data_34247 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of yeast TSR2(1-152) ; _BMRB_accession_number 34247 _BMRB_flat_file_name bmr34247.str _Entry_type original _Submission_date 2018-03-16 _Accession_date 2018-03-16 _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 Michel E. . . 2 Schuetz S. . . 3 Damberger F. F. . 4 Allain F. H.-T. . 5 Panse V. G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 942 "13C chemical shifts" 560 "15N chemical shifts" 173 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-09-13 original BMRB . stop_ _Original_release_date 2018-09-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular basis for disassembly of an importin:ribosomal protein complex by the escortin Tsr2 ; _Citation_status published _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 Schuetz S. . . 2 Michel E. . . 3 Damberger F. F. . 4 Oplova M. . . 5 Pena C. . . 6 Leitner A. . . 7 Aebersold R. . . 8 Allain F. H.-T. . 9 Panse V. G. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3669 _Page_last 3669 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Pre-rRNA-processing protein TSR2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 17938.062 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; SGSHMSTQYIDETAFVQAEQ GKTNLMFSDEKQQARFELGV SMVIYKWDALDVAVENSWGG PDSAEKRDWITGIVVDLFKN EKVVDAALIEETLLYAMIDE FETNVEDDSALPIAVEVINI YNDCFNLNYNKVEKLYLEWQ EKQRTKKSKRVVHIEG ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLY 3 SER 4 HIS 5 MET 6 SER 7 THR 8 GLN 9 TYR 10 ILE 11 ASP 12 GLU 13 THR 14 ALA 15 PHE 16 VAL 17 GLN 18 ALA 19 GLU 20 GLN 21 GLY 22 LYS 23 THR 24 ASN 25 LEU 26 MET 27 PHE 28 SER 29 ASP 30 GLU 31 LYS 32 GLN 33 GLN 34 ALA 35 ARG 36 PHE 37 GLU 38 LEU 39 GLY 40 VAL 41 SER 42 MET 43 VAL 44 ILE 45 TYR 46 LYS 47 TRP 48 ASP 49 ALA 50 LEU 51 ASP 52 VAL 53 ALA 54 VAL 55 GLU 56 ASN 57 SER 58 TRP 59 GLY 60 GLY 61 PRO 62 ASP 63 SER 64 ALA 65 GLU 66 LYS 67 ARG 68 ASP 69 TRP 70 ILE 71 THR 72 GLY 73 ILE 74 VAL 75 VAL 76 ASP 77 LEU 78 PHE 79 LYS 80 ASN 81 GLU 82 LYS 83 VAL 84 VAL 85 ASP 86 ALA 87 ALA 88 LEU 89 ILE 90 GLU 91 GLU 92 THR 93 LEU 94 LEU 95 TYR 96 ALA 97 MET 98 ILE 99 ASP 100 GLU 101 PHE 102 GLU 103 THR 104 ASN 105 VAL 106 GLU 107 ASP 108 ASP 109 SER 110 ALA 111 LEU 112 PRO 113 ILE 114 ALA 115 VAL 116 GLU 117 VAL 118 ILE 119 ASN 120 ILE 121 TYR 122 ASN 123 ASP 124 CYS 125 PHE 126 ASN 127 LEU 128 ASN 129 TYR 130 ASN 131 LYS 132 VAL 133 GLU 134 LYS 135 LEU 136 TYR 137 LEU 138 GLU 139 TRP 140 GLN 141 GLU 142 LYS 143 GLN 144 ARG 145 THR 146 LYS 147 LYS 148 SER 149 LYS 150 ARG 151 VAL 152 VAL 153 HIS 154 ILE 155 GLU 156 GLY 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 _Gene_mnemonic $entity_1 "Baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 'TSR2, YLR435W' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $entity_1 'recombinant technology' . . . . CodonPlusRIL . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.8 mM [U-13C; U-15N] Tsr2(1-152), 20 mM sodium phosphate, 1 mM [U-2H] DTT, 10 uM EDTA, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM [U-2H] EDTA 10 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name ATNOS _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 41 . mM pH 7.0 . pH pressure 1 . atm temperature 293.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons Hz 899600141.2372 internal indirect . . . 0.251449530 water H 1 protons Hz 899600141.2372 internal direct . . . 1 water N 15 protons Hz 899600141.2372 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D 1H-15N TOCSY' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 2 2 GLY HA2 H 3.918 0.02 1 2 2 2 GLY HA3 H 3.918 0.02 1 3 2 2 GLY CA C 45.231 0.3 1 4 3 3 SER H H 8.315 0.02 1 5 3 3 SER HA H 4.308 0.02 1 6 3 3 SER HB2 H 3.707 0.02 2 7 3 3 SER HB3 H 3.681 0.02 2 8 3 3 SER CA C 58.301 0.3 1 9 3 3 SER CB C 63.801 0.3 1 10 3 3 SER N N 115.515 0.3 1 11 4 4 HIS H H 8.427 0.02 1 12 4 4 HIS HA H 4.534 0.02 1 13 4 4 HIS HB2 H 3.071 0.02 2 14 4 4 HIS HB3 H 2.990 0.02 2 15 4 4 HIS HD2 H 6.961 0.02 1 16 4 4 HIS HE1 H 7.977 0.02 1 17 4 4 HIS CA C 55.990 0.3 1 18 4 4 HIS CB C 29.731 0.3 1 19 4 4 HIS CD2 C 119.685 0.3 1 20 4 4 HIS CE1 C 137.470 0.3 1 21 4 4 HIS N N 121.018 0.3 1 22 5 5 MET H H 8.293 0.02 1 23 5 5 MET HA H 4.348 0.02 1 24 5 5 MET HB2 H 1.951 0.02 2 25 5 5 MET HB3 H 1.845 0.02 2 26 5 5 MET HG2 H 2.403 0.02 2 27 5 5 MET HG3 H 2.323 0.02 2 28 5 5 MET HE H 1.935 0.02 1 29 5 5 MET CA C 55.566 0.3 1 30 5 5 MET CB C 32.839 0.3 1 31 5 5 MET CG C 31.870 0.3 1 32 5 5 MET CE C 16.845 0.3 1 33 5 5 MET N N 121.229 0.3 1 34 6 6 SER H H 8.320 0.02 1 35 6 6 SER HA H 4.380 0.02 1 36 6 6 SER HB2 H 3.812 0.02 2 37 6 6 SER HB3 H 3.756 0.02 2 38 6 6 SER CA C 58.428 0.3 1 39 6 6 SER CB C 63.711 0.3 1 40 6 6 SER N N 116.570 0.3 1 41 7 7 THR H H 8.097 0.02 1 42 7 7 THR HA H 4.169 0.02 1 43 7 7 THR HB H 4.101 0.02 1 44 7 7 THR HG2 H 1.024 0.02 1 45 7 7 THR CA C 62.036 0.3 1 46 7 7 THR CB C 69.419 0.3 1 47 7 7 THR CG2 C 21.612 0.3 1 48 7 7 THR N N 115.298 0.3 1 49 8 8 GLN H H 8.143 0.02 1 50 8 8 GLN HA H 4.130 0.02 1 51 8 8 GLN HB2 H 1.804 0.02 2 52 8 8 GLN HB3 H 1.746 0.02 2 53 8 8 GLN HG2 H 2.061 0.02 2 54 8 8 GLN HG3 H 2.038 0.02 2 55 8 8 GLN HE21 H 7.367 0.02 1 56 8 8 GLN HE22 H 6.733 0.02 1 57 8 8 GLN CA C 55.951 0.3 1 58 8 8 GLN CB C 29.428 0.3 1 59 8 8 GLN CG C 33.578 0.3 1 60 8 8 GLN N N 121.614 0.3 1 61 8 8 GLN NE2 N 112.096 0.3 1 62 9 9 TYR H H 8.105 0.02 1 63 9 9 TYR HA H 4.435 0.02 1 64 9 9 TYR HB2 H 2.881 0.02 2 65 9 9 TYR HB3 H 2.784 0.02 2 66 9 9 TYR HD1 H 6.935 0.02 1 67 9 9 TYR HD2 H 6.935 0.02 1 68 9 9 TYR HE1 H 6.645 0.02 1 69 9 9 TYR HE2 H 6.645 0.02 1 70 9 9 TYR CA C 57.934 0.3 1 71 9 9 TYR CB C 38.620 0.3 1 72 9 9 TYR CD1 C 133.046 0.3 1 73 9 9 TYR CD2 C 133.046 0.3 1 74 9 9 TYR CE1 C 118.136 0.3 1 75 9 9 TYR CE2 C 118.136 0.3 1 76 9 9 TYR N N 120.797 0.3 1 77 10 10 ILE H H 7.835 0.02 1 78 10 10 ILE HA H 3.971 0.02 1 79 10 10 ILE HB H 1.654 0.02 1 80 10 10 ILE HG12 H 1.253 0.02 2 81 10 10 ILE HG13 H 0.953 0.02 2 82 10 10 ILE HG2 H 0.674 0.02 1 83 10 10 ILE HD1 H 0.657 0.02 1 84 10 10 ILE CA C 60.783 0.3 1 85 10 10 ILE CB C 39.153 0.3 1 86 10 10 ILE CG1 C 27.069 0.3 1 87 10 10 ILE CG2 C 17.446 0.3 1 88 10 10 ILE CD1 C 12.981 0.3 1 89 10 10 ILE N N 121.840 0.3 1 90 11 11 ASP H H 8.122 0.02 1 91 11 11 ASP HA H 4.457 0.02 1 92 11 11 ASP HB2 H 2.670 0.02 2 93 11 11 ASP HB3 H 2.529 0.02 2 94 11 11 ASP CA C 53.898 0.3 1 95 11 11 ASP CB C 41.031 0.3 1 96 11 11 ASP N N 123.462 0.3 1 97 12 12 GLU H H 8.559 0.02 1 98 12 12 GLU HA H 4.051 0.02 1 99 12 12 GLU HB2 H 1.991 0.02 2 100 12 12 GLU HB3 H 1.893 0.02 2 101 12 12 GLU HG2 H 2.184 0.02 2 102 12 12 GLU HG3 H 2.115 0.02 2 103 12 12 GLU CA C 57.481 0.3 1 104 12 12 GLU CB C 29.608 0.3 1 105 12 12 GLU CG C 36.176 0.3 1 106 12 12 GLU N N 121.340 0.3 1 107 13 13 THR H H 8.180 0.02 1 108 13 13 THR HA H 4.287 0.02 1 109 13 13 THR HB H 4.211 0.02 1 110 13 13 THR HG2 H 1.114 0.02 1 111 13 13 THR CA C 62.030 0.3 1 112 13 13 THR CB C 69.645 0.3 1 113 13 13 THR CG2 C 21.788 0.3 1 114 13 13 THR N N 111.888 0.3 1 115 14 14 ALA H H 7.834 0.02 1 116 14 14 ALA HA H 4.273 0.02 1 117 14 14 ALA HB H 1.293 0.02 1 118 14 14 ALA CA C 52.453 0.3 1 119 14 14 ALA CB C 19.063 0.3 1 120 14 14 ALA N N 125.994 0.3 1 121 15 15 PHE H H 7.793 0.02 1 122 15 15 PHE HA H 5.160 0.02 1 123 15 15 PHE HB2 H 3.008 0.02 2 124 15 15 PHE HB3 H 2.694 0.02 2 125 15 15 PHE HD1 H 6.915 0.02 1 126 15 15 PHE HD2 H 6.915 0.02 1 127 15 15 PHE HE1 H 7.138 0.02 1 128 15 15 PHE HE2 H 7.138 0.02 1 129 15 15 PHE HZ H 7.131 0.02 1 130 15 15 PHE CA C 56.267 0.3 1 131 15 15 PHE CB C 42.319 0.3 1 132 15 15 PHE CD1 C 131.904 0.3 1 133 15 15 PHE CD2 C 131.904 0.3 1 134 15 15 PHE CE1 C 131.208 0.3 1 135 15 15 PHE CE2 C 131.208 0.3 1 136 15 15 PHE CZ C 129.823 0.3 1 137 15 15 PHE N N 116.760 0.3 1 138 16 16 VAL H H 8.449 0.02 1 139 16 16 VAL HA H 4.174 0.02 1 140 16 16 VAL HB H 1.585 0.02 1 141 16 16 VAL HG1 H 0.658 0.02 2 142 16 16 VAL HG2 H 0.408 0.02 2 143 16 16 VAL CA C 60.015 0.3 1 144 16 16 VAL CB C 34.511 0.3 1 145 16 16 VAL CG1 C 22.846 0.3 1 146 16 16 VAL CG2 C 19.907 0.3 1 147 16 16 VAL N N 115.943 0.3 1 148 17 17 GLN H H 8.348 0.02 1 149 17 17 GLN HA H 5.117 0.02 1 150 17 17 GLN HB2 H 1.953 0.02 2 151 17 17 GLN HB3 H 1.843 0.02 2 152 17 17 GLN HG2 H 2.314 0.02 2 153 17 17 GLN HG3 H 2.117 0.02 2 154 17 17 GLN HE21 H 7.468 0.02 1 155 17 17 GLN HE22 H 6.685 0.02 1 156 17 17 GLN CA C 53.355 0.3 1 157 17 17 GLN CB C 32.825 0.3 1 158 17 17 GLN CG C 33.252 0.3 1 159 17 17 GLN N N 120.629 0.3 1 160 17 17 GLN NE2 N 111.165 0.3 1 161 18 18 ALA H H 8.628 0.02 1 162 18 18 ALA HA H 4.031 0.02 1 163 18 18 ALA HB H 1.075 0.02 1 164 18 18 ALA CA C 52.150 0.3 1 165 18 18 ALA CB C 19.534 0.3 1 166 18 18 ALA N N 127.205 0.3 1 167 19 19 GLU H H 8.631 0.02 1 168 19 19 GLU HA H 4.093 0.02 1 169 19 19 GLU HB2 H 2.080 0.02 2 170 19 19 GLU HB3 H 1.901 0.02 2 171 19 19 GLU HG2 H 2.421 0.02 2 172 19 19 GLU HG3 H 2.351 0.02 2 173 19 19 GLU CA C 56.234 0.3 1 174 19 19 GLU CB C 31.219 0.3 1 175 19 19 GLU CG C 36.961 0.3 1 176 19 19 GLU N N 121.240 0.3 1 177 20 20 GLN H H 8.529 0.02 1 178 20 20 GLN HA H 3.937 0.02 1 179 20 20 GLN HB2 H 1.982 0.02 2 180 20 20 GLN HB3 H 1.958 0.02 2 181 20 20 GLN HG2 H 2.318 0.02 1 182 20 20 GLN HG3 H 2.318 0.02 1 183 20 20 GLN HE21 H 7.522 0.02 1 184 20 20 GLN HE22 H 6.773 0.02 1 185 20 20 GLN CA C 57.807 0.3 1 186 20 20 GLN CB C 28.270 0.3 1 187 20 20 GLN CG C 33.536 0.3 1 188 20 20 GLN N N 120.445 0.3 1 189 20 20 GLN NE2 N 112.082 0.3 1 190 21 21 GLY H H 8.703 0.02 1 191 21 21 GLY HA2 H 4.150 0.02 2 192 21 21 GLY HA3 H 3.569 0.02 2 193 21 21 GLY CA C 45.062 0.3 1 194 21 21 GLY N N 112.541 0.3 1 195 22 22 LYS H H 7.922 0.02 1 196 22 22 LYS HA H 4.573 0.02 1 197 22 22 LYS HB2 H 2.044 0.02 2 198 22 22 LYS HB3 H 1.959 0.02 2 199 22 22 LYS HG2 H 1.508 0.02 2 200 22 22 LYS HG3 H 1.294 0.02 2 201 22 22 LYS HD2 H 1.703 0.02 2 202 22 22 LYS HD3 H 1.675 0.02 2 203 22 22 LYS HE2 H 2.981 0.02 1 204 22 22 LYS HE3 H 2.981 0.02 1 205 22 22 LYS CA C 54.855 0.3 1 206 22 22 LYS CB C 33.374 0.3 1 207 22 22 LYS CG C 25.280 0.3 1 208 22 22 LYS CD C 28.397 0.3 1 209 22 22 LYS CE C 42.354 0.3 1 210 22 22 LYS N N 119.819 0.3 1 211 23 23 THR H H 8.661 0.02 1 212 23 23 THR HA H 4.066 0.02 1 213 23 23 THR HB H 4.238 0.02 1 214 23 23 THR HG2 H 1.053 0.02 1 215 23 23 THR CA C 62.216 0.3 1 216 23 23 THR CB C 69.202 0.3 1 217 23 23 THR CG2 C 21.793 0.3 1 218 23 23 THR N N 110.564 0.3 1 219 24 24 ASN H H 7.419 0.02 1 220 24 24 ASN HA H 4.416 0.02 1 221 24 24 ASN HB2 H 2.641 0.02 2 222 24 24 ASN HB3 H 2.600 0.02 2 223 24 24 ASN HD21 H 7.390 0.02 1 224 24 24 ASN HD22 H 6.699 0.02 1 225 24 24 ASN CA C 52.564 0.3 1 226 24 24 ASN CB C 39.331 0.3 1 227 24 24 ASN N N 113.471 0.3 1 228 24 24 ASN ND2 N 115.507 0.3 1 229 25 25 LEU H H 7.547 0.02 1 230 25 25 LEU HA H 4.165 0.02 1 231 25 25 LEU HB2 H 1.943 0.02 2 232 25 25 LEU HB3 H 1.606 0.02 2 233 25 25 LEU HG H 1.193 0.02 1 234 25 25 LEU HD1 H 0.381 0.02 2 235 25 25 LEU HD2 H 0.281 0.02 2 236 25 25 LEU CA C 55.250 0.3 1 237 25 25 LEU CB C 43.264 0.3 1 238 25 25 LEU CG C 28.245 0.3 1 239 25 25 LEU CD1 C 23.301 0.3 1 240 25 25 LEU CD2 C 27.460 0.3 1 241 25 25 LEU N N 117.769 0.3 1 242 26 26 MET H H 8.099 0.02 1 243 26 26 MET HA H 3.954 0.02 1 244 26 26 MET HB2 H 1.897 0.02 2 245 26 26 MET HB3 H 1.648 0.02 2 246 26 26 MET HG2 H 2.474 0.02 2 247 26 26 MET HG3 H 2.292 0.02 2 248 26 26 MET HE H 2.005 0.02 1 249 26 26 MET CA C 56.890 0.3 1 250 26 26 MET CB C 33.530 0.3 1 251 26 26 MET CG C 32.060 0.3 1 252 26 26 MET CE C 17.396 0.3 1 253 26 26 MET N N 122.426 0.3 1 254 27 27 PHE H H 8.106 0.02 1 255 27 27 PHE HA H 4.244 0.02 1 256 27 27 PHE HB2 H 3.190 0.02 2 257 27 27 PHE HB3 H 2.896 0.02 2 258 27 27 PHE HD1 H 7.028 0.02 1 259 27 27 PHE HD2 H 7.028 0.02 1 260 27 27 PHE HE1 H 6.440 0.02 1 261 27 27 PHE HE2 H 6.440 0.02 1 262 27 27 PHE HZ H 5.809 0.02 1 263 27 27 PHE CA C 58.416 0.3 1 264 27 27 PHE CB C 38.489 0.3 1 265 27 27 PHE CD1 C 131.040 0.3 1 266 27 27 PHE CD2 C 131.040 0.3 1 267 27 27 PHE CE1 C 130.141 0.3 1 268 27 27 PHE CE2 C 130.141 0.3 1 269 27 27 PHE CZ C 129.944 0.3 1 270 27 27 PHE N N 124.886 0.3 1 271 28 28 SER H H 8.874 0.02 1 272 28 28 SER HA H 4.223 0.02 1 273 28 28 SER HB2 H 3.868 0.02 2 274 28 28 SER HB3 H 3.842 0.02 2 275 28 28 SER CA C 59.602 0.3 1 276 28 28 SER CB C 63.568 0.3 1 277 28 28 SER N N 116.897 0.3 1 278 29 29 ASP H H 7.216 0.02 1 279 29 29 ASP HA H 4.681 0.02 1 280 29 29 ASP HB2 H 2.969 0.02 2 281 29 29 ASP HB3 H 2.473 0.02 2 282 29 29 ASP CA C 53.229 0.3 1 283 29 29 ASP CB C 42.852 0.3 1 284 29 29 ASP N N 121.276 0.3 1 285 30 30 GLU H H 8.964 0.02 1 286 30 30 GLU HA H 3.926 0.02 1 287 30 30 GLU HB2 H 1.939 0.02 1 288 30 30 GLU HB3 H 1.939 0.02 1 289 30 30 GLU HG2 H 2.263 0.02 2 290 30 30 GLU HG3 H 2.190 0.02 2 291 30 30 GLU CA C 59.696 0.3 1 292 30 30 GLU CB C 29.504 0.3 1 293 30 30 GLU CG C 36.257 0.3 1 294 30 30 GLU N N 126.550 0.3 1 295 31 31 LYS H H 8.109 0.02 1 296 31 31 LYS HA H 3.909 0.02 1 297 31 31 LYS HB2 H 1.779 0.02 2 298 31 31 LYS HB3 H 1.642 0.02 2 299 31 31 LYS HG2 H 1.281 0.02 2 300 31 31 LYS HG3 H 1.093 0.02 2 301 31 31 LYS HD2 H 1.528 0.02 1 302 31 31 LYS HD3 H 1.528 0.02 1 303 31 31 LYS HE2 H 2.763 0.02 1 304 31 31 LYS HE3 H 2.763 0.02 1 305 31 31 LYS CA C 59.224 0.3 1 306 31 31 LYS CB C 31.480 0.3 1 307 31 31 LYS CG C 25.259 0.3 1 308 31 31 LYS CD C 28.971 0.3 1 309 31 31 LYS CE C 41.860 0.3 1 310 31 31 LYS N N 121.219 0.3 1 311 32 32 GLN H H 7.755 0.02 1 312 32 32 GLN HA H 3.682 0.02 1 313 32 32 GLN HB2 H 2.126 0.02 2 314 32 32 GLN HB3 H 1.521 0.02 2 315 32 32 GLN HG2 H 2.010 0.02 1 316 32 32 GLN HG3 H 2.010 0.02 1 317 32 32 GLN HE21 H 6.949 0.02 1 318 32 32 GLN HE22 H 6.706 0.02 1 319 32 32 GLN CA C 58.680 0.3 1 320 32 32 GLN CB C 30.175 0.3 1 321 32 32 GLN CG C 32.079 0.3 1 322 32 32 GLN N N 123.696 0.3 1 323 32 32 GLN NE2 N 114.696 0.3 1 324 33 33 GLN H H 8.253 0.02 1 325 33 33 GLN HA H 4.246 0.02 1 326 33 33 GLN HB2 H 2.478 0.02 2 327 33 33 GLN HB3 H 1.825 0.02 2 328 33 33 GLN HG2 H 2.479 0.02 2 329 33 33 GLN HG3 H 2.293 0.02 2 330 33 33 GLN HE21 H 9.025 0.02 1 331 33 33 GLN HE22 H 6.939 0.02 1 332 33 33 GLN CA C 58.453 0.3 1 333 33 33 GLN CB C 27.100 0.3 1 334 33 33 GLN CG C 32.063 0.3 1 335 33 33 GLN N N 116.886 0.3 1 336 33 33 GLN NE2 N 110.301 0.3 1 337 34 34 ALA H H 7.932 0.02 1 338 34 34 ALA HA H 3.996 0.02 1 339 34 34 ALA HB H 1.324 0.02 1 340 34 34 ALA CA C 55.159 0.3 1 341 34 34 ALA CB C 17.920 0.3 1 342 34 34 ALA N N 120.357 0.3 1 343 35 35 ARG H H 8.031 0.02 1 344 35 35 ARG HA H 3.678 0.02 1 345 35 35 ARG HB2 H 1.684 0.02 2 346 35 35 ARG HB3 H 1.136 0.02 2 347 35 35 ARG HG2 H 1.216 0.02 2 348 35 35 ARG HG3 H 0.393 0.02 2 349 35 35 ARG HD2 H 2.470 0.02 2 350 35 35 ARG HD3 H 2.210 0.02 2 351 35 35 ARG CA C 58.384 0.3 1 352 35 35 ARG CB C 30.983 0.3 1 353 35 35 ARG CG C 26.269 0.3 1 354 35 35 ARG CD C 43.047 0.3 1 355 35 35 ARG N N 119.381 0.3 1 356 36 36 PHE H H 7.944 0.02 1 357 36 36 PHE HA H 4.294 0.02 1 358 36 36 PHE HB2 H 3.225 0.02 1 359 36 36 PHE HB3 H 3.225 0.02 1 360 36 36 PHE HD1 H 7.082 0.02 1 361 36 36 PHE HD2 H 7.082 0.02 1 362 36 36 PHE HE1 H 6.831 0.02 1 363 36 36 PHE HE2 H 6.831 0.02 1 364 36 36 PHE HZ H 7.212 0.02 1 365 36 36 PHE CA C 61.546 0.3 1 366 36 36 PHE CB C 38.674 0.3 1 367 36 36 PHE CD1 C 131.284 0.3 1 368 36 36 PHE CD2 C 131.284 0.3 1 369 36 36 PHE CE1 C 130.141 0.3 1 370 36 36 PHE CE2 C 130.141 0.3 1 371 36 36 PHE CZ C 130.181 0.3 1 372 36 36 PHE N N 119.781 0.3 1 373 37 37 GLU H H 8.371 0.02 1 374 37 37 GLU HA H 3.110 0.02 1 375 37 37 GLU HB2 H 1.888 0.02 1 376 37 37 GLU HB3 H 1.888 0.02 1 377 37 37 GLU HG2 H 1.989 0.02 1 378 37 37 GLU HG3 H 1.989 0.02 1 379 37 37 GLU CA C 60.508 0.3 1 380 37 37 GLU CB C 28.601 0.3 1 381 37 37 GLU CG C 37.407 0.3 1 382 37 37 GLU N N 117.551 0.3 1 383 38 38 LEU H H 7.680 0.02 1 384 38 38 LEU HA H 3.868 0.02 1 385 38 38 LEU HB2 H 1.612 0.02 2 386 38 38 LEU HB3 H 1.224 0.02 2 387 38 38 LEU HG H 0.986 0.02 1 388 38 38 LEU HD1 H 0.435 0.02 2 389 38 38 LEU HD2 H 0.211 0.02 2 390 38 38 LEU CA C 57.389 0.3 1 391 38 38 LEU CB C 41.415 0.3 1 392 38 38 LEU CG C 26.794 0.3 1 393 38 38 LEU CD1 C 22.415 0.3 1 394 38 38 LEU CD2 C 24.991 0.3 1 395 38 38 LEU N N 120.840 0.3 1 396 39 39 GLY H H 8.394 0.02 1 397 39 39 GLY HA2 H 3.441 0.02 2 398 39 39 GLY HA3 H 3.281 0.02 2 399 39 39 GLY CA C 48.664 0.3 1 400 39 39 GLY N N 107.664 0.3 1 401 40 40 VAL H H 8.356 0.02 1 402 40 40 VAL HA H 3.051 0.02 1 403 40 40 VAL HB H 1.452 0.02 1 404 40 40 VAL HG1 H 0.719 0.02 2 405 40 40 VAL HG2 H 0.013 0.02 2 406 40 40 VAL CA C 67.737 0.3 1 407 40 40 VAL CB C 30.904 0.3 1 408 40 40 VAL CG1 C 22.683 0.3 1 409 40 40 VAL CG2 C 24.259 0.3 1 410 40 40 VAL N N 119.840 0.3 1 411 41 41 SER H H 7.305 0.02 1 412 41 41 SER HA H 3.954 0.02 1 413 41 41 SER HB2 H 3.743 0.02 1 414 41 41 SER HB3 H 3.743 0.02 1 415 41 41 SER CA C 61.069 0.3 1 416 41 41 SER CB C 62.700 0.3 1 417 41 41 SER N N 111.395 0.3 1 418 42 42 MET H H 8.185 0.02 1 419 42 42 MET HA H 4.045 0.02 1 420 42 42 MET HB2 H 2.197 0.02 2 421 42 42 MET HB3 H 1.562 0.02 2 422 42 42 MET HG2 H 2.474 0.02 2 423 42 42 MET HG3 H 2.337 0.02 2 424 42 42 MET HE H 0.804 0.02 1 425 42 42 MET CA C 56.546 0.3 1 426 42 42 MET CB C 36.183 0.3 1 427 42 42 MET CG C 31.886 0.3 1 428 42 42 MET CE C 19.242 0.3 1 429 42 42 MET N N 114.783 0.3 1 430 43 43 VAL H H 8.032 0.02 1 431 43 43 VAL HA H 3.509 0.02 1 432 43 43 VAL HB H 1.993 0.02 1 433 43 43 VAL HG1 H 0.891 0.02 2 434 43 43 VAL HG2 H 0.835 0.02 2 435 43 43 VAL CA C 66.721 0.3 1 436 43 43 VAL CB C 31.592 0.3 1 437 43 43 VAL CG1 C 23.658 0.3 1 438 43 43 VAL CG2 C 23.516 0.3 1 439 43 43 VAL N N 119.590 0.3 1 440 44 44 ILE H H 8.267 0.02 1 441 44 44 ILE HA H 3.715 0.02 1 442 44 44 ILE HB H 2.190 0.02 1 443 44 44 ILE HG12 H 1.389 0.02 2 444 44 44 ILE HG13 H 1.366 0.02 2 445 44 44 ILE HG2 H 0.789 0.02 1 446 44 44 ILE HD1 H 0.595 0.02 1 447 44 44 ILE CA C 63.863 0.3 1 448 44 44 ILE CB C 35.677 0.3 1 449 44 44 ILE CG1 C 29.189 0.3 1 450 44 44 ILE CG2 C 18.071 0.3 1 451 44 44 ILE CD1 C 11.339 0.3 1 452 44 44 ILE N N 121.217 0.3 1 453 45 45 TYR H H 8.681 0.02 1 454 45 45 TYR HA H 4.099 0.02 1 455 45 45 TYR HB2 H 3.036 0.02 2 456 45 45 TYR HB3 H 2.990 0.02 2 457 45 45 TYR HD1 H 7.074 0.02 1 458 45 45 TYR HD2 H 7.074 0.02 1 459 45 45 TYR HE1 H 6.607 0.02 1 460 45 45 TYR HE2 H 6.607 0.02 1 461 45 45 TYR CA C 61.362 0.3 1 462 45 45 TYR CB C 37.988 0.3 1 463 45 45 TYR CD1 C 132.466 0.3 1 464 45 45 TYR CD2 C 132.466 0.3 1 465 45 45 TYR CE1 C 117.759 0.3 1 466 45 45 TYR CE2 C 117.759 0.3 1 467 45 45 TYR N N 119.836 0.3 1 468 46 46 LYS H H 7.537 0.02 1 469 46 46 LYS HA H 4.325 0.02 1 470 46 46 LYS HB2 H 2.014 0.02 1 471 46 46 LYS HB3 H 2.014 0.02 1 472 46 46 LYS HG2 H 1.754 0.02 2 473 46 46 LYS HG3 H 1.531 0.02 2 474 46 46 LYS HD2 H 1.659 0.02 2 475 46 46 LYS HD3 H 1.615 0.02 2 476 46 46 LYS HE2 H 2.908 0.02 1 477 46 46 LYS HE3 H 2.908 0.02 1 478 46 46 LYS CA C 56.604 0.3 1 479 46 46 LYS CB C 31.967 0.3 1 480 46 46 LYS CG C 24.830 0.3 1 481 46 46 LYS CD C 29.322 0.3 1 482 46 46 LYS CE C 41.508 0.3 1 483 46 46 LYS N N 117.143 0.3 1 484 47 47 TRP H H 7.613 0.02 1 485 47 47 TRP HA H 4.939 0.02 1 486 47 47 TRP HB2 H 3.717 0.02 2 487 47 47 TRP HB3 H 2.860 0.02 2 488 47 47 TRP HD1 H 7.433 0.02 1 489 47 47 TRP HE1 H 10.327 0.02 1 490 47 47 TRP HE3 H 7.343 0.02 1 491 47 47 TRP HZ2 H 7.111 0.02 1 492 47 47 TRP HZ3 H 6.833 0.02 1 493 47 47 TRP HH2 H 6.870 0.02 1 494 47 47 TRP CA C 54.657 0.3 1 495 47 47 TRP CB C 28.932 0.3 1 496 47 47 TRP CD1 C 124.695 0.3 1 497 47 47 TRP CE3 C 121.025 0.3 1 498 47 47 TRP CZ2 C 113.355 0.3 1 499 47 47 TRP CZ3 C 121.911 0.3 1 500 47 47 TRP CH2 C 124.356 0.3 1 501 47 47 TRP N N 120.601 0.3 1 502 47 47 TRP NE1 N 128.526 0.3 1 503 48 48 ASP H H 9.246 0.02 1 504 48 48 ASP HA H 4.215 0.02 1 505 48 48 ASP HB2 H 2.672 0.02 2 506 48 48 ASP HB3 H 2.590 0.02 2 507 48 48 ASP CA C 58.522 0.3 1 508 48 48 ASP CB C 40.546 0.3 1 509 48 48 ASP N N 134.600 0.3 1 510 49 49 ALA H H 7.640 0.02 1 511 49 49 ALA HA H 3.591 0.02 1 512 49 49 ALA HB H 0.629 0.02 1 513 49 49 ALA CA C 54.506 0.3 1 514 49 49 ALA CB C 17.711 0.3 1 515 49 49 ALA N N 119.368 0.3 1 516 50 50 LEU H H 5.119 0.02 1 517 50 50 LEU HA H 3.306 0.02 1 518 50 50 LEU HB2 H 1.482 0.02 2 519 50 50 LEU HB3 H 0.717 0.02 2 520 50 50 LEU HG H 0.904 0.02 1 521 50 50 LEU HD1 H 0.303 0.02 2 522 50 50 LEU HD2 H 1.003 0.02 2 523 50 50 LEU CA C 55.511 0.3 1 524 50 50 LEU CB C 41.119 0.3 1 525 50 50 LEU CG C 27.556 0.3 1 526 50 50 LEU CD1 C 23.873 0.3 1 527 50 50 LEU CD2 C 27.141 0.3 1 528 50 50 LEU N N 114.516 0.3 1 529 51 51 ASP H H 7.604 0.02 1 530 51 51 ASP HA H 3.968 0.02 1 531 51 51 ASP HB2 H 2.580 0.02 2 532 51 51 ASP HB3 H 2.435 0.02 2 533 51 51 ASP CA C 58.432 0.3 1 534 51 51 ASP CB C 42.708 0.3 1 535 51 51 ASP N N 120.919 0.3 1 536 52 52 VAL H H 8.107 0.02 1 537 52 52 VAL HA H 3.188 0.02 1 538 52 52 VAL HB H 1.541 0.02 1 539 52 52 VAL HG1 H 0.741 0.02 2 540 52 52 VAL HG2 H 0.378 0.02 2 541 52 52 VAL CA C 65.728 0.3 1 542 52 52 VAL CB C 31.856 0.3 1 543 52 52 VAL CG1 C 22.671 0.3 1 544 52 52 VAL CG2 C 21.113 0.3 1 545 52 52 VAL N N 117.171 0.3 1 546 53 53 ALA H H 6.527 0.02 1 547 53 53 ALA HA H 3.111 0.02 1 548 53 53 ALA HB H 0.853 0.02 1 549 53 53 ALA CA C 54.185 0.3 1 550 53 53 ALA CB C 18.262 0.3 1 551 53 53 ALA N N 121.796 0.3 1 552 54 54 VAL H H 7.914 0.02 1 553 54 54 VAL HA H 3.445 0.02 1 554 54 54 VAL HB H 1.915 0.02 1 555 54 54 VAL HG1 H 0.696 0.02 2 556 54 54 VAL HG2 H 0.669 0.02 2 557 54 54 VAL CA C 66.493 0.3 1 558 54 54 VAL CB C 31.562 0.3 1 559 54 54 VAL CG1 C 23.122 0.3 1 560 54 54 VAL CG2 C 21.321 0.3 1 561 54 54 VAL N N 117.178 0.3 1 562 55 55 GLU H H 8.645 0.02 1 563 55 55 GLU HA H 3.761 0.02 1 564 55 55 GLU HB2 H 1.796 0.02 1 565 55 55 GLU HB3 H 1.796 0.02 1 566 55 55 GLU HG2 H 2.087 0.02 1 567 55 55 GLU HG3 H 2.087 0.02 1 568 55 55 GLU CA C 58.876 0.3 1 569 55 55 GLU CB C 29.264 0.3 1 570 55 55 GLU CG C 36.116 0.3 1 571 55 55 GLU N N 121.321 0.3 1 572 56 56 ASN H H 7.339 0.02 1 573 56 56 ASN HA H 4.501 0.02 1 574 56 56 ASN HB2 H 2.457 0.02 2 575 56 56 ASN HB3 H 1.382 0.02 2 576 56 56 ASN HD21 H 6.980 0.02 1 577 56 56 ASN HD22 H 6.547 0.02 1 578 56 56 ASN CA C 53.088 0.3 1 579 56 56 ASN CB C 38.638 0.3 1 580 56 56 ASN N N 113.495 0.3 1 581 56 56 ASN ND2 N 115.069 0.3 1 582 57 57 SER H H 7.942 0.02 1 583 57 57 SER HA H 4.181 0.02 1 584 57 57 SER HB2 H 3.921 0.02 1 585 57 57 SER HB3 H 3.921 0.02 1 586 57 57 SER CA C 58.901 0.3 1 587 57 57 SER CB C 60.961 0.3 1 588 57 57 SER N N 113.104 0.3 1 589 58 58 TRP H H 9.143 0.02 1 590 58 58 TRP HA H 4.732 0.02 1 591 58 58 TRP HB2 H 3.558 0.02 2 592 58 58 TRP HB3 H 3.182 0.02 2 593 58 58 TRP HD1 H 6.915 0.02 1 594 58 58 TRP HE1 H 10.172 0.02 1 595 58 58 TRP HE3 H 7.379 0.02 1 596 58 58 TRP HZ2 H 7.257 0.02 1 597 58 58 TRP HZ3 H 6.940 0.02 1 598 58 58 TRP HH2 H 7.021 0.02 1 599 58 58 TRP CA C 57.425 0.3 1 600 58 58 TRP CB C 28.777 0.3 1 601 58 58 TRP CD1 C 124.365 0.3 1 602 58 58 TRP CE3 C 120.356 0.3 1 603 58 58 TRP CZ2 C 114.141 0.3 1 604 58 58 TRP CZ3 C 121.748 0.3 1 605 58 58 TRP CH2 C 125.068 0.3 1 606 58 58 TRP N N 120.509 0.3 1 607 58 58 TRP NE1 N 128.235 0.3 1 608 59 59 GLY H H 7.787 0.02 1 609 59 59 GLY HA2 H 4.420 0.02 2 610 59 59 GLY HA3 H 2.933 0.02 2 611 59 59 GLY CA C 45.263 0.3 1 612 59 59 GLY N N 104.628 0.3 1 613 60 60 GLY H H 7.463 0.02 1 614 60 60 GLY HA2 H 4.534 0.02 2 615 60 60 GLY HA3 H 3.884 0.02 2 616 60 60 GLY CA C 44.226 0.3 1 617 60 60 GLY N N 105.984 0.3 1 618 61 61 PRO HA H 4.404 0.02 1 619 61 61 PRO HB2 H 2.300 0.02 2 620 61 61 PRO HB3 H 1.902 0.02 2 621 61 61 PRO HG2 H 1.955 0.02 1 622 61 61 PRO HG3 H 1.955 0.02 1 623 61 61 PRO HD2 H 3.766 0.02 2 624 61 61 PRO HD3 H 3.559 0.02 2 625 61 61 PRO CA C 64.877 0.3 1 626 61 61 PRO CB C 31.882 0.3 1 627 61 61 PRO CG C 27.183 0.3 1 628 61 61 PRO CD C 50.047 0.3 1 629 62 62 ASP H H 8.728 0.02 1 630 62 62 ASP HA H 4.971 0.02 1 631 62 62 ASP HB2 H 2.621 0.02 1 632 62 62 ASP HB3 H 2.621 0.02 1 633 62 62 ASP CA C 53.123 0.3 1 634 62 62 ASP CB C 39.052 0.3 1 635 62 62 ASP N N 116.995 0.3 1 636 63 63 SER H H 7.528 0.02 1 637 63 63 SER HA H 3.752 0.02 1 638 63 63 SER HB2 H 4.261 0.02 2 639 63 63 SER HB3 H 3.907 0.02 2 640 63 63 SER CA C 64.794 0.3 1 641 63 63 SER CB C 65.088 0.3 1 642 63 63 SER N N 115.109 0.3 1 643 64 64 ALA H H 8.892 0.02 1 644 64 64 ALA HA H 3.929 0.02 1 645 64 64 ALA HB H 1.343 0.02 1 646 64 64 ALA CA C 55.886 0.3 1 647 64 64 ALA CB C 17.420 0.3 1 648 64 64 ALA N N 122.635 0.3 1 649 65 65 GLU H H 8.132 0.02 1 650 65 65 GLU HA H 4.025 0.02 1 651 65 65 GLU HB2 H 2.042 0.02 2 652 65 65 GLU HB3 H 1.856 0.02 2 653 65 65 GLU HG2 H 2.295 0.02 2 654 65 65 GLU HG3 H 2.234 0.02 2 655 65 65 GLU CA C 59.717 0.3 1 656 65 65 GLU CB C 28.599 0.3 1 657 65 65 GLU CG C 36.952 0.3 1 658 65 65 GLU N N 120.789 0.3 1 659 66 66 LYS H H 7.933 0.02 1 660 66 66 LYS HA H 3.770 0.02 1 661 66 66 LYS HB2 H 1.902 0.02 2 662 66 66 LYS HB3 H 1.393 0.02 2 663 66 66 LYS HG2 H 1.125 0.02 2 664 66 66 LYS HG3 H 0.881 0.02 2 665 66 66 LYS HD2 H 0.896 0.02 2 666 66 66 LYS HD3 H 0.817 0.02 2 667 66 66 LYS HE2 H 2.704 0.02 1 668 66 66 LYS HE3 H 2.704 0.02 1 669 66 66 LYS CA C 59.575 0.3 1 670 66 66 LYS CB C 33.559 0.3 1 671 66 66 LYS CG C 26.342 0.3 1 672 66 66 LYS CD C 29.603 0.3 1 673 66 66 LYS CE C 42.234 0.3 1 674 66 66 LYS N N 119.514 0.3 1 675 67 67 ARG H H 7.509 0.02 1 676 67 67 ARG HA H 4.126 0.02 1 677 67 67 ARG HD2 H 2.547 0.02 2 678 67 67 ARG HD3 H 2.224 0.02 2 679 67 67 ARG HE H 7.430 0.02 1 680 67 67 ARG CA C 59.851 0.3 1 681 67 67 ARG CB C 29.204 0.3 1 682 67 67 ARG CG C 27.117 0.3 1 683 67 67 ARG CD C 44.110 0.3 1 684 67 67 ARG N N 118.633 0.3 1 685 67 67 ARG NE N 81.738 0.3 1 686 68 68 ASP H H 7.147 0.02 1 687 68 68 ASP HA H 4.616 0.02 1 688 68 68 ASP HB2 H 2.780 0.02 2 689 68 68 ASP HB3 H 2.699 0.02 2 690 68 68 ASP CA C 57.609 0.3 1 691 68 68 ASP CB C 39.572 0.3 1 692 68 68 ASP N N 118.382 0.3 1 693 69 69 TRP H H 8.474 0.02 1 694 69 69 TRP HA H 4.390 0.02 1 695 69 69 TRP HB2 H 3.558 0.02 2 696 69 69 TRP HB3 H 3.385 0.02 2 697 69 69 TRP HD1 H 7.037 0.02 1 698 69 69 TRP HE1 H 10.124 0.02 1 699 69 69 TRP HE3 H 7.522 0.02 1 700 69 69 TRP HZ2 H 7.359 0.02 1 701 69 69 TRP HZ3 H 6.944 0.02 1 702 69 69 TRP HH2 H 7.148 0.02 1 703 69 69 TRP CA C 59.986 0.3 1 704 69 69 TRP CB C 28.145 0.3 1 705 69 69 TRP CD1 C 126.511 0.3 1 706 69 69 TRP CE3 C 120.330 0.3 1 707 69 69 TRP CZ2 C 114.535 0.3 1 708 69 69 TRP CZ3 C 121.869 0.3 1 709 69 69 TRP CH2 C 124.685 0.3 1 710 69 69 TRP N N 123.910 0.3 1 711 69 69 TRP NE1 N 129.113 0.3 1 712 70 70 ILE H H 8.052 0.02 1 713 70 70 ILE HA H 3.455 0.02 1 714 70 70 ILE HB H 1.822 0.02 1 715 70 70 ILE HG12 H 2.415 0.02 2 716 70 70 ILE HG13 H 1.012 0.02 2 717 70 70 ILE HG2 H 0.856 0.02 1 718 70 70 ILE HD1 H 1.008 0.02 1 719 70 70 ILE CA C 66.112 0.3 1 720 70 70 ILE CB C 37.378 0.3 1 721 70 70 ILE CG1 C 30.160 0.3 1 722 70 70 ILE CG2 C 17.411 0.3 1 723 70 70 ILE CD1 C 14.381 0.3 1 724 70 70 ILE N N 120.775 0.3 1 725 71 71 THR H H 7.830 0.02 1 726 71 71 THR HA H 4.323 0.02 1 727 71 71 THR HB H 3.510 0.02 1 728 71 71 THR HG2 H 0.931 0.02 1 729 71 71 THR CA C 67.694 0.3 1 730 71 71 THR CB C 66.919 0.3 1 731 71 71 THR CG2 C 22.684 0.3 1 732 71 71 THR N N 116.117 0.3 1 733 72 72 GLY H H 7.527 0.02 1 734 72 72 GLY HA2 H 3.764 0.02 2 735 72 72 GLY HA3 H 3.590 0.02 2 736 72 72 GLY CA C 47.471 0.3 1 737 72 72 GLY N N 106.199 0.3 1 738 73 73 ILE H H 7.726 0.02 1 739 73 73 ILE HA H 3.798 0.02 1 740 73 73 ILE HB H 1.820 0.02 1 741 73 73 ILE HG12 H 1.154 0.02 2 742 73 73 ILE HG13 H 1.056 0.02 2 743 73 73 ILE HG2 H 0.523 0.02 1 744 73 73 ILE HD1 H 0.598 0.02 1 745 73 73 ILE CA C 64.621 0.3 1 746 73 73 ILE CB C 37.454 0.3 1 747 73 73 ILE CG1 C 27.272 0.3 1 748 73 73 ILE CG2 C 17.422 0.3 1 749 73 73 ILE CD1 C 13.653 0.3 1 750 73 73 ILE N N 119.844 0.3 1 751 74 74 VAL H H 7.623 0.02 1 752 74 74 VAL HA H 3.605 0.02 1 753 74 74 VAL HB H 2.186 0.02 1 754 74 74 VAL HG1 H 0.980 0.02 2 755 74 74 VAL HG2 H 0.894 0.02 2 756 74 74 VAL CA C 66.952 0.3 1 757 74 74 VAL CB C 30.890 0.3 1 758 74 74 VAL CG1 C 23.305 0.3 1 759 74 74 VAL CG2 C 23.551 0.3 1 760 74 74 VAL N N 121.047 0.3 1 761 75 75 VAL H H 8.482 0.02 1 762 75 75 VAL HA H 3.600 0.02 1 763 75 75 VAL HB H 2.190 0.02 1 764 75 75 VAL HG1 H 0.899 0.02 2 765 75 75 VAL HG2 H 0.835 0.02 2 766 75 75 VAL CA C 67.939 0.3 1 767 75 75 VAL CB C 31.723 0.3 1 768 75 75 VAL CG1 C 22.092 0.3 1 769 75 75 VAL CG2 C 23.349 0.3 1 770 75 75 VAL N N 119.626 0.3 1 771 76 76 ASP H H 8.506 0.02 1 772 76 76 ASP HA H 4.349 0.02 1 773 76 76 ASP HB2 H 2.724 0.02 2 774 76 76 ASP HB3 H 2.400 0.02 2 775 76 76 ASP CA C 57.241 0.3 1 776 76 76 ASP CB C 40.025 0.3 1 777 76 76 ASP N N 119.128 0.3 1 778 77 77 LEU H H 7.609 0.02 1 779 77 77 LEU HA H 3.970 0.02 1 780 77 77 LEU HB2 H 1.956 0.02 2 781 77 77 LEU HB3 H 0.925 0.02 2 782 77 77 LEU HG H 0.772 0.02 1 783 77 77 LEU HD1 H 0.742 0.02 2 784 77 77 LEU HD2 H 2.062 0.02 2 785 77 77 LEU CA C 58.331 0.3 1 786 77 77 LEU CB C 42.355 0.3 1 787 77 77 LEU CG C 26.424 0.3 1 788 77 77 LEU CD1 C 22.325 0.3 1 789 77 77 LEU CD2 C 25.882 0.3 1 790 77 77 LEU N N 120.162 0.3 1 791 78 78 PHE H H 7.269 0.02 1 792 78 78 PHE HA H 3.731 0.02 1 793 78 78 PHE HB2 H 3.209 0.02 2 794 78 78 PHE HB3 H 2.700 0.02 2 795 78 78 PHE HD1 H 7.242 0.02 1 796 78 78 PHE HD2 H 7.242 0.02 1 797 78 78 PHE HE1 H 6.652 0.02 1 798 78 78 PHE HE2 H 6.652 0.02 1 799 78 78 PHE HZ H 6.792 0.02 1 800 78 78 PHE CA C 60.266 0.3 1 801 78 78 PHE CB C 38.934 0.3 1 802 78 78 PHE CD1 C 133.121 0.3 1 803 78 78 PHE CD2 C 133.121 0.3 1 804 78 78 PHE CE1 C 130.200 0.3 1 805 78 78 PHE CE2 C 130.200 0.3 1 806 78 78 PHE CZ C 128.706 0.3 1 807 78 78 PHE N N 113.292 0.3 1 808 79 79 LYS H H 7.359 0.02 1 809 79 79 LYS HA H 3.844 0.02 1 810 79 79 LYS HB2 H 1.794 0.02 1 811 79 79 LYS HB3 H 1.794 0.02 1 812 79 79 LYS HG2 H 1.624 0.02 2 813 79 79 LYS HG3 H 1.183 0.02 2 814 79 79 LYS HD2 H 1.678 0.02 2 815 79 79 LYS HD3 H 1.596 0.02 2 816 79 79 LYS HE2 H 2.788 0.02 2 817 79 79 LYS HE3 H 2.691 0.02 2 818 79 79 LYS CA C 58.750 0.3 1 819 79 79 LYS CB C 33.039 0.3 1 820 79 79 LYS CG C 26.541 0.3 1 821 79 79 LYS CD C 29.749 0.3 1 822 79 79 LYS CE C 42.378 0.3 1 823 79 79 LYS N N 114.302 0.3 1 824 80 80 ASN H H 7.466 0.02 1 825 80 80 ASN HA H 4.783 0.02 1 826 80 80 ASN HB2 H 2.691 0.02 2 827 80 80 ASN HB3 H 2.600 0.02 2 828 80 80 ASN HD21 H 7.723 0.02 1 829 80 80 ASN HD22 H 6.903 0.02 1 830 80 80 ASN CA C 53.907 0.3 1 831 80 80 ASN CB C 41.542 0.3 1 832 80 80 ASN N N 112.652 0.3 1 833 80 80 ASN ND2 N 114.731 0.3 1 834 81 81 GLU H H 7.599 0.02 1 835 81 81 GLU HA H 4.567 0.02 1 836 81 81 GLU HB2 H 1.522 0.02 1 837 81 81 GLU HB3 H 1.522 0.02 1 838 81 81 GLU HG2 H 2.234 0.02 2 839 81 81 GLU HG3 H 1.974 0.02 2 840 81 81 GLU CA C 54.402 0.3 1 841 81 81 GLU CB C 31.786 0.3 1 842 81 81 GLU CG C 35.267 0.3 1 843 81 81 GLU N N 118.462 0.3 1 844 82 82 LYS H H 8.280 0.02 1 845 82 82 LYS HA H 3.833 0.02 1 846 82 82 LYS HB2 H 1.620 0.02 2 847 82 82 LYS HB3 H 1.584 0.02 2 848 82 82 LYS HG2 H 1.255 0.02 2 849 82 82 LYS HG3 H 1.150 0.02 2 850 82 82 LYS HD2 H 1.538 0.02 1 851 82 82 LYS HD3 H 1.538 0.02 1 852 82 82 LYS HE2 H 2.855 0.02 1 853 82 82 LYS HE3 H 2.855 0.02 1 854 82 82 LYS CA C 56.795 0.3 1 855 82 82 LYS CB C 33.782 0.3 1 856 82 82 LYS CG C 25.234 0.3 1 857 82 82 LYS CD C 29.564 0.3 1 858 82 82 LYS CE C 41.911 0.3 1 859 82 82 LYS N N 114.520 0.3 1 860 83 83 VAL H H 7.206 0.02 1 861 83 83 VAL HA H 4.627 0.02 1 862 83 83 VAL HB H 1.735 0.02 1 863 83 83 VAL HG1 H 0.758 0.02 2 864 83 83 VAL HG2 H 0.652 0.02 2 865 83 83 VAL CA C 60.992 0.3 1 866 83 83 VAL CB C 34.922 0.3 1 867 83 83 VAL CG1 C 21.377 0.3 1 868 83 83 VAL CG2 C 20.388 0.3 1 869 83 83 VAL N N 117.175 0.3 1 870 84 84 VAL H H 7.996 0.02 1 871 84 84 VAL HA H 3.771 0.02 1 872 84 84 VAL HB H 0.884 0.02 1 873 84 84 VAL HG1 H 0.211 0.02 2 874 84 84 VAL HG2 H -0.239 0.02 2 875 84 84 VAL CA C 61.940 0.3 1 876 84 84 VAL CB C 35.146 0.3 1 877 84 84 VAL CG1 C 22.349 0.3 1 878 84 84 VAL CG2 C 21.896 0.3 1 879 84 84 VAL N N 124.474 0.3 1 880 85 85 ASP H H 7.067 0.02 1 881 85 85 ASP HA H 5.198 0.02 1 882 85 85 ASP HB2 H 3.056 0.02 2 883 85 85 ASP HB3 H 2.482 0.02 2 884 85 85 ASP CA C 50.671 0.3 1 885 85 85 ASP CB C 44.067 0.3 1 886 85 85 ASP N N 122.241 0.3 1 887 86 86 ALA H H 8.366 0.02 1 888 86 86 ALA HA H 3.678 0.02 1 889 86 86 ALA HB H 1.246 0.02 1 890 86 86 ALA CA C 55.360 0.3 1 891 86 86 ALA CB C 18.033 0.3 1 892 86 86 ALA N N 120.885 0.3 1 893 87 87 ALA H H 7.970 0.02 1 894 87 87 ALA HA H 4.007 0.02 1 895 87 87 ALA HB H 1.316 0.02 1 896 87 87 ALA CA C 55.118 0.3 1 897 87 87 ALA CB C 17.868 0.3 1 898 87 87 ALA N N 118.797 0.3 1 899 88 88 LEU H H 8.035 0.02 1 900 88 88 LEU HA H 4.176 0.02 1 901 88 88 LEU HB2 H 1.834 0.02 2 902 88 88 LEU HB3 H 1.739 0.02 2 903 88 88 LEU HG H 1.355 0.02 1 904 88 88 LEU HD1 H 0.837 0.02 2 905 88 88 LEU HD2 H 0.883 0.02 2 906 88 88 LEU CA C 57.696 0.3 1 907 88 88 LEU CB C 41.789 0.3 1 908 88 88 LEU CG C 27.123 0.3 1 909 88 88 LEU CD1 C 22.051 0.3 1 910 88 88 LEU CD2 C 26.730 0.3 1 911 88 88 LEU N N 120.540 0.3 1 912 89 89 ILE H H 7.582 0.02 1 913 89 89 ILE HA H 3.270 0.02 1 914 89 89 ILE HB H 1.812 0.02 1 915 89 89 ILE HG12 H 0.617 0.02 1 916 89 89 ILE HG13 H 0.617 0.02 1 917 89 89 ILE HG2 H 0.767 0.02 1 918 89 89 ILE HD1 H 0.852 0.02 1 919 89 89 ILE CA C 66.166 0.3 1 920 89 89 ILE CB C 37.836 0.3 1 921 89 89 ILE CG1 C 28.597 0.3 1 922 89 89 ILE CG2 C 17.597 0.3 1 923 89 89 ILE CD1 C 14.697 0.3 1 924 89 89 ILE N N 120.241 0.3 1 925 90 90 GLU H H 8.873 0.02 1 926 90 90 GLU HA H 3.395 0.02 1 927 90 90 GLU HB2 H 2.247 0.02 2 928 90 90 GLU HB3 H 1.623 0.02 2 929 90 90 GLU HG2 H 1.962 0.02 2 930 90 90 GLU HG3 H 1.796 0.02 2 931 90 90 GLU CA C 60.382 0.3 1 932 90 90 GLU CB C 29.530 0.3 1 933 90 90 GLU CG C 35.474 0.3 1 934 90 90 GLU N N 120.659 0.3 1 935 91 91 GLU H H 8.278 0.02 1 936 91 91 GLU HA H 3.788 0.02 1 937 91 91 GLU HB2 H 2.033 0.02 1 938 91 91 GLU HB3 H 2.033 0.02 1 939 91 91 GLU HG2 H 2.149 0.02 1 940 91 91 GLU HG3 H 2.149 0.02 1 941 91 91 GLU CA C 59.685 0.3 1 942 91 91 GLU CB C 29.613 0.3 1 943 91 91 GLU CG C 36.363 0.3 1 944 91 91 GLU N N 117.067 0.3 1 945 92 92 THR H H 7.684 0.02 1 946 92 92 THR HA H 3.851 0.02 1 947 92 92 THR HB H 4.366 0.02 1 948 92 92 THR HG2 H 1.079 0.02 1 949 92 92 THR CA C 67.310 0.3 1 950 92 92 THR CB C 68.549 0.3 1 951 92 92 THR CG2 C 21.043 0.3 1 952 92 92 THR N N 115.933 0.3 1 953 93 93 LEU H H 8.331 0.02 1 954 93 93 LEU HA H 3.922 0.02 1 955 93 93 LEU HB2 H 1.830 0.02 2 956 93 93 LEU HB3 H 1.422 0.02 2 957 93 93 LEU HG H 1.639 0.02 1 958 93 93 LEU HD1 H 0.611 0.02 2 959 93 93 LEU HD2 H 0.213 0.02 2 960 93 93 LEU CA C 58.316 0.3 1 961 93 93 LEU CB C 41.440 0.3 1 962 93 93 LEU CG C 26.288 0.3 1 963 93 93 LEU CD1 C 22.686 0.3 1 964 93 93 LEU CD2 C 26.061 0.3 1 965 93 93 LEU N N 121.667 0.3 1 966 94 94 LEU H H 8.449 0.02 1 967 94 94 LEU HA H 4.164 0.02 1 968 94 94 LEU HB2 H 1.853 0.02 2 969 94 94 LEU HB3 H 1.436 0.02 2 970 94 94 LEU HG H 1.842 0.02 1 971 94 94 LEU HD1 H 0.839 0.02 2 972 94 94 LEU HD2 H 1.067 0.02 2 973 94 94 LEU CA C 58.320 0.3 1 974 94 94 LEU CB C 41.420 0.3 1 975 94 94 LEU CG C 26.726 0.3 1 976 94 94 LEU CD1 C 25.381 0.3 1 977 94 94 LEU CD2 C 22.684 0.3 1 978 94 94 LEU N N 118.184 0.3 1 979 95 95 TYR H H 8.536 0.02 1 980 95 95 TYR HA H 4.362 0.02 1 981 95 95 TYR HB2 H 3.160 0.02 2 982 95 95 TYR HB3 H 3.137 0.02 2 983 95 95 TYR HD1 H 7.146 0.02 1 984 95 95 TYR HD2 H 7.146 0.02 1 985 95 95 TYR HE1 H 6.735 0.02 1 986 95 95 TYR HE2 H 6.735 0.02 1 987 95 95 TYR CA C 60.709 0.3 1 988 95 95 TYR CB C 37.000 0.3 1 989 95 95 TYR CD1 C 132.732 0.3 1 990 95 95 TYR CD2 C 132.732 0.3 1 991 95 95 TYR CE1 C 117.848 0.3 1 992 95 95 TYR CE2 C 117.848 0.3 1 993 95 95 TYR N N 118.776 0.3 1 994 96 96 ALA H H 8.114 0.02 1 995 96 96 ALA HA H 4.412 0.02 1 996 96 96 ALA HB H 1.670 0.02 1 997 96 96 ALA CA C 55.405 0.3 1 998 96 96 ALA CB C 18.738 0.3 1 999 96 96 ALA N N 121.644 0.3 1 1000 97 97 MET H H 8.006 0.02 1 1001 97 97 MET HA H 4.575 0.02 1 1002 97 97 MET HB2 H 2.426 0.02 2 1003 97 97 MET HB3 H 2.099 0.02 2 1004 97 97 MET HG2 H 2.712 0.02 2 1005 97 97 MET HG3 H 2.419 0.02 2 1006 97 97 MET HE H 1.024 0.02 1 1007 97 97 MET CA C 57.759 0.3 1 1008 97 97 MET CB C 30.423 0.3 1 1009 97 97 MET CG C 33.981 0.3 1 1010 97 97 MET CE C 14.706 0.3 1 1011 97 97 MET N N 115.884 0.3 1 1012 98 98 ILE H H 7.569 0.02 1 1013 98 98 ILE HA H 3.523 0.02 1 1014 98 98 ILE HB H 1.870 0.02 1 1015 98 98 ILE HG12 H 1.707 0.02 2 1016 98 98 ILE HG13 H 0.909 0.02 2 1017 98 98 ILE HG2 H 0.806 0.02 1 1018 98 98 ILE HD1 H 0.715 0.02 1 1019 98 98 ILE CA C 65.245 0.3 1 1020 98 98 ILE CB C 38.526 0.3 1 1021 98 98 ILE CG1 C 28.950 0.3 1 1022 98 98 ILE CG2 C 17.158 0.3 1 1023 98 98 ILE CD1 C 13.258 0.3 1 1024 98 98 ILE N N 122.089 0.3 1 1025 99 99 ASP H H 8.606 0.02 1 1026 99 99 ASP HA H 4.265 0.02 1 1027 99 99 ASP HB2 H 2.568 0.02 1 1028 99 99 ASP HB3 H 2.568 0.02 1 1029 99 99 ASP CA C 57.656 0.3 1 1030 99 99 ASP CB C 41.620 0.3 1 1031 99 99 ASP N N 120.304 0.3 1 1032 100 100 GLU H H 8.661 0.02 1 1033 100 100 GLU HA H 4.354 0.02 1 1034 100 100 GLU HB2 H 1.956 0.02 2 1035 100 100 GLU HB3 H 1.483 0.02 2 1036 100 100 GLU HG2 H 2.304 0.02 2 1037 100 100 GLU HG3 H 2.113 0.02 2 1038 100 100 GLU CA C 56.368 0.3 1 1039 100 100 GLU CB C 30.306 0.3 1 1040 100 100 GLU CG C 34.462 0.3 1 1041 100 100 GLU N N 111.948 0.3 1 1042 101 101 PHE H H 7.252 0.02 1 1043 101 101 PHE HA H 4.512 0.02 1 1044 101 101 PHE HB2 H 3.275 0.02 2 1045 101 101 PHE HB3 H 3.129 0.02 2 1046 101 101 PHE HD1 H 7.059 0.02 1 1047 101 101 PHE HD2 H 7.059 0.02 1 1048 101 101 PHE HE1 H 6.826 0.02 1 1049 101 101 PHE HE2 H 6.826 0.02 1 1050 101 101 PHE CA C 57.995 0.3 1 1051 101 101 PHE CB C 40.493 0.3 1 1052 101 101 PHE CD1 C 132.004 0.3 1 1053 101 101 PHE CD2 C 132.004 0.3 1 1054 101 101 PHE CE1 C 129.820 0.3 1 1055 101 101 PHE CE2 C 129.820 0.3 1 1056 101 101 PHE N N 112.469 0.3 1 1057 102 102 GLU H H 7.586 0.02 1 1058 102 102 GLU HA H 4.152 0.02 1 1059 102 102 GLU HB2 H 2.110 0.02 2 1060 102 102 GLU HB3 H 1.944 0.02 2 1061 102 102 GLU HG2 H 2.087 0.02 2 1062 102 102 GLU HG3 H 2.036 0.02 2 1063 102 102 GLU CA C 57.363 0.3 1 1064 102 102 GLU CB C 27.960 0.3 1 1065 102 102 GLU CG C 36.982 0.3 1 1066 102 102 GLU N N 118.607 0.3 1 1067 103 103 THR H H 7.634 0.02 1 1068 103 103 THR HA H 4.296 0.02 1 1069 103 103 THR HB H 3.469 0.02 1 1070 103 103 THR HG2 H 0.884 0.02 1 1071 103 103 THR CA C 62.029 0.3 1 1072 103 103 THR CB C 71.986 0.3 1 1073 103 103 THR CG2 C 20.225 0.3 1 1074 103 103 THR N N 113.815 0.3 1 1075 104 104 ASN H H 8.485 0.02 1 1076 104 104 ASN HA H 4.663 0.02 1 1077 104 104 ASN HB2 H 2.598 0.02 2 1078 104 104 ASN HB3 H 2.469 0.02 2 1079 104 104 ASN HD21 H 7.459 0.02 1 1080 104 104 ASN HD22 H 6.696 0.02 1 1081 104 104 ASN CA C 52.012 0.3 1 1082 104 104 ASN CB C 39.079 0.3 1 1083 104 104 ASN N N 124.390 0.3 1 1084 104 104 ASN ND2 N 112.093 0.3 1 1085 105 105 VAL H H 8.361 0.02 1 1086 105 105 VAL HA H 3.881 0.02 1 1087 105 105 VAL HB H 2.176 0.02 1 1088 105 105 VAL HG1 H 0.821 0.02 2 1089 105 105 VAL HG2 H 1.061 0.02 2 1090 105 105 VAL CA C 63.312 0.3 1 1091 105 105 VAL CB C 31.598 0.3 1 1092 105 105 VAL CG1 C 21.646 0.3 1 1093 105 105 VAL CG2 C 22.147 0.3 1 1094 105 105 VAL N N 125.338 0.3 1 1095 106 106 GLU H H 8.897 0.02 1 1096 106 106 GLU HA H 4.565 0.02 1 1097 106 106 GLU HB2 H 2.162 0.02 2 1098 106 106 GLU HB3 H 1.739 0.02 2 1099 106 106 GLU HG2 H 2.085 0.02 2 1100 106 106 GLU HG3 H 2.015 0.02 2 1101 106 106 GLU CA C 56.150 0.3 1 1102 106 106 GLU CB C 30.944 0.3 1 1103 106 106 GLU CG C 36.510 0.3 1 1104 106 106 GLU N N 126.923 0.3 1 1105 107 107 ASP H H 7.655 0.02 1 1106 107 107 ASP HA H 4.582 0.02 1 1107 107 107 ASP HB2 H 3.030 0.02 2 1108 107 107 ASP HB3 H 2.502 0.02 2 1109 107 107 ASP CA C 53.364 0.3 1 1110 107 107 ASP CB C 40.982 0.3 1 1111 107 107 ASP N N 119.141 0.3 1 1112 108 108 ASP H H 8.547 0.02 1 1113 108 108 ASP HA H 4.653 0.02 1 1114 108 108 ASP HB2 H 2.887 0.02 2 1115 108 108 ASP HB3 H 2.767 0.02 2 1116 108 108 ASP CA C 55.764 0.3 1 1117 108 108 ASP CB C 39.660 0.3 1 1118 108 108 ASP N N 115.607 0.3 1 1119 109 109 SER H H 7.965 0.02 1 1120 109 109 SER HA H 4.017 0.02 1 1121 109 109 SER HB2 H 4.235 0.02 2 1122 109 109 SER HB3 H 3.908 0.02 2 1123 109 109 SER CA C 60.795 0.3 1 1124 109 109 SER CB C 63.635 0.3 1 1125 109 109 SER N N 111.387 0.3 1 1126 110 110 ALA H H 8.738 0.02 1 1127 110 110 ALA HA H 3.411 0.02 1 1128 110 110 ALA HB H 1.186 0.02 1 1129 110 110 ALA CA C 53.577 0.3 1 1130 110 110 ALA CB C 19.197 0.3 1 1131 110 110 ALA N N 123.784 0.3 1 1132 111 111 LEU H H 7.633 0.02 1 1133 111 111 LEU HA H 3.992 0.02 1 1134 111 111 LEU HB2 H 1.834 0.02 2 1135 111 111 LEU HB3 H 1.508 0.02 2 1136 111 111 LEU HG H 1.818 0.02 1 1137 111 111 LEU HD1 H 0.756 0.02 1 1138 111 111 LEU CA C 59.492 0.3 1 1139 111 111 LEU CB C 38.124 0.3 1 1140 111 111 LEU CG C 26.966 0.3 1 1141 111 111 LEU CD1 C 25.419 0.3 1 1142 111 111 LEU CD2 C 26.263 0.3 1 1143 111 111 LEU N N 120.015 0.3 1 1144 112 112 PRO HA H 4.050 0.02 1 1145 112 112 PRO HB2 H 2.172 0.02 2 1146 112 112 PRO HB3 H 1.659 0.02 2 1147 112 112 PRO HG2 H 1.962 0.02 2 1148 112 112 PRO HG3 H 1.813 0.02 2 1149 112 112 PRO HD2 H 3.640 0.02 2 1150 112 112 PRO HD3 H 3.549 0.02 2 1151 112 112 PRO CA C 65.706 0.3 1 1152 112 112 PRO CB C 30.946 0.3 1 1153 112 112 PRO CG C 28.278 0.3 1 1154 112 112 PRO CD C 49.598 0.3 1 1155 113 113 ILE H H 6.167 0.02 1 1156 113 113 ILE HA H 3.488 0.02 1 1157 113 113 ILE HB H 1.656 0.02 1 1158 113 113 ILE HG12 H 1.332 0.02 2 1159 113 113 ILE HG13 H 0.353 0.02 2 1160 113 113 ILE HG2 H 0.370 0.02 1 1161 113 113 ILE HD1 H 0.472 0.02 1 1162 113 113 ILE CA C 61.046 0.3 1 1163 113 113 ILE CB C 34.791 0.3 1 1164 113 113 ILE CG1 C 25.721 0.3 1 1165 113 113 ILE CG2 C 17.144 0.3 1 1166 113 113 ILE CD1 C 7.864 0.3 1 1167 113 113 ILE N N 116.702 0.3 1 1168 114 114 ALA H H 7.742 0.02 1 1169 114 114 ALA HA H 3.658 0.02 1 1170 114 114 ALA HB H 1.494 0.02 1 1171 114 114 ALA CA C 55.686 0.3 1 1172 114 114 ALA CB C 20.050 0.3 1 1173 114 114 ALA N N 121.860 0.3 1 1174 115 115 VAL H H 8.192 0.02 1 1175 115 115 VAL HA H 3.237 0.02 1 1176 115 115 VAL HB H 1.858 0.02 1 1177 115 115 VAL HG1 H 0.803 0.02 2 1178 115 115 VAL HG2 H 0.780 0.02 2 1179 115 115 VAL CA C 66.877 0.3 1 1180 115 115 VAL CB C 32.040 0.3 1 1181 115 115 VAL CG1 C 23.217 0.3 1 1182 115 115 VAL CG2 C 21.280 0.3 1 1183 115 115 VAL N N 115.261 0.3 1 1184 116 116 GLU H H 7.662 0.02 1 1185 116 116 GLU HA H 4.197 0.02 1 1186 116 116 GLU HB2 H 2.063 0.02 2 1187 116 116 GLU HB3 H 1.997 0.02 2 1188 116 116 GLU HG2 H 2.276 0.02 2 1189 116 116 GLU HG3 H 2.207 0.02 2 1190 116 116 GLU CA C 59.177 0.3 1 1191 116 116 GLU CB C 29.216 0.3 1 1192 116 116 GLU CG C 36.291 0.3 1 1193 116 116 GLU N N 119.901 0.3 1 1194 117 117 VAL H H 8.184 0.02 1 1195 117 117 VAL HA H 3.369 0.02 1 1196 117 117 VAL HB H 2.456 0.02 1 1197 117 117 VAL HG1 H 0.969 0.02 2 1198 117 117 VAL HG2 H 0.974 0.02 2 1199 117 117 VAL CA C 68.072 0.3 1 1200 117 117 VAL CB C 30.891 0.3 1 1201 117 117 VAL CG1 C 23.425 0.3 1 1202 117 117 VAL CG2 C 23.177 0.3 1 1203 117 117 VAL N N 119.802 0.3 1 1204 118 118 ILE H H 7.438 0.02 1 1205 118 118 ILE HA H 3.598 0.02 1 1206 118 118 ILE HB H 2.120 0.02 1 1207 118 118 ILE HG12 H 1.376 0.02 2 1208 118 118 ILE HG13 H 1.238 0.02 2 1209 118 118 ILE HG2 H 0.679 0.02 1 1210 118 118 ILE HD1 H 0.497 0.02 1 1211 118 118 ILE CA C 64.057 0.3 1 1212 118 118 ILE CB C 35.881 0.3 1 1213 118 118 ILE CG1 C 28.487 0.3 1 1214 118 118 ILE CG2 C 17.394 0.3 1 1215 118 118 ILE CD1 C 11.519 0.3 1 1216 118 118 ILE N N 119.600 0.3 1 1217 119 119 ASN H H 8.361 0.02 1 1218 119 119 ASN HA H 4.472 0.02 1 1219 119 119 ASN HB2 H 2.955 0.02 2 1220 119 119 ASN HB3 H 2.900 0.02 2 1221 119 119 ASN HD21 H 7.485 0.02 1 1222 119 119 ASN HD22 H 6.836 0.02 1 1223 119 119 ASN CA C 56.407 0.3 1 1224 119 119 ASN CB C 37.565 0.3 1 1225 119 119 ASN N N 118.508 0.3 1 1226 119 119 ASN ND2 N 111.730 0.3 1 1227 120 120 ILE H H 8.538 0.02 1 1228 120 120 ILE HA H 3.970 0.02 1 1229 120 120 ILE HB H 2.221 0.02 1 1230 120 120 ILE HG12 H 1.465 0.02 2 1231 120 120 ILE HG13 H 1.327 0.02 2 1232 120 120 ILE HG2 H 0.955 0.02 1 1233 120 120 ILE HD1 H 0.576 0.02 1 1234 120 120 ILE CA C 63.312 0.3 1 1235 120 120 ILE CB C 36.615 0.3 1 1236 120 120 ILE CG1 C 29.428 0.3 1 1237 120 120 ILE CG2 C 18.464 0.3 1 1238 120 120 ILE CD1 C 11.467 0.3 1 1239 120 120 ILE N N 121.262 0.3 1 1240 121 121 TYR H H 8.609 0.02 1 1241 121 121 TYR HA H 3.598 0.02 1 1242 121 121 TYR HB2 H 3.340 0.02 2 1243 121 121 TYR HB3 H 2.655 0.02 2 1244 121 121 TYR HD1 H 6.797 0.02 3 1245 121 121 TYR HD2 H 6.649 0.02 3 1246 121 121 TYR HE1 H 6.654 0.02 1 1247 121 121 TYR HE2 H 6.654 0.02 1 1248 121 121 TYR CA C 63.994 0.3 1 1249 121 121 TYR CB C 37.021 0.3 1 1250 121 121 TYR CD1 C 130.935 0.3 1 1251 121 121 TYR CD2 C 130.172 0.3 1 1252 121 121 TYR CE1 C 117.789 0.3 1 1253 121 121 TYR CE2 C 117.789 0.3 1 1254 121 121 TYR N N 124.110 0.3 1 1255 122 122 ASN H H 8.408 0.02 1 1256 122 122 ASN HA H 4.462 0.02 1 1257 122 122 ASN HB2 H 2.908 0.02 2 1258 122 122 ASN HB3 H 2.761 0.02 2 1259 122 122 ASN HD21 H 7.584 0.02 1 1260 122 122 ASN HD22 H 6.839 0.02 1 1261 122 122 ASN CA C 56.395 0.3 1 1262 122 122 ASN CB C 38.165 0.3 1 1263 122 122 ASN N N 117.767 0.3 1 1264 122 122 ASN ND2 N 112.084 0.3 1 1265 123 123 ASP H H 8.496 0.02 1 1266 123 123 ASP HA H 4.445 0.02 1 1267 123 123 ASP HB2 H 3.402 0.02 2 1268 123 123 ASP HB3 H 2.848 0.02 2 1269 123 123 ASP CA C 58.080 0.3 1 1270 123 123 ASP CB C 39.128 0.3 1 1271 123 123 ASP N N 121.368 0.3 1 1272 124 124 CYS H H 8.409 0.02 1 1273 124 124 CYS HA H 3.663 0.02 1 1274 124 124 CYS HB2 H 2.992 0.02 2 1275 124 124 CYS HB3 H 1.982 0.02 2 1276 124 124 CYS CA C 63.972 0.3 1 1277 124 124 CYS CB C 27.221 0.3 1 1278 124 124 CYS N N 117.706 0.3 1 1279 125 125 PHE H H 9.229 0.02 1 1280 125 125 PHE HA H 3.668 0.02 1 1281 125 125 PHE HB2 H 3.383 0.02 2 1282 125 125 PHE HB3 H 2.934 0.02 2 1283 125 125 PHE HD1 H 7.167 0.02 1 1284 125 125 PHE HD2 H 7.167 0.02 1 1285 125 125 PHE HE1 H 7.331 0.02 1 1286 125 125 PHE HE2 H 7.331 0.02 1 1287 125 125 PHE HZ H 7.274 0.02 1 1288 125 125 PHE CA C 61.510 0.3 1 1289 125 125 PHE CB C 39.152 0.3 1 1290 125 125 PHE CD1 C 131.938 0.3 1 1291 125 125 PHE CD2 C 131.938 0.3 1 1292 125 125 PHE CE1 C 131.605 0.3 1 1293 125 125 PHE CE2 C 131.605 0.3 1 1294 125 125 PHE CZ C 130.163 0.3 1 1295 125 125 PHE N N 124.845 0.3 1 1296 126 126 ASN H H 7.394 0.02 1 1297 126 126 ASN HA H 4.435 0.02 1 1298 126 126 ASN HB2 H 2.924 0.02 2 1299 126 126 ASN HB3 H 2.700 0.02 2 1300 126 126 ASN HD21 H 7.579 0.02 1 1301 126 126 ASN HD22 H 7.030 0.02 1 1302 126 126 ASN CA C 53.387 0.3 1 1303 126 126 ASN CB C 39.388 0.3 1 1304 126 126 ASN N N 114.850 0.3 1 1305 126 126 ASN ND2 N 114.647 0.3 1 1306 127 127 LEU H H 7.646 0.02 1 1307 127 127 LEU HA H 3.122 0.02 1 1308 127 127 LEU HB2 H 1.745 0.02 2 1309 127 127 LEU HB3 H 1.203 0.02 2 1310 127 127 LEU HG H 1.107 0.02 1 1311 127 127 LEU HD1 H 0.648 0.02 2 1312 127 127 LEU HD2 H 0.601 0.02 2 1313 127 127 LEU CA C 55.570 0.3 1 1314 127 127 LEU CB C 37.859 0.3 1 1315 127 127 LEU CG C 27.038 0.3 1 1316 127 127 LEU CD1 C 25.401 0.3 1 1317 127 127 LEU CD2 C 23.660 0.3 1 1318 127 127 LEU N N 115.933 0.3 1 1319 128 128 ASN H H 7.880 0.02 1 1320 128 128 ASN HA H 4.457 0.02 1 1321 128 128 ASN HB2 H 2.785 0.02 2 1322 128 128 ASN HB3 H 2.326 0.02 2 1323 128 128 ASN HD21 H 7.463 0.02 1 1324 128 128 ASN HD22 H 6.646 0.02 1 1325 128 128 ASN CA C 51.006 0.3 1 1326 128 128 ASN CB C 38.166 0.3 1 1327 128 128 ASN N N 115.963 0.3 1 1328 128 128 ASN ND2 N 110.661 0.3 1 1329 129 129 TYR H H 8.242 0.02 1 1330 129 129 TYR HA H 4.661 0.02 1 1331 129 129 TYR HB2 H 3.131 0.02 2 1332 129 129 TYR HB3 H 2.641 0.02 2 1333 129 129 TYR HD1 H 6.830 0.02 1 1334 129 129 TYR HD2 H 6.830 0.02 1 1335 129 129 TYR HE1 H 6.394 0.02 1 1336 129 129 TYR HE2 H 6.394 0.02 1 1337 129 129 TYR CA C 54.955 0.3 1 1338 129 129 TYR CB C 37.510 0.3 1 1339 129 129 TYR CD1 C 132.141 0.3 1 1340 129 129 TYR CD2 C 132.141 0.3 1 1341 129 129 TYR CE1 C 117.093 0.3 1 1342 129 129 TYR CE2 C 117.093 0.3 1 1343 129 129 TYR N N 121.242 0.3 1 1344 130 130 ASN H H 8.098 0.02 1 1345 130 130 ASN HA H 4.226 0.02 1 1346 130 130 ASN HB2 H 2.785 0.02 2 1347 130 130 ASN HB3 H 2.631 0.02 2 1348 130 130 ASN HD21 H 7.593 0.02 1 1349 130 130 ASN HD22 H 6.924 0.02 1 1350 130 130 ASN CA C 57.386 0.3 1 1351 130 130 ASN CB C 38.513 0.3 1 1352 130 130 ASN N N 118.772 0.3 1 1353 130 130 ASN ND2 N 112.938 0.3 1 1354 131 131 LYS H H 8.824 0.02 1 1355 131 131 LYS HA H 4.009 0.02 1 1356 131 131 LYS HB2 H 1.767 0.02 2 1357 131 131 LYS HB3 H 1.656 0.02 2 1358 131 131 LYS HG2 H 1.344 0.02 2 1359 131 131 LYS HG3 H 1.247 0.02 2 1360 131 131 LYS HD2 H 1.531 0.02 1 1361 131 131 LYS HD3 H 1.531 0.02 1 1362 131 131 LYS HE2 H 2.793 0.02 1 1363 131 131 LYS HE3 H 2.793 0.02 1 1364 131 131 LYS CA C 59.357 0.3 1 1365 131 131 LYS CB C 31.653 0.3 1 1366 131 131 LYS CG C 25.035 0.3 1 1367 131 131 LYS CD C 29.011 0.3 1 1368 131 131 LYS CE C 41.747 0.3 1 1369 131 131 LYS N N 120.653 0.3 1 1370 132 132 VAL H H 7.240 0.02 1 1371 132 132 VAL HA H 3.192 0.02 1 1372 132 132 VAL HB H 2.019 0.02 1 1373 132 132 VAL HG1 H 0.944 0.02 2 1374 132 132 VAL HG2 H 0.731 0.02 2 1375 132 132 VAL CA C 67.811 0.3 1 1376 132 132 VAL CB C 31.961 0.3 1 1377 132 132 VAL CG1 C 22.659 0.3 1 1378 132 132 VAL CG2 C 21.159 0.3 1 1379 132 132 VAL N N 117.979 0.3 1 1380 133 133 GLU H H 8.082 0.02 1 1381 133 133 GLU HA H 3.888 0.02 1 1382 133 133 GLU HB2 H 1.981 0.02 1 1383 133 133 GLU HB3 H 1.981 0.02 1 1384 133 133 GLU HG2 H 2.266 0.02 1 1385 133 133 GLU HG3 H 2.266 0.02 1 1386 133 133 GLU CA C 59.700 0.3 1 1387 133 133 GLU CB C 29.113 0.3 1 1388 133 133 GLU CG C 36.269 0.3 1 1389 133 133 GLU N N 116.188 0.3 1 1390 134 134 LYS H H 7.896 0.02 1 1391 134 134 LYS HA H 3.998 0.02 1 1392 134 134 LYS HB2 H 1.872 0.02 2 1393 134 134 LYS HB3 H 1.858 0.02 2 1394 134 134 LYS HG2 H 1.441 0.02 2 1395 134 134 LYS HG3 H 1.313 0.02 2 1396 134 134 LYS HD2 H 1.598 0.02 2 1397 134 134 LYS HD3 H 1.538 0.02 2 1398 134 134 LYS HE2 H 2.876 0.02 1 1399 134 134 LYS HE3 H 2.876 0.02 1 1400 134 134 LYS CA C 59.581 0.3 1 1401 134 134 LYS CB C 32.749 0.3 1 1402 134 134 LYS CG C 24.845 0.3 1 1403 134 134 LYS CD C 29.419 0.3 1 1404 134 134 LYS CE C 42.102 0.3 1 1405 134 134 LYS N N 120.022 0.3 1 1406 135 135 LEU H H 8.397 0.02 1 1407 135 135 LEU HA H 4.006 0.02 1 1408 135 135 LEU HB2 H 1.927 0.02 2 1409 135 135 LEU HB3 H 1.195 0.02 2 1410 135 135 LEU HG H 1.820 0.02 1 1411 135 135 LEU HD1 H 0.673 0.02 2 1412 135 135 LEU HD2 H 0.789 0.02 2 1413 135 135 LEU CA C 57.646 0.3 1 1414 135 135 LEU CB C 42.506 0.3 1 1415 135 135 LEU CG C 26.833 0.3 1 1416 135 135 LEU CD1 C 26.265 0.3 1 1417 135 135 LEU CD2 C 23.007 0.3 1 1418 135 135 LEU N N 118.244 0.3 1 1419 136 136 TYR H H 8.346 0.02 1 1420 136 136 TYR HA H 4.926 0.02 1 1421 136 136 TYR HB2 H 3.042 0.02 2 1422 136 136 TYR HB3 H 2.903 0.02 2 1423 136 136 TYR HD1 H 7.109 0.02 1 1424 136 136 TYR HD2 H 7.109 0.02 1 1425 136 136 TYR HE1 H 6.664 0.02 1 1426 136 136 TYR HE2 H 6.664 0.02 1 1427 136 136 TYR CA C 60.356 0.3 1 1428 136 136 TYR CB C 38.493 0.3 1 1429 136 136 TYR CD1 C 133.080 0.3 1 1430 136 136 TYR CD2 C 133.080 0.3 1 1431 136 136 TYR CE1 C 118.122 0.3 1 1432 136 136 TYR CE2 C 118.122 0.3 1 1433 136 136 TYR N N 120.803 0.3 1 1434 137 137 LEU H H 8.236 0.02 1 1435 137 137 LEU HA H 3.915 0.02 1 1436 137 137 LEU HB2 H 1.826 0.02 2 1437 137 137 LEU HB3 H 1.568 0.02 2 1438 137 137 LEU HG H 1.761 0.02 1 1439 137 137 LEU HD1 H 0.837 0.02 2 1440 137 137 LEU HD2 H 0.804 0.02 2 1441 137 137 LEU CA C 58.396 0.3 1 1442 137 137 LEU CB C 41.586 0.3 1 1443 137 137 LEU CG C 26.993 0.3 1 1444 137 137 LEU CD1 C 24.998 0.3 1 1445 137 137 LEU CD2 C 23.609 0.3 1 1446 137 137 LEU N N 120.546 0.3 1 1447 138 138 GLU H H 8.094 0.02 1 1448 138 138 GLU HA H 3.906 0.02 1 1449 138 138 GLU HB2 H 2.080 0.02 2 1450 138 138 GLU HB3 H 1.977 0.02 2 1451 138 138 GLU HG2 H 2.463 0.02 1 1452 138 138 GLU HG3 H 2.463 0.02 1 1453 138 138 GLU CA C 59.404 0.3 1 1454 138 138 GLU CB C 29.542 0.3 1 1455 138 138 GLU CG C 36.873 0.3 1 1456 138 138 GLU N N 119.017 0.3 1 1457 139 139 TRP H H 8.391 0.02 1 1458 139 139 TRP HA H 4.075 0.02 1 1459 139 139 TRP HB2 H 3.547 0.02 2 1460 139 139 TRP HB3 H 3.314 0.02 2 1461 139 139 TRP HD1 H 6.942 0.02 1 1462 139 139 TRP HE1 H 8.311 0.02 1 1463 139 139 TRP HE3 H 7.146 0.02 1 1464 139 139 TRP HZ2 H 6.972 0.02 1 1465 139 139 TRP HZ3 H 6.919 0.02 1 1466 139 139 TRP HH2 H 6.960 0.02 1 1467 139 139 TRP CA C 61.737 0.3 1 1468 139 139 TRP CB C 29.875 0.3 1 1469 139 139 TRP CD1 C 126.532 0.3 1 1470 139 139 TRP CE3 C 120.339 0.3 1 1471 139 139 TRP CZ2 C 114.141 0.3 1 1472 139 139 TRP CZ3 C 121.420 0.3 1 1473 139 139 TRP CH2 C 124.018 0.3 1 1474 139 139 TRP N N 123.284 0.3 1 1475 139 139 TRP NE1 N 127.531 0.3 1 1476 140 140 GLN H H 8.581 0.02 1 1477 140 140 GLN HA H 3.279 0.02 1 1478 140 140 GLN HB2 H 1.951 0.02 2 1479 140 140 GLN HB3 H 1.745 0.02 2 1480 140 140 GLN HG2 H 2.119 0.02 2 1481 140 140 GLN HG3 H 1.882 0.02 2 1482 140 140 GLN HE21 H 6.690 0.02 1 1483 140 140 GLN HE22 H 6.181 0.02 1 1484 140 140 GLN CA C 59.312 0.3 1 1485 140 140 GLN CB C 29.405 0.3 1 1486 140 140 GLN CG C 34.510 0.3 1 1487 140 140 GLN N N 118.165 0.3 1 1488 140 140 GLN NE2 N 111.112 0.3 1 1489 141 141 GLU H H 7.656 0.02 1 1490 141 141 GLU HA H 3.897 0.02 1 1491 141 141 GLU HB2 H 1.978 0.02 2 1492 141 141 GLU HB3 H 1.912 0.02 2 1493 141 141 GLU HG2 H 2.155 0.02 1 1494 141 141 GLU HG3 H 2.155 0.02 1 1495 141 141 GLU CA C 58.850 0.3 1 1496 141 141 GLU CB C 29.045 0.3 1 1497 141 141 GLU CG C 35.573 0.3 1 1498 141 141 GLU N N 118.992 0.3 1 1499 142 142 LYS H H 7.754 0.02 1 1500 142 142 LYS HA H 3.845 0.02 1 1501 142 142 LYS HB2 H 1.709 0.02 1 1502 142 142 LYS HB3 H 1.709 0.02 1 1503 142 142 LYS HG2 H 1.372 0.02 2 1504 142 142 LYS HG3 H 1.178 0.02 2 1505 142 142 LYS HD2 H 1.561 0.02 1 1506 142 142 LYS HD3 H 1.561 0.02 1 1507 142 142 LYS HE2 H 2.849 0.02 1 1508 142 142 LYS HE3 H 2.849 0.02 1 1509 142 142 LYS CA C 59.097 0.3 1 1510 142 142 LYS CB C 31.953 0.3 1 1511 142 142 LYS CG C 25.281 0.3 1 1512 142 142 LYS CD C 29.480 0.3 1 1513 142 142 LYS CE C 42.134 0.3 1 1514 142 142 LYS N N 120.831 0.3 1 1515 143 143 GLN H H 7.860 0.02 1 1516 143 143 GLN HA H 3.556 0.02 1 1517 143 143 GLN HB2 H 1.579 0.02 2 1518 143 143 GLN HB3 H 1.404 0.02 2 1519 143 143 GLN HG2 H 1.188 0.02 2 1520 143 143 GLN HG3 H 0.908 0.02 2 1521 143 143 GLN HE21 H 6.619 0.02 1 1522 143 143 GLN HE22 H 6.117 0.02 1 1523 143 143 GLN CA C 57.302 0.3 1 1524 143 143 GLN CB C 27.921 0.3 1 1525 143 143 GLN CG C 32.238 0.3 1 1526 143 143 GLN N N 116.571 0.3 1 1527 143 143 GLN NE2 N 112.188 0.3 1 1528 144 144 ARG H H 7.497 0.02 1 1529 144 144 ARG HA H 3.895 0.02 1 1530 144 144 ARG HB2 H 1.749 0.02 1 1531 144 144 ARG HB3 H 1.749 0.02 1 1532 144 144 ARG HG2 H 1.562 0.02 2 1533 144 144 ARG HG3 H 1.420 0.02 2 1534 144 144 ARG HD2 H 3.028 0.02 1 1535 144 144 ARG HD3 H 3.028 0.02 1 1536 144 144 ARG CA C 58.768 0.3 1 1537 144 144 ARG CB C 30.382 0.3 1 1538 144 144 ARG CG C 27.644 0.3 1 1539 144 144 ARG CD C 43.309 0.3 1 1540 144 144 ARG N N 117.983 0.3 1 1541 145 145 THR H H 7.622 0.02 1 1542 145 145 THR HA H 4.039 0.02 1 1543 145 145 THR HB H 4.169 0.02 1 1544 145 145 THR HG2 H 1.078 0.02 1 1545 145 145 THR CA C 63.385 0.3 1 1546 145 145 THR CB C 69.260 0.3 1 1547 145 145 THR CG2 C 21.611 0.3 1 1548 145 145 THR N N 111.083 0.3 1 1549 146 146 LYS H H 7.571 0.02 1 1550 146 146 LYS HA H 4.017 0.02 1 1551 146 146 LYS HB2 H 1.670 0.02 1 1552 146 146 LYS HB3 H 1.670 0.02 1 1553 146 146 LYS HG2 H 1.322 0.02 2 1554 146 146 LYS HG3 H 1.256 0.02 2 1555 146 146 LYS HD2 H 1.473 0.02 1 1556 146 146 LYS HD3 H 1.473 0.02 1 1557 146 146 LYS HE2 H 2.800 0.02 1 1558 146 146 LYS HE3 H 2.800 0.02 1 1559 146 146 LYS CA C 57.563 0.3 1 1560 146 146 LYS CB C 32.578 0.3 1 1561 146 146 LYS CG C 24.726 0.3 1 1562 146 146 LYS CD C 29.275 0.3 1 1563 146 146 LYS CE C 41.844 0.3 1 1564 146 146 LYS N N 122.228 0.3 1 1565 147 147 LYS H H 8.003 0.02 1 1566 147 147 LYS HA H 4.102 0.02 1 1567 147 147 LYS HB2 H 1.732 0.02 2 1568 147 147 LYS HB3 H 1.655 0.02 2 1569 147 147 LYS HG2 H 1.350 0.02 2 1570 147 147 LYS HG3 H 1.284 0.02 2 1571 147 147 LYS HD2 H 1.527 0.02 1 1572 147 147 LYS HD3 H 1.527 0.02 1 1573 147 147 LYS HE2 H 2.838 0.02 1 1574 147 147 LYS HE3 H 2.838 0.02 1 1575 147 147 LYS CA C 56.886 0.3 1 1576 147 147 LYS CB C 32.639 0.3 1 1577 147 147 LYS CG C 24.879 0.3 1 1578 147 147 LYS CD C 29.010 0.3 1 1579 147 147 LYS CE C 42.048 0.3 1 1580 147 147 LYS N N 120.299 0.3 1 1581 148 148 SER H H 7.972 0.02 1 1582 148 148 SER HA H 4.263 0.02 1 1583 148 148 SER HB2 H 3.778 0.02 2 1584 148 148 SER HB3 H 3.750 0.02 2 1585 148 148 SER CA C 58.699 0.3 1 1586 148 148 SER CB C 63.735 0.3 1 1587 148 148 SER N N 115.515 0.3 1 1588 149 149 LYS H H 8.098 0.02 1 1589 149 149 LYS HA H 4.182 0.02 1 1590 149 149 LYS HB2 H 1.733 0.02 2 1591 149 149 LYS HB3 H 1.635 0.02 2 1592 149 149 LYS HG2 H 1.340 0.02 2 1593 149 149 LYS HG3 H 1.283 0.02 2 1594 149 149 LYS HD2 H 1.535 0.02 1 1595 149 149 LYS HD3 H 1.535 0.02 1 1596 149 149 LYS HE2 H 2.851 0.02 1 1597 149 149 LYS HE3 H 2.851 0.02 1 1598 149 149 LYS CA C 56.344 0.3 1 1599 149 149 LYS CB C 32.797 0.3 1 1600 149 149 LYS CG C 24.748 0.3 1 1601 149 149 LYS CD C 29.038 0.3 1 1602 149 149 LYS CE C 42.136 0.3 1 1603 149 149 LYS N N 122.439 0.3 1 1604 150 150 ARG H H 8.061 0.02 1 1605 150 150 ARG HA H 4.191 0.02 1 1606 150 150 ARG HB2 H 1.681 0.02 2 1607 150 150 ARG HB3 H 1.619 0.02 2 1608 150 150 ARG HG2 H 1.507 0.02 2 1609 150 150 ARG HG3 H 1.431 0.02 2 1610 150 150 ARG HD2 H 3.031 0.02 1 1611 150 150 ARG HD3 H 3.031 0.02 1 1612 150 150 ARG CA C 56.266 0.3 1 1613 150 150 ARG CB C 30.813 0.3 1 1614 150 150 ARG CG C 27.122 0.3 1 1615 150 150 ARG CD C 43.246 0.3 1 1616 150 150 ARG N N 121.660 0.3 1 1617 151 151 VAL H H 8.126 0.02 1 1618 151 151 VAL HA H 3.976 0.02 1 1619 151 151 VAL HB H 1.869 0.02 1 1620 151 151 VAL HG1 H 0.795 0.02 2 1621 151 151 VAL HG2 H 0.704 0.02 2 1622 151 151 VAL CA C 62.191 0.3 1 1623 151 151 VAL CB C 32.826 0.3 1 1624 151 151 VAL CG1 C 20.714 0.3 1 1625 151 151 VAL CG2 C 21.076 0.3 1 1626 151 151 VAL N N 122.439 0.3 1 1627 152 152 VAL H H 8.141 0.02 1 1628 152 152 VAL HA H 3.975 0.02 1 1629 152 152 VAL HB H 1.860 0.02 1 1630 152 152 VAL HG1 H 0.735 0.02 2 1631 152 152 VAL HG2 H 0.766 0.02 2 1632 152 152 VAL CA C 61.988 0.3 1 1633 152 152 VAL CB C 32.877 0.3 1 1634 152 152 VAL CG1 C 21.046 0.3 1 1635 152 152 VAL CG2 C 20.535 0.3 1 1636 152 152 VAL N N 124.448 0.3 1 1637 153 153 HIS H H 8.462 0.02 1 1638 153 153 HIS HA H 4.575 0.02 1 1639 153 153 HIS HB2 H 3.001 0.02 2 1640 153 153 HIS HB3 H 2.927 0.02 2 1641 153 153 HIS HD2 H 6.928 0.02 1 1642 153 153 HIS HE1 H 7.963 0.02 1 1643 153 153 HIS CA C 55.584 0.3 1 1644 153 153 HIS CB C 30.191 0.3 1 1645 153 153 HIS CD2 C 119.600 0.3 1 1646 153 153 HIS CE1 C 137.438 0.3 1 1647 153 153 HIS N N 123.897 0.3 1 1648 154 154 ILE H H 8.122 0.02 1 1649 154 154 ILE HA H 4.004 0.02 1 1650 154 154 ILE HB H 1.654 0.02 1 1651 154 154 ILE HG12 H 1.284 0.02 2 1652 154 154 ILE HG13 H 1.000 0.02 2 1653 154 154 ILE HG2 H 0.732 0.02 1 1654 154 154 ILE HD1 H 0.689 0.02 1 1655 154 154 ILE CA C 60.864 0.3 1 1656 154 154 ILE CB C 38.819 0.3 1 1657 154 154 ILE CG1 C 27.108 0.3 1 1658 154 154 ILE CG2 C 17.347 0.3 1 1659 154 154 ILE CD1 C 12.735 0.3 1 1660 154 154 ILE N N 123.843 0.3 1 1661 155 155 GLU H H 8.418 0.02 1 1662 155 155 GLU HA H 4.177 0.02 1 1663 155 155 GLU HB2 H 1.944 0.02 2 1664 155 155 GLU HB3 H 1.798 0.02 2 1665 155 155 GLU HG2 H 2.147 0.02 1 1666 155 155 GLU HG3 H 2.147 0.02 1 1667 155 155 GLU CA C 56.366 0.3 1 1668 155 155 GLU CB C 30.448 0.3 1 1669 155 155 GLU CG C 36.245 0.3 1 1670 155 155 GLU N N 125.217 0.3 1 1671 156 156 GLY H H 7.902 0.02 1 1672 156 156 GLY HA2 H 3.630 0.02 1 1673 156 156 GLY HA3 H 3.630 0.02 1 1674 156 156 GLY CA C 46.061 0.3 1 1675 156 156 GLY N N 116.165 0.3 1 stop_ save_