data_18228 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain assignment of TpbA ; _BMRB_accession_number 18228 _BMRB_flat_file_name bmr18228.str _Entry_type original _Submission_date 2012-01-27 _Accession_date 2012-01-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Koveal Dorothy . . 2 Peti Wolfgang . . 3 Page Rebecca . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 985 "13C chemical shifts" 542 "15N chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-15 update BMRB 'update entry citation' 2012-03-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and sidechain (1)H, (15)N and (13)C assignments of Tyrosine Phosphatase related to Biofilm formation A (TpbA) of Pseudomonas aeruginosa.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22392344 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Koveal Dorothy . . 2 Jayasundera Thusitha B. . 3 Wood Thomas K. . 4 Peti Wolfgang . . 5 Page Rebecca . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 57 _Page_last 59 _Year 2013 _Details . loop_ _Keyword Biofilm Phosphatase 'Pseudomonas aeruginosa' TpbA stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TpbA monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TpbA monomer' $TpbA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Dual specificity phosphatase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TpbA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TpbA _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 193 _Mol_residue_sequence ; GHMAETAAPRSPAWAQAVDP SINLYRMSPTLYRSALPNAQ SVALLQRLQVKTVVSFIKDD DRAWLGQAPVRVVSLPTHAD RVDDAEVLSVLRQLQAAERE GPVLMHCKHGNNRTGLFAAM YRIVVQGWDKQAALEEMQRG GFGDEDDMRDASAYVRGADV DGLRLAMANGECSPSRFALC HVREWMAQALDRP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 26 GLY 2 27 HIS 3 28 MET 4 29 ALA 5 30 GLU 6 31 THR 7 32 ALA 8 33 ALA 9 34 PRO 10 35 ARG 11 36 SER 12 37 PRO 13 38 ALA 14 39 TRP 15 40 ALA 16 41 GLN 17 42 ALA 18 43 VAL 19 44 ASP 20 45 PRO 21 46 SER 22 47 ILE 23 48 ASN 24 49 LEU 25 50 TYR 26 51 ARG 27 52 MET 28 53 SER 29 54 PRO 30 55 THR 31 56 LEU 32 57 TYR 33 58 ARG 34 59 SER 35 60 ALA 36 61 LEU 37 62 PRO 38 63 ASN 39 64 ALA 40 65 GLN 41 66 SER 42 67 VAL 43 68 ALA 44 69 LEU 45 70 LEU 46 71 GLN 47 72 ARG 48 73 LEU 49 74 GLN 50 75 VAL 51 76 LYS 52 77 THR 53 78 VAL 54 79 VAL 55 80 SER 56 81 PHE 57 82 ILE 58 83 LYS 59 84 ASP 60 85 ASP 61 86 ASP 62 87 ARG 63 88 ALA 64 89 TRP 65 90 LEU 66 91 GLY 67 92 GLN 68 93 ALA 69 94 PRO 70 95 VAL 71 96 ARG 72 97 VAL 73 98 VAL 74 99 SER 75 100 LEU 76 101 PRO 77 102 THR 78 103 HIS 79 104 ALA 80 105 ASP 81 106 ARG 82 107 VAL 83 108 ASP 84 109 ASP 85 110 ALA 86 111 GLU 87 112 VAL 88 113 LEU 89 114 SER 90 115 VAL 91 116 LEU 92 117 ARG 93 118 GLN 94 119 LEU 95 120 GLN 96 121 ALA 97 122 ALA 98 123 GLU 99 124 ARG 100 125 GLU 101 126 GLY 102 127 PRO 103 128 VAL 104 129 LEU 105 130 MET 106 131 HIS 107 132 CYS 108 133 LYS 109 134 HIS 110 135 GLY 111 136 ASN 112 137 ASN 113 138 ARG 114 139 THR 115 140 GLY 116 141 LEU 117 142 PHE 118 143 ALA 119 144 ALA 120 145 MET 121 146 TYR 122 147 ARG 123 148 ILE 124 149 VAL 125 150 VAL 126 151 GLN 127 152 GLY 128 153 TRP 129 154 ASP 130 155 LYS 131 156 GLN 132 157 ALA 133 158 ALA 134 159 LEU 135 160 GLU 136 161 GLU 137 162 MET 138 163 GLN 139 164 ARG 140 165 GLY 141 166 GLY 142 167 PHE 143 168 GLY 144 169 ASP 145 170 GLU 146 171 ASP 147 172 ASP 148 173 MET 149 174 ARG 150 175 ASP 151 176 ALA 152 177 SER 153 178 ALA 154 179 TYR 155 180 VAL 156 181 ARG 157 182 GLY 158 183 ALA 159 184 ASP 160 185 VAL 161 186 ASP 162 187 GLY 163 188 LEU 164 189 ARG 165 190 LEU 166 191 ALA 167 192 MET 168 193 ALA 169 194 ASN 170 195 GLY 171 196 GLU 172 197 CYS 173 198 SER 174 199 PRO 175 200 SER 176 201 ARG 177 202 PHE 178 203 ALA 179 204 LEU 180 205 CYS 181 206 HIS 182 207 VAL 183 208 ARG 184 209 GLU 185 210 TRP 186 211 MET 187 212 ALA 188 213 GLN 189 214 ALA 190 215 LEU 191 216 ASP 192 217 ARG 193 218 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18977 TpbA 100.00 193 100.00 100.00 6.53e-138 PDB 2M3V "Solution Structure Of Tyrosine Phosphatase Related To Biofilm Formation A (tpba) From Pseudomonas Aeruginosa" 100.00 193 100.00 100.00 6.53e-138 PDB 4R0S "Crystal Structure Of P. Aeruginosa Tpba" 99.48 218 97.40 98.44 1.43e-132 DBJ BAK91895 "hypothetical protein NCGM2_5074 [Pseudomonas aeruginosa NCGM2.S1]" 99.48 218 98.96 99.48 1.10e-134 DBJ BAP20213 "hypothetical protein NCGM1900_1089 [Pseudomonas aeruginosa]" 99.48 218 98.96 99.48 1.10e-134 DBJ BAP49072 "hypothetical protein NCGM1984_1078 [Pseudomonas aeruginosa]" 99.48 218 98.96 99.48 1.10e-134 DBJ BAQ37900 "hypothetical protein PA257_1280 [Pseudomonas aeruginosa]" 99.48 218 99.48 99.48 3.42e-135 DBJ BAR66014 "protein tyrosine/serine phosphatase [Pseudomonas aeruginosa]" 99.48 218 97.40 97.92 3.77e-132 EMBL CDH75498 "putative protein phosphatase [Pseudomonas aeruginosa MH27]" 99.48 218 98.96 99.48 1.10e-134 EMBL CDM50177 "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa WS394]" 99.48 218 98.96 99.48 1.10e-134 EMBL CDO83381 "hypothetical protein PA3885 [Pseudomonas aeruginosa]" 99.48 218 97.40 98.44 1.43e-132 EMBL CEI03735 "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa]" 99.48 218 97.40 97.92 3.77e-132 EMBL CEI78250 "Protein tyrosine/serine phosphatase [Pseudomonas aeruginosa]" 99.48 218 97.40 98.44 1.43e-132 GB AAG07272 "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa PAO1]" 99.48 218 97.40 98.44 1.43e-132 GB AAT49761 "PA3885, partial [synthetic construct]" 99.48 219 97.40 98.44 2.47e-132 GB ABJ13157 "putative protein phosphatase [Pseudomonas aeruginosa UCBPP-PA14]" 99.48 218 99.48 99.48 3.42e-135 GB AFM63275 "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa DK2]" 99.48 218 97.40 98.44 2.69e-132 GB AGI79981 "hypothetical protein G655_05280 [Pseudomonas aeruginosa B136-33]" 99.48 218 99.48 99.48 3.42e-135 REF NP_252574 "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa PAO1]" 99.48 218 97.40 98.44 1.43e-132 REF WP_003092976 "MULTISPECIES: protein-tyrosine-phosphatase [Pseudomonas]" 99.48 218 98.96 99.48 1.10e-134 REF WP_003105672 "MULTISPECIES: protein-tyrosine-phosphatase [Pseudomonas]" 99.48 218 97.40 98.44 1.43e-132 REF WP_003111594 "MULTISPECIES: protein-tyrosine-phosphatase [Pseudomonas]" 99.48 218 99.48 99.48 3.42e-135 REF WP_003118289 "protein-tyrosine-phosphatase [Pseudomonas aeruginosa]" 99.48 218 97.40 98.44 2.69e-132 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TpbA 'Pseudomonas aeruginosa' 287 Bacteria . Pseudomonas aeruginosa 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 $TpbA 'recombinant technology' . Escherichia coli . pRP1B 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 $TpbA 1.1 mM [U-15N] TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TpbA 1.0 mM '[U-13C, U-15N]' TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TpbA 1.0 mM 'natural abundance' TRIS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . 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_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_(H)CCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 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 CBCA(CO)NH' '3D C(CO)NH' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D (H)CCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'TpbA monomer' _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 27 2 HIS HA H 4.535 0.03 1 2 27 2 HIS HB2 H 2.975 0.03 2 3 27 2 HIS HB3 H 2.975 0.03 2 4 27 2 HIS CA C 56.055 0.50 1 5 27 2 HIS CB C 30.754 0.50 1 6 28 3 MET HA H 4.335 0.03 1 7 28 3 MET HB2 H 1.959 0.03 1 8 28 3 MET HB3 H 1.865 0.03 1 9 28 3 MET HG2 H 2.427 0.03 1 10 28 3 MET HG3 H 2.365 0.03 1 11 28 3 MET CA C 55.311 0.50 1 12 28 3 MET CB C 32.490 0.50 1 13 28 3 MET CG C 31.746 0.50 1 14 29 4 ALA H H 8.347 0.03 1 15 29 4 ALA HA H 4.207 0.03 1 16 29 4 ALA HB H 1.276 0.03 1 17 29 4 ALA CA C 52.334 0.50 1 18 29 4 ALA CB C 19.343 0.50 1 19 29 4 ALA N N 125.534 0.25 1 20 30 5 GLU H H 8.377 0.03 1 21 30 5 GLU HA H 4.220 0.03 1 22 30 5 GLU HB2 H 1.980 0.03 1 23 30 5 GLU HB3 H 1.879 0.03 1 24 30 5 GLU HG2 H 2.186 0.03 2 25 30 5 GLU HG3 H 2.186 0.03 2 26 30 5 GLU CA C 56.799 0.50 1 27 30 5 GLU CB C 30.010 0.50 1 28 30 5 GLU CG C 36.459 0.50 1 29 30 5 GLU N N 120.408 0.25 1 30 31 6 THR H H 8.066 0.03 1 31 31 6 THR HA H 4.212 0.03 1 32 31 6 THR HB H 4.099 0.03 1 33 31 6 THR HG2 H 1.114 0.03 1 34 31 6 THR CA C 61.264 0.50 1 35 31 6 THR CB C 69.698 0.50 1 36 31 6 THR CG2 C 21.328 0.50 1 37 31 6 THR N N 115.146 0.25 1 38 32 7 ALA H H 8.191 0.03 1 39 32 7 ALA HA H 4.207 0.03 1 40 32 7 ALA HB H 1.284 0.03 1 41 32 7 ALA CA C 51.838 0.50 1 42 32 7 ALA CB C 19.343 0.50 1 43 32 7 ALA N N 126.779 0.25 1 44 33 8 ALA H H 8.154 0.03 1 45 33 8 ALA HA H 4.434 0.03 1 46 33 8 ALA HB H 1.214 0.03 1 47 33 8 ALA CA C 50.598 0.50 1 48 33 8 ALA CB C 18.103 0.50 1 49 33 8 ALA N N 125.023 0.25 1 50 34 9 PRO HA H 4.240 0.03 1 51 34 9 PRO HB2 H 2.126 0.03 1 52 34 9 PRO HB3 H 1.693 0.03 1 53 34 9 PRO HG2 H 1.866 0.03 2 54 34 9 PRO HG3 H 1.866 0.03 2 55 34 9 PRO HD2 H 3.667 0.03 1 56 34 9 PRO HD3 H 3.479 0.03 1 57 34 9 PRO CA C 62.505 0.50 1 58 34 9 PRO CB C 31.994 0.50 1 59 34 9 PRO CG C 27.033 0.50 1 60 34 9 PRO CD C 50.102 0.50 1 61 35 10 ARG H H 8.243 0.03 1 62 35 10 ARG HA H 3.718 0.03 1 63 35 10 ARG HB2 H 1.545 0.03 2 64 35 10 ARG HB3 H 1.545 0.03 2 65 35 10 ARG HG2 H 1.602 0.03 2 66 35 10 ARG HG3 H 1.602 0.03 2 67 35 10 ARG CA C 56.303 0.50 1 68 35 10 ARG CB C 31.250 0.50 1 69 35 10 ARG CG C 28.646 0.50 1 70 35 10 ARG N N 123.412 0.25 1 71 36 11 SER H H 6.838 0.03 1 72 36 11 SER HA H 4.637 0.03 1 73 36 11 SER HB2 H 3.760 0.03 2 74 36 11 SER HB3 H 3.760 0.03 2 75 36 11 SER CA C 56.427 0.50 1 76 36 11 SER CB C 63.249 0.50 1 77 36 11 SER N N 120.455 0.25 1 78 37 12 PRO HA H 4.335 0.03 1 79 37 12 PRO HB2 H 2.158 0.03 1 80 37 12 PRO HB3 H 1.849 0.03 1 81 37 12 PRO HG2 H 1.955 0.03 1 82 37 12 PRO HG3 H 1.849 0.03 1 83 37 12 PRO HD2 H 3.666 0.03 2 84 37 12 PRO HD3 H 3.666 0.03 2 85 37 12 PRO CA C 63.993 0.50 1 86 37 12 PRO CB C 32.119 0.50 1 87 37 12 PRO CG C 26.785 0.50 1 88 37 12 PRO CD C 51.094 0.50 1 89 38 13 ALA H H 7.712 0.03 1 90 38 13 ALA HA H 4.198 0.03 1 91 38 13 ALA HB H 1.276 0.03 1 92 38 13 ALA CA C 52.582 0.50 1 93 38 13 ALA CB C 19.095 0.50 1 94 38 13 ALA N N 118.775 0.25 1 95 39 14 TRP H H 7.326 0.03 1 96 39 14 TRP HA H 5.151 0.03 1 97 39 14 TRP HB2 H 3.430 0.03 2 98 39 14 TRP HB3 H 3.430 0.03 2 99 39 14 TRP HD1 H 7.415 0.03 1 100 39 14 TRP HE1 H 10.841 0.03 1 101 39 14 TRP HE3 H 7.521 0.03 1 102 39 14 TRP HZ2 H 6.838 0.03 1 103 39 14 TRP HZ3 H 7.138 0.03 1 104 39 14 TRP HH2 H 6.993 0.03 1 105 39 14 TRP CA C 54.938 0.50 1 106 39 14 TRP CB C 30.258 0.50 1 107 39 14 TRP N N 116.188 0.25 1 108 39 14 TRP NE1 N 129.654 0.25 1 109 40 15 ALA H H 8.937 0.03 1 110 40 15 ALA HA H 4.642 0.03 1 111 40 15 ALA HB H 1.290 0.03 1 112 40 15 ALA CA C 52.831 0.50 1 113 40 15 ALA CB C 19.343 0.50 1 114 40 15 ALA N N 122.473 0.25 1 115 41 16 GLN H H 8.235 0.03 1 116 41 16 GLN HA H 4.698 0.03 1 117 41 16 GLN HB2 H 2.169 0.03 1 118 41 16 GLN HB3 H 2.004 0.03 1 119 41 16 GLN HG2 H 2.607 0.03 1 120 41 16 GLN HG3 H 2.507 0.03 1 121 41 16 GLN HE21 H 7.661 0.03 1 122 41 16 GLN HE22 H 7.072 0.03 1 123 41 16 GLN CA C 54.567 0.50 1 124 41 16 GLN CB C 31.126 0.50 1 125 41 16 GLN CG C 33.731 0.50 1 126 41 16 GLN N N 121.500 0.25 1 127 41 16 GLN NE2 N 114.784 0.25 1 128 42 17 ALA H H 9.351 0.03 1 129 42 17 ALA HA H 2.990 0.03 1 130 42 17 ALA HB H 1.012 0.03 1 131 42 17 ALA CA C 54.071 0.50 1 132 42 17 ALA CB C 18.351 0.50 1 133 42 17 ALA N N 128.964 0.25 1 134 43 18 VAL H H 8.350 0.03 1 135 43 18 VAL HA H 4.097 0.03 1 136 43 18 VAL HB H 1.534 0.03 1 137 43 18 VAL HG1 H 1.043 0.03 1 138 43 18 VAL HG2 H 0.893 0.03 1 139 43 18 VAL CA C 63.249 0.50 1 140 43 18 VAL CB C 34.723 0.50 1 141 43 18 VAL CG1 C 22.072 0.50 1 142 43 18 VAL CG2 C 21.328 0.50 1 143 43 18 VAL N N 121.514 0.25 1 144 44 19 ASP H H 7.213 0.03 1 145 44 19 ASP HA H 4.974 0.03 1 146 44 19 ASP HB2 H 2.609 0.03 1 147 44 19 ASP HB3 H 2.357 0.03 1 148 44 19 ASP CA C 51.466 0.50 1 149 44 19 ASP CB C 43.032 0.50 1 150 44 19 ASP N N 113.289 0.25 1 151 45 20 PRO HA H 4.325 0.03 1 152 45 20 PRO HB2 H 2.318 0.03 1 153 45 20 PRO HB3 H 1.966 0.03 1 154 45 20 PRO HG2 H 1.947 0.03 1 155 45 20 PRO HG3 H 1.809 0.03 1 156 45 20 PRO HD2 H 3.812 0.03 1 157 45 20 PRO HD3 H 3.444 0.03 1 158 45 20 PRO CA C 64.241 0.50 1 159 45 20 PRO CB C 32.490 0.50 1 160 45 20 PRO CG C 27.158 0.50 1 161 45 20 PRO CD C 50.846 0.50 1 162 46 21 SER H H 8.439 0.03 1 163 46 21 SER HA H 3.886 0.03 1 164 46 21 SER HB2 H 4.110 0.03 2 165 46 21 SER HB3 H 4.110 0.03 2 166 46 21 SER CA C 62.257 0.50 1 167 46 21 SER CB C 62.257 0.50 1 168 46 21 SER N N 116.943 0.25 1 169 47 22 ILE H H 6.440 0.03 1 170 47 22 ILE HA H 4.437 0.03 1 171 47 22 ILE HB H 1.745 0.03 1 172 47 22 ILE HG12 H 1.103 0.03 2 173 47 22 ILE HG13 H 1.103 0.03 2 174 47 22 ILE HG2 H 0.562 0.03 1 175 47 22 ILE HD1 H 0.566 0.03 1 176 47 22 ILE CA C 60.272 0.50 1 177 47 22 ILE CB C 38.195 0.50 1 178 47 22 ILE CG1 C 26.166 0.50 1 179 47 22 ILE CG2 C 17.732 0.50 1 180 47 22 ILE CD1 C 13.390 0.50 1 181 47 22 ILE N N 111.992 0.25 1 182 48 23 ASN H H 7.634 0.03 1 183 48 23 ASN HA H 4.378 0.03 1 184 48 23 ASN HB2 H 3.330 0.03 1 185 48 23 ASN HB3 H 2.599 0.03 1 186 48 23 ASN HD21 H 7.304 0.03 1 187 48 23 ASN HD22 H 7.190 0.03 1 188 48 23 ASN CA C 53.327 0.50 1 189 48 23 ASN CB C 38.692 0.50 1 190 48 23 ASN N N 121.489 0.25 1 191 48 23 ASN ND2 N 107.959 0.25 1 192 49 24 LEU H H 7.866 0.03 1 193 49 24 LEU HA H 5.361 0.03 1 194 49 24 LEU HB2 H 1.757 0.03 1 195 49 24 LEU HB3 H 1.292 0.03 1 196 49 24 LEU HG H 1.373 0.03 1 197 49 24 LEU HD1 H 0.660 0.03 1 198 49 24 LEU HD2 H 0.869 0.03 1 199 49 24 LEU CA C 54.815 0.50 1 200 49 24 LEU CB C 43.467 0.50 1 201 49 24 LEU CG C 27.777 0.50 1 202 49 24 LEU CD1 C 27.777 0.50 1 203 49 24 LEU CD2 C 26.537 0.50 1 204 49 24 LEU N N 117.655 0.25 1 205 50 25 TYR H H 9.924 0.03 1 206 50 25 TYR HA H 5.188 0.03 1 207 50 25 TYR HB2 H 2.599 0.03 2 208 50 25 TYR HB3 H 2.599 0.03 2 209 50 25 TYR HD1 H 6.895 0.03 3 210 50 25 TYR HD2 H 6.895 0.03 3 211 50 25 TYR HE1 H 6.744 0.03 3 212 50 25 TYR HE2 H 6.744 0.03 3 213 50 25 TYR CA C 56.427 0.50 1 214 50 25 TYR CB C 43.653 0.50 1 215 50 25 TYR N N 128.042 0.25 1 216 51 26 ARG H H 9.747 0.03 1 217 51 26 ARG HA H 4.111 0.03 1 218 51 26 ARG HB2 H 1.762 0.03 1 219 51 26 ARG HB3 H 1.477 0.03 1 220 51 26 ARG HG2 H 1.247 0.03 2 221 51 26 ARG HG3 H 1.247 0.03 2 222 51 26 ARG HD2 H 3.049 0.03 2 223 51 26 ARG HD3 H 3.049 0.03 2 224 51 26 ARG CA C 56.427 0.50 1 225 51 26 ARG CB C 33.111 0.50 1 226 51 26 ARG CG C 26.662 0.50 1 227 51 26 ARG CD C 43.156 0.50 1 228 51 26 ARG N N 122.787 0.25 1 229 52 27 MET H H 9.268 0.03 1 230 52 27 MET HA H 4.294 0.03 1 231 52 27 MET HB2 H 1.946 0.03 2 232 52 27 MET HB3 H 1.946 0.03 2 233 52 27 MET HG2 H 2.276 0.03 2 234 52 27 MET HG3 H 2.276 0.03 2 235 52 27 MET HE H 1.779 0.03 1 236 52 27 MET CA C 57.419 0.50 1 237 52 27 MET CB C 33.482 0.50 1 238 52 27 MET CG C 32.119 0.50 1 239 52 27 MET CE C 12.294 0.50 1 240 52 27 MET N N 127.391 0.25 1 241 53 28 SER H H 8.654 0.03 1 242 53 28 SER HA H 4.822 0.03 1 243 53 28 SER HB2 H 4.267 0.03 2 244 53 28 SER HB3 H 4.267 0.03 2 245 53 28 SER CA C 56.303 0.50 1 246 53 28 SER CB C 62.876 0.50 1 247 53 28 SER N N 119.956 0.25 1 248 54 29 PRO HA H 4.236 0.03 1 249 54 29 PRO HB2 H 2.472 0.03 1 250 54 29 PRO HB3 H 1.865 0.03 1 251 54 29 PRO HG2 H 1.880 0.03 1 252 54 29 PRO HG3 H 1.810 0.03 1 253 54 29 PRO CA C 64.737 0.50 1 254 54 29 PRO CB C 33.111 0.50 1 255 54 29 PRO CG C 28.150 0.50 1 256 55 30 THR H H 7.800 0.03 1 257 55 30 THR HA H 4.441 0.03 1 258 55 30 THR HB H 4.703 0.03 1 259 55 30 THR HG2 H 0.970 0.03 1 260 55 30 THR CA C 59.776 0.50 1 261 55 30 THR CB C 68.829 0.50 1 262 55 30 THR CG2 C 22.320 0.50 1 263 55 30 THR N N 102.199 0.25 1 264 56 31 LEU H H 7.425 0.03 1 265 56 31 LEU HA H 5.304 0.03 1 266 56 31 LEU HB2 H 1.385 0.03 1 267 56 31 LEU HB3 H 0.881 0.03 1 268 56 31 LEU HG H 1.025 0.03 1 269 56 31 LEU HD1 H -0.289 0.03 1 270 56 31 LEU HD2 H 0.668 0.03 1 271 56 31 LEU CA C 55.559 0.50 1 272 56 31 LEU CB C 44.645 0.50 1 273 56 31 LEU CG C 27.281 0.50 1 274 56 31 LEU CD1 C 25.049 0.50 1 275 56 31 LEU CD2 C 22.568 0.50 1 276 56 31 LEU N N 125.855 0.25 1 277 57 32 TYR H H 9.343 0.03 1 278 57 32 TYR HA H 5.127 0.03 1 279 57 32 TYR HB2 H 2.909 0.03 1 280 57 32 TYR HB3 H 2.711 0.03 1 281 57 32 TYR HD1 H 6.813 0.03 3 282 57 32 TYR HD2 H 6.813 0.03 3 283 57 32 TYR HE1 H 6.626 0.03 3 284 57 32 TYR HE2 H 6.626 0.03 3 285 57 32 TYR CA C 56.303 0.50 1 286 57 32 TYR CB C 42.412 0.50 1 287 57 32 TYR N N 126.620 0.25 1 288 58 33 ARG H H 9.137 0.03 1 289 58 33 ARG HA H 6.063 0.03 1 290 58 33 ARG HB2 H 1.953 0.03 1 291 58 33 ARG HB3 H 1.197 0.03 1 292 58 33 ARG CA C 51.962 0.50 1 293 58 33 ARG CB C 33.731 0.50 1 294 58 33 ARG N N 117.008 0.25 1 295 59 34 SER H H 8.731 0.03 1 296 59 34 SER HA H 5.475 0.03 1 297 59 34 SER HB2 H 4.173 0.03 1 298 59 34 SER HB3 H 3.714 0.03 1 299 59 34 SER CA C 59.776 0.50 1 300 59 34 SER CB C 67.837 0.50 1 301 59 34 SER N N 117.037 0.25 1 302 60 35 ALA H H 7.761 0.03 1 303 60 35 ALA HA H 3.974 0.03 1 304 60 35 ALA HB H 1.308 0.03 1 305 60 35 ALA CA C 51.094 0.50 1 306 60 35 ALA CB C 20.088 0.50 1 307 60 35 ALA N N 115.120 0.25 1 308 61 36 LEU H H 7.508 0.03 1 309 61 36 LEU HA H 3.638 0.03 1 310 61 36 LEU HB2 H 1.579 0.03 2 311 61 36 LEU HB3 H 1.579 0.03 2 312 61 36 LEU HG H 1.579 0.03 1 313 61 36 LEU HD1 H 0.784 0.03 1 314 61 36 LEU HD2 H 0.813 0.03 1 315 61 36 LEU CA C 53.946 0.50 1 316 61 36 LEU CB C 42.536 0.50 1 317 61 36 LEU CG C 26.166 0.50 1 318 61 36 LEU CD1 C 26.166 0.50 1 319 61 36 LEU CD2 C 24.181 0.50 1 320 61 36 LEU N N 122.688 0.25 1 321 63 38 ASN H H 6.634 0.03 1 322 63 38 ASN HA H 4.214 0.03 1 323 63 38 ASN HB2 H 2.837 0.03 1 324 63 38 ASN HB3 H 2.538 0.03 1 325 63 38 ASN HD21 H 7.472 0.03 1 326 63 38 ASN HD22 H 6.647 0.03 1 327 63 38 ASN CA C 50.846 0.50 1 328 63 38 ASN CB C 40.924 0.50 1 329 63 38 ASN N N 108.727 0.25 1 330 63 38 ASN ND2 N 114.540 0.25 1 331 64 39 ALA H H 8.919 0.03 1 332 64 39 ALA HA H 4.528 0.03 1 333 64 39 ALA HB H 1.551 0.03 1 334 64 39 ALA CA C 55.311 0.50 1 335 64 39 ALA CB C 18.351 0.50 1 336 64 39 ALA N N 121.566 0.25 1 337 65 40 GLN H H 8.456 0.03 1 338 65 40 GLN HA H 4.154 0.03 1 339 65 40 GLN HB2 H 2.116 0.03 2 340 65 40 GLN HB3 H 2.116 0.03 2 341 65 40 GLN HG2 H 2.367 0.03 2 342 65 40 GLN HG3 H 2.367 0.03 2 343 65 40 GLN CA C 58.040 0.50 1 344 65 40 GLN CB C 27.777 0.50 1 345 65 40 GLN CG C 34.723 0.50 1 346 65 40 GLN N N 116.181 0.25 1 347 66 41 SER H H 8.051 0.03 1 348 66 41 SER HA H 4.369 0.03 1 349 66 41 SER HB2 H 3.628 0.03 2 350 66 41 SER HB3 H 3.628 0.03 2 351 66 41 SER CA C 59.032 0.50 1 352 66 41 SER CB C 62.505 0.50 1 353 66 41 SER N N 114.566 0.25 1 354 67 42 VAL H H 7.301 0.03 1 355 67 42 VAL HA H 3.277 0.03 1 356 67 42 VAL HB H 2.132 0.03 1 357 67 42 VAL HG1 H 1.331 0.03 1 358 67 42 VAL HG2 H 0.888 0.03 1 359 67 42 VAL CA C 68.458 0.50 1 360 67 42 VAL CB C 31.746 0.50 1 361 67 42 VAL CG1 C 24.553 0.50 1 362 67 42 VAL CG2 C 21.080 0.50 1 363 67 42 VAL N N 119.947 0.25 1 364 68 43 ALA H H 8.182 0.03 1 365 68 43 ALA HA H 4.066 0.03 1 366 68 43 ALA HB H 1.324 0.03 1 367 68 43 ALA CA C 55.559 0.50 1 368 68 43 ALA CB C 17.732 0.50 1 369 68 43 ALA N N 121.034 0.25 1 370 69 44 LEU H H 7.389 0.03 1 371 69 44 LEU HA H 3.971 0.03 1 372 69 44 LEU HB2 H 1.806 0.03 1 373 69 44 LEU HB3 H 1.586 0.03 1 374 69 44 LEU HG H 1.199 0.03 1 375 69 44 LEU HD1 H 0.789 0.03 1 376 69 44 LEU HD2 H 0.667 0.03 1 377 69 44 LEU CA C 58.411 0.50 1 378 69 44 LEU CB C 40.924 0.50 1 379 69 44 LEU CG C 27.158 0.50 1 380 69 44 LEU CD1 C 26.662 0.50 1 381 69 44 LEU CD2 C 26.662 0.50 1 382 69 44 LEU N N 120.794 0.25 1 383 70 45 LEU H H 7.896 0.03 1 384 70 45 LEU HA H 3.537 0.03 1 385 70 45 LEU HB2 H 1.813 0.03 1 386 70 45 LEU HB3 H 1.115 0.03 1 387 70 45 LEU HG H 1.710 0.03 1 388 70 45 LEU HD1 H 0.702 0.03 1 389 70 45 LEU HD2 H 0.562 0.03 1 390 70 45 LEU CA C 58.411 0.50 1 391 70 45 LEU CB C 40.180 0.50 1 392 70 45 LEU CG C 27.158 0.50 1 393 70 45 LEU CD1 C 24.677 0.50 1 394 70 45 LEU CD2 C 23.064 0.50 1 395 70 45 LEU N N 117.425 0.25 1 396 71 46 GLN H H 8.247 0.03 1 397 71 46 GLN HA H 4.033 0.03 1 398 71 46 GLN HB2 H 2.114 0.03 1 399 71 46 GLN HB3 H 1.975 0.03 1 400 71 46 GLN HG2 H 2.357 0.03 2 401 71 46 GLN HG3 H 2.357 0.03 2 402 71 46 GLN CA C 59.032 0.50 1 403 71 46 GLN CB C 28.521 0.50 1 404 71 46 GLN CG C 34.227 0.50 1 405 71 46 GLN N N 116.979 0.25 1 406 72 47 ARG H H 7.939 0.03 1 407 72 47 ARG HA H 4.001 0.03 1 408 72 47 ARG HB2 H 1.969 0.03 1 409 72 47 ARG HB3 H 1.898 0.03 1 410 72 47 ARG HG2 H 1.748 0.03 1 411 72 47 ARG HG3 H 1.561 0.03 1 412 72 47 ARG HD2 H 3.137 0.03 2 413 72 47 ARG HD3 H 3.137 0.03 2 414 72 47 ARG CA C 59.776 0.50 1 415 72 47 ARG CB C 29.514 0.50 1 416 72 47 ARG CG C 27.529 0.50 1 417 72 47 ARG CD C 43.653 0.50 1 418 72 47 ARG N N 123.740 0.25 1 419 73 48 LEU H H 7.844 0.03 1 420 73 48 LEU HA H 4.055 0.03 1 421 73 48 LEU HB2 H 1.402 0.03 1 422 73 48 LEU HB3 H 1.131 0.03 1 423 73 48 LEU HG H 1.660 0.03 1 424 73 48 LEU HD1 H 0.148 0.03 1 425 73 48 LEU HD2 H 0.677 0.03 1 426 73 48 LEU CA C 54.815 0.50 1 427 73 48 LEU CB C 41.668 0.50 1 428 73 48 LEU CG C 25.297 0.50 1 429 73 48 LEU CD1 C 25.297 0.50 1 430 73 48 LEU CD2 C 20.709 0.50 1 431 73 48 LEU N N 117.586 0.25 1 432 74 49 GLN H H 7.583 0.03 1 433 74 49 GLN HA H 3.686 0.03 1 434 74 49 GLN HB2 H 2.344 0.03 1 435 74 49 GLN HB3 H 2.181 0.03 1 436 74 49 GLN HG2 H 2.182 0.03 2 437 74 49 GLN HG3 H 2.182 0.03 2 438 74 49 GLN HE21 H 7.634 0.03 1 439 74 49 GLN HE22 H 6.707 0.03 1 440 74 49 GLN CA C 56.055 0.50 1 441 74 49 GLN CB C 25.545 0.50 1 442 74 49 GLN CG C 33.607 0.50 1 443 74 49 GLN N N 112.160 0.25 1 444 74 49 GLN NE2 N 108.446 0.25 1 445 75 50 VAL H H 7.424 0.03 1 446 75 50 VAL HA H 3.330 0.03 1 447 75 50 VAL HB H 1.514 0.03 1 448 75 50 VAL HG1 H 0.671 0.03 1 449 75 50 VAL HG2 H 0.550 0.03 1 450 75 50 VAL CA C 64.364 0.50 1 451 75 50 VAL CB C 31.746 0.50 1 452 75 50 VAL CG1 C 22.693 0.50 1 453 75 50 VAL CG2 C 22.693 0.50 1 454 75 50 VAL N N 115.586 0.25 1 455 76 51 LYS H H 8.274 0.03 1 456 76 51 LYS HA H 4.538 0.03 1 457 76 51 LYS HB2 H 1.799 0.03 2 458 76 51 LYS HB3 H 1.799 0.03 2 459 76 51 LYS HG2 H 1.556 0.03 2 460 76 51 LYS HG3 H 1.556 0.03 2 461 76 51 LYS HD2 H 1.585 0.03 2 462 76 51 LYS HD3 H 1.585 0.03 2 463 76 51 LYS HE2 H 2.998 0.03 2 464 76 51 LYS HE3 H 2.998 0.03 2 465 76 51 LYS CA C 55.931 0.50 1 466 76 51 LYS CB C 33.979 0.50 1 467 76 51 LYS CG C 23.685 0.50 1 468 76 51 LYS CD C 28.646 0.50 1 469 76 51 LYS CE C 43.529 0.50 1 470 76 51 LYS N N 125.355 0.25 1 471 77 52 THR H H 7.225 0.03 1 472 77 52 THR HA H 5.035 0.03 1 473 77 52 THR HB H 3.658 0.03 1 474 77 52 THR HG2 H 0.863 0.03 1 475 77 52 THR CA C 61.760 0.50 1 476 77 52 THR CB C 71.434 0.50 1 477 77 52 THR CG2 C 21.328 0.50 1 478 77 52 THR N N 115.661 0.25 1 479 78 53 VAL H H 9.077 0.03 1 480 78 53 VAL HA H 4.917 0.03 1 481 78 53 VAL HB H 1.762 0.03 1 482 78 53 VAL HG1 H 1.004 0.03 1 483 78 53 VAL HG2 H 0.802 0.03 1 484 78 53 VAL CA C 60.520 0.50 1 485 78 53 VAL CB C 33.731 0.50 1 486 78 53 VAL CG1 C 22.816 0.50 1 487 78 53 VAL CG2 C 21.824 0.50 1 488 78 53 VAL N N 126.214 0.25 1 489 79 54 VAL H H 9.605 0.03 1 490 79 54 VAL HA H 4.597 0.03 1 491 79 54 VAL HB H 1.388 0.03 1 492 79 54 VAL HG1 H 0.156 0.03 1 493 79 54 VAL HG2 H 0.485 0.03 1 494 79 54 VAL CA C 59.899 0.50 1 495 79 54 VAL CB C 33.111 0.50 1 496 79 54 VAL CG1 C 21.080 0.50 1 497 79 54 VAL CG2 C 20.088 0.50 1 498 79 54 VAL N N 130.201 0.25 1 499 80 55 SER HA H 4.500 0.03 1 500 80 55 SER HB2 H 3.659 0.03 1 501 80 55 SER HB3 H 3.627 0.03 1 502 80 55 SER CA C 55.311 0.50 1 503 80 55 SER CB C 63.868 0.50 1 504 82 57 ILE HA H 4.880 0.03 1 505 82 57 ILE HB H 2.202 0.03 1 506 82 57 ILE HG12 H 1.385 0.03 2 507 82 57 ILE HG13 H 1.385 0.03 2 508 82 57 ILE HG2 H 0.906 0.03 1 509 82 57 ILE HD1 H 0.840 0.03 1 510 82 57 ILE CA C 59.899 0.50 1 511 82 57 ILE CB C 41.048 0.50 1 512 82 57 ILE CG1 C 26.166 0.50 1 513 82 57 ILE CG2 C 18.724 0.50 1 514 82 57 ILE CD1 C 13.267 0.50 1 515 83 58 LYS HA H 3.720 0.03 1 516 83 58 LYS HB2 H 1.743 0.03 2 517 83 58 LYS HB3 H 1.743 0.03 2 518 83 58 LYS HG2 H 1.346 0.03 2 519 83 58 LYS HG3 H 1.346 0.03 2 520 83 58 LYS HD2 H 1.613 0.03 2 521 83 58 LYS HD3 H 1.613 0.03 2 522 83 58 LYS HE2 H 2.911 0.03 2 523 83 58 LYS HE3 H 2.911 0.03 2 524 83 58 LYS CA C 57.915 0.50 1 525 83 58 LYS CB C 32.738 0.50 1 526 83 58 LYS CG C 25.173 0.50 1 527 83 58 LYS CD C 29.142 0.50 1 528 83 58 LYS CE C 42.040 0.50 1 529 84 59 ASP H H 8.141 0.03 1 530 84 59 ASP HA H 4.100 0.03 1 531 84 59 ASP HB2 H 2.481 0.03 2 532 84 59 ASP HB3 H 2.481 0.03 2 533 84 59 ASP CA C 54.815 0.50 1 534 84 59 ASP CB C 39.684 0.50 1 535 84 59 ASP N N 118.262 0.25 1 536 85 60 ASP H H 8.725 0.03 1 537 85 60 ASP HA H 4.477 0.03 1 538 85 60 ASP HB2 H 2.878 0.03 1 539 85 60 ASP HB3 H 2.619 0.03 1 540 85 60 ASP CA C 53.450 0.50 1 541 85 60 ASP CB C 41.668 0.50 1 542 85 60 ASP N N 123.616 0.25 1 543 86 61 ASP H H 9.124 0.03 1 544 86 61 ASP HA H 4.487 0.03 1 545 86 61 ASP HB2 H 2.314 0.03 1 546 86 61 ASP HB3 H 2.066 0.03 1 547 86 61 ASP CA C 56.427 0.50 1 548 86 61 ASP CB C 39.064 0.50 1 549 86 61 ASP N N 129.411 0.25 1 550 87 62 ARG H H 8.488 0.03 1 551 87 62 ARG HA H 3.506 0.03 1 552 87 62 ARG HB2 H 1.830 0.03 1 553 87 62 ARG HB3 H 1.661 0.03 1 554 87 62 ARG HG2 H 1.437 0.03 2 555 87 62 ARG HG3 H 1.437 0.03 2 556 87 62 ARG HD2 H 3.066 0.03 2 557 87 62 ARG HD3 H 3.066 0.03 2 558 87 62 ARG CA C 58.536 0.50 1 559 87 62 ARG CB C 28.273 0.50 1 560 87 62 ARG CG C 27.281 0.50 1 561 87 62 ARG CD C 43.032 0.50 1 562 87 62 ARG N N 118.801 0.25 1 563 88 63 ALA H H 7.320 0.03 1 564 88 63 ALA HA H 3.972 0.03 1 565 88 63 ALA HB H 1.435 0.03 1 566 88 63 ALA CA C 55.063 0.50 1 567 88 63 ALA CB C 18.599 0.50 1 568 88 63 ALA N N 120.250 0.25 1 569 89 64 TRP H H 6.630 0.03 1 570 89 64 TRP HA H 4.766 0.03 1 571 89 64 TRP HB2 H 3.039 0.03 1 572 89 64 TRP HB3 H 2.875 0.03 1 573 89 64 TRP HD1 H 6.563 0.03 1 574 89 64 TRP HE1 H 10.168 0.03 1 575 89 64 TRP HE3 H 6.889 0.03 1 576 89 64 TRP HZ2 H 7.132 0.03 1 577 89 64 TRP HZ3 H 6.391 0.03 1 578 89 64 TRP HH2 H 6.433 0.03 1 579 89 64 TRP CA C 55.807 0.50 1 580 89 64 TRP CB C 29.638 0.50 1 581 89 64 TRP N N 110.977 0.25 1 582 89 64 TRP NE1 N 132.335 0.25 1 583 90 65 LEU H H 6.876 0.03 1 584 90 65 LEU HA H 3.467 0.03 1 585 90 65 LEU HB2 H 0.816 0.03 1 586 90 65 LEU HB3 H 0.628 0.03 1 587 90 65 LEU HG H 0.197 0.03 1 588 90 65 LEU HD1 H -0.053 0.03 1 589 90 65 LEU HD2 H -0.524 0.03 1 590 90 65 LEU CA C 56.303 0.50 1 591 90 65 LEU CB C 43.653 0.50 1 592 90 65 LEU CG C 24.677 0.50 1 593 90 65 LEU CD1 C 25.670 0.50 1 594 90 65 LEU CD2 C 25.173 0.50 1 595 90 65 LEU N N 123.553 0.25 1 596 91 66 GLY H H 7.595 0.03 1 597 91 66 GLY HA2 H 3.679 0.03 1 598 91 66 GLY HA3 H 3.580 0.03 1 599 91 66 GLY CA C 46.629 0.50 1 600 91 66 GLY N N 106.465 0.25 1 601 92 67 GLN HA H 4.212 0.03 1 602 92 67 GLN HB2 H 2.234 0.03 1 603 92 67 GLN HB3 H 1.741 0.03 1 604 92 67 GLN HG2 H 2.234 0.03 2 605 92 67 GLN HG3 H 2.234 0.03 2 606 92 67 GLN CA C 54.442 0.50 1 607 92 67 GLN CB C 27.777 0.50 1 608 92 67 GLN CG C 33.979 0.50 1 609 93 68 ALA H H 7.375 0.03 1 610 93 68 ALA HA H 3.861 0.03 1 611 93 68 ALA HB H 1.382 0.03 1 612 93 68 ALA CA C 51.962 0.50 1 613 93 68 ALA CB C 17.732 0.50 1 614 93 68 ALA N N 124.140 0.25 1 615 94 69 PRO HA H 4.642 0.03 1 616 94 69 PRO HB2 H 1.733 0.03 2 617 94 69 PRO HB3 H 1.733 0.03 2 618 94 69 PRO HG2 H 2.221 0.03 2 619 94 69 PRO HG3 H 2.221 0.03 2 620 94 69 PRO HD2 H 4.236 0.03 2 621 94 69 PRO HD3 H 4.236 0.03 2 622 94 69 PRO CA C 62.753 0.50 1 623 94 69 PRO CB C 28.025 0.50 1 624 94 69 PRO CG C 28.025 0.50 1 625 94 69 PRO CD C 52.334 0.50 1 626 95 70 VAL H H 7.931 0.03 1 627 95 70 VAL HA H 4.042 0.03 1 628 95 70 VAL HB H 1.426 0.03 1 629 95 70 VAL HG1 H 0.479 0.03 1 630 95 70 VAL HG2 H 0.465 0.03 1 631 95 70 VAL CA C 59.776 0.50 1 632 95 70 VAL CB C 35.219 0.50 1 633 95 70 VAL CG1 C 21.701 0.50 1 634 95 70 VAL CG2 C 21.019 0.50 1 635 95 70 VAL N N 122.985 0.25 1 636 96 71 ARG H H 8.299 0.03 1 637 96 71 ARG HA H 4.227 0.03 1 638 96 71 ARG HB2 H 1.770 0.03 2 639 96 71 ARG HB3 H 1.770 0.03 2 640 96 71 ARG HG2 H 1.551 0.03 2 641 96 71 ARG HG3 H 1.551 0.03 2 642 96 71 ARG HD2 H 3.102 0.03 2 643 96 71 ARG HD3 H 3.102 0.03 2 644 96 71 ARG CA C 55.931 0.50 1 645 96 71 ARG CB C 31.126 0.50 1 646 96 71 ARG CG C 28.150 0.50 1 647 96 71 ARG CD C 43.653 0.50 1 648 96 71 ARG N N 126.087 0.25 1 649 97 72 VAL H H 8.281 0.03 1 650 97 72 VAL HA H 4.477 0.03 1 651 97 72 VAL HB H 1.823 0.03 1 652 97 72 VAL HG1 H 0.719 0.03 1 653 97 72 VAL HG2 H 0.594 0.03 1 654 97 72 VAL CA C 61.512 0.50 1 655 97 72 VAL CB C 33.482 0.50 1 656 97 72 VAL CG1 C 21.824 0.50 1 657 97 72 VAL CG2 C 21.576 0.50 1 658 97 72 VAL N N 124.533 0.25 1 659 98 73 VAL H H 8.685 0.03 1 660 98 73 VAL HA H 4.047 0.03 1 661 98 73 VAL HB H 1.720 0.03 1 662 98 73 VAL HG1 H 0.703 0.03 1 663 98 73 VAL HG2 H 0.615 0.03 1 664 98 73 VAL CA C 61.512 0.50 1 665 98 73 VAL CB C 33.979 0.50 1 666 98 73 VAL CG1 C 20.336 0.50 1 667 98 73 VAL CG2 C 19.840 0.50 1 668 98 73 VAL N N 128.682 0.25 1 669 99 74 SER H H 8.645 0.03 1 670 99 74 SER HA H 4.700 0.03 1 671 99 74 SER HB2 H 3.637 0.03 1 672 99 74 SER HB3 H 3.518 0.03 1 673 99 74 SER CA C 57.047 0.50 1 674 99 74 SER CB C 63.497 0.50 1 675 99 74 SER N N 122.791 0.25 1 676 100 75 LEU H H 8.984 0.03 1 677 100 75 LEU HA H 4.697 0.03 1 678 100 75 LEU HB2 H 1.488 0.03 1 679 100 75 LEU HB3 H 1.370 0.03 1 680 100 75 LEU HG H 1.181 0.03 1 681 100 75 LEU HD1 H 0.601 0.03 1 682 100 75 LEU HD2 H 0.733 0.03 1 683 100 75 LEU CA C 52.086 0.50 1 684 100 75 LEU CB C 42.536 0.50 1 685 100 75 LEU CG C 26.166 0.50 1 686 100 75 LEU CD1 C 25.793 0.50 1 687 100 75 LEU CD2 C 23.189 0.50 1 688 100 75 LEU N N 129.974 0.25 1 689 101 76 PRO HA H 3.879 0.03 1 690 101 76 PRO HB2 H 1.763 0.03 1 691 101 76 PRO HB3 H 1.459 0.03 1 692 101 76 PRO HD2 H 3.311 0.03 2 693 101 76 PRO HD3 H 3.311 0.03 2 694 101 76 PRO CA C 62.876 0.50 1 695 101 76 PRO CB C 31.623 0.50 1 696 101 76 PRO CD C 49.978 0.50 1 697 102 77 THR H H 7.850 0.03 1 698 102 77 THR HA H 4.429 0.03 1 699 102 77 THR HB H 4.016 0.03 1 700 102 77 THR HG2 H 1.117 0.03 1 701 102 77 THR CA C 60.520 0.50 1 702 102 77 THR CB C 69.202 0.50 1 703 102 77 THR CG2 C 20.336 0.50 1 704 102 77 THR N N 115.343 0.25 1 705 103 78 HIS H H 8.689 0.03 1 706 103 78 HIS HA H 4.613 0.03 1 707 103 78 HIS HB2 H 3.119 0.03 1 708 103 78 HIS HB3 H 2.806 0.03 1 709 103 78 HIS CA C 56.427 0.50 1 710 103 78 HIS CB C 31.623 0.50 1 711 103 78 HIS N N 123.830 0.25 1 712 104 79 ALA HA H 4.057 0.03 1 713 104 79 ALA HB H 1.307 0.03 1 714 104 79 ALA CA C 52.954 0.50 1 715 104 79 ALA CB C 19.220 0.50 1 716 105 80 ASP H H 8.631 0.03 1 717 105 80 ASP HA H 4.308 0.03 1 718 105 80 ASP HB2 H 2.597 0.03 2 719 105 80 ASP HB3 H 2.597 0.03 2 720 105 80 ASP CA C 55.063 0.50 1 721 105 80 ASP CB C 39.932 0.50 1 722 105 80 ASP N N 114.540 0.25 1 723 106 81 ARG H H 7.504 0.03 1 724 106 81 ARG HA H 4.430 0.03 1 725 106 81 ARG HB2 H 1.775 0.03 1 726 106 81 ARG HB3 H 1.585 0.03 1 727 106 81 ARG HG2 H 1.486 0.03 2 728 106 81 ARG HG3 H 1.486 0.03 2 729 106 81 ARG HD2 H 3.042 0.03 2 730 106 81 ARG HD3 H 3.042 0.03 2 731 106 81 ARG CA C 54.442 0.50 1 732 106 81 ARG CB C 31.623 0.50 1 733 106 81 ARG CG C 26.289 0.50 1 734 106 81 ARG CD C 43.405 0.50 1 735 106 81 ARG N N 117.273 0.25 1 736 107 82 VAL H H 7.515 0.03 1 737 107 82 VAL HA H 3.832 0.03 1 738 107 82 VAL HB H 1.384 0.03 1 739 107 82 VAL HG1 H 0.580 0.03 1 740 107 82 VAL HG2 H 0.209 0.03 1 741 107 82 VAL CA C 63.001 0.50 1 742 107 82 VAL CB C 31.994 0.50 1 743 107 82 VAL CG1 C 22.072 0.50 1 744 107 82 VAL CG2 C 21.576 0.50 1 745 107 82 VAL N N 122.894 0.25 1 746 108 83 ASP H H 7.377 0.03 1 747 108 83 ASP HA H 4.883 0.03 1 748 108 83 ASP HB2 H 3.021 0.03 1 749 108 83 ASP HB3 H 2.658 0.03 1 750 108 83 ASP CA C 51.590 0.50 1 751 108 83 ASP CB C 43.405 0.50 1 752 108 83 ASP N N 123.993 0.25 1 753 109 84 ASP H H 8.414 0.03 1 754 109 84 ASP HA H 4.314 0.03 1 755 109 84 ASP HB2 H 2.582 0.03 2 756 109 84 ASP HB3 H 2.582 0.03 2 757 109 84 ASP CA C 57.544 0.50 1 758 109 84 ASP CB C 40.428 0.50 1 759 109 84 ASP N N 119.415 0.25 1 760 110 85 ALA H H 8.067 0.03 1 761 110 85 ALA HA H 3.973 0.03 1 762 110 85 ALA HB H 1.398 0.03 1 763 110 85 ALA CA C 54.938 0.50 1 764 110 85 ALA CB C 18.228 0.50 1 765 110 85 ALA N N 119.892 0.25 1 766 111 86 GLU H H 8.090 0.03 1 767 111 86 GLU HA H 4.005 0.03 1 768 111 86 GLU HB2 H 2.205 0.03 1 769 111 86 GLU HB3 H 2.118 0.03 1 770 111 86 GLU HG2 H 2.432 0.03 2 771 111 86 GLU HG3 H 2.432 0.03 2 772 111 86 GLU CA C 59.403 0.50 1 773 111 86 GLU CB C 30.010 0.50 1 774 111 86 GLU CG C 37.079 0.50 1 775 111 86 GLU N N 121.668 0.25 1 776 112 87 VAL H H 7.935 0.03 1 777 112 87 VAL HA H 3.458 0.03 1 778 112 87 VAL HB H 2.268 0.03 1 779 112 87 VAL HG1 H 0.673 0.03 1 780 112 87 VAL HG2 H 0.805 0.03 1 781 112 87 VAL CA C 67.962 0.50 1 782 112 87 VAL CB C 31.746 0.50 1 783 112 87 VAL CG1 C 23.312 0.50 1 784 112 87 VAL CG2 C 22.568 0.50 1 785 112 87 VAL N N 118.939 0.25 1 786 113 88 LEU H H 8.403 0.03 1 787 113 88 LEU HA H 3.896 0.03 1 788 113 88 LEU HB2 H 1.740 0.03 1 789 113 88 LEU HB3 H 1.456 0.03 1 790 113 88 LEU HG H 1.608 0.03 1 791 113 88 LEU HD1 H 0.757 0.03 1 792 113 88 LEU HD2 H 0.726 0.03 1 793 113 88 LEU CA C 58.536 0.50 1 794 113 88 LEU CB C 41.916 0.50 1 795 113 88 LEU CG C 27.529 0.50 1 796 113 88 LEU CD1 C 25.297 0.50 1 797 113 88 LEU CD2 C 23.808 0.50 1 798 113 88 LEU N N 118.215 0.25 1 799 114 89 SER H H 7.774 0.03 1 800 114 89 SER HA H 4.127 0.03 1 801 114 89 SER HB2 H 4.015 0.03 1 802 114 89 SER HB3 H 3.960 0.03 1 803 114 89 SER CA C 61.512 0.50 1 804 114 89 SER CB C 63.001 0.50 1 805 114 89 SER N N 112.400 0.25 1 806 115 90 VAL H H 8.482 0.03 1 807 115 90 VAL HA H 3.323 0.03 1 808 115 90 VAL HB H 1.740 0.03 1 809 115 90 VAL HG1 H 0.546 0.03 1 810 115 90 VAL HG2 H 0.210 0.03 1 811 115 90 VAL CA C 67.466 0.50 1 812 115 90 VAL CB C 31.250 0.50 1 813 115 90 VAL CG1 C 22.816 0.50 1 814 115 90 VAL CG2 C 20.832 0.50 1 815 115 90 VAL N N 121.751 0.25 1 816 116 91 LEU H H 8.804 0.03 1 817 116 91 LEU HA H 3.972 0.03 1 818 116 91 LEU HB2 H 2.054 0.03 1 819 116 91 LEU HB3 H 1.069 0.03 1 820 116 91 LEU HG H 2.055 0.03 1 821 116 91 LEU HD1 H 0.669 0.03 1 822 116 91 LEU HD2 H 0.841 0.03 1 823 116 91 LEU CA C 58.784 0.50 1 824 116 91 LEU CB C 41.172 0.50 1 825 116 91 LEU CG C 26.662 0.50 1 826 116 91 LEU CD1 C 26.041 0.50 1 827 116 91 LEU CD2 C 23.560 0.50 1 828 116 91 LEU N N 118.228 0.25 1 829 117 92 ARG H H 8.377 0.03 1 830 117 92 ARG HA H 3.971 0.03 1 831 117 92 ARG HB2 H 1.903 0.03 1 832 117 92 ARG HB3 H 1.759 0.03 1 833 117 92 ARG HG2 H 1.567 0.03 2 834 117 92 ARG HG3 H 1.567 0.03 2 835 117 92 ARG HD2 H 3.093 0.03 2 836 117 92 ARG HD3 H 3.093 0.03 2 837 117 92 ARG CA C 60.272 0.50 1 838 117 92 ARG CB C 29.514 0.50 1 839 117 92 ARG CG C 27.158 0.50 1 840 117 92 ARG CD C 44.025 0.50 1 841 117 92 ARG N N 117.465 0.25 1 842 118 93 GLN HA H 3.989 0.03 1 843 118 93 GLN HB2 H 2.120 0.03 1 844 118 93 GLN HB3 H 1.974 0.03 1 845 118 93 GLN HG2 H 2.421 0.03 2 846 118 93 GLN HG3 H 2.421 0.03 2 847 118 93 GLN HE21 H 7.227 0.03 1 848 118 93 GLN HE22 H 6.705 0.03 1 849 118 93 GLN CA C 59.528 0.50 1 850 118 93 GLN CB C 28.769 0.50 1 851 118 93 GLN CG C 34.599 0.50 1 852 118 93 GLN NE2 N 110.640 0.25 1 853 119 94 LEU H H 8.907 0.03 1 854 119 94 LEU HA H 3.927 0.03 1 855 119 94 LEU HB2 H 1.312 0.03 2 856 119 94 LEU HB3 H 1.312 0.03 2 857 119 94 LEU HG H 1.553 0.03 1 858 119 94 LEU HD1 H 0.862 0.03 1 859 119 94 LEU HD2 H 0.768 0.03 1 860 119 94 LEU CA C 58.288 0.50 1 861 119 94 LEU CB C 41.916 0.50 1 862 119 94 LEU CG C 31.623 0.50 1 863 119 94 LEU CD1 C 27.033 0.50 1 864 119 94 LEU CD2 C 23.189 0.50 1 865 119 94 LEU N N 121.457 0.25 1 866 120 95 GLN H H 8.187 0.03 1 867 120 95 GLN HA H 4.299 0.03 1 868 120 95 GLN HB2 H 2.008 0.03 2 869 120 95 GLN HB3 H 2.008 0.03 2 870 120 95 GLN HG2 H 2.456 0.03 1 871 120 95 GLN HG3 H 2.140 0.03 1 872 120 95 GLN HE21 H 7.175 0.03 1 873 120 95 GLN HE22 H 6.670 0.03 1 874 120 95 GLN CA C 59.528 0.50 1 875 120 95 GLN CB C 29.638 0.50 1 876 120 95 GLN CG C 35.095 0.50 1 877 120 95 GLN N N 115.772 0.25 1 878 120 95 GLN NE2 N 110.884 0.25 1 879 121 96 ALA H H 7.945 0.03 1 880 121 96 ALA HA H 3.977 0.03 1 881 121 96 ALA HB H 1.411 0.03 1 882 121 96 ALA CA C 54.938 0.50 1 883 121 96 ALA CB C 18.228 0.50 1 884 121 96 ALA N N 120.176 0.25 1 885 122 97 ALA H H 7.944 0.03 1 886 122 97 ALA HA H 4.148 0.03 1 887 122 97 ALA HB H 1.426 0.03 1 888 122 97 ALA CA C 60.520 0.50 1 889 122 97 ALA CB C 18.103 0.50 1 890 122 97 ALA N N 122.247 0.25 1 891 123 98 GLU H H 8.610 0.03 1 892 123 98 GLU HA H 4.622 0.03 1 893 123 98 GLU HB2 H 2.160 0.03 1 894 123 98 GLU HB3 H 1.994 0.03 1 895 123 98 GLU HG2 H 2.662 0.03 1 896 123 98 GLU HG3 H 2.160 0.03 1 897 123 98 GLU CA C 59.899 0.50 1 898 123 98 GLU CB C 31.623 0.50 1 899 123 98 GLU CG C 38.568 0.50 1 900 123 98 GLU N N 121.164 0.25 1 901 124 99 ARG H H 7.223 0.03 1 902 124 99 ARG HA H 4.028 0.03 1 903 124 99 ARG HB2 H 1.884 0.03 2 904 124 99 ARG HB3 H 1.884 0.03 2 905 124 99 ARG HG2 H 1.588 0.03 2 906 124 99 ARG HG3 H 1.588 0.03 2 907 124 99 ARG HD2 H 3.182 0.03 2 908 124 99 ARG HD3 H 3.182 0.03 2 909 124 99 ARG CA C 58.411 0.50 1 910 124 99 ARG CB C 29.638 0.50 1 911 124 99 ARG CG C 27.158 0.50 1 912 124 99 ARG CD C 43.405 0.50 1 913 124 99 ARG N N 115.660 0.25 1 914 125 100 GLU H H 7.623 0.03 1 915 125 100 GLU HA H 4.254 0.03 1 916 125 100 GLU HB2 H 1.983 0.03 1 917 125 100 GLU HB3 H 1.878 0.03 1 918 125 100 GLU HG2 H 2.185 0.03 2 919 125 100 GLU HG3 H 2.185 0.03 2 920 125 100 GLU CA C 56.303 0.50 1 921 125 100 GLU CB C 30.630 0.50 1 922 125 100 GLU CG C 36.211 0.50 1 923 125 100 GLU N N 115.774 0.25 1 924 126 101 GLY H H 7.547 0.03 1 925 126 101 GLY HA2 H 4.283 0.03 1 926 126 101 GLY HA3 H 3.897 0.03 1 927 126 101 GLY CA C 44.025 0.50 1 928 126 101 GLY N N 108.021 0.25 1 929 127 102 PRO HA H 4.651 0.03 1 930 127 102 PRO HB2 H 2.151 0.03 1 931 127 102 PRO HB3 H 1.735 0.03 1 932 127 102 PRO HG2 H 1.846 0.03 1 933 127 102 PRO HG3 H 1.737 0.03 1 934 127 102 PRO HD2 H 3.665 0.03 1 935 127 102 PRO HD3 H 3.366 0.03 1 936 127 102 PRO CA C 62.876 0.50 1 937 127 102 PRO CB C 32.615 0.50 1 938 127 102 PRO CG C 27.529 0.50 1 939 127 102 PRO CD C 49.978 0.50 1 940 128 103 VAL H H 8.751 0.03 1 941 128 103 VAL HA H 4.795 0.03 1 942 128 103 VAL HB H 2.159 0.03 1 943 128 103 VAL HG1 H 1.006 0.03 1 944 128 103 VAL HG2 H 0.728 0.03 1 945 128 103 VAL CA C 59.776 0.50 1 946 128 103 VAL CB C 35.715 0.50 1 947 128 103 VAL CG1 C 23.560 0.50 1 948 128 103 VAL CG2 C 21.080 0.50 1 949 128 103 VAL N N 126.724 0.25 1 950 129 104 LEU H H 8.405 0.03 1 951 129 104 LEU HA H 5.112 0.03 1 952 129 104 LEU HB2 H 1.740 0.03 1 953 129 104 LEU HB3 H 1.082 0.03 1 954 129 104 LEU HG H 1.181 0.03 1 955 129 104 LEU HD1 H 0.774 0.03 1 956 129 104 LEU HD2 H 0.774 0.03 1 957 129 104 LEU CA C 53.079 0.50 1 958 129 104 LEU CB C 46.133 0.50 1 959 129 104 LEU CG C 28.273 0.50 1 960 129 104 LEU CD1 C 26.041 0.50 1 961 129 104 LEU CD2 C 23.560 0.50 1 962 129 104 LEU N N 126.150 0.25 1 963 130 105 MET H H 9.030 0.03 1 964 130 105 MET HA H 5.903 0.03 1 965 130 105 MET HB2 H 1.893 0.03 1 966 130 105 MET HB3 H 1.410 0.03 1 967 130 105 MET HG2 H 2.862 0.03 1 968 130 105 MET HG3 H 2.662 0.03 1 969 130 105 MET HE H 1.567 0.03 1 970 130 105 MET CA C 52.831 0.50 1 971 130 105 MET CB C 35.219 0.50 1 972 130 105 MET CG C 31.994 0.50 1 973 130 105 MET CE C 12.294 0.50 1 974 130 105 MET N N 125.204 0.25 1 975 131 106 HIS H H 8.143 0.03 1 976 131 106 HIS HA H 5.735 0.03 1 977 131 106 HIS HB2 H 3.036 0.03 1 978 131 106 HIS HB3 H 2.859 0.03 1 979 131 106 HIS CA C 55.559 0.50 1 980 131 106 HIS CB C 34.103 0.50 1 981 131 106 HIS N N 115.562 0.25 1 982 132 107 CYS H H 6.951 0.03 1 983 132 107 CYS N N 118.119 0.25 1 984 136 111 ASN HA H 5.155 0.03 1 985 136 111 ASN HB2 H 3.635 0.03 1 986 136 111 ASN HB3 H 2.255 0.03 1 987 136 111 ASN CA C 56.303 0.50 1 988 136 111 ASN CB C 40.676 0.50 1 989 137 112 ASN H H 8.191 0.03 1 990 137 112 ASN HA H 4.871 0.03 1 991 137 112 ASN HB2 H 2.212 0.03 2 992 137 112 ASN HB3 H 2.212 0.03 2 993 137 112 ASN CA C 59.528 0.50 1 994 137 112 ASN CB C 41.420 0.50 1 995 137 112 ASN N N 113.666 0.25 1 996 138 113 ARG H H 8.450 0.03 1 997 138 113 ARG HA H 3.819 0.03 1 998 138 113 ARG HB2 H 1.734 0.03 1 999 138 113 ARG HB3 H 1.609 0.03 1 1000 138 113 ARG HG2 H 1.373 0.03 2 1001 138 113 ARG HG3 H 1.373 0.03 2 1002 138 113 ARG HD2 H 2.918 0.03 2 1003 138 113 ARG HD3 H 2.918 0.03 2 1004 138 113 ARG CA C 58.040 0.50 1 1005 138 113 ARG CB C 32.738 0.50 1 1006 138 113 ARG CG C 25.297 0.50 1 1007 138 113 ARG CD C 41.668 0.50 1 1008 138 113 ARG N N 117.752 0.25 1 1009 139 114 THR HA H 3.597 0.03 1 1010 139 114 THR HB H 3.653 0.03 1 1011 139 114 THR HG2 H 1.118 0.03 1 1012 139 114 THR CA C 67.962 0.50 1 1013 139 114 THR CB C 67.837 0.50 1 1014 139 114 THR CG2 C 23.064 0.50 1 1015 140 115 GLY HA2 H 3.688 0.03 1 1016 140 115 GLY HA3 H 3.307 0.03 1 1017 140 115 GLY CA C 47.373 0.50 1 1018 141 116 LEU H H 7.351 0.03 1 1019 141 116 LEU HA H 3.511 0.03 1 1020 141 116 LEU HB2 H 1.253 0.03 1 1021 141 116 LEU HB3 H 1.037 0.03 1 1022 141 116 LEU HG H 1.039 0.03 1 1023 141 116 LEU HD1 H 0.329 0.03 1 1024 141 116 LEU HD2 H -0.285 0.03 1 1025 141 116 LEU CA C 58.907 0.50 1 1026 141 116 LEU CB C 42.164 0.50 1 1027 141 116 LEU CG C 28.150 0.50 1 1028 141 116 LEU CD1 C 25.670 0.50 1 1029 141 116 LEU CD2 C 23.312 0.50 1 1030 141 116 LEU N N 123.016 0.25 1 1031 142 117 PHE HA H 3.813 0.03 1 1032 142 117 PHE HB2 H 2.674 0.03 1 1033 142 117 PHE HB3 H 2.347 0.03 1 1034 142 117 PHE HD1 H 6.130 0.03 3 1035 142 117 PHE HD2 H 6.130 0.03 3 1036 142 117 PHE HE1 H 6.526 0.03 3 1037 142 117 PHE HE2 H 6.526 0.03 3 1038 142 117 PHE HZ H 6.980 0.03 1 1039 142 117 PHE CA C 62.257 0.50 1 1040 142 117 PHE CB C 37.576 0.50 1 1041 143 118 ALA H H 8.731 0.03 1 1042 143 118 ALA HA H 3.564 0.03 1 1043 143 118 ALA HB H 1.090 0.03 1 1044 143 118 ALA CA C 55.559 0.50 1 1045 143 118 ALA CB C 19.095 0.50 1 1046 143 118 ALA N N 120.694 0.25 1 1047 144 119 ALA H H 7.805 0.03 1 1048 144 119 ALA HA H 4.070 0.03 1 1049 144 119 ALA HB H 1.221 0.03 1 1050 144 119 ALA CA C 55.063 0.50 1 1051 144 119 ALA CB C 18.228 0.50 1 1052 144 119 ALA N N 119.744 0.25 1 1053 145 120 MET H H 7.989 0.03 1 1054 145 120 MET HA H 4.526 0.03 1 1055 145 120 MET HB2 H 1.962 0.03 1 1056 145 120 MET HB3 H 1.817 0.03 1 1057 145 120 MET HG2 H 2.520 0.03 2 1058 145 120 MET HG3 H 2.520 0.03 2 1059 145 120 MET CA C 55.559 0.50 1 1060 145 120 MET CB C 27.777 0.50 1 1061 145 120 MET CG C 30.754 0.50 1 1062 145 120 MET N N 112.580 0.25 1 1063 146 121 TYR H H 8.729 0.03 1 1064 146 121 TYR HA H 3.646 0.03 1 1065 146 121 TYR HB2 H 3.156 0.03 1 1066 146 121 TYR HB3 H 2.648 0.03 1 1067 146 121 TYR HD1 H 6.554 0.03 3 1068 146 121 TYR HD2 H 6.554 0.03 3 1069 146 121 TYR HE1 H 6.469 0.03 3 1070 146 121 TYR HE2 H 6.469 0.03 3 1071 146 121 TYR CA C 62.380 0.50 1 1072 146 121 TYR CB C 37.947 0.50 1 1073 146 121 TYR N N 125.693 0.25 1 1074 147 122 ARG H H 8.335 0.03 1 1075 147 122 ARG HA H 3.225 0.03 1 1076 147 122 ARG HB2 H 2.197 0.03 1 1077 147 122 ARG HB3 H 0.592 0.03 1 1078 147 122 ARG CA C 56.923 0.50 1 1079 147 122 ARG CB C 29.762 0.50 1 1080 147 122 ARG N N 117.619 0.25 1 1081 148 123 ILE H H 7.745 0.03 1 1082 148 123 ILE HA H 4.297 0.03 1 1083 148 123 ILE HB H 1.498 0.03 1 1084 148 123 ILE HG12 H 1.688 0.03 2 1085 148 123 ILE HG13 H 1.688 0.03 2 1086 148 123 ILE HG2 H 0.848 0.03 1 1087 148 123 ILE HD1 H 0.765 0.03 1 1088 148 123 ILE CA C 63.249 0.50 1 1089 148 123 ILE CB C 41.172 0.50 1 1090 148 123 ILE CG1 C 27.529 0.50 1 1091 148 123 ILE CG2 C 18.103 0.50 1 1092 148 123 ILE CD1 C 15.252 0.50 1 1093 148 123 ILE N N 115.421 0.25 1 1094 149 124 VAL H H 9.154 0.03 1 1095 149 124 VAL HA H 3.437 0.03 1 1096 149 124 VAL HB H 1.988 0.03 1 1097 149 124 VAL HG1 H 0.855 0.03 1 1098 149 124 VAL HG2 H 0.660 0.03 1 1099 149 124 VAL CA C 65.729 0.50 1 1100 149 124 VAL CB C 31.994 0.50 1 1101 149 124 VAL CG1 C 22.568 0.50 1 1102 149 124 VAL CG2 C 21.824 0.50 1 1103 149 124 VAL N N 118.744 0.25 1 1104 150 125 VAL H H 7.696 0.03 1 1105 150 125 VAL HA H 3.638 0.03 1 1106 150 125 VAL HB H 1.227 0.03 1 1107 150 125 VAL HG1 H 0.416 0.03 1 1108 150 125 VAL HG2 H 0.361 0.03 1 1109 150 125 VAL CA C 64.489 0.50 1 1110 150 125 VAL CB C 30.258 0.50 1 1111 150 125 VAL CG1 C 22.072 0.50 1 1112 150 125 VAL CG2 C 21.328 0.50 1 1113 150 125 VAL N N 118.432 0.25 1 1114 151 126 GLN H H 7.089 0.03 1 1115 151 126 GLN HA H 4.431 0.03 1 1116 151 126 GLN HB2 H 2.424 0.03 1 1117 151 126 GLN HB3 H 2.363 0.03 1 1118 151 126 GLN HG2 H 1.949 0.03 1 1119 151 126 GLN HG3 H 1.863 0.03 1 1120 151 126 GLN HE21 H 6.924 0.03 1 1121 151 126 GLN HE22 H 6.480 0.03 1 1122 151 126 GLN CA C 54.938 0.50 1 1123 151 126 GLN CB C 31.126 0.50 1 1124 151 126 GLN CG C 35.095 0.50 1 1125 151 126 GLN N N 113.240 0.25 1 1126 151 126 GLN NE2 N 110.884 0.25 1 1127 152 127 GLY H H 6.728 0.03 1 1128 152 127 GLY HA2 H 3.985 0.03 1 1129 152 127 GLY HA3 H 3.749 0.03 1 1130 152 127 GLY CA C 46.629 0.50 1 1131 152 127 GLY N N 106.733 0.25 1 1132 153 128 TRP H H 9.026 0.03 1 1133 153 128 TRP HA H 4.486 0.03 1 1134 153 128 TRP HB2 H 3.269 0.03 1 1135 153 128 TRP HB3 H 2.322 0.03 1 1136 153 128 TRP HD1 H 7.075 0.03 1 1137 153 128 TRP HE1 H 10.367 0.03 1 1138 153 128 TRP HE3 H 6.974 0.03 1 1139 153 128 TRP HZ2 H 7.485 0.03 1 1140 153 128 TRP CA C 57.419 0.50 1 1141 153 128 TRP CB C 29.142 0.50 1 1142 153 128 TRP N N 123.244 0.25 1 1143 153 128 TRP NE1 N 129.654 0.25 1 1144 154 129 ASP H H 8.174 0.03 1 1145 154 129 ASP HA H 4.634 0.03 1 1146 154 129 ASP HB2 H 2.796 0.03 1 1147 154 129 ASP HB3 H 2.666 0.03 1 1148 154 129 ASP CA C 53.575 0.50 1 1149 154 129 ASP CB C 42.660 0.50 1 1150 154 129 ASP N N 116.737 0.25 1 1151 155 130 LYS H H 8.760 0.03 1 1152 155 130 LYS HA H 3.678 0.03 1 1153 155 130 LYS HB2 H 1.753 0.03 2 1154 155 130 LYS HB3 H 1.753 0.03 2 1155 155 130 LYS HG2 H 1.310 0.03 2 1156 155 130 LYS HG3 H 1.310 0.03 2 1157 155 130 LYS HD2 H 1.664 0.03 2 1158 155 130 LYS HD3 H 1.664 0.03 2 1159 155 130 LYS HE2 H 3.036 0.03 2 1160 155 130 LYS HE3 H 3.036 0.03 2 1161 155 130 LYS CA C 60.395 0.50 1 1162 155 130 LYS CB C 32.986 0.50 1 1163 155 130 LYS CG C 25.297 0.50 1 1164 155 130 LYS CD C 34.103 0.50 1 1165 155 130 LYS CE C 43.405 0.50 1 1166 155 130 LYS N N 121.499 0.25 1 1167 156 131 GLN H H 8.473 0.03 1 1168 156 131 GLN HA H 3.967 0.03 1 1169 156 131 GLN HB2 H 2.118 0.03 1 1170 156 131 GLN HB3 H 2.038 0.03 1 1171 156 131 GLN HG2 H 2.392 0.03 2 1172 156 131 GLN HG3 H 2.392 0.03 2 1173 156 131 GLN HE21 H 7.733 0.03 1 1174 156 131 GLN HE22 H 6.752 0.03 1 1175 156 131 GLN CA C 59.280 0.50 1 1176 156 131 GLN CB C 27.281 0.50 1 1177 156 131 GLN CG C 33.234 0.50 1 1178 156 131 GLN N N 116.533 0.25 1 1179 156 131 GLN NE2 N 112.347 0.25 1 1180 157 132 ALA H H 7.583 0.03 1 1181 157 132 ALA HA H 4.448 0.03 1 1182 157 132 ALA HB H 1.499 0.03 1 1183 157 132 ALA CA C 54.815 0.50 1 1184 157 132 ALA CB C 18.724 0.50 1 1185 157 132 ALA N N 121.794 0.25 1 1186 158 133 ALA HA H 3.963 0.03 1 1187 158 133 ALA HB H 1.487 0.03 1 1188 158 133 ALA CA C 54.938 0.50 1 1189 158 133 ALA CB C 19.717 0.50 1 1190 159 134 LEU H H 8.642 0.03 1 1191 159 134 LEU HA H 3.902 0.03 1 1192 159 134 LEU HB2 H 1.777 0.03 1 1193 159 134 LEU HB3 H 1.449 0.03 1 1194 159 134 LEU HG H 1.593 0.03 1 1195 159 134 LEU HD1 H 0.828 0.03 1 1196 159 134 LEU HD2 H 0.766 0.03 1 1197 159 134 LEU CA C 58.040 0.50 1 1198 159 134 LEU CB C 42.040 0.50 1 1199 159 134 LEU CG C 27.654 0.50 1 1200 159 134 LEU CD1 C 23.560 0.50 1 1201 159 134 LEU CD2 C 23.312 0.50 1 1202 159 134 LEU N N 121.097 0.25 1 1203 160 135 GLU H H 8.291 0.03 1 1204 160 135 GLU HA H 3.955 0.03 1 1205 160 135 GLU HB2 H 2.246 0.03 1 1206 160 135 GLU HB3 H 2.202 0.03 1 1207 160 135 GLU HG2 H 2.543 0.03 1 1208 160 135 GLU HG3 H 2.423 0.03 1 1209 160 135 GLU CA C 60.024 0.50 1 1210 160 135 GLU CB C 29.514 0.50 1 1211 160 135 GLU CG C 36.955 0.50 1 1212 160 135 GLU N N 120.028 0.25 1 1213 161 136 GLU H H 7.246 0.03 1 1214 161 136 GLU HA H 1.699 0.03 1 1215 161 136 GLU HB2 H 0.987 0.03 2 1216 161 136 GLU HB3 H 0.987 0.03 2 1217 161 136 GLU HG2 H 1.401 0.03 2 1218 161 136 GLU HG3 H 1.401 0.03 2 1219 161 136 GLU CA C 58.907 0.50 1 1220 161 136 GLU CB C 28.646 0.50 1 1221 161 136 GLU CG C 36.583 0.50 1 1222 161 136 GLU N N 118.121 0.25 1 1223 162 137 MET H H 7.552 0.03 1 1224 162 137 MET HA H 3.855 0.03 1 1225 162 137 MET HB2 H 2.196 0.03 1 1226 162 137 MET HB3 H 1.967 0.03 1 1227 162 137 MET HG2 H 2.540 0.03 2 1228 162 137 MET HG3 H 2.540 0.03 2 1229 162 137 MET CA C 59.776 0.50 1 1230 162 137 MET CB C 35.467 0.50 1 1231 162 137 MET CG C 36.211 0.50 1 1232 162 137 MET N N 117.673 0.25 1 1233 163 138 GLN H H 8.065 0.03 1 1234 163 138 GLN HA H 4.170 0.03 1 1235 163 138 GLN HB2 H 1.983 0.03 2 1236 163 138 GLN HB3 H 1.983 0.03 2 1237 163 138 GLN HG2 H 2.186 0.03 2 1238 163 138 GLN HG3 H 2.186 0.03 2 1239 163 138 GLN CA C 56.923 0.50 1 1240 163 138 GLN CB C 29.638 0.50 1 1241 163 138 GLN CG C 33.979 0.50 1 1242 163 138 GLN N N 113.133 0.25 1 1243 164 139 ARG H H 8.386 0.03 1 1244 164 139 ARG HA H 4.665 0.03 1 1245 164 139 ARG HB2 H 2.175 0.03 1 1246 164 139 ARG HB3 H 1.965 0.03 1 1247 164 139 ARG HG2 H 1.751 0.03 1 1248 164 139 ARG HG3 H 1.565 0.03 1 1249 164 139 ARG HD2 H 3.222 0.03 2 1250 164 139 ARG HD3 H 3.222 0.03 2 1251 164 139 ARG CA C 54.938 0.50 1 1252 164 139 ARG CB C 31.126 0.50 1 1253 164 139 ARG CG C 27.777 0.50 1 1254 164 139 ARG CD C 43.529 0.50 1 1255 164 139 ARG N N 115.362 0.25 1 1256 165 140 GLY H H 7.952 0.03 1 1257 165 140 GLY HA2 H 3.770 0.03 1 1258 165 140 GLY HA3 H 3.246 0.03 1 1259 165 140 GLY CA C 46.629 0.50 1 1260 165 140 GLY N N 109.276 0.25 1 1261 166 141 GLY H H 7.954 0.03 1 1262 166 141 GLY HA2 H 4.024 0.03 1 1263 166 141 GLY HA3 H 3.543 0.03 1 1264 166 141 GLY CA C 45.141 0.50 1 1265 166 141 GLY N N 107.837 0.25 1 1266 167 142 PHE H H 7.469 0.03 1 1267 167 142 PHE HA H 4.438 0.03 1 1268 167 142 PHE HB2 H 3.068 0.03 1 1269 167 142 PHE HB3 H 2.549 0.03 1 1270 167 142 PHE HD1 H 6.674 0.03 3 1271 167 142 PHE HD2 H 6.674 0.03 3 1272 167 142 PHE HE1 H 6.282 0.03 3 1273 167 142 PHE HE2 H 6.282 0.03 3 1274 167 142 PHE HZ H 6.498 0.03 1 1275 167 142 PHE CA C 57.419 0.50 1 1276 167 142 PHE CB C 39.064 0.50 1 1277 167 142 PHE N N 118.937 0.25 1 1278 168 143 GLY H H 7.722 0.03 1 1279 168 143 GLY HA2 H 4.165 0.03 1 1280 168 143 GLY HA3 H 3.825 0.03 1 1281 168 143 GLY CA C 44.893 0.50 1 1282 168 143 GLY N N 105.014 0.25 1 1283 169 144 ASP H H 8.610 0.03 1 1284 169 144 ASP HA H 4.634 0.03 1 1285 169 144 ASP HB2 H 2.703 0.03 1 1286 169 144 ASP HB3 H 2.513 0.03 1 1287 169 144 ASP CA C 54.815 0.50 1 1288 169 144 ASP CB C 42.164 0.50 1 1289 169 144 ASP N N 120.140 0.25 1 1290 170 145 GLU H H 8.672 0.03 1 1291 170 145 GLU HA H 3.903 0.03 1 1292 170 145 GLU HB2 H 1.751 0.03 2 1293 170 145 GLU HB3 H 1.751 0.03 2 1294 170 145 GLU HG2 H 2.113 0.03 2 1295 170 145 GLU HG3 H 2.113 0.03 2 1296 170 145 GLU CA C 59.403 0.50 1 1297 170 145 GLU CB C 29.762 0.50 1 1298 170 145 GLU CG C 36.087 0.50 1 1299 170 145 GLU N N 120.837 0.25 1 1300 171 146 ASP H H 8.313 0.03 1 1301 171 146 ASP HA H 4.423 0.03 1 1302 171 146 ASP HB2 H 2.775 0.03 2 1303 171 146 ASP HB3 H 2.775 0.03 2 1304 171 146 ASP CA C 54.938 0.50 1 1305 171 146 ASP CB C 41.668 0.50 1 1306 171 146 ASP N N 118.501 0.25 1 1307 174 149 ARG HA H 3.921 0.03 1 1308 174 149 ARG HB2 H 1.896 0.03 1 1309 174 149 ARG HB3 H 1.750 0.03 1 1310 174 149 ARG HG2 H 1.567 0.03 2 1311 174 149 ARG HG3 H 1.567 0.03 2 1312 174 149 ARG HD2 H 3.139 0.03 2 1313 174 149 ARG HD3 H 3.139 0.03 2 1314 174 149 ARG CA C 59.776 0.50 1 1315 174 149 ARG CB C 30.010 0.50 1 1316 174 149 ARG CG C 26.537 0.50 1 1317 174 149 ARG CD C 43.156 0.50 1 1318 175 150 ASP H H 8.627 0.03 1 1319 175 150 ASP HA H 3.958 0.03 1 1320 175 150 ASP HB2 H 2.543 0.03 1 1321 175 150 ASP HB3 H 2.439 0.03 1 1322 175 150 ASP CA C 57.295 0.50 1 1323 175 150 ASP CB C 40.428 0.50 1 1324 175 150 ASP N N 119.603 0.25 1 1325 176 151 ALA H H 8.372 0.03 1 1326 176 151 ALA HA H 3.851 0.03 1 1327 176 151 ALA HB H 1.271 0.03 1 1328 176 151 ALA CA C 54.938 0.50 1 1329 176 151 ALA CB C 18.724 0.50 1 1330 176 151 ALA N N 124.513 0.25 1 1331 177 152 SER H H 8.396 0.03 1 1332 177 152 SER HA H 3.821 0.03 1 1333 177 152 SER HB2 H 3.656 0.03 2 1334 177 152 SER HB3 H 3.656 0.03 2 1335 177 152 SER CA C 62.008 0.50 1 1336 177 152 SER CB C 62.008 0.50 1 1337 177 152 SER N N 112.632 0.25 1 1338 178 153 ALA H H 7.758 0.03 1 1339 178 153 ALA HA H 3.970 0.03 1 1340 178 153 ALA HB H 1.396 0.03 1 1341 178 153 ALA CA C 55.311 0.50 1 1342 178 153 ALA CB C 18.228 0.50 1 1343 178 153 ALA N N 122.757 0.25 1 1344 179 154 TYR H H 7.749 0.03 1 1345 179 154 TYR HA H 3.852 0.03 1 1346 179 154 TYR HB2 H 3.082 0.03 1 1347 179 154 TYR HB3 H 2.671 0.03 1 1348 179 154 TYR HD1 H 6.740 0.03 3 1349 179 154 TYR HD2 H 6.740 0.03 3 1350 179 154 TYR HE1 H 6.502 0.03 3 1351 179 154 TYR HE2 H 6.502 0.03 3 1352 179 154 TYR CA C 61.760 0.50 1 1353 179 154 TYR CB C 37.576 0.50 1 1354 179 154 TYR N N 118.533 0.25 1 1355 180 155 VAL H H 7.993 0.03 1 1356 180 155 VAL HA H 3.135 0.03 1 1357 180 155 VAL HB H 1.943 0.03 1 1358 180 155 VAL HG1 H 1.018 0.03 1 1359 180 155 VAL HG2 H 0.656 0.03 1 1360 180 155 VAL CA C 66.721 0.50 1 1361 180 155 VAL CB C 31.498 0.50 1 1362 180 155 VAL CG1 C 22.320 0.50 1 1363 180 155 VAL CG2 C 21.576 0.50 1 1364 180 155 VAL N N 118.809 0.25 1 1365 181 156 ARG H H 8.214 0.03 1 1366 181 156 ARG HA H 3.701 0.03 1 1367 181 156 ARG HB2 H 1.666 0.03 2 1368 181 156 ARG HB3 H 1.666 0.03 2 1369 181 156 ARG HG2 H 1.474 0.03 2 1370 181 156 ARG HG3 H 1.474 0.03 2 1371 181 156 ARG HD2 H 3.092 0.03 2 1372 181 156 ARG HD3 H 3.092 0.03 2 1373 181 156 ARG CA C 60.272 0.50 1 1374 181 156 ARG CB C 30.134 0.50 1 1375 181 156 ARG CG C 29.018 0.50 1 1376 181 156 ARG CD C 43.156 0.50 1 1377 181 156 ARG N N 115.397 0.25 1 1378 182 157 GLY H H 7.233 0.03 1 1379 182 157 GLY HA2 H 4.032 0.03 1 1380 182 157 GLY HA3 H 3.552 0.03 1 1381 182 157 GLY CA C 45.389 0.50 1 1382 182 157 GLY N N 104.670 0.25 1 1383 183 158 ALA H H 6.924 0.03 1 1384 183 158 ALA HA H 3.842 0.03 1 1385 183 158 ALA HB H 0.867 0.03 1 1386 183 158 ALA CA C 53.079 0.50 1 1387 183 158 ALA CB C 18.351 0.50 1 1388 183 158 ALA N N 123.246 0.25 1 1389 184 159 ASP H H 8.918 0.03 1 1390 184 159 ASP HA H 4.659 0.03 1 1391 184 159 ASP HB2 H 2.942 0.03 1 1392 184 159 ASP HB3 H 2.575 0.03 1 1393 184 159 ASP CA C 52.334 0.50 1 1394 184 159 ASP CB C 38.940 0.50 1 1395 184 159 ASP N N 122.489 0.25 1 1396 185 160 VAL H H 7.868 0.03 1 1397 185 160 VAL HA H 3.342 0.03 1 1398 185 160 VAL HB H 1.983 0.03 1 1399 185 160 VAL HG1 H 0.966 0.03 1 1400 185 160 VAL HG2 H 0.820 0.03 1 1401 185 160 VAL CA C 66.473 0.50 1 1402 185 160 VAL CB C 31.746 0.50 1 1403 185 160 VAL CG1 C 22.072 0.50 1 1404 185 160 VAL CG2 C 21.824 0.50 1 1405 185 160 VAL N N 123.565 0.25 1 1406 186 161 ASP H H 8.291 0.03 1 1407 186 161 ASP HA H 4.310 0.03 1 1408 186 161 ASP HB2 H 2.577 0.03 2 1409 186 161 ASP HB3 H 2.577 0.03 2 1410 186 161 ASP CA C 56.923 0.50 1 1411 186 161 ASP CB C 40.180 0.50 1 1412 186 161 ASP N N 120.028 0.25 1 1413 187 162 GLY H H 8.170 0.03 1 1414 187 162 GLY HA2 H 3.750 0.03 2 1415 187 162 GLY HA3 H 3.750 0.03 2 1416 187 162 GLY CA C 47.621 0.50 1 1417 187 162 GLY N N 108.921 0.25 1 1418 188 163 LEU H H 8.130 0.03 1 1419 188 163 LEU HA H 4.006 0.03 1 1420 188 163 LEU HB2 H 1.800 0.03 1 1421 188 163 LEU HB3 H 1.067 0.03 1 1422 188 163 LEU HG H 1.594 0.03 1 1423 188 163 LEU HD1 H 0.760 0.03 1 1424 188 163 LEU HD2 H 0.666 0.03 1 1425 188 163 LEU CA C 58.288 0.50 1 1426 188 163 LEU CB C 43.156 0.50 1 1427 188 163 LEU CG C 28.025 0.50 1 1428 188 163 LEU CD1 C 24.553 0.50 1 1429 188 163 LEU CD2 C 23.560 0.50 1 1430 188 163 LEU N N 123.296 0.25 1 1431 189 164 ARG H H 8.254 0.03 1 1432 189 164 ARG HA H 3.730 0.03 1 1433 189 164 ARG HB2 H 1.776 0.03 1 1434 189 164 ARG HB3 H 1.614 0.03 1 1435 189 164 ARG HG2 H 1.614 0.03 1 1436 189 164 ARG HG3 H 1.451 0.03 1 1437 189 164 ARG HD2 H 3.101 0.03 2 1438 189 164 ARG HD3 H 3.101 0.03 2 1439 189 164 ARG CA C 60.395 0.50 1 1440 189 164 ARG CB C 31.126 0.50 1 1441 189 164 ARG CG C 28.646 0.50 1 1442 189 164 ARG CD C 43.653 0.50 1 1443 189 164 ARG N N 117.477 0.25 1 1444 190 165 LEU H H 7.816 0.03 1 1445 190 165 LEU HA H 4.024 0.03 1 1446 190 165 LEU HB2 H 1.675 0.03 1 1447 190 165 LEU HB3 H 1.534 0.03 1 1448 190 165 LEU HG H 1.533 0.03 1 1449 190 165 LEU HD1 H 0.782 0.03 1 1450 190 165 LEU HD2 H 0.782 0.03 1 1451 190 165 LEU CA C 58.040 0.50 1 1452 190 165 LEU CB C 41.544 0.50 1 1453 190 165 LEU CG C 27.033 0.50 1 1454 190 165 LEU CD1 C 24.181 0.50 1 1455 190 165 LEU CD2 C 23.685 0.50 1 1456 190 165 LEU N N 120.702 0.25 1 1457 191 166 ALA HA H 4.079 0.03 1 1458 191 166 ALA HB H 1.360 0.03 1 1459 191 166 ALA CA C 54.567 0.50 1 1460 191 166 ALA CB C 18.599 0.50 1 1461 192 167 MET H H 8.002 0.03 1 1462 192 167 MET HA H 4.184 0.03 1 1463 192 167 MET HB2 H 1.878 0.03 2 1464 192 167 MET HB3 H 1.878 0.03 2 1465 192 167 MET HG2 H 2.431 0.03 2 1466 192 167 MET HG3 H 2.431 0.03 2 1467 192 167 MET CA C 56.303 0.50 1 1468 192 167 MET CB C 31.623 0.50 1 1469 192 167 MET CG C 33.234 0.50 1 1470 192 167 MET N N 117.086 0.25 1 1471 193 168 ALA H H 7.591 0.03 1 1472 193 168 ALA HA H 4.149 0.03 1 1473 193 168 ALA HB H 1.404 0.03 1 1474 193 168 ALA CA C 53.823 0.50 1 1475 193 168 ALA CB C 18.228 0.50 1 1476 193 168 ALA N N 121.267 0.25 1 1477 194 169 ASN H H 7.972 0.03 1 1478 194 169 ASN HA H 4.634 0.03 1 1479 194 169 ASN HB2 H 2.821 0.03 1 1480 194 169 ASN HB3 H 2.740 0.03 1 1481 194 169 ASN HD21 H 7.462 0.03 1 1482 194 169 ASN HD22 H 6.806 0.03 1 1483 194 169 ASN CA C 53.450 0.50 1 1484 194 169 ASN CB C 39.188 0.50 1 1485 194 169 ASN N N 115.484 0.25 1 1486 194 169 ASN ND2 N 111.859 0.25 1 1487 195 170 GLY H H 7.971 0.03 1 1488 195 170 GLY HA2 H 3.895 0.03 2 1489 195 170 GLY HA3 H 3.895 0.03 2 1490 195 170 GLY CA C 45.885 0.50 1 1491 195 170 GLY N N 108.325 0.25 1 1492 196 171 GLU H H 8.160 0.03 1 1493 196 171 GLU HA H 4.209 0.03 1 1494 196 171 GLU HB2 H 1.979 0.03 1 1495 196 171 GLU HB3 H 1.876 0.03 1 1496 196 171 GLU HG2 H 2.177 0.03 2 1497 196 171 GLU HG3 H 2.177 0.03 2 1498 196 171 GLU CA C 56.489 0.50 1 1499 196 171 GLU CB C 30.134 0.50 1 1500 196 171 GLU CG C 36.087 0.50 1 1501 196 171 GLU N N 120.091 0.25 1 1502 197 172 CYS H H 8.416 0.03 1 1503 197 172 CYS HA H 4.355 0.03 1 1504 197 172 CYS HB2 H 2.844 0.03 2 1505 197 172 CYS HB3 H 2.844 0.03 2 1506 197 172 CYS CA C 58.907 0.50 1 1507 197 172 CYS CB C 27.654 0.50 1 1508 197 172 CYS N N 119.414 0.25 1 1509 198 173 SER H H 8.105 0.03 1 1510 198 173 SER N N 117.643 0.25 1 1511 199 174 PRO HA H 4.318 0.03 1 1512 199 174 PRO HB2 H 2.156 0.03 1 1513 199 174 PRO HB3 H 1.857 0.03 1 1514 199 174 PRO HG2 H 1.844 0.03 2 1515 199 174 PRO HG3 H 1.844 0.03 2 1516 199 174 PRO HD2 H 3.671 0.03 2 1517 199 174 PRO HD3 H 3.671 0.03 2 1518 199 174 PRO CA C 63.497 0.50 1 1519 199 174 PRO CB C 31.994 0.50 1 1520 199 174 PRO CG C 27.158 0.50 1 1521 199 174 PRO CD C 49.978 0.50 1 1522 200 175 SER H H 8.222 0.03 1 1523 200 175 SER HA H 4.279 0.03 1 1524 200 175 SER HB2 H 3.791 0.03 1 1525 200 175 SER HB3 H 3.731 0.03 1 1526 200 175 SER CA C 58.288 0.50 1 1527 200 175 SER CB C 63.249 0.50 1 1528 200 175 SER N N 115.525 0.25 1 1529 201 176 ARG H H 8.146 0.03 1 1530 201 176 ARG HA H 4.108 0.03 1 1531 201 176 ARG HB2 H 1.551 0.03 2 1532 201 176 ARG HB3 H 1.551 0.03 2 1533 201 176 ARG HG2 H 1.260 0.03 2 1534 201 176 ARG HG3 H 1.260 0.03 2 1535 201 176 ARG HD2 H 2.982 0.03 2 1536 201 176 ARG HD3 H 2.982 0.03 2 1537 201 176 ARG CA C 56.427 0.50 1 1538 201 176 ARG CB C 30.134 0.50 1 1539 201 176 ARG CG C 26.662 0.50 1 1540 201 176 ARG CD C 43.032 0.50 1 1541 201 176 ARG N N 122.400 0.25 1 1542 202 177 PHE H H 7.939 0.03 1 1543 202 177 PHE HA H 4.519 0.03 1 1544 202 177 PHE HB2 H 3.102 0.03 1 1545 202 177 PHE HB3 H 2.826 0.03 1 1546 202 177 PHE HD1 H 7.180 0.03 3 1547 202 177 PHE HD2 H 7.180 0.03 3 1548 202 177 PHE HE1 H 7.257 0.03 3 1549 202 177 PHE HE2 H 7.257 0.03 3 1550 202 177 PHE CA C 57.419 0.50 1 1551 202 177 PHE CB C 39.188 0.50 1 1552 202 177 PHE N N 119.544 0.25 1 1553 203 178 ALA H H 7.968 0.03 1 1554 203 178 ALA HA H 4.704 0.03 1 1555 203 178 ALA HB H 1.292 0.03 1 1556 203 178 ALA CA C 52.458 0.50 1 1557 203 178 ALA CB C 19.343 0.50 1 1558 203 178 ALA N N 124.237 0.25 1 1559 204 179 LEU HB2 H 2.811 0.03 2 1560 204 179 LEU HB3 H 2.811 0.03 2 1561 204 179 LEU HG H 1.477 0.03 1 1562 204 179 LEU HD1 H 0.854 0.03 1 1563 204 179 LEU HD2 H 0.595 0.03 1 1564 204 179 LEU CB C 42.040 0.50 1 1565 204 179 LEU CG C 28.646 0.50 1 1566 204 179 LEU CD1 C 24.677 0.50 1 1567 204 179 LEU CD2 C 24.677 0.50 1 1568 205 180 CYS H H 8.067 0.03 1 1569 205 180 CYS HA H 4.300 0.03 1 1570 205 180 CYS HB2 H 2.779 0.03 2 1571 205 180 CYS HB3 H 2.779 0.03 2 1572 205 180 CYS CA C 58.784 0.50 1 1573 205 180 CYS CB C 27.529 0.50 1 1574 205 180 CYS N N 118.589 0.25 1 1575 206 181 HIS HA H 4.602 0.03 1 1576 206 181 HIS HB2 H 3.152 0.03 2 1577 206 181 HIS HB3 H 3.152 0.03 2 1578 206 181 HIS CA C 56.551 0.50 1 1579 206 181 HIS CB C 30.506 0.50 1 1580 207 182 VAL H H 7.855 0.03 1 1581 207 182 VAL HA H 3.859 0.03 1 1582 207 182 VAL HB H 1.933 0.03 1 1583 207 182 VAL HG1 H 0.774 0.03 1 1584 207 182 VAL HG2 H 0.774 0.03 1 1585 207 182 VAL CA C 63.249 0.50 1 1586 207 182 VAL CB C 32.242 0.50 1 1587 207 182 VAL CG1 C 20.584 0.50 1 1588 207 182 VAL CG2 C 18.599 0.50 1 1589 207 182 VAL N N 121.438 0.25 1 1590 208 183 ARG H H 8.321 0.03 1 1591 208 183 ARG HA H 4.129 0.03 1 1592 208 183 ARG HB2 H 1.576 0.03 2 1593 208 183 ARG HB3 H 1.576 0.03 2 1594 208 183 ARG HG2 H 1.474 0.03 2 1595 208 183 ARG HG3 H 1.474 0.03 2 1596 208 183 ARG HD2 H 3.066 0.03 2 1597 208 183 ARG HD3 H 3.066 0.03 2 1598 208 183 ARG CA C 56.551 0.50 1 1599 208 183 ARG CB C 30.134 0.50 1 1600 208 183 ARG CG C 27.158 0.50 1 1601 208 183 ARG CD C 43.032 0.50 1 1602 208 183 ARG N N 123.886 0.25 1 1603 209 184 GLU H H 8.343 0.03 1 1604 209 184 GLU HA H 4.084 0.03 1 1605 209 184 GLU HB2 H 1.908 0.03 2 1606 209 184 GLU HB3 H 1.908 0.03 2 1607 209 184 GLU HG2 H 2.182 0.03 2 1608 209 184 GLU HG3 H 2.182 0.03 2 1609 209 184 GLU CA C 57.419 0.50 1 1610 209 184 GLU CB C 29.762 0.50 1 1611 209 184 GLU CG C 36.707 0.50 1 1612 209 184 GLU N N 121.246 0.25 1 1613 210 185 TRP H H 7.977 0.03 1 1614 210 185 TRP HA H 4.475 0.03 1 1615 210 185 TRP HB2 H 3.187 0.03 2 1616 210 185 TRP HB3 H 3.187 0.03 2 1617 210 185 TRP HD1 H 7.344 0.03 1 1618 210 185 TRP HE1 H 10.085 0.03 1 1619 210 185 TRP HZ2 H 7.132 0.03 1 1620 210 185 TRP CA C 57.915 0.50 1 1621 210 185 TRP CB C 29.142 0.50 1 1622 210 185 TRP N N 121.095 0.25 1 1623 210 185 TRP NE1 N 129.654 0.25 1 1624 211 186 MET H H 7.848 0.03 1 1625 211 186 MET HA H 4.127 0.03 1 1626 211 186 MET HB2 H 1.765 0.03 2 1627 211 186 MET HB3 H 1.765 0.03 2 1628 211 186 MET HG2 H 2.224 0.03 2 1629 211 186 MET HG3 H 2.224 0.03 2 1630 211 186 MET CA C 55.931 0.50 1 1631 211 186 MET CB C 32.119 0.50 1 1632 211 186 MET CG C 31.623 0.50 1 1633 211 186 MET N N 121.218 0.25 1 1634 212 187 ALA H H 7.891 0.03 1 1635 212 187 ALA HA H 4.065 0.03 1 1636 212 187 ALA HB H 1.293 0.03 1 1637 212 187 ALA CA C 53.079 0.50 1 1638 212 187 ALA CB C 18.847 0.50 1 1639 212 187 ALA N N 123.909 0.25 1 1640 213 188 GLN H H 8.050 0.03 1 1641 213 188 GLN HA H 4.150 0.03 1 1642 213 188 GLN HB2 H 1.990 0.03 1 1643 213 188 GLN HB3 H 1.881 0.03 1 1644 213 188 GLN HG2 H 2.280 0.03 2 1645 213 188 GLN HG3 H 2.280 0.03 2 1646 213 188 GLN CA C 55.931 0.50 1 1647 213 188 GLN CB C 29.266 0.50 1 1648 213 188 GLN CG C 33.482 0.50 1 1649 213 188 GLN N N 118.531 0.25 1 1650 214 189 ALA H H 8.103 0.03 1 1651 214 189 ALA HA H 4.194 0.03 1 1652 214 189 ALA HB H 1.286 0.03 1 1653 214 189 ALA CA C 52.954 0.50 1 1654 214 189 ALA CB C 19.095 0.50 1 1655 214 189 ALA N N 124.670 0.25 1 1656 215 190 LEU H H 8.040 0.03 1 1657 215 190 LEU HA H 4.214 0.03 1 1658 215 190 LEU HB2 H 1.550 0.03 1 1659 215 190 LEU HB3 H 1.475 0.03 1 1660 215 190 LEU HG H 1.543 0.03 1 1661 215 190 LEU HD1 H 0.818 0.03 1 1662 215 190 LEU HD2 H 0.768 0.03 1 1663 215 190 LEU CA C 54.938 0.50 1 1664 215 190 LEU CB C 42.164 0.50 1 1665 215 190 LEU CG C 26.662 0.50 1 1666 215 190 LEU CD1 C 24.553 0.50 1 1667 215 190 LEU CD2 C 23.685 0.50 1 1668 215 190 LEU N N 120.692 0.25 1 1669 216 191 ASP H H 8.153 0.03 1 1670 216 191 ASP HA H 4.480 0.03 1 1671 216 191 ASP HB2 H 2.572 0.03 1 1672 216 191 ASP HB3 H 2.517 0.03 1 1673 216 191 ASP CA C 53.823 0.50 1 1674 216 191 ASP CB C 41.048 0.50 1 1675 216 191 ASP N N 120.436 0.25 1 1676 217 192 ARG H H 7.940 0.03 1 1677 217 192 ARG HA H 4.530 0.03 1 1678 217 192 ARG HB2 H 1.773 0.03 1 1679 217 192 ARG HB3 H 1.640 0.03 1 1680 217 192 ARG HG2 H 1.564 0.03 2 1681 217 192 ARG HG3 H 1.564 0.03 2 1682 217 192 ARG HD2 H 3.109 0.03 2 1683 217 192 ARG HD3 H 3.109 0.03 2 1684 217 192 ARG CA C 53.450 0.50 1 1685 217 192 ARG CB C 30.258 0.50 1 1686 217 192 ARG CG C 26.785 0.50 1 1687 217 192 ARG CD C 43.156 0.50 1 1688 217 192 ARG N N 121.946 0.25 1 1689 218 193 PRO HA H 4.151 0.03 1 1690 218 193 PRO HB2 H 2.124 0.03 1 1691 218 193 PRO HB3 H 1.807 0.03 1 1692 218 193 PRO HG2 H 1.869 0.03 2 1693 218 193 PRO HG3 H 1.869 0.03 2 1694 218 193 PRO HD2 H 3.596 0.03 1 1695 218 193 PRO HD3 H 3.508 0.03 1 1696 218 193 PRO CA C 64.737 0.50 1 1697 218 193 PRO CB C 31.994 0.50 1 1698 218 193 PRO CG C 27.281 0.50 1 1699 218 193 PRO CD C 50.350 0.50 1 stop_ save_