576 0.3 1 1269 116 116 ALA H H 8.024 0.020 1 1270 116 116 ALA HA H 3.962 0.020 1 1271 116 116 ALA HB H 1.122 0.020 1 1272 116 116 ALA C C 180.724 0.3 1 1273 116 116 ALA CA C 54.690 0.3 1 1274 116 116 ALA CB C 18.013 0.3 1 1275 116 116 ALA N N 122.337 0.3 1 1276 117 117 VAL H H 7.846 0.020 1 1277 117 117 VAL HA H 3.361 0.020 1 1278 117 117 VAL HB H 2.126 0.020 1 1279 117 117 VAL HG1 H 0.896 0.020 2 1280 117 117 VAL HG2 H 0.997 0.020 2 1281 117 117 VAL C C 177.522 0.3 1 1282 117 117 VAL CA C 66.204 0.3 1 1283 117 117 VAL CB C 31.139 0.3 1 1284 117 117 VAL CG1 C 24.822 0.3 1 1285 117 117 VAL CG2 C 22.029 0.3 1 1286 117 117 VAL N N 117.661 0.3 1 1287 118 118 ALA H H 8.653 0.020 1 1288 118 118 ALA HA H 4.224 0.020 1 1289 118 118 ALA HB H 1.667 0.020 1 1290 118 118 ALA C C 181.024 0.3 1 1291 118 118 ALA CA C 55.906 0.3 1 1292 118 118 ALA CB C 18.007 0.3 1 1293 118 118 ALA N N 122.832 0.3 1 1294 119 119 GLN H H 7.839 0.020 1 1295 119 119 GLN HA H 4.121 0.020 1 1296 119 119 GLN HB2 H 2.126 0.020 1 1297 119 119 GLN HB3 H 2.126 0.020 1 1298 119 119 GLN HG2 H 2.528 0.020 2 1299 119 119 GLN HG3 H 2.405 0.020 2 1300 119 119 GLN HE21 H 7.255 0.020 1 1301 119 119 GLN HE22 H 6.310 0.020 1 1302 119 119 GLN C C 177.845 0.3 1 1303 119 119 GLN CA C 58.248 0.3 1 1304 119 119 GLN CB C 28.554 0.3 1 1305 119 119 GLN CG C 34.081 0.3 1 1306 119 119 GLN N N 116.570 0.3 1 1307 119 119 GLN NE2 N 108.262 0.3 1 1308 120 120 LEU H H 7.529 0.020 1 1309 120 120 LEU HA H 4.143 0.020 1 1310 120 120 LEU HB2 H 1.805 0.020 2 1311 120 120 LEU HB3 H 1.613 0.020 2 1312 120 120 LEU HG H 1.717 0.020 1 1313 120 120 LEU HD1 H 0.848 0.020 2 1314 120 120 LEU HD2 H 0.884 0.020 2 1315 120 120 LEU C C 179.256 0.3 1 1316 120 120 LEU CA C 57.215 0.3 1 1317 120 120 LEU CB C 42.880 0.3 1 1318 120 120 LEU CG C 26.824 0.3 1 1319 120 120 LEU CD1 C 25.028 0.3 1 1320 120 120 LEU CD2 C 24.042 0.3 1 1321 120 120 LEU N N 119.915 0.3 1 1322 121 121 LEU H H 8.115 0.020 1 1323 121 121 LEU HA H 4.123 0.020 1 1324 121 121 LEU HB2 H 2.000 0.020 2 1325 121 121 LEU HB3 H 1.315 0.020 2 1326 121 121 LEU HG H 1.908 0.020 1 1327 121 121 LEU HD1 H 1.026 0.020 2 1328 121 121 LEU HD2 H 0.779 0.020 2 1329 121 121 LEU C C 177.887 0.3 1 1330 121 121 LEU CA C 56.704 0.3 1 1331 121 121 LEU CB C 43.043 0.3 1 1332 121 121 LEU CG C 27.316 0.3 1 1333 121 121 LEU CD1 C 26.705 0.3 1 1334 121 121 LEU CD2 C 23.811 0.3 1 1335 121 121 LEU N N 117.047 0.3 1 1336 122 122 ASN H H 8.164 0.020 1 1337 122 122 ASN HA H 4.436 0.020 1 1338 122 122 ASN HB2 H 3.213 0.020 2 1339 122 122 ASN HB3 H 2.527 0.020 2 1340 122 122 ASN HD21 H 7.474 0.020 1 1341 122 122 ASN HD22 H 6.743 0.020 1 1342 122 122 ASN C C 173.407 0.3 1 1343 122 122 ASN CA C 53.802 0.3 1 1344 122 122 ASN CB C 37.875 0.3 1 1345 122 122 ASN N N 113.790 0.3 1 1346 122 122 ASN ND2 N 110.941 0.3 1 1347 123 123 ARG H H 7.289 0.020 1 1348 123 123 ARG HA H 4.858 0.020 1 1349 123 123 ARG HB2 H 2.022 0.020 2 1350 123 123 ARG HB3 H 1.854 0.020 2 1351 123 123 ARG HG2 H 1.640 0.020 2 1352 123 123 ARG HG3 H 1.537 0.020 2 1353 123 123 ARG HD2 H 3.247 0.020 2 1354 123 123 ARG HD3 H 3.177 0.020 2 1355 123 123 ARG C C 172.532 0.3 1 1356 123 123 ARG CA C 53.610 0.3 1 1357 123 123 ARG CB C 30.537 0.3 1 1358 123 123 ARG CG C 24.449 0.3 1 1359 123 123 ARG CD C 44.157 0.3 1 1360 123 123 ARG N N 112.528 0.3 1 1361 124 124 PRO HA H 4.393 0.020 1 1362 124 124 PRO HB2 H 2.453 0.020 2 1363 124 124 PRO HB3 H 1.955 0.020 2 1364 124 124 PRO HG2 H 2.210 0.020 1 1365 124 124 PRO HG3 H 2.210 0.020 1 1366 124 124 PRO HD2 H 3.852 0.020 2 1367 124 124 PRO HD3 H 3.739 0.020 2 1368 124 124 PRO C C 175.897 0.3 1 1369 124 124 PRO CA C 64.389 0.3 1 1370 124 124 PRO CB C 32.441 0.3 1 1371 124 124 PRO CG C 27.844 0.3 1 1372 124 124 PRO CD C 50.639 0.3 1 1373 125 125 ALA H H 8.139 0.020 1 1374 125 125 ALA HA H 5.231 0.020 1 1375 125 125 ALA HB H 0.831 0.020 1 1376 125 125 ALA C C 174.645 0.3 1 1377 125 125 ALA CA C 50.698 0.3 1 1378 125 125 ALA CB C 23.031 0.3 1 1379 125 125 ALA N N 125.142 0.3 1 1380 126 126 ARG H H 8.720 0.020 1 1381 126 126 ARG HA H 4.474 0.020 1 1382 126 126 ARG HB2 H 1.657 0.020 2 1383 126 126 ARG HB3 H 1.587 0.020 2 1384 126 126 ARG HG2 H 1.437 0.020 2 1385 126 126 ARG HG3 H 1.285 0.020 2 1386 126 126 ARG HD2 H 3.153 0.020 1 1387 126 126 ARG HD3 H 3.153 0.020 1 1388 126 126 ARG C C 173.938 0.3 1 1389 126 126 ARG CA C 54.450 0.3 1 1390 126 126 ARG CB C 32.597 0.3 1 1391 126 126 ARG CG C 26.561 0.3 1 1392 126 126 ARG CD C 43.397 0.3 1 1393 126 126 ARG N N 122.384 0.3 1 1394 127 127 PHE H H 8.457 0.020 1 1395 127 127 PHE HA H 5.474 0.020 1 1396 127 127 PHE HB2 H 2.896 0.020 2 1397 127 127 PHE HB3 H 2.793 0.020 2 1398 127 127 PHE HD1 H 7.202 0.020 1 1399 127 127 PHE HD2 H 7.202 0.020 1 1400 127 127 PHE C C 174.967 0.3 1 1401 127 127 PHE CA C 57.927 0.3 1 1402 127 127 PHE CB C 42.733 0.3 1 1403 127 127 PHE CD1 C 132.170 0.3 1 1404 127 127 PHE CD2 C 132.170 0.3 1 1405 127 127 PHE N N 121.420 0.3 1 1406 128 128 TYR H H 9.223 0.020 1 1407 128 128 TYR HA H 5.458 0.020 1 1408 128 128 TYR HB2 H 2.991 0.020 2 1409 128 128 TYR HB3 H 2.734 0.020 2 1410 128 128 TYR HD1 H 6.871 0.020 1 1411 128 128 TYR HD2 H 6.871 0.020 1 1412 128 128 TYR HE1 H 6.588 0.020 1 1413 128 128 TYR HE2 H 6.588 0.020 1 1414 128 128 TYR C C 174.557 0.3 1 1415 128 128 TYR CA C 55.384 0.3 1 1416 128 128 TYR CB C 42.619 0.3 1 1417 128 128 TYR CD1 C 133.306 0.3 1 1418 128 128 TYR CD2 C 133.306 0.3 1 1419 128 128 TYR CE1 C 117.580 0.3 1 1420 128 128 TYR CE2 C 117.580 0.3 1 1421 128 128 TYR N N 120.935 0.3 1 1422 129 129 LEU H H 8.962 0.020 1 1423 129 129 LEU HA H 5.382 0.020 1 1424 129 129 LEU HB2 H 1.894 0.020 2 1425 129 129 LEU HB3 H 1.279 0.020 2 1426 129 129 LEU HG H 1.818 0.020 1 1427 129 129 LEU HD1 H 0.889 0.020 2 1428 129 129 LEU HD2 H 0.947 0.020 2 1429 129 129 LEU C C 173.153 0.3 1 1430 129 129 LEU CA C 53.194 0.3 1 1431 129 129 LEU CB C 46.416 0.3 1 1432 129 129 LEU CG C 27.305 0.3 1 1433 129 129 LEU CD1 C 26.973 0.3 1 1434 129 129 LEU CD2 C 23.659 0.3 1 1435 129 129 LEU N N 123.207 0.3 1 1436 130 130 ALA H H 8.441 0.020 1 1437 130 130 ALA HA H 4.878 0.020 1 1438 130 130 ALA HB H 1.213 0.020 1 1439 130 130 ALA C C 174.988 0.3 1 1440 130 130 ALA CA C 49.521 0.3 1 1441 130 130 ALA CB C 23.039 0.3 1 1442 130 130 ALA N N 126.168 0.3 1 1443 131 131 LEU H H 8.555 0.020 1 1444 131 131 LEU HA H 3.905 0.020 1 1445 131 131 LEU HB2 H 1.604 0.020 1 1446 131 131 LEU HB3 H 1.604 0.020 1 1447 131 131 LEU HG H 1.816 0.020 1 1448 131 131 LEU HD1 H 1.065 0.020 2 1449 131 131 LEU HD2 H 0.585 0.020 2 1450 131 131 LEU C C 176.493 0.3 1 1451 131 131 LEU CA C 53.923 0.3 1 1452 131 131 LEU CB C 40.723 0.3 1 1453 131 131 LEU CG C 27.860 0.3 1 1454 131 131 LEU CD1 C 25.776 0.3 1 1455 131 131 LEU CD2 C 23.565 0.3 1 1456 131 131 LEU N N 117.415 0.3 1 1457 132 132 PRO HA H 4.241 0.020 1 1458 132 132 PRO HB2 H 2.458 0.020 2 1459 132 132 PRO HB3 H 2.026 0.020 2 1460 132 132 PRO HG2 H 2.245 0.020 2 1461 132 132 PRO HG3 H 2.119 0.020 2 1462 132 132 PRO HD2 H 3.467 0.020 1 1463 132 132 PRO HD3 H 3.467 0.020 1 1464 132 132 PRO C C 178.990 0.3 1 1465 132 132 PRO CA C 67.015 0.3 1 1466 132 132 PRO CB C 32.126 0.3 1 1467 132 132 PRO CG C 27.870 0.3 1 1468 132 132 PRO CD C 49.886 0.3 1 1469 133 133 GLN H H 8.940 0.020 1 1470 133 133 GLN HA H 4.196 0.020 1 1471 133 133 GLN HB2 H 2.032 0.020 2 1472 133 133 GLN HB3 H 2.104 0.020 2 1473 133 133 GLN HG2 H 2.507 0.020 2 1474 133 133 GLN HG3 H 2.460 0.020 2 1475 133 133 GLN HE21 H 7.558 0.020 1 1476 133 133 GLN HE22 H 6.892 0.020 1 1477 133 133 GLN C C 178.179 0.3 1 1478 133 133 GLN CA C 59.236 0.3 1 1479 133 133 GLN CB C 27.813 0.3 1 1480 133 133 GLN CG C 34.081 0.3 1 1481 133 133 GLN N N 116.087 0.3 1 1482 133 133 GLN NE2 N 112.395 0.3 1 1483 134 134 ALA H H 6.943 0.020 1 1484 134 134 ALA HA H 4.210 0.020 1 1485 134 134 ALA HB H 1.532 0.020 1 1486 134 134 ALA C C 180.455 0.3 1 1487 134 134 ALA CA C 54.121 0.3 1 1488 134 134 ALA CB C 18.960 0.3 1 1489 134 134 ALA N N 123.051 0.3 1 1490 135 135 TRP H H 9.032 0.020 1 1491 135 135 TRP HA H 3.550 0.020 1 1492 135 135 TRP HB2 H 2.862 0.020 1 1493 135 135 TRP HB3 H 2.862 0.020 1 1494 135 135 TRP HD1 H 6.693 0.020 1 1495 135 135 TRP HE1 H 8.693 0.020 1 1496 135 135 TRP HE3 H 7.377 0.020 1 1497 135 135 TRP HZ2 H 7.173 0.020 1 1498 135 135 TRP HZ3 H 6.706 0.020 1 1499 135 135 TRP HH2 H 6.329 0.020 1 1500 135 135 TRP C C 177.196 0.3 1 1501 135 135 TRP CA C 63.521 0.3 1 1502 135 135 TRP CB C 29.115 0.3 1 1503 135 135 TRP CD1 C 125.227 0.3 1 1504 135 135 TRP CE3 C 120.368 0.3 1 1505 135 135 TRP CZ2 C 114.745 0.3 1 1506 135 135 TRP CZ3 C 120.716 0.3 1 1507 135 135 TRP CH2 C 125.031 0.3 1 1508 135 135 TRP N N 120.807 0.3 1 1509 135 135 TRP NE1 N 128.694 0.3 1 1510 136 136 GLU H H 8.549 0.020 1 1511 136 136 GLU HA H 3.761 0.020 1 1512 136 136 GLU HB2 H 2.322 0.020 2 1513 136 136 GLU HB3 H 2.194 0.020 2 1514 136 136 GLU HG2 H 2.582 0.020 2 1515 136 136 GLU HG3 H 2.500 0.020 2 1516 136 136 GLU C C 178.428 0.3 1 1517 136 136 GLU CA C 60.061 0.3 1 1518 136 136 GLU CB C 29.329 0.3 1 1519 136 136 GLU CG C 36.142 0.3 1 1520 136 136 GLU N N 118.385 0.3 1 1521 137 137 GLU H H 7.313 0.020 1 1522 137 137 GLU HA H 3.960 0.020 1 1523 137 137 GLU HB2 H 2.071 0.020 2 1524 137 137 GLU HB3 H 2.010 0.020 2 1525 137 137 GLU HG2 H 2.419 0.020 2 1526 137 137 GLU HG3 H 2.276 0.020 2 1527 137 137 GLU C C 178.588 0.3 1 1528 137 137 GLU CA C 59.220 0.3 1 1529 137 137 GLU CB C 29.475 0.3 1 1530 137 137 GLU CG C 35.859 0.3 1 1531 137 137 GLU N N 117.533 0.3 1 1532 138 138 LEU H H 7.180 0.020 1 1533 138 138 LEU HA H 3.830 0.020 1 1534 138 138 LEU HB2 H 1.431 0.020 1 1535 138 138 LEU HB3 H 1.431 0.020 1 1536 138 138 LEU HG H 1.451 0.020 1 1537 138 138 LEU HD1 H 0.677 0.020 2 1538 138 138 LEU HD2 H 0.717 0.020 2 1539 138 138 LEU C C 177.908 0.3 1 1540 138 138 LEU CA C 57.262 0.3 1 1541 138 138 LEU CB C 41.671 0.3 1 1542 138 138 LEU CG C 26.700 0.3 1 1543 138 138 LEU CD1 C 24.550 0.3 1 1544 138 138 LEU CD2 C 23.858 0.3 1 1545 138 138 LEU N N 118.882 0.3 1 1546 139 139 PHE H H 8.527 0.020 1 1547 139 139 PHE HA H 3.589 0.020 1 1548 139 139 PHE HB2 H 2.460 0.020 2 1549 139 139 PHE HB3 H 1.317 0.020 2 1550 139 139 PHE HD1 H 6.899 0.020 1 1551 139 139 PHE HD2 H 6.899 0.020 1 1552 139 139 PHE C C 176.518 0.3 1 1553 139 139 PHE CA C 62.059 0.3 1 1554 139 139 PHE CB C 38.264 0.3 1 1555 139 139 PHE CD1 C 132.078 0.3 1 1556 139 139 PHE CD2 C 132.078 0.3 1 1557 139 139 PHE N N 120.761 0.3 1 1558 140 140 ARG H H 7.829 0.020 1 1559 140 140 ARG HA H 3.773 0.020 1 1560 140 140 ARG HB2 H 1.880 0.020 2 1561 140 140 ARG HB3 H 1.812 0.020 2 1562 140 140 ARG HG2 H 1.945 0.020 2 1563 140 140 ARG HG3 H 1.709 0.020 2 1564 140 140 ARG HD2 H 3.255 0.020 2 1565 140 140 ARG HD3 H 3.189 0.020 2 1566 140 140 ARG C C 177.915 0.3 1 1567 140 140 ARG CA C 58.708 0.3 1 1568 140 140 ARG CB C 30.317 0.3 1 1569 140 140 ARG CG C 28.255 0.3 1 1570 140 140 ARG CD C 43.882 0.3 1 1571 140 140 ARG N N 115.796 0.3 1 1572 141 141 ARG H H 7.164 0.020 1 1573 141 141 ARG HA H 4.074 0.020 1 1574 141 141 ARG HB2 H 1.778 0.020 2 1575 141 141 ARG HB3 H 1.710 0.020 2 1576 141 141 ARG HG2 H 1.843 0.020 2 1577 141 141 ARG HG3 H 1.570 0.020 2 1578 141 141 ARG HD2 H 3.243 0.020 2 1579 141 141 ARG HD3 H 3.107 0.020 2 1580 141 141 ARG C C 177.292 0.3 1 1581 141 141 ARG CA C 57.865 0.3 1 1582 141 141 ARG CB C 31.003 0.3 1 1583 141 141 ARG CG C 28.048 0.3 1 1584 141 141 ARG CD C 44.105 0.3 1 1585 141 141 ARG N N 115.242 0.3 1 1586 142 142 ALA H H 7.953 0.020 1 1587 142 142 ALA HA H 3.807 0.020 1 1588 142 142 ALA HB H 0.871 0.020 1 1589 142 142 ALA C C 176.426 0.3 1 1590 142 142 ALA CA C 53.263 0.3 1 1591 142 142 ALA CB C 20.528 0.3 1 1592 142 142 ALA N N 121.132 0.3 1 1593 143 143 TYR H H 7.653 0.020 1 1594 143 143 TYR HA H 4.639 0.020 1 1595 143 143 TYR HB2 H 2.463 0.020 2 1596 143 143 TYR HB3 H 1.880 0.020 2 1597 143 143 TYR HD1 H 6.806 0.020 1 1598 143 143 TYR HD2 H 6.806 0.020 1 1599 143 143 TYR HE1 H 6.803 0.020 1 1600 143 143 TYR HE2 H 6.803 0.020 1 1601 143 143 TYR C C 172.776 0.3 1 1602 143 143 TYR CA C 55.106 0.3 1 1603 143 143 TYR CB C 38.056 0.3 1 1604 143 143 TYR CD1 C 133.357 0.3 1 1605 143 143 TYR CD2 C 133.357 0.3 1 1606 143 143 TYR CE1 C 117.364 0.3 1 1607 143 143 TYR CE2 C 117.364 0.3 1 1608 143 143 TYR N N 113.866 0.3 1 1609 144 144 PRO HA H 4.466 0.020 1 1610 144 144 PRO HB2 H 2.246 0.020 2 1611 144 144 PRO HB3 H 1.887 0.020 2 1612 144 144 PRO HG2 H 1.902 0.020 1 1613 144 144 PRO HG3 H 1.902 0.020 1 1614 144 144 PRO HD2 H 3.397 0.020 2 1615 144 144 PRO HD3 H 3.211 0.020 2 1616 144 144 PRO C C 177.314 0.3 1 1617 144 144 PRO CA C 63.403 0.3 1 1618 144 144 PRO CB C 32.100 0.3 1 1619 144 144 PRO CG C 27.009 0.3 1 1620 144 144 PRO CD C 50.009 0.3 1 1621 145 145 GLN H H 8.398 0.020 1 1622 145 145 GLN HA H 4.312 0.020 1 1623 145 145 GLN HB2 H 2.087 0.020 2 1624 145 145 GLN HB3 H 1.989 0.020 2 1625 145 145 GLN HG2 H 2.371 0.020 1 1626 145 145 GLN HG3 H 2.371 0.020 1 1627 145 145 GLN HE21 H 7.527 0.020 1 1628 145 145 GLN HE22 H 6.746 0.020 1 1629 145 145 GLN C C 174.818 0.3 1 1630 145 145 GLN CA C 56.501 0.3 1 1631 145 145 GLN CB C 30.069 0.3 1 1632 145 145 GLN CG C 34.118 0.3 1 1633 145 145 GLN N N 121.008 0.3 1 1634 145 145 GLN NE2 N 111.948 0.3 1 1635 146 146 LYS H H 7.864 0.020 1 1636 146 146 LYS HA H 4.156 0.020 1 1637 146 146 LYS HB2 H 1.818 0.020 1 1638 146 146 LYS HB3 H 1.818 0.020 1 1639 146 146 LYS HG2 H 1.388 0.020 1 1640 146 146 LYS HG3 H 1.388 0.020 1 1641 146 146 LYS HD2 H 1.676 0.020 1 1642 146 146 LYS HD3 H 1.676 0.020 1 1643 146 146 LYS HE2 H 2.990 0.020 1 1644 146 146 LYS HE3 H 2.990 0.020 1 1645 146 146 LYS C C 181.007 0.3 1 1646 146 146 LYS CA C 57.725 0.3 1 1647 146 146 LYS CB C 33.818 0.3 1 1648 146 146 LYS CG C 24.682 0.3 1 1649 146 146 LYS CD C 29.124 0.3 1 1650 146 146 LYS CE C 42.199 0.3 1 1651 146 146 LYS N N 128.285 0.3 1 stop_ save_