data_16430 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N backbone resonance assginments of Nep1 from Methanococcus jannaschii ; _BMRB_accession_number 16430 _BMRB_flat_file_name bmr16430.str _Entry_type original _Submission_date 2009-07-29 _Accession_date 2009-07-29 _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 Wurm Philip . . 2 Duchardt Elke . . 3 Meyer Britta . . 4 Leal Belinda Z. . 5 Koetter Peter . . 6 Entian Karl-Dieter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 390 "13C chemical shifts" 1198 "15N chemical shifts" 390 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-25 update BMRB 'complete entry citation' 2009-09-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone resonance assignments of the 48 kDa dimeric putative rRNA-methyltransferase Nep1 from Methanocaldococcus jannaschii' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19779849 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wurm Philip . . 2 Duchardt Elke . . 3 Meyer Britta . . 4 Leal Belinda Z. . 5 Koetter Peter . . 6 Entian Karl-Dieter . . 7 Woehnert Jens . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 251 _Page_last 254 _Year 2009 _Details . loop_ _Keyword 'Bowen-Conradi syndrome' Nep1 NMR-assignment RNA-methyltransferase SPOUT-class 'triple resonance experiments' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Nep1 dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'monomer 1' $Nep1_chain 'monomer 2' $Nep1_chain stop_ _System_molecular_weight 48164 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'putative rRNA methyltransferase' stop_ _Database_query_date . _Details 'nonsymmetrical homodimer' save_ ######################## # Monomeric polymers # ######################## save_Nep1_chain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nep1_chain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 205 _Mol_residue_sequence ; MTYNIILAKSALELIPEEIK NKIRKSRVYKYDILDSNYHY KAMEKLKDKEMRGRPDIIHI SLLNILDSPINHEKKLNIYI HTYDDKVLKINPETRLPRNY FRFLGVMEKVLKGERNHLIK MEEKTLEDLLNEINAKKIAI MTKTGKLTHPKLLKEYDTFI IGGFPYGKLKINKEKVFGDI KEISIYNKGLMAWTVCGIIC YSLSF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 TYR 4 ASN 5 ILE 6 ILE 7 LEU 8 ALA 9 LYS 10 SER 11 ALA 12 LEU 13 GLU 14 LEU 15 ILE 16 PRO 17 GLU 18 GLU 19 ILE 20 LYS 21 ASN 22 LYS 23 ILE 24 ARG 25 LYS 26 SER 27 ARG 28 VAL 29 TYR 30 LYS 31 TYR 32 ASP 33 ILE 34 LEU 35 ASP 36 SER 37 ASN 38 TYR 39 HIS 40 TYR 41 LYS 42 ALA 43 MET 44 GLU 45 LYS 46 LEU 47 LYS 48 ASP 49 LYS 50 GLU 51 MET 52 ARG 53 GLY 54 ARG 55 PRO 56 ASP 57 ILE 58 ILE 59 HIS 60 ILE 61 SER 62 LEU 63 LEU 64 ASN 65 ILE 66 LEU 67 ASP 68 SER 69 PRO 70 ILE 71 ASN 72 HIS 73 GLU 74 LYS 75 LYS 76 LEU 77 ASN 78 ILE 79 TYR 80 ILE 81 HIS 82 THR 83 TYR 84 ASP 85 ASP 86 LYS 87 VAL 88 LEU 89 LYS 90 ILE 91 ASN 92 PRO 93 GLU 94 THR 95 ARG 96 LEU 97 PRO 98 ARG 99 ASN 100 TYR 101 PHE 102 ARG 103 PHE 104 LEU 105 GLY 106 VAL 107 MET 108 GLU 109 LYS 110 VAL 111 LEU 112 LYS 113 GLY 114 GLU 115 ARG 116 ASN 117 HIS 118 LEU 119 ILE 120 LYS 121 MET 122 GLU 123 GLU 124 LYS 125 THR 126 LEU 127 GLU 128 ASP 129 LEU 130 LEU 131 ASN 132 GLU 133 ILE 134 ASN 135 ALA 136 LYS 137 LYS 138 ILE 139 ALA 140 ILE 141 MET 142 THR 143 LYS 144 THR 145 GLY 146 LYS 147 LEU 148 THR 149 HIS 150 PRO 151 LYS 152 LEU 153 LEU 154 LYS 155 GLU 156 TYR 157 ASP 158 THR 159 PHE 160 ILE 161 ILE 162 GLY 163 GLY 164 PHE 165 PRO 166 TYR 167 GLY 168 LYS 169 LEU 170 LYS 171 ILE 172 ASN 173 LYS 174 GLU 175 LYS 176 VAL 177 PHE 178 GLY 179 ASP 180 ILE 181 LYS 182 GLU 183 ILE 184 SER 185 ILE 186 TYR 187 ASN 188 LYS 189 GLY 190 LEU 191 MET 192 ALA 193 TRP 194 THR 195 VAL 196 CYS 197 GLY 198 ILE 199 ILE 200 CYS 201 TYR 202 SER 203 LEU 204 SER 205 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3BBD "M. Jannaschii Nep1 Complexed With S-Adenosyl-Homocysteine" 99.51 205 97.06 97.06 2.94e-136 PDB 3BBE "M. Jannaschii Nep1" 100.00 205 100.00 100.00 4.76e-143 PDB 3BBH "M. Jannaschii Nep1 Complexed With Sinefungin" 100.00 205 100.00 100.00 4.76e-143 GB AAB98551 "conserved hypothetical protein [Methanocaldococcus jannaschii DSM 2661]" 100.00 205 100.00 100.00 4.76e-143 SP Q57977 "RecName: Full=Ribosomal RNA small subunit methyltransferase Nep1; AltName: Full=16S rRNA (pseudouridine-N1-)-methyltransferase " 100.00 205 100.00 100.00 4.76e-143 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nep1_chain 'Methanococcus jannaschii' 2190 Archaea . Methanococcus jannaschii 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 $Nep1_chain 'recombinant technology' . Escherichia coli BL21(DE3) pET11a 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 $Nep1_chain 300 uM '[U-13C; U-15N]' 'potassium chloride' 50 mM 'natural abundance' 'acetic acid' 25 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nep1_chain 200 uM '[U-13C; U-15N; U-2H]' 'potassium chloride' 50 mM 'natural abundance' 'acetic acid' 25 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2 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 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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' 0.063 . M pH 4.5 . pH pressure 1 . atm temperature 320 . 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 TSP C 13 'methyl protons' ppm 0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 TSP H 1 'methyl protons' ppm 0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 TSP N 15 'methyl protons' ppm 0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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 HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'monomer 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 THR C C 169.636 0.3 1 2 2 2 THR CA C 61.566 0.3 1 3 2 2 THR CB C 69.025 0.3 1 4 3 3 TYR H H 8.563 0.020 1 5 3 3 TYR C C 174.156 0.3 1 6 3 3 TYR CA C 56.754 0.3 1 7 3 3 TYR CB C 41.587 0.3 1 8 3 3 TYR N N 121.867 0.3 1 9 4 4 ASN H H 9.654 0.020 1 10 4 4 ASN C C 173.948 0.3 1 11 4 4 ASN CA C 52.126 0.3 1 12 4 4 ASN CB C 41.981 0.3 1 13 4 4 ASN N N 119.237 0.3 1 14 5 5 ILE H H 9.360 0.020 1 15 5 5 ILE C C 172.470 0.3 1 16 5 5 ILE CA C 60.036 0.3 1 17 5 5 ILE CB C 40.562 0.3 1 18 5 5 ILE N N 124.542 0.3 1 19 6 6 ILE H H 8.873 0.020 1 20 6 6 ILE C C 175.310 0.3 1 21 6 6 ILE CA C 59.234 0.3 1 22 6 6 ILE CB C 41.114 0.3 1 23 6 6 ILE N N 126.261 0.3 1 24 7 7 LEU H H 8.299 0.020 1 25 7 7 LEU C C 175.757 0.3 1 26 7 7 LEU CA C 53.287 0.3 1 27 7 7 LEU CB C 42.139 0.3 1 28 7 7 LEU N N 129.698 0.3 1 29 8 8 ALA H H 8.990 0.020 1 30 8 8 ALA C C 176.119 0.3 1 31 8 8 ALA CA C 50.996 0.3 1 32 8 8 ALA CB C 25.108 0.3 1 33 8 8 ALA N N 127.980 0.3 1 34 9 9 LYS H H 11.417 0.020 1 35 9 9 LYS C C 175.772 0.3 1 36 9 9 LYS CA C 55.037 0.3 1 37 9 9 LYS CB C 30.785 0.3 1 38 9 9 LYS N N 125.948 0.3 1 39 10 10 SER H H 9.917 0.020 1 40 10 10 SER C C 177.643 0.3 1 41 10 10 SER CA C 60.985 0.3 1 42 10 10 SER CB C 63.663 0.3 1 43 10 10 SER N N 109.699 0.3 1 44 11 11 ALA H H 8.417 0.020 1 45 11 11 ALA C C 177.320 0.3 1 46 11 11 ALA CA C 51.941 0.3 1 47 11 11 ALA CB C 18.328 0.3 1 48 11 11 ALA N N 130.401 0.3 1 49 12 12 LEU H H 8.624 0.020 1 50 12 12 LEU C C 172.394 0.3 1 51 12 12 LEU CA C 52.969 0.3 1 52 12 12 LEU CB C 44.977 0.3 1 53 12 12 LEU N N 126.536 0.3 1 54 13 13 GLU H H 9.077 0.020 1 55 13 13 GLU C C 175.564 0.3 1 56 13 13 GLU CA C 54.910 0.3 1 57 13 13 GLU CB C 36.541 0.3 1 58 13 13 GLU N N 123.214 0.3 1 59 14 14 LEU H H 8.464 0.020 1 60 14 14 LEU C C 177.643 0.3 1 61 14 14 LEU CA C 54.082 0.3 1 62 14 14 LEU CB C 41.508 0.3 1 63 14 14 LEU N N 121.183 0.3 1 64 15 15 ILE H H 7.772 0.020 1 65 15 15 ILE C C 174.387 0.3 1 66 15 15 ILE CA C 60.658 0.3 1 67 15 15 ILE CB C 38.354 0.3 1 68 15 15 ILE N N 120.710 0.3 1 69 16 16 PRO C C 177.179 0.3 1 70 16 16 PRO CA C 62.884 0.3 1 71 16 16 PRO CB C 32.591 0.3 1 72 17 17 GLU H H 8.703 0.020 1 73 17 17 GLU C C 178.313 0.3 1 74 17 17 GLU CA C 59.389 0.3 1 75 17 17 GLU CB C 28.893 0.3 1 76 17 17 GLU N N 124.583 0.3 1 77 18 18 GLU H H 9.383 0.020 1 78 18 18 GLU C C 177.089 0.3 1 79 18 18 GLU CA C 58.650 0.3 1 80 18 18 GLU CB C 29.043 0.3 1 81 18 18 GLU N N 115.089 0.3 1 82 19 19 ILE H H 7.310 0.020 1 83 19 19 ILE C C 176.211 0.3 1 84 19 19 ILE CA C 60.422 0.3 1 85 19 19 ILE CB C 38.433 0.3 1 86 19 19 ILE N N 109.230 0.3 1 87 20 20 LYS H H 7.349 0.020 1 88 20 20 LYS C C 177.389 0.3 1 89 20 20 LYS CA C 60.036 0.3 1 90 20 20 LYS CB C 32.204 0.3 1 91 20 20 LYS N N 123.527 0.3 1 92 21 21 ASN H H 8.409 0.020 1 93 21 21 ASN C C 175.634 0.3 1 94 21 21 ASN CA C 53.982 0.3 1 95 21 21 ASN CB C 37.093 0.3 1 96 21 21 ASN N N 114.074 0.3 1 97 22 22 LYS H H 7.710 0.020 1 98 22 22 LYS C C 175.888 0.3 1 99 22 22 LYS CA C 55.475 0.3 1 100 22 22 LYS CB C 33.308 0.3 1 101 22 22 LYS N N 117.738 0.3 1 102 23 23 ILE H H 7.035 0.020 1 103 23 23 ILE C C 175.195 0.3 1 104 23 23 ILE CA C 60.113 0.3 1 105 23 23 ILE CB C 38.512 0.3 1 106 23 23 ILE N N 119.855 0.3 1 107 24 24 ARG H H 8.496 0.020 1 108 24 24 ARG C C 176.096 0.3 1 109 24 24 ARG CA C 54.459 0.3 1 110 24 24 ARG CB C 30.785 0.3 1 111 24 24 ARG N N 127.589 0.3 1 112 25 25 LYS H H 8.480 0.020 1 113 25 25 LYS C C 175.934 0.3 1 114 25 25 LYS CA C 57.189 0.3 1 115 25 25 LYS CB C 32.598 0.3 1 116 25 25 LYS N N 124.620 0.3 1 117 26 26 SER H H 8.244 0.020 1 118 26 26 SER C C 174.548 0.3 1 119 26 26 SER CA C 56.119 0.3 1 120 26 26 SER CB C 65.398 0.3 1 121 26 26 SER N N 117.667 0.3 1 122 27 27 ARG H H 8.601 0.020 1 123 27 27 ARG C C 176.327 0.3 1 124 27 27 ARG CA C 57.441 0.3 1 125 27 27 ARG CB C 30.075 0.3 1 126 27 27 ARG N N 122.035 0.3 1 127 28 28 VAL H H 7.671 0.020 1 128 28 28 VAL C C 174.363 0.3 1 129 28 28 VAL CA C 63.094 0.3 1 130 28 28 VAL CB C 32.835 0.3 1 131 28 28 VAL N N 114.386 0.3 1 132 29 29 TYR H H 7.420 0.020 1 133 29 29 TYR C C 174.248 0.3 1 134 29 29 TYR CA C 58.276 0.3 1 135 29 29 TYR CB C 38.827 0.3 1 136 29 29 TYR N N 121.183 0.3 1 137 30 30 LYS H H 6.980 0.020 1 138 30 30 LYS C C 174.528 0.3 1 139 30 30 LYS CA C 54.884 0.3 1 140 30 30 LYS CB C 31.573 0.3 1 141 30 30 LYS N N 125.636 0.3 1 142 31 31 TYR H H 5.598 0.020 1 143 31 31 TYR C C 174.498 0.3 1 144 31 31 TYR CA C 57.329 0.3 1 145 31 31 TYR CB C 39.616 0.3 1 146 31 31 TYR N N 117.120 0.3 1 147 32 32 ASP H H 9.509 0.020 1 148 32 32 ASP C C 174.820 0.3 1 149 32 32 ASP CA C 53.030 0.3 1 150 32 32 ASP CB C 40.404 0.3 1 151 32 32 ASP N N 121.027 0.3 1 152 33 33 ILE H H 6.478 0.020 1 153 33 33 ILE C C 176.234 0.3 1 154 33 33 ILE CA C 58.285 0.3 1 155 33 33 ILE CB C 38.669 0.3 1 156 33 33 ILE N N 117.252 0.3 1 157 34 34 LEU H H 8.558 0.020 1 158 34 34 LEU C C 175.342 0.3 1 159 34 34 LEU CA C 55.071 0.3 1 160 34 34 LEU CB C 42.927 0.3 1 161 34 34 LEU N N 131.104 0.3 1 162 35 35 ASP H H 10.949 0.020 1 163 35 35 ASP C C 177.695 0.3 1 164 35 35 ASP CA C 53.455 0.3 1 165 35 35 ASP CB C 43.042 0.3 1 166 35 35 ASP N N 132.787 0.3 1 167 36 36 SER H H 10.451 0.020 1 168 36 36 SER C C 174.978 0.3 1 169 36 36 SER CA C 61.667 0.3 1 170 36 36 SER CB C 63.821 0.3 1 171 36 36 SER N N 125.167 0.3 1 172 37 37 ASN H H 9.226 0.020 1 173 37 37 ASN C C 175.357 0.3 1 174 37 37 ASN CA C 56.401 0.3 1 175 37 37 ASN CB C 38.748 0.3 1 176 37 37 ASN N N 119.855 0.3 1 177 38 38 TYR H H 7.442 0.020 1 178 38 38 TYR C C 177.643 0.3 1 179 38 38 TYR CA C 58.605 0.3 1 180 38 38 TYR CB C 39.537 0.3 1 181 38 38 TYR N N 114.824 0.3 1 182 39 39 HIS H H 8.417 0.020 1 183 39 39 HIS C C 175.865 0.3 1 184 39 39 HIS CA C 54.938 0.3 1 185 39 39 HIS CB C 33.072 0.3 1 186 39 39 HIS N N 118.448 0.3 1 187 40 40 TYR H H 7.527 0.020 1 188 40 40 TYR C C 177.584 0.3 1 189 40 40 TYR CA C 61.911 0.3 1 190 40 40 TYR CB C 36.777 0.3 1 191 40 40 TYR N N 119.381 0.3 1 192 41 41 LYS H H 8.079 0.020 1 193 41 41 LYS C C 178.675 0.3 1 194 41 41 LYS CA C 58.735 0.3 1 195 41 41 LYS CB C 31.219 0.3 1 196 41 41 LYS N N 120.011 0.3 1 197 42 42 ALA H H 7.537 0.020 1 198 42 42 ALA C C 177.712 0.3 1 199 42 42 ALA CA C 53.305 0.3 1 200 42 42 ALA CB C 19.589 0.3 1 201 42 42 ALA N N 120.870 0.3 1 202 43 43 MET H H 7.530 0.020 1 203 43 43 MET C C 175.495 0.3 1 204 43 43 MET CA C 56.344 0.3 1 205 43 43 MET CB C 33.860 0.3 1 206 43 43 MET N N 113.605 0.3 1 207 44 44 GLU H H 6.933 0.020 1 208 44 44 GLU C C 176.604 0.3 1 209 44 44 GLU CA C 59.832 0.3 1 210 44 44 GLU CB C 29.760 0.3 1 211 44 44 GLU N N 117.042 0.3 1 212 45 45 LYS H H 8.009 0.020 1 213 45 45 LYS C C 176.026 0.3 1 214 45 45 LYS CA C 54.319 0.3 1 215 45 45 LYS CB C 31.495 0.3 1 216 45 45 LYS N N 115.089 0.3 1 217 46 46 LEU H H 7.561 0.020 1 218 46 46 LEU C C 176.673 0.3 1 219 46 46 LEU CA C 54.211 0.3 1 220 46 46 LEU CB C 43.321 0.3 1 221 46 46 LEU N N 122.745 0.3 1 222 47 47 LYS H H 8.456 0.020 1 223 47 47 LYS C C 175.795 0.3 1 224 47 47 LYS CA C 56.880 0.3 1 225 47 47 LYS CB C 32.125 0.3 1 226 47 47 LYS N N 128.058 0.3 1 227 48 48 ASP H H 8.876 0.020 1 228 48 48 ASP C C 177.204 0.3 1 229 48 48 ASP CA C 55.332 0.3 1 230 48 48 ASP CB C 38.512 0.3 1 231 48 48 ASP N N 119.362 0.3 1 232 49 49 LYS H H 7.113 0.020 1 233 49 49 LYS C C 176.696 0.3 1 234 49 49 LYS CA C 60.169 0.3 1 235 49 49 LYS CB C 31.731 0.3 1 236 49 49 LYS N N 115.011 0.3 1 237 50 50 GLU H H 8.998 0.020 1 238 50 50 GLU C C 176.601 0.3 1 239 50 50 GLU CA C 58.200 0.3 1 240 50 50 GLU CB C 28.025 0.3 1 241 50 50 GLU N N 117.589 0.3 1 242 51 51 MET H H 7.852 0.020 1 243 51 51 MET C C 174.506 0.3 1 244 51 51 MET CA C 55.501 0.3 1 245 51 51 MET CB C 34.964 0.3 1 246 51 51 MET N N 115.480 0.3 1 247 52 52 ARG H H 6.893 0.020 1 248 52 52 ARG C C 176.373 0.3 1 249 52 52 ARG CA C 55.273 0.3 1 250 52 52 ARG CB C 35.902 0.3 1 251 52 52 ARG N N 115.963 0.3 1 252 53 53 GLY H H 10.508 0.020 1 253 53 53 GLY C C 174.702 0.3 1 254 53 53 GLY CA C 46.585 0.3 1 255 53 53 GLY N N 106.662 0.3 1 256 54 54 ARG H H 7.498 0.020 1 257 54 54 ARG C C 172.536 0.3 1 258 54 54 ARG CA C 51.521 0.3 1 259 54 54 ARG CB C 30.312 0.3 1 260 54 54 ARG N N 116.730 0.3 1 261 55 55 PRO C C 177.874 0.3 1 262 55 55 PRO CA C 64.898 0.3 1 263 55 55 PRO CB C 31.566 0.3 1 264 56 56 ASP H H 9.044 0.020 1 265 56 56 ASP C C 177.343 0.3 1 266 56 56 ASP CA C 56.350 0.3 1 267 56 56 ASP CB C 38.354 0.3 1 268 56 56 ASP N N 117.882 0.3 1 269 57 57 ILE H H 7.565 0.020 1 270 57 57 ILE C C 178.267 0.3 1 271 57 57 ILE CA C 65.091 0.3 1 272 57 57 ILE CB C 38.084 0.3 1 273 57 57 ILE N N 119.513 0.3 1 274 58 58 ILE H H 7.239 0.020 1 275 58 58 ILE C C 175.911 0.3 1 276 58 58 ILE CA C 62.672 0.3 1 277 58 58 ILE CB C 35.316 0.3 1 278 58 58 ILE N N 120.245 0.3 1 279 59 59 HIS H H 7.875 0.020 1 280 59 59 HIS C C 175.327 0.3 1 281 59 59 HIS CA C 59.260 0.3 1 282 59 59 HIS CB C 32.591 0.3 1 283 59 59 HIS N N 121.127 0.3 1 284 60 60 ILE H H 7.761 0.020 1 285 60 60 ILE C C 178.336 0.3 1 286 60 60 ILE CA C 63.403 0.3 1 287 60 60 ILE N N 114.419 0.3 1 288 61 61 SER H H 7.446 0.020 1 289 61 61 SER C C 175.771 0.3 1 290 61 61 SER CA C 64.191 0.3 1 291 61 61 SER N N 114.371 0.3 1 292 62 62 LEU H H 8.397 0.020 1 293 62 62 LEU C C 178.082 0.3 1 294 62 62 LEU CA C 57.525 0.3 1 295 62 62 LEU CB C 42.060 0.3 1 296 62 62 LEU N N 120.158 0.3 1 297 63 63 LEU H H 7.774 0.020 1 298 63 63 LEU C C 181.084 0.3 1 299 63 63 LEU CA C 57.932 0.3 1 300 63 63 LEU N N 119.727 0.3 1 301 64 64 ASN H H 7.388 0.020 1 302 64 64 ASN C C 178.321 0.3 1 303 64 64 ASN CA C 54.349 0.3 1 304 64 64 ASN CB C 37.408 0.3 1 305 64 64 ASN N N 117.891 0.3 1 306 65 65 ILE H H 8.378 0.020 1 307 65 65 ILE C C 179.625 0.3 1 308 65 65 ILE CA C 65.136 0.3 1 309 65 65 ILE CB C 39.687 0.3 1 310 65 65 ILE N N 121.027 0.3 1 311 66 66 LEU H H 9.093 0.020 1 312 66 66 LEU C C 177.753 0.3 1 313 66 66 LEU CA C 56.493 0.3 1 314 66 66 LEU CB C 40.771 0.3 1 315 66 66 LEU N N 117.329 0.3 1 316 67 67 ASP H H 6.792 0.020 1 317 67 67 ASP C C 173.963 0.3 1 318 67 67 ASP CA C 52.238 0.3 1 319 67 67 ASP CB C 42.375 0.3 1 320 67 67 ASP N N 113.187 0.3 1 321 68 68 SER H H 7.346 0.020 1 322 68 68 SER C C 173.808 0.3 1 323 68 68 SER CA C 57.722 0.3 1 324 68 68 SER CB C 62.007 0.3 1 325 68 68 SER N N 113.137 0.3 1 326 69 69 PRO C C 177.041 0.3 1 327 69 69 PRO CA C 66.951 0.3 1 328 69 69 PRO CB C 29.736 0.3 1 329 70 70 ILE H H 7.654 0.020 1 330 70 70 ILE C C 175.634 0.3 1 331 70 70 ILE CA C 61.547 0.3 1 332 70 70 ILE CB C 37.345 0.3 1 333 70 70 ILE N N 113.010 0.3 1 334 71 71 ASN H H 7.379 0.020 1 335 71 71 ASN C C 180.299 0.3 1 336 71 71 ASN CA C 57.090 0.3 1 337 71 71 ASN CB C 40.633 0.3 1 338 71 71 ASN N N 120.806 0.3 1 339 72 72 HIS H H 8.196 0.020 1 340 72 72 HIS C C 176.371 0.3 1 341 72 72 HIS CA C 59.614 0.3 1 342 72 72 HIS CB C 28.097 0.3 1 343 72 72 HIS N N 120.091 0.3 1 344 73 73 GLU H H 7.813 0.020 1 345 73 73 GLU C C 174.848 0.3 1 346 73 73 GLU CA C 55.810 0.3 1 347 73 73 GLU CB C 29.279 0.3 1 348 73 73 GLU N N 116.588 0.3 1 349 74 74 LYS H H 8.010 0.020 1 350 74 74 LYS C C 177.389 0.3 1 351 74 74 LYS CA C 56.855 0.3 1 352 74 74 LYS CB C 28.025 0.3 1 353 74 74 LYS N N 114.797 0.3 1 354 75 75 LYS H H 7.290 0.020 1 355 75 75 LYS C C 174.641 0.3 1 356 75 75 LYS CA C 55.778 0.3 1 357 75 75 LYS CB C 32.914 0.3 1 358 75 75 LYS N N 115.455 0.3 1 359 76 76 LEU H H 8.778 0.020 1 360 76 76 LEU C C 177.343 0.3 1 361 76 76 LEU CA C 53.026 0.3 1 362 76 76 LEU CB C 45.995 0.3 1 363 76 76 LEU N N 118.605 0.3 1 364 77 77 ASN H H 9.050 0.020 1 365 77 77 ASN C C 173.384 0.3 1 366 77 77 ASN CA C 52.345 0.3 1 367 77 77 ASN CB C 40.325 0.3 1 368 77 77 ASN N N 121.873 0.3 1 369 78 78 ILE H H 8.677 0.020 1 370 78 78 ILE C C 173.546 0.3 1 371 78 78 ILE CA C 61.465 0.3 1 372 78 78 ILE CB C 40.397 0.3 1 373 78 78 ILE N N 124.165 0.3 1 374 79 79 TYR H H 8.818 0.020 1 375 79 79 TYR C C 174.895 0.3 1 376 79 79 TYR CA C 55.661 0.3 1 377 79 79 TYR CB C 42.296 0.3 1 378 79 79 TYR N N 123.527 0.3 1 379 80 80 ILE H H 9.305 0.020 1 380 80 80 ILE C C 174.333 0.3 1 381 80 80 ILE CA C 58.923 0.3 1 382 80 80 ILE CB C 39.300 0.3 1 383 80 80 ILE N N 120.870 0.3 1 384 81 81 HIS H H 9.741 0.020 1 385 81 81 HIS C C 176.092 0.3 1 386 81 81 HIS CA C 55.004 0.3 1 387 81 81 HIS CB C 33.702 0.3 1 388 81 81 HIS N N 129.350 0.3 1 389 82 82 THR H H 9.367 0.020 1 390 82 82 THR C C 174.859 0.3 1 391 82 82 THR CA C 62.056 0.3 1 392 82 82 THR CB C 71.817 0.3 1 393 82 82 THR N N 121.183 0.3 1 394 83 83 TYR H H 8.520 0.020 1 395 83 83 TYR C C 174.915 0.3 1 396 83 83 TYR CA C 62.559 0.3 1 397 83 83 TYR CB C 39.300 0.3 1 398 83 83 TYR N N 119.227 0.3 1 399 84 84 ASP H H 8.182 0.020 1 400 84 84 ASP C C 173.914 0.3 1 401 84 84 ASP CA C 52.126 0.3 1 402 84 84 ASP CB C 38.512 0.3 1 403 84 84 ASP N N 112.277 0.3 1 404 85 85 ASP H H 7.797 0.020 1 405 85 85 ASP C C 174.472 0.3 1 406 85 85 ASP CA C 56.597 0.3 1 407 85 85 ASP CB C 37.802 0.3 1 408 85 85 ASP N N 114.152 0.3 1 409 86 86 LYS H H 7.605 0.020 1 410 86 86 LYS C C 175.513 0.3 1 411 86 86 LYS CA C 54.516 0.3 1 412 86 86 LYS CB C 33.072 0.3 1 413 86 86 LYS N N 114.371 0.3 1 414 87 87 VAL H H 9.171 0.020 1 415 87 87 VAL C C 174.664 0.3 1 416 87 87 VAL CA C 60.478 0.3 1 417 87 87 VAL CB C 34.727 0.3 1 418 87 87 VAL N N 119.230 0.3 1 419 88 88 LEU H H 9.744 0.020 1 420 88 88 LEU C C 175.351 0.3 1 421 88 88 LEU CA C 52.611 0.3 1 422 88 88 LEU CB C 42.533 0.3 1 423 88 88 LEU N N 127.589 0.3 1 424 89 89 LYS H H 9.030 0.020 1 425 89 89 LYS C C 175.865 0.3 1 426 89 89 LYS CA C 55.143 0.3 1 427 89 89 LYS CB C 33.545 0.3 1 428 89 89 LYS N N 125.167 0.3 1 429 90 90 ILE H H 7.907 0.020 1 430 90 90 ILE C C 174.317 0.3 1 431 90 90 ILE CA C 58.742 0.3 1 432 90 90 ILE CB C 37.644 0.3 1 433 90 90 ILE N N 127.198 0.3 1 434 91 91 ASN H H 8.653 0.020 1 435 91 91 ASN C C 175.264 0.3 1 436 91 91 ASN CA C 52.663 0.3 1 437 91 91 ASN CB C 39.221 0.3 1 438 91 91 ASN N N 128.292 0.3 1 439 92 92 PRO C C 177.133 0.3 1 440 92 92 PRO CA C 65.456 0.3 1 441 92 92 PRO CB C 33.695 0.3 1 442 93 93 GLU H H 8.857 0.020 1 443 93 93 GLU C C 175.865 0.3 1 444 93 93 GLU CA C 55.726 0.3 1 445 93 93 GLU CB C 28.735 0.3 1 446 93 93 GLU N N 114.620 0.3 1 447 94 94 THR H H 7.831 0.020 1 448 94 94 THR C C 173.576 0.3 1 449 94 94 THR CA C 65.942 0.3 1 450 94 94 THR CB C 68.861 0.3 1 451 94 94 THR N N 119.113 0.3 1 452 95 95 ARG H H 8.404 0.020 1 453 95 95 ARG C C 175.219 0.3 1 454 95 95 ARG CA C 53.783 0.3 1 455 95 95 ARG CB C 28.656 0.3 1 456 95 95 ARG N N 129.352 0.3 1 457 96 96 LEU H H 8.056 0.020 1 458 96 96 LEU C C 174.109 0.3 1 459 96 96 LEU CA C 51.597 0.3 1 460 96 96 LEU CB C 43.085 0.3 1 461 96 96 LEU N N 127.042 0.3 1 462 97 97 PRO C C 175.745 0.3 1 463 97 97 PRO CA C 63.065 0.3 1 464 97 97 PRO CB C 32.670 0.3 1 465 98 98 ARG H H 8.291 0.020 1 466 98 98 ARG C C 175.628 0.3 1 467 98 98 ARG CA C 58.224 0.3 1 468 98 98 ARG CB C 30.154 0.3 1 469 98 98 ARG N N 123.888 0.3 1 470 99 99 ASN H H 7.594 0.020 1 471 99 99 ASN C C 175.581 0.3 1 472 99 99 ASN CA C 52.913 0.3 1 473 99 99 ASN CB C 40.168 0.3 1 474 99 99 ASN N N 117.394 0.3 1 475 100 100 TYR H H 8.849 0.020 1 476 100 100 TYR C C 175.511 0.3 1 477 100 100 TYR CA C 60.321 0.3 1 478 100 100 TYR CB C 39.056 0.3 1 479 100 100 TYR N N 128.214 0.3 1 480 101 101 PHE H H 7.178 0.020 1 481 101 101 PHE C C 177.400 0.3 1 482 101 101 PHE CA C 58.975 0.3 1 483 101 101 PHE CB C 35.910 0.3 1 484 101 101 PHE N N 116.368 0.3 1 485 102 102 ARG H H 8.095 0.020 1 486 102 102 ARG C C 179.750 0.3 1 487 102 102 ARG CA C 58.775 0.3 1 488 102 102 ARG CB C 29.287 0.3 1 489 102 102 ARG N N 118.744 0.3 1 490 103 103 PHE H H 7.969 0.020 1 491 103 103 PHE C C 175.218 0.3 1 492 103 103 PHE CA C 60.956 0.3 1 493 103 103 PHE CB C 37.093 0.3 1 494 103 103 PHE N N 121.209 0.3 1 495 104 104 LEU H H 7.771 0.020 1 496 104 104 LEU C C 178.452 0.3 1 497 104 104 LEU CA C 57.292 0.3 1 498 104 104 LEU CB C 40.275 0.3 1 499 104 104 LEU N N 121.005 0.3 1 500 105 105 GLY H H 7.663 0.020 1 501 105 105 GLY C C 176.119 0.3 1 502 105 105 GLY CA C 47.232 0.3 1 503 105 105 GLY N N 104.855 0.3 1 504 106 106 VAL H H 7.349 0.020 1 505 106 106 VAL C C 178.452 0.3 1 506 106 106 VAL CA C 65.784 0.3 1 507 106 106 VAL CB C 31.652 0.3 1 508 106 106 VAL N N 120.870 0.3 1 509 107 107 MET H H 7.679 0.020 1 510 107 107 MET C C 177.551 0.3 1 511 107 107 MET CA C 55.946 0.3 1 512 107 107 MET CB C 31.652 0.3 1 513 107 107 MET N N 116.351 0.3 1 514 108 108 GLU H H 8.996 0.020 1 515 108 108 GLU C C 176.904 0.3 1 516 108 108 GLU CA C 59.944 0.3 1 517 108 108 GLU CB C 29.050 0.3 1 518 108 108 GLU N N 120.300 0.3 1 519 109 109 LYS H H 6.872 0.020 1 520 109 109 LYS C C 178.336 0.3 1 521 109 109 LYS CA C 59.749 0.3 1 522 109 109 LYS CB C 32.271 0.3 1 523 109 109 LYS N N 115.764 0.3 1 524 110 110 VAL H H 7.215 0.020 1 525 110 110 VAL C C 180.068 0.3 1 526 110 110 VAL CA C 65.794 0.3 1 527 110 110 VAL CB C 31.490 0.3 1 528 110 110 VAL N N 117.355 0.3 1 529 111 111 LEU H H 8.460 0.020 1 530 111 111 LEU C C 178.199 0.3 1 531 111 111 LEU CA C 57.694 0.3 1 532 111 111 LEU CB C 40.877 0.3 1 533 111 111 LEU N N 120.167 0.3 1 534 112 112 LYS H H 7.681 0.020 1 535 112 112 LYS C C 176.719 0.3 1 536 112 112 LYS CA C 57.332 0.3 1 537 112 112 LYS CB C 32.677 0.3 1 538 112 112 LYS N N 116.515 0.3 1 539 113 113 GLY H H 7.852 0.020 1 540 113 113 GLY C C 174.617 0.3 1 541 113 113 GLY CA C 45.150 0.3 1 542 113 113 GLY N N 106.574 0.3 1 543 114 114 GLU H H 8.017 0.020 1 544 114 114 GLU C C 176.924 0.3 1 545 114 114 GLU CA C 56.412 0.3 1 546 114 114 GLU CB C 29.050 0.3 1 547 114 114 GLU N N 121.027 0.3 1 548 115 115 ARG H H 8.542 0.020 1 549 115 115 ARG C C 175.511 0.3 1 550 115 115 ARG CA C 56.821 0.3 1 551 115 115 ARG CB C 29.674 0.3 1 552 115 115 ARG N N 126.339 0.3 1 553 116 116 ASN H H 8.778 0.020 1 554 116 116 ASN C C 175.172 0.3 1 555 116 116 ASN CA C 52.425 0.3 1 556 116 116 ASN CB C 40.719 0.3 1 557 116 116 ASN N N 124.542 0.3 1 558 117 117 HIS C C 174.518 0.3 1 559 117 117 HIS CA C 57.722 0.3 1 560 117 117 HIS CB C 28.649 0.3 1 561 118 118 LEU H H 8.244 0.020 1 562 118 118 LEU C C 175.010 0.3 1 563 118 118 LEU CA C 55.416 0.3 1 564 118 118 LEU CB C 42.210 0.3 1 565 118 118 LEU N N 118.683 0.3 1 566 119 119 ILE H H 7.263 0.020 1 567 119 119 ILE C C 173.440 0.3 1 568 119 119 ILE CA C 60.000 0.3 1 569 119 119 ILE CB C 40.010 0.3 1 570 119 119 ILE N N 118.761 0.3 1 571 120 120 LYS H H 7.887 0.020 1 572 120 120 LYS C C 174.987 0.3 1 573 120 120 LYS CA C 54.703 0.3 1 574 120 120 LYS CB C 34.727 0.3 1 575 120 120 LYS N N 125.596 0.3 1 576 121 121 MET H H 8.638 0.020 1 577 121 121 MET C C 174.872 0.3 1 578 121 121 MET CA C 54.499 0.3 1 579 121 121 MET CB C 36.304 0.3 1 580 121 121 MET N N 125.521 0.3 1 581 122 122 GLU H H 9.218 0.020 1 582 122 122 GLU C C 173.740 0.3 1 583 122 122 GLU CA C 54.095 0.3 1 584 122 122 GLU CB C 32.520 0.3 1 585 122 122 GLU N N 124.308 0.3 1 586 123 123 GLU H H 8.543 0.020 1 587 123 123 GLU C C 175.102 0.3 1 588 123 123 GLU CA C 56.101 0.3 1 589 123 123 GLU CB C 28.814 0.3 1 590 123 123 GLU N N 122.042 0.3 1 591 124 124 LYS H H 8.048 0.020 1 592 124 124 LYS C C 173.578 0.3 1 593 124 124 LYS CA C 55.143 0.3 1 594 124 124 LYS CB C 36.068 0.3 1 595 124 124 LYS N N 126.339 0.3 1 596 125 125 THR H H 7.836 0.020 1 597 125 125 THR C C 174.502 0.3 1 598 125 125 THR CA C 60.394 0.3 1 599 125 125 THR CB C 70.977 0.3 1 600 125 125 THR N N 109.542 0.3 1 601 126 126 LEU H H 8.536 0.020 1 602 126 126 LEU C C 177.712 0.3 1 603 126 126 LEU CA C 57.494 0.3 1 604 126 126 LEU CB C 40.700 0.3 1 605 126 126 LEU N N 122.276 0.3 1 606 127 127 GLU H H 9.320 0.020 1 607 127 127 GLU C C 176.996 0.3 1 608 127 127 GLU CA C 62.025 0.3 1 609 127 127 GLU CB C 27.316 0.3 1 610 127 127 GLU N N 116.105 0.3 1 611 128 128 ASP H H 7.228 0.020 1 612 128 128 ASP C C 179.283 0.3 1 613 128 128 ASP CA C 56.754 0.3 1 614 128 128 ASP CB C 39.608 0.3 1 615 128 128 ASP N N 115.376 0.3 1 616 129 129 LEU H H 8.244 0.020 1 617 129 129 LEU C C 176.996 0.3 1 618 129 129 LEU CA C 57.913 0.3 1 619 129 129 LEU CB C 40.798 0.3 1 620 129 129 LEU N N 123.450 0.3 1 621 130 130 LEU H H 7.758 0.020 1 622 130 130 LEU C C 177.712 0.3 1 623 130 130 LEU CA C 57.441 0.3 1 624 130 130 LEU CB C 40.483 0.3 1 625 130 130 LEU N N 116.994 0.3 1 626 131 131 ASN H H 7.247 0.020 1 627 131 131 ASN C C 178.474 0.3 1 628 131 131 ASN CA C 54.741 0.3 1 629 131 131 ASN CB C 36.777 0.3 1 630 131 131 ASN N N 115.946 0.3 1 631 132 132 GLU H H 8.394 0.020 1 632 132 132 GLU C C 178.036 0.3 1 633 132 132 GLU CA C 59.027 0.3 1 634 132 132 GLU CB C 28.893 0.3 1 635 132 132 GLU N N 124.698 0.3 1 636 133 133 ILE H H 7.671 0.020 1 637 133 133 ILE C C 175.079 0.3 1 638 133 133 ILE CA C 60.872 0.3 1 639 133 133 ILE CB C 36.646 0.3 1 640 133 133 ILE N N 110.246 0.3 1 641 134 134 ASN H H 7.731 0.020 1 642 134 134 ASN C C 173.760 0.3 1 643 134 134 ASN CA C 53.448 0.3 1 644 134 134 ASN CB C 36.729 0.3 1 645 134 134 ASN N N 118.029 0.3 1 646 135 135 ALA H H 7.592 0.020 1 647 135 135 ALA C C 177.323 0.3 1 648 135 135 ALA CA C 52.865 0.3 1 649 135 135 ALA CB C 19.668 0.3 1 650 135 135 ALA N N 120.665 0.3 1 651 136 136 LYS H H 9.124 0.020 1 652 136 136 LYS C C 176.558 0.3 1 653 136 136 LYS CA C 57.551 0.3 1 654 136 136 LYS CB C 34.727 0.3 1 655 136 136 LYS N N 124.620 0.3 1 656 137 137 LYS H H 10.074 0.020 1 657 137 137 LYS C C 173.809 0.3 1 658 137 137 LYS CA C 55.816 0.3 1 659 137 137 LYS CB C 33.308 0.3 1 660 137 137 LYS N N 127.198 0.3 1 661 138 138 ILE H H 8.665 0.020 1 662 138 138 ILE C C 173.324 0.3 1 663 138 138 ILE CA C 60.153 0.3 1 664 138 138 ILE CB C 40.168 0.3 1 665 138 138 ILE N N 125.854 0.3 1 666 139 139 ALA H H 8.658 0.020 1 667 139 139 ALA C C 176.073 0.3 1 668 139 139 ALA CA C 49.314 0.3 1 669 139 139 ALA CB C 19.195 0.3 1 670 139 139 ALA N N 131.184 0.3 1 671 140 140 ILE H H 8.771 0.020 1 672 140 140 ILE C C 174.825 0.3 1 673 140 140 ILE CA C 60.243 0.3 1 674 140 140 ILE CB C 38.512 0.3 1 675 140 140 ILE N N 122.666 0.3 1 676 141 141 MET H H 8.486 0.020 1 677 141 141 MET C C 175.726 0.3 1 678 141 141 MET CA C 52.321 0.3 1 679 141 141 MET CB C 27.552 0.3 1 680 141 141 MET N N 125.747 0.3 1 681 142 142 THR H H 8.830 0.020 1 682 142 142 THR C C 174.040 0.3 1 683 142 142 THR CA C 59.044 0.3 1 684 142 142 THR CB C 69.971 0.3 1 685 142 142 THR N N 119.858 0.3 1 686 143 143 LYS H H 8.566 0.020 1 687 143 143 LYS C C 176.858 0.3 1 688 143 143 LYS CA C 58.328 0.3 1 689 143 143 LYS CB C 32.520 0.3 1 690 143 143 LYS N N 124.308 0.3 1 691 144 144 THR H H 7.537 0.020 1 692 144 144 THR C C 174.756 0.3 1 693 144 144 THR CA C 61.011 0.3 1 694 144 144 THR CB C 68.315 0.3 1 695 144 144 THR N N 107.042 0.3 1 696 145 145 GLY H H 7.522 0.020 1 697 145 145 GLY C C 171.407 0.3 1 698 145 145 GLY CA C 43.729 0.3 1 699 145 145 GLY N N 108.996 0.3 1 700 146 146 LYS H H 7.679 0.020 1 701 146 146 LYS C C 177.897 0.3 1 702 146 146 LYS CA C 56.464 0.3 1 703 146 146 LYS CB C 32.598 0.3 1 704 146 146 LYS N N 121.027 0.3 1 705 147 147 LEU H H 8.731 0.020 1 706 147 147 LEU C C 176.881 0.3 1 707 147 147 LEU CA C 56.385 0.3 1 708 147 147 LEU CB C 40.798 0.3 1 709 147 147 LEU N N 133.920 0.3 1 710 148 148 THR H H 8.975 0.020 1 711 148 148 THR C C 171.915 0.3 1 712 148 148 THR CA C 61.771 0.3 1 713 148 148 THR CB C 72.100 0.3 1 714 148 148 THR N N 126.261 0.3 1 715 149 149 HIS H H 8.543 0.020 1 716 149 149 HIS C C 174.848 0.3 1 717 149 149 HIS CA C 55.778 0.3 1 718 149 149 HIS CB C 31.082 0.3 1 719 149 149 HIS N N 128.030 0.3 1 720 150 150 PRO C C 177.573 0.3 1 721 150 150 PRO CA C 64.981 0.3 1 722 150 150 PRO CB C 31.179 0.3 1 723 151 151 LYS H H 10.946 0.020 1 724 151 151 LYS C C 178.055 0.3 1 725 151 151 LYS CA C 59.027 0.3 1 726 151 151 LYS CB C 31.339 0.3 1 727 151 151 LYS N N 122.390 0.3 1 728 152 152 LEU H H 8.160 0.020 1 729 152 152 LEU C C 178.552 0.3 1 730 152 152 LEU CA C 55.219 0.3 1 731 152 152 LEU CB C 40.877 0.3 1 732 152 152 LEU N N 118.808 0.3 1 733 153 153 LEU H H 7.842 0.020 1 734 153 153 LEU C C 176.812 0.3 1 735 153 153 LEU CA C 57.326 0.3 1 736 153 153 LEU CB C 39.450 0.3 1 737 153 153 LEU N N 118.208 0.3 1 738 154 154 LYS H H 7.066 0.020 1 739 154 154 LYS C C 176.350 0.3 1 740 154 154 LYS CA C 58.369 0.3 1 741 154 154 LYS CB C 32.362 0.3 1 742 154 154 LYS N N 112.199 0.3 1 743 155 155 GLU H H 7.411 0.020 1 744 155 155 GLU C C 175.333 0.3 1 745 155 155 GLU CA C 56.619 0.3 1 746 155 155 GLU CB C 28.814 0.3 1 747 155 155 GLU N N 116.410 0.3 1 748 156 156 TYR H H 7.718 0.020 1 749 156 156 TYR C C 173.555 0.3 1 750 156 156 TYR CA C 57.965 0.3 1 751 156 156 TYR CB C 38.354 0.3 1 752 156 156 TYR N N 120.415 0.3 1 753 157 157 ASP H H 8.456 0.020 1 754 157 157 ASP C C 175.542 0.3 1 755 157 157 ASP CA C 53.826 0.3 1 756 157 157 ASP CB C 43.006 0.3 1 757 157 157 ASP N N 113.292 0.3 1 758 158 158 THR H H 7.406 0.020 1 759 158 158 THR C C 170.530 0.3 1 760 158 158 THR CA C 62.166 0.3 1 761 158 158 THR CB C 72.176 0.3 1 762 158 158 THR N N 117.074 0.3 1 763 159 159 PHE H H 8.708 0.020 1 764 159 159 PHE C C 174.063 0.3 1 765 159 159 PHE CA C 55.946 0.3 1 766 159 159 PHE CB C 42.612 0.3 1 767 159 159 PHE N N 124.744 0.3 1 768 160 160 ILE H H 9.069 0.020 1 769 160 160 ILE C C 173.486 0.3 1 770 160 160 ILE CA C 60.140 0.3 1 771 160 160 ILE CB C 38.985 0.3 1 772 160 160 ILE N N 121.583 0.3 1 773 161 161 ILE H H 8.896 0.020 1 774 161 161 ILE C C 175.703 0.3 1 775 161 161 ILE CA C 60.187 0.3 1 776 161 161 ILE CB C 41.902 0.3 1 777 161 161 ILE N N 128.136 0.3 1 778 162 162 GLY H H 9.250 0.020 1 779 162 162 GLY C C 173.647 0.3 1 780 162 162 GLY CA C 46.248 0.3 1 781 162 162 GLY N N 115.089 0.3 1 782 163 163 GLY H H 9.462 0.020 1 783 163 163 GLY C C 172.631 0.3 1 784 163 163 GLY CA C 45.621 0.3 1 785 163 163 GLY N N 118.683 0.3 1 786 164 164 PHE H H 7.027 0.020 1 787 164 164 PHE C C 173.878 0.3 1 788 164 164 PHE CA C 52.913 0.3 1 789 164 164 PHE CB C 38.748 0.3 1 790 164 164 PHE N N 115.558 0.3 1 791 165 165 PRO C C 174.888 0.3 1 792 165 165 PRO CA C 65.287 0.3 1 793 165 165 PRO CB C 31.645 0.3 1 794 166 166 TYR H H 7.263 0.020 1 795 166 166 TYR C C 173.162 0.3 1 796 166 166 TYR CA C 57.047 0.3 1 797 166 166 TYR CB C 40.483 0.3 1 798 166 166 TYR N N 115.558 0.3 1 799 167 167 GLY H H 7.859 0.020 1 800 167 167 GLY C C 171.938 0.3 1 801 167 167 GLY CA C 43.895 0.3 1 802 167 167 GLY N N 108.761 0.3 1 803 168 168 LYS H H 7.819 0.020 1 804 168 168 LYS C C 174.918 0.3 1 805 168 168 LYS CA C 54.938 0.3 1 806 168 168 LYS CB C 34.570 0.3 1 807 168 168 LYS N N 119.028 0.3 1 808 169 169 LEU H H 8.543 0.020 1 809 169 169 LEU C C 174.848 0.3 1 810 169 169 LEU CA C 54.185 0.3 1 811 169 169 LEU CB C 43.164 0.3 1 812 169 169 LEU N N 125.480 0.3 1 813 170 170 LYS H H 8.386 0.020 1 814 170 170 LYS C C 174.294 0.3 1 815 170 170 LYS CA C 55.325 0.3 1 816 170 170 LYS CB C 32.914 0.3 1 817 170 170 LYS N N 127.120 0.3 1 818 171 171 ILE H H 8.103 0.020 1 819 171 171 ILE C C 173.832 0.3 1 820 171 171 ILE CA C 59.053 0.3 1 821 171 171 ILE CB C 40.562 0.3 1 822 171 171 ILE N N 123.370 0.3 1 823 172 172 ASN H H 9.854 0.020 1 824 172 172 ASN C C 175.219 0.3 1 825 172 172 ASN CA C 51.402 0.3 1 826 172 172 ASN CB C 36.541 0.3 1 827 172 172 ASN N N 126.964 0.3 1 828 173 173 LYS H H 8.111 0.020 1 829 173 173 LYS C C 177.297 0.3 1 830 173 173 LYS CA C 59.286 0.3 1 831 173 173 LYS CB C 32.047 0.3 1 832 173 173 LYS N N 124.151 0.3 1 833 174 174 GLU H H 8.315 0.020 1 834 174 174 GLU C C 176.973 0.3 1 835 174 174 GLU CA C 57.919 0.3 1 836 174 174 GLU CB C 28.104 0.3 1 837 174 174 GLU N N 116.652 0.3 1 838 175 175 LYS H H 7.208 0.020 1 839 175 175 LYS C C 174.987 0.3 1 840 175 175 LYS CA C 54.994 0.3 1 841 175 175 LYS CB C 32.993 0.3 1 842 175 175 LYS N N 116.027 0.3 1 843 176 176 VAL H H 7.019 0.020 1 844 176 176 VAL C C 175.218 0.3 1 845 176 176 VAL CA C 61.378 0.3 1 846 176 176 VAL CB C 33.353 0.3 1 847 176 176 VAL N N 120.480 0.3 1 848 177 177 PHE H H 8.723 0.020 1 849 177 177 PHE C C 177.966 0.3 1 850 177 177 PHE CA C 58.017 0.3 1 851 177 177 PHE CB C 37.881 0.3 1 852 177 177 PHE N N 126.808 0.3 1 853 178 178 GLY H H 8.315 0.020 1 854 178 178 GLY C C 170.091 0.3 1 855 178 178 GLY CA C 44.274 0.3 1 856 178 178 GLY N N 107.746 0.3 1 857 179 179 ASP H H 8.017 0.020 1 858 179 179 ASP C C 174.779 0.3 1 859 179 179 ASP CA C 53.363 0.3 1 860 179 179 ASP CB C 42.683 0.3 1 861 179 179 ASP N N 118.605 0.3 1 862 180 180 ILE H H 8.359 0.020 1 863 180 180 ILE C C 175.264 0.3 1 864 180 180 ILE CA C 60.523 0.3 1 865 180 180 ILE CB C 40.002 0.3 1 866 180 180 ILE N N 124.622 0.3 1 867 181 181 LYS H H 8.771 0.020 1 868 181 181 LYS C C 174.456 0.3 1 869 181 181 LYS CA C 53.965 0.3 1 870 181 181 LYS CB C 35.595 0.3 1 871 181 181 LYS N N 128.058 0.3 1 872 182 182 GLU H H 8.244 0.020 1 873 182 182 GLU C C 176.003 0.3 1 874 182 182 GLU CA C 55.558 0.3 1 875 182 182 GLU CB C 29.366 0.3 1 876 182 182 GLU N N 122.433 0.3 1 877 183 183 ILE H H 9.085 0.020 1 878 183 183 ILE C C 173.070 0.3 1 879 183 183 ILE CA C 59.053 0.3 1 880 183 183 ILE CB C 41.666 0.3 1 881 183 183 ILE N N 125.011 0.3 1 882 184 184 SER H H 7.883 0.020 1 883 184 184 SER C C 174.363 0.3 1 884 184 184 SER CA C 55.107 0.3 1 885 184 184 SER CB C 66.265 0.3 1 886 184 184 SER N N 117.120 0.3 1 887 185 185 ILE H H 8.378 0.020 1 888 185 185 ILE C C 174.708 0.3 1 889 185 185 ILE CA C 59.044 0.3 1 890 185 185 ILE CB C 39.221 0.3 1 891 185 185 ILE N N 115.011 0.3 1 892 186 186 TYR H H 7.772 0.020 1 893 186 186 TYR C C 174.109 0.3 1 894 186 186 TYR CA C 57.932 0.3 1 895 186 186 TYR CB C 40.778 0.3 1 896 186 186 TYR N N 119.246 0.3 1 897 187 187 ASN H H 7.255 0.020 1 898 187 187 ASN C C 173.994 0.3 1 899 187 187 ASN CA C 53.797 0.3 1 900 187 187 ASN CB C 37.566 0.3 1 901 187 187 ASN N N 121.730 0.3 1 902 188 188 LYS H H 6.453 0.020 1 903 188 188 LYS C C 175.583 0.3 1 904 188 188 LYS CA C 54.038 0.3 1 905 188 188 LYS CB C 34.806 0.3 1 906 188 188 LYS N N 116.803 0.3 1 907 189 189 GLY H H 8.352 0.020 1 908 189 189 GLY C C 172.377 0.3 1 909 189 189 GLY CA C 46.220 0.3 1 910 189 189 GLY N N 107.776 0.3 1 911 190 190 LEU H H 7.867 0.020 1 912 190 190 LEU C C 176.812 0.3 1 913 190 190 LEU CA C 52.762 0.3 1 914 190 190 LEU CB C 45.600 0.3 1 915 190 190 LEU N N 123.214 0.3 1 916 191 191 MET H H 9.752 0.020 1 917 191 191 MET C C 179.606 0.3 1 918 191 191 MET CA C 52.529 0.3 1 919 191 191 MET CB C 30.350 0.3 1 920 191 191 MET N N 120.558 0.3 1 921 192 192 ALA H H 8.607 0.020 1 922 192 192 ALA C C 179.167 0.3 1 923 192 192 ALA CA C 55.172 0.3 1 924 192 192 ALA CB C 18.091 0.3 1 925 192 192 ALA N N 121.392 0.3 1 926 193 193 TRP H H 6.344 0.020 1 927 193 193 TRP C C 176.996 0.3 1 928 193 193 TRP CA C 61.181 0.3 1 929 193 193 TRP CB C 26.370 0.3 1 930 193 193 TRP N N 110.402 0.3 1 931 194 194 THR H H 6.399 0.020 1 932 194 194 THR C C 176.152 0.3 1 933 194 194 THR CA C 64.292 0.3 1 934 194 194 THR CB C 66.665 0.3 1 935 194 194 THR N N 126.503 0.3 1 936 195 195 VAL H H 7.365 0.020 1 937 195 195 VAL C C 177.782 0.3 1 938 195 195 VAL CA C 67.464 0.3 1 939 195 195 VAL CB C 31.179 0.3 1 940 195 195 VAL N N 121.600 0.3 1 941 196 196 CYS H H 8.252 0.020 1 942 196 196 CYS C C 176.280 0.3 1 943 196 196 CYS CA C 64.725 0.3 1 944 196 196 CYS CB C 26.449 0.3 1 945 196 196 CYS N N 114.855 0.3 1 946 197 197 GLY H H 8.299 0.020 1 947 197 197 GLY C C 175.771 0.3 1 948 197 197 GLY CA C 47.196 0.3 1 949 197 197 GLY N N 108.761 0.3 1 950 198 198 ILE H H 8.480 0.020 1 951 198 198 ILE C C 178.197 0.3 1 952 198 198 ILE CA C 65.807 0.3 1 953 198 198 ILE CB C 36.945 0.3 1 954 198 198 ILE N N 124.492 0.3 1 955 199 199 ILE H H 8.111 0.020 1 956 199 199 ILE C C 177.108 0.3 1 957 199 199 ILE CA C 65.672 0.3 1 958 199 199 ILE CB C 42.074 0.3 1 959 199 199 ILE N N 122.511 0.3 1 960 200 200 CYS H H 8.162 0.020 1 961 200 200 CYS C C 177.615 0.3 1 962 200 200 CYS CA C 65.484 0.3 1 963 200 200 CYS CB C 26.442 0.3 1 964 200 200 CYS N N 115.221 0.3 1 965 201 201 TYR H H 8.537 0.020 1 966 201 201 TYR C C 176.016 0.3 1 967 201 201 TYR CA C 61.423 0.3 1 968 201 201 TYR CB C 38.166 0.3 1 969 201 201 TYR N N 124.563 0.3 1 970 202 202 SER H H 8.158 0.020 1 971 202 202 SER C C 175.121 0.3 1 972 202 202 SER CA C 60.723 0.3 1 973 202 202 SER CB C 62.322 0.3 1 974 202 202 SER N N 116.652 0.3 1 975 203 203 LEU H H 7.522 0.020 1 976 203 203 LEU C C 177.953 0.3 1 977 203 203 LEU CA C 55.247 0.3 1 978 203 203 LEU CB C 41.981 0.3 1 979 203 203 LEU N N 115.167 0.3 1 980 204 204 SER H H 7.245 0.020 1 981 204 204 SER C C 171.754 0.3 1 982 204 204 SER CA C 61.667 0.3 1 983 204 204 SER CB C 64.871 0.3 1 984 204 204 SER N N 113.233 0.3 1 985 205 205 PHE H H 6.862 0.020 1 986 205 205 PHE C C 179.888 0.3 1 987 205 205 PHE CA C 58.742 0.3 1 988 205 205 PHE CB C 40.877 0.3 1 989 205 205 PHE N N 122.589 0.3 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'monomer 2' _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 THR C C 169.636 0.3 1 2 2 2 THR CA C 61.566 0.3 1 3 2 2 THR CB C 69.025 0.3 1 4 3 3 TYR H H 8.563 0.020 1 5 3 3 TYR C C 174.156 0.3 1 6 3 3 TYR CA C 56.754 0.3 1 7 3 3 TYR CB C 41.587 0.3 1 8 3 3 TYR N N 121.867 0.3 1 9 4 4 ASN H H 9.675 0.020 1 10 4 4 ASN C C 173.948 0.3 1 11 4 4 ASN CA C 52.126 0.3 1 12 4 4 ASN CB C 41.981 0.3 1 13 4 4 ASN N N 119.238 0.3 1 14 5 5 ILE H H 9.360 0.020 1 15 5 5 ILE C C 172.470 0.3 1 16 5 5 ILE CA C 60.036 0.3 1 17 5 5 ILE CB C 40.562 0.3 1 18 5 5 ILE N N 124.542 0.3 1 19 6 6 ILE H H 8.873 0.020 1 20 6 6 ILE C C 175.310 0.3 1 21 6 6 ILE CA C 59.234 0.3 1 22 6 6 ILE CB C 41.114 0.3 1 23 6 6 ILE N N 126.261 0.3 1 24 7 7 LEU H H 8.272 0.020 1 25 7 7 LEU C C 175.757 0.3 1 26 7 7 LEU CA C 53.287 0.3 1 27 7 7 LEU CB C 42.139 0.3 1 28 7 7 LEU N N 129.833 0.3 1 29 8 8 ALA H H 8.990 0.020 1 30 8 8 ALA C C 176.119 0.3 1 31 8 8 ALA CA C 50.996 0.3 1 32 8 8 ALA CB C 25.108 0.3 1 33 8 8 ALA N N 127.980 0.3 1 34 9 9 LYS H H 11.417 0.020 1 35 9 9 LYS C C 175.772 0.3 1 36 9 9 LYS CA C 55.037 0.3 1 37 9 9 LYS CB C 30.785 0.3 1 38 9 9 LYS N N 125.948 0.3 1 39 10 10 SER H H 9.917 0.020 1 40 10 10 SER C C 177.643 0.3 1 41 10 10 SER CA C 60.985 0.3 1 42 10 10 SER CB C 63.663 0.3 1 43 10 10 SER N N 109.699 0.3 1 44 11 11 ALA H H 8.417 0.020 1 45 11 11 ALA C C 177.320 0.3 1 46 11 11 ALA CA C 51.941 0.3 1 47 11 11 ALA CB C 18.328 0.3 1 48 11 11 ALA N N 130.401 0.3 1 49 12 12 LEU H H 8.624 0.020 1 50 12 12 LEU C C 172.394 0.3 1 51 12 12 LEU CA C 52.969 0.3 1 52 12 12 LEU CB C 44.977 0.3 1 53 12 12 LEU N N 126.536 0.3 1 54 13 13 GLU H H 9.077 0.020 1 55 13 13 GLU C C 175.564 0.3 1 56 13 13 GLU CA C 54.910 0.3 1 57 13 13 GLU CB C 36.541 0.3 1 58 13 13 GLU N N 123.214 0.3 1 59 14 14 LEU H H 8.464 0.020 1 60 14 14 LEU C C 177.643 0.3 1 61 14 14 LEU CA C 54.082 0.3 1 62 14 14 LEU CB C 41.508 0.3 1 63 14 14 LEU N N 121.183 0.3 1 64 15 15 ILE H H 7.772 0.020 1 65 15 15 ILE C C 174.387 0.3 1 66 15 15 ILE CA C 60.658 0.3 1 67 15 15 ILE CB C 38.354 0.3 1 68 15 15 ILE N N 120.710 0.3 1 69 16 16 PRO C C 177.179 0.3 1 70 16 16 PRO CA C 62.884 0.3 1 71 16 16 PRO CB C 32.591 0.3 1 72 17 17 GLU H H 8.703 0.020 1 73 17 17 GLU C C 178.313 0.3 1 74 17 17 GLU CA C 59.389 0.3 1 75 17 17 GLU CB C 28.893 0.3 1 76 17 17 GLU N N 124.583 0.3 1 77 18 18 GLU H H 9.383 0.020 1 78 18 18 GLU C C 177.089 0.3 1 79 18 18 GLU CA C 58.650 0.3 1 80 18 18 GLU CB C 29.043 0.3 1 81 18 18 GLU N N 115.089 0.3 1 82 19 19 ILE H H 7.310 0.020 1 83 19 19 ILE C C 176.211 0.3 1 84 19 19 ILE CA C 60.422 0.3 1 85 19 19 ILE CB C 38.433 0.3 1 86 19 19 ILE N N 109.230 0.3 1 87 20 20 LYS H H 7.349 0.020 1 88 20 20 LYS C C 177.389 0.3 1 89 20 20 LYS CA C 60.036 0.3 1 90 20 20 LYS CB C 32.204 0.3 1 91 20 20 LYS N N 123.527 0.3 1 92 21 21 ASN H H 8.409 0.020 1 93 21 21 ASN C C 175.634 0.3 1 94 21 21 ASN CA C 53.982 0.3 1 95 21 21 ASN CB C 37.093 0.3 1 96 21 21 ASN N N 114.074 0.3 1 97 22 22 LYS H H 7.710 0.020 1 98 22 22 LYS C C 175.888 0.3 1 99 22 22 LYS CA C 55.475 0.3 1 100 22 22 LYS CB C 33.308 0.3 1 101 22 22 LYS N N 117.738 0.3 1 102 23 23 ILE H H 7.035 0.020 1 103 23 23 ILE C C 175.195 0.3 1 104 23 23 ILE CA C 60.113 0.3 1 105 23 23 ILE CB C 38.512 0.3 1 106 23 23 ILE N N 119.855 0.3 1 107 24 24 ARG H H 8.496 0.020 1 108 24 24 ARG C C 176.096 0.3 1 109 24 24 ARG CA C 54.459 0.3 1 110 24 24 ARG CB C 30.785 0.3 1 111 24 24 ARG N N 127.589 0.3 1 112 25 25 LYS H H 8.480 0.020 1 113 25 25 LYS C C 175.934 0.3 1 114 25 25 LYS CA C 57.189 0.3 1 115 25 25 LYS CB C 32.598 0.3 1 116 25 25 LYS N N 124.620 0.3 1 117 26 26 SER H H 8.244 0.020 1 118 26 26 SER C C 174.548 0.3 1 119 26 26 SER CA C 56.119 0.3 1 120 26 26 SER CB C 65.398 0.3 1 121 26 26 SER N N 117.667 0.3 1 122 27 27 ARG H H 8.601 0.020 1 123 27 27 ARG C C 176.327 0.3 1 124 27 27 ARG CA C 57.441 0.3 1 125 27 27 ARG CB C 30.075 0.3 1 126 27 27 ARG N N 122.035 0.3 1 127 28 28 VAL H H 7.671 0.020 1 128 28 28 VAL C C 174.363 0.3 1 129 28 28 VAL CA C 63.094 0.3 1 130 28 28 VAL CB C 32.835 0.3 1 131 28 28 VAL N N 114.386 0.3 1 132 29 29 TYR H H 7.420 0.020 1 133 29 29 TYR C C 174.248 0.3 1 134 29 29 TYR CA C 58.276 0.3 1 135 29 29 TYR CB C 38.827 0.3 1 136 29 29 TYR N N 121.183 0.3 1 137 30 30 LYS H H 6.980 0.020 1 138 30 30 LYS C C 174.528 0.3 1 139 30 30 LYS CA C 54.884 0.3 1 140 30 30 LYS CB C 31.573 0.3 1 141 30 30 LYS N N 125.636 0.3 1 142 31 31 TYR H H 5.598 0.020 1 143 31 31 TYR C C 174.498 0.3 1 144 31 31 TYR CA C 57.329 0.3 1 145 31 31 TYR CB C 39.616 0.3 1 146 31 31 TYR N N 117.120 0.3 1 147 32 32 ASP H H 9.509 0.020 1 148 32 32 ASP C C 174.820 0.3 1 149 32 32 ASP CA C 53.030 0.3 1 150 32 32 ASP CB C 40.404 0.3 1 151 32 32 ASP N N 121.027 0.3 1 152 33 33 ILE H H 6.478 0.020 1 153 33 33 ILE C C 176.234 0.3 1 154 33 33 ILE CA C 58.285 0.3 1 155 33 33 ILE CB C 38.669 0.3 1 156 33 33 ILE N N 117.252 0.3 1 157 34 34 LEU H H 8.558 0.020 1 158 34 34 LEU C C 175.342 0.3 1 159 34 34 LEU CA C 55.071 0.3 1 160 34 34 LEU CB C 42.927 0.3 1 161 34 34 LEU N N 131.104 0.3 1 162 35 35 ASP H H 10.949 0.020 1 163 35 35 ASP C C 177.695 0.3 1 164 35 35 ASP CA C 53.455 0.3 1 165 35 35 ASP CB C 43.042 0.3 1 166 35 35 ASP N N 132.787 0.3 1 167 36 36 SER H H 10.451 0.020 1 168 36 36 SER C C 174.978 0.3 1 169 36 36 SER CA C 61.667 0.3 1 170 36 36 SER CB C 63.821 0.3 1 171 36 36 SER N N 125.167 0.3 1 172 37 37 ASN H H 9.226 0.020 1 173 37 37 ASN C C 175.357 0.3 1 174 37 37 ASN CA C 56.401 0.3 1 175 37 37 ASN CB C 38.748 0.3 1 176 37 37 ASN N N 119.855 0.3 1 177 38 38 TYR H H 7.442 0.020 1 178 38 38 TYR C C 177.643 0.3 1 179 38 38 TYR CA C 58.605 0.3 1 180 38 38 TYR CB C 39.537 0.3 1 181 38 38 TYR N N 114.824 0.3 1 182 39 39 HIS H H 8.417 0.020 1 183 39 39 HIS C C 175.865 0.3 1 184 39 39 HIS CA C 54.938 0.3 1 185 39 39 HIS CB C 33.072 0.3 1 186 39 39 HIS N N 118.448 0.3 1 187 40 40 TYR H H 7.527 0.020 1 188 40 40 TYR C C 177.584 0.3 1 189 40 40 TYR CA C 61.911 0.3 1 190 40 40 TYR CB C 36.777 0.3 1 191 40 40 TYR N N 119.381 0.3 1 192 41 41 LYS H H 8.079 0.020 1 193 41 41 LYS C C 178.675 0.3 1 194 41 41 LYS CA C 58.735 0.3 1 195 41 41 LYS CB C 31.219 0.3 1 196 41 41 LYS N N 120.011 0.3 1 197 42 42 ALA H H 7.537 0.020 1 198 42 42 ALA C C 177.712 0.3 1 199 42 42 ALA CA C 53.305 0.3 1 200 42 42 ALA CB C 19.589 0.3 1 201 42 42 ALA N N 120.870 0.3 1 202 43 43 MET H H 7.530 0.020 1 203 43 43 MET C C 175.495 0.3 1 204 43 43 MET CA C 56.344 0.3 1 205 43 43 MET CB C 33.860 0.3 1 206 43 43 MET N N 113.605 0.3 1 207 44 44 GLU H H 6.933 0.020 1 208 44 44 GLU C C 176.604 0.3 1 209 44 44 GLU CA C 59.832 0.3 1 210 44 44 GLU CB C 29.760 0.3 1 211 44 44 GLU N N 117.042 0.3 1 212 45 45 LYS H H 8.009 0.020 1 213 45 45 LYS C C 176.026 0.3 1 214 45 45 LYS CA C 54.319 0.3 1 215 45 45 LYS CB C 31.495 0.3 1 216 45 45 LYS N N 115.089 0.3 1 217 46 46 LEU H H 7.561 0.020 1 218 46 46 LEU C C 176.673 0.3 1 219 46 46 LEU CA C 54.211 0.3 1 220 46 46 LEU CB C 43.321 0.3 1 221 46 46 LEU N N 122.745 0.3 1 222 47 47 LYS H H 8.456 0.020 1 223 47 47 LYS C C 175.795 0.3 1 224 47 47 LYS CA C 56.880 0.3 1 225 47 47 LYS CB C 32.125 0.3 1 226 47 47 LYS N N 128.058 0.3 1 227 48 48 ASP H H 8.876 0.020 1 228 48 48 ASP C C 177.204 0.3 1 229 48 48 ASP CA C 55.332 0.3 1 230 48 48 ASP CB C 38.512 0.3 1 231 48 48 ASP N N 119.362 0.3 1 232 49 49 LYS H H 7.113 0.020 1 233 49 49 LYS C C 176.696 0.3 1 234 49 49 LYS CA C 60.169 0.3 1 235 49 49 LYS CB C 31.731 0.3 1 236 49 49 LYS N N 115.011 0.3 1 237 50 50 GLU H H 8.998 0.020 1 238 50 50 GLU C C 176.601 0.3 1 239 50 50 GLU CA C 58.200 0.3 1 240 50 50 GLU CB C 28.025 0.3 1 241 50 50 GLU N N 117.589 0.3 1 242 51 51 MET H H 7.852 0.020 1 243 51 51 MET C C 174.506 0.3 1 244 51 51 MET CA C 55.501 0.3 1 245 51 51 MET CB C 34.964 0.3 1 246 51 51 MET N N 115.480 0.3 1 247 52 52 ARG H H 6.893 0.020 1 248 52 52 ARG C C 176.373 0.3 1 249 52 52 ARG CA C 55.273 0.3 1 250 52 52 ARG CB C 35.902 0.3 1 251 52 52 ARG N N 115.963 0.3 1 252 53 53 GLY H H 10.508 0.020 1 253 53 53 GLY C C 174.702 0.3 1 254 53 53 GLY CA C 46.585 0.3 1 255 53 53 GLY N N 106.662 0.3 1 256 54 54 ARG H H 7.498 0.020 1 257 54 54 ARG C C 172.536 0.3 1 258 54 54 ARG CA C 51.521 0.3 1 259 54 54 ARG CB C 30.312 0.3 1 260 54 54 ARG N N 116.730 0.3 1 261 55 55 PRO C C 177.862 0.3 1 262 55 55 PRO CA C 65.100 0.3 1 263 55 55 PRO CB C 31.653 0.3 1 264 56 56 ASP H H 9.093 0.020 1 265 56 56 ASP C C 177.322 0.3 1 266 56 56 ASP CA C 56.451 0.3 1 267 56 56 ASP CB C 38.410 0.3 1 268 56 56 ASP N N 117.898 0.3 1 269 57 57 ILE H H 7.579 0.020 1 270 57 57 ILE C C 178.267 0.3 1 271 57 57 ILE CA C 65.091 0.3 1 272 57 57 ILE CB C 38.084 0.3 1 273 57 57 ILE N N 119.579 0.3 1 274 58 58 ILE H H 7.200 0.020 1 275 58 58 ILE C C 175.888 0.3 1 276 58 58 ILE CA C 62.700 0.3 1 277 58 58 ILE CB C 35.358 0.3 1 278 58 58 ILE N N 120.323 0.3 1 279 59 59 HIS H H 7.874 0.020 1 280 59 59 HIS C C 175.327 0.3 1 281 59 59 HIS CA C 59.260 0.3 1 282 59 59 HIS CB C 32.591 0.3 1 283 59 59 HIS N N 121.232 0.3 1 284 60 60 ILE H H 7.680 0.020 1 285 60 60 ILE C C 178.277 0.3 1 286 60 60 ILE CA C 63.200 0.3 1 287 60 60 ILE N N 114.167 0.3 1 288 61 61 SER H H 7.446 0.020 1 289 61 61 SER C C 175.771 0.3 1 290 61 61 SER CA C 64.191 0.3 1 291 61 61 SER N N 114.371 0.3 1 292 62 62 LEU H H 8.384 0.020 1 293 62 62 LEU C C 178.082 0.3 1 294 62 62 LEU CA C 57.525 0.3 1 295 62 62 LEU CB C 42.060 0.3 1 296 62 62 LEU N N 120.087 0.3 1 297 63 63 LEU H H 7.823 0.020 1 298 63 63 LEU C C 180.798 0.3 1 299 63 63 LEU CA C 57.932 0.3 1 300 63 63 LEU CB C 40.202 0.3 1 301 63 63 LEU N N 119.308 0.3 1 302 64 64 ASN H H 7.223 0.020 1 303 64 64 ASN C C 177.338 0.3 1 304 64 64 ASN CA C 55.172 0.3 1 305 64 64 ASN CB C 38.166 0.3 1 306 64 64 ASN N N 117.351 0.3 1 307 65 65 ILE H H 8.372 0.020 1 308 65 65 ILE C C 179.243 0.3 1 309 65 65 ILE CA C 65.394 0.3 1 310 65 65 ILE N N 120.192 0.3 1 311 66 66 LEU H H 8.896 0.020 1 312 66 66 LEU C C 177.584 0.3 1 313 66 66 LEU CA C 56.316 0.3 1 314 66 66 LEU CB C 40.853 0.3 1 315 66 66 LEU N N 116.234 0.3 1 316 67 67 ASP H H 6.847 0.020 1 317 67 67 ASP C C 173.996 0.3 1 318 67 67 ASP CA C 52.177 0.3 1 319 67 67 ASP CB C 42.533 0.3 1 320 67 67 ASP N N 114.321 0.3 1 321 68 68 SER H H 7.245 0.020 1 322 68 68 SER C C 174.641 0.3 1 323 68 68 SER CA C 57.188 0.3 1 324 68 68 SER CB C 63.269 0.3 1 325 68 68 SER N N 112.947 0.3 1 326 69 69 PRO C C 177.295 0.3 1 327 69 69 PRO CA C 66.850 0.3 1 328 69 69 PRO CB C 29.736 0.3 1 329 70 70 ILE H H 7.089 0.020 1 330 70 70 ILE C C 175.518 0.3 1 331 70 70 ILE CA C 61.735 0.3 1 332 70 70 ILE CB C 37.277 0.3 1 333 70 70 ILE N N 112.134 0.3 1 334 71 71 ASN H H 7.539 0.020 1 335 71 71 ASN C C 180.307 0.3 1 336 71 71 ASN CA C 57.014 0.3 1 337 71 71 ASN CB C 41.015 0.3 1 338 71 71 ASN N N 120.917 0.3 1 339 72 72 HIS H H 8.349 0.020 1 340 72 72 HIS C C 176.417 0.3 1 341 72 72 HIS CA C 59.581 0.3 1 342 72 72 HIS CB C 28.104 0.3 1 343 72 72 HIS N N 120.298 0.3 1 344 73 73 GLU H H 7.701 0.020 1 345 73 73 GLU C C 174.848 0.3 1 346 73 73 GLU CA C 56.015 0.3 1 347 73 73 GLU CB C 29.210 0.3 1 348 73 73 GLU N N 116.586 0.3 1 349 74 74 LYS H H 8.010 0.020 1 350 74 74 LYS C C 177.389 0.3 1 351 74 74 LYS CA C 56.855 0.3 1 352 74 74 LYS CB C 28.025 0.3 1 353 74 74 LYS N N 114.797 0.3 1 354 75 75 LYS H H 7.325 0.020 1 355 75 75 LYS C C 174.597 0.3 1 356 75 75 LYS CA C 55.818 0.3 1 357 75 75 LYS CB C 33.118 0.3 1 358 75 75 LYS N N 115.477 0.3 1 359 76 76 LEU H H 8.778 0.020 1 360 76 76 LEU C C 177.343 0.3 1 361 76 76 LEU CA C 53.026 0.3 1 362 76 76 LEU CB C 45.995 0.3 1 363 76 76 LEU N N 118.605 0.3 1 364 77 77 ASN H H 9.050 0.020 1 365 77 77 ASN C C 173.384 0.3 1 366 77 77 ASN CA C 52.345 0.3 1 367 77 77 ASN CB C 40.325 0.3 1 368 77 77 ASN N N 121.873 0.3 1 369 78 78 ILE H H 8.677 0.020 1 370 78 78 ILE C C 173.546 0.3 1 371 78 78 ILE CA C 61.465 0.3 1 372 78 78 ILE CB C 40.397 0.3 1 373 78 78 ILE N N 124.165 0.3 1 374 79 79 TYR H H 8.818 0.020 1 375 79 79 TYR C C 174.895 0.3 1 376 79 79 TYR CA C 55.661 0.3 1 377 79 79 TYR CB C 42.296 0.3 1 378 79 79 TYR N N 123.527 0.3 1 379 80 80 ILE H H 9.305 0.020 1 380 80 80 ILE C C 174.333 0.3 1 381 80 80 ILE CA C 58.923 0.3 1 382 80 80 ILE CB C 39.300 0.3 1 383 80 80 ILE N N 120.870 0.3 1 384 81 81 HIS H H 9.741 0.020 1 385 81 81 HIS C C 176.092 0.3 1 386 81 81 HIS CA C 55.004 0.3 1 387 81 81 HIS CB C 33.702 0.3 1 388 81 81 HIS N N 129.350 0.3 1 389 82 82 THR H H 9.367 0.020 1 390 82 82 THR C C 174.859 0.3 1 391 82 82 THR CA C 62.056 0.3 1 392 82 82 THR CB C 71.817 0.3 1 393 82 82 THR N N 121.183 0.3 1 394 83 83 TYR H H 8.520 0.020 1 395 83 83 TYR C C 174.915 0.3 1 396 83 83 TYR CA C 62.559 0.3 1 397 83 83 TYR CB C 39.300 0.3 1 398 83 83 TYR N N 119.227 0.3 1 399 84 84 ASP H H 8.182 0.020 1 400 84 84 ASP C C 173.914 0.3 1 401 84 84 ASP CA C 52.126 0.3 1 402 84 84 ASP CB C 38.512 0.3 1 403 84 84 ASP N N 112.277 0.3 1 404 85 85 ASP H H 7.797 0.020 1 405 85 85 ASP C C 174.472 0.3 1 406 85 85 ASP CA C 56.597 0.3 1 407 85 85 ASP CB C 37.802 0.3 1 408 85 85 ASP N N 114.152 0.3 1 409 86 86 LYS H H 7.605 0.020 1 410 86 86 LYS C C 175.513 0.3 1 411 86 86 LYS CA C 54.516 0.3 1 412 86 86 LYS CB C 33.072 0.3 1 413 86 86 LYS N N 114.371 0.3 1 414 87 87 VAL H H 9.171 0.020 1 415 87 87 VAL C C 174.664 0.3 1 416 87 87 VAL CA C 60.478 0.3 1 417 87 87 VAL CB C 34.727 0.3 1 418 87 87 VAL N N 119.230 0.3 1 419 88 88 LEU H H 9.744 0.020 1 420 88 88 LEU C C 175.351 0.3 1 421 88 88 LEU CA C 52.611 0.3 1 422 88 88 LEU CB C 42.533 0.3 1 423 88 88 LEU N N 127.589 0.3 1 424 89 89 LYS H H 9.030 0.020 1 425 89 89 LYS C C 175.865 0.3 1 426 89 89 LYS CA C 55.143 0.3 1 427 89 89 LYS CB C 33.545 0.3 1 428 89 89 LYS N N 125.167 0.3 1 429 90 90 ILE H H 7.907 0.020 1 430 90 90 ILE C C 174.317 0.3 1 431 90 90 ILE CA C 58.742 0.3 1 432 90 90 ILE CB C 37.644 0.3 1 433 90 90 ILE N N 127.198 0.3 1 434 91 91 ASN H H 8.653 0.020 1 435 91 91 ASN C C 175.264 0.3 1 436 91 91 ASN CA C 52.663 0.3 1 437 91 91 ASN CB C 39.221 0.3 1 438 91 91 ASN N N 128.292 0.3 1 439 92 92 PRO C C 177.133 0.3 1 440 92 92 PRO CA C 65.456 0.3 1 441 92 92 PRO CB C 33.695 0.3 1 442 93 93 GLU H H 8.857 0.020 1 443 93 93 GLU C C 175.865 0.3 1 444 93 93 GLU CA C 55.726 0.3 1 445 93 93 GLU CB C 28.735 0.3 1 446 93 93 GLU N N 114.620 0.3 1 447 94 94 THR H H 7.831 0.020 1 448 94 94 THR C C 173.576 0.3 1 449 94 94 THR CA C 65.942 0.3 1 450 94 94 THR CB C 68.861 0.3 1 451 94 94 THR N N 119.113 0.3 1 452 95 95 ARG H H 8.404 0.020 1 453 95 95 ARG C C 175.219 0.3 1 454 95 95 ARG CA C 53.783 0.3 1 455 95 95 ARG CB C 28.656 0.3 1 456 95 95 ARG N N 129.352 0.3 1 457 96 96 LEU H H 8.056 0.020 1 458 96 96 LEU C C 174.109 0.3 1 459 96 96 LEU CA C 51.597 0.3 1 460 96 96 LEU CB C 43.085 0.3 1 461 96 96 LEU N N 127.042 0.3 1 462 97 97 PRO C C 175.745 0.3 1 463 97 97 PRO CA C 63.065 0.3 1 464 97 97 PRO CB C 32.670 0.3 1 465 98 98 ARG H H 8.292 0.020 1 466 98 98 ARG C C 175.628 0.3 1 467 98 98 ARG CA C 58.224 0.3 1 468 98 98 ARG CB C 30.154 0.3 1 469 98 98 ARG N N 123.748 0.3 1 470 99 99 ASN H H 7.632 0.020 1 471 99 99 ASN C C 175.533 0.3 1 472 99 99 ASN CA C 52.857 0.3 1 473 99 99 ASN CB C 40.081 0.3 1 474 99 99 ASN N N 117.628 0.3 1 475 100 100 TYR H H 8.849 0.020 1 476 100 100 TYR C C 175.511 0.3 1 477 100 100 TYR CA C 60.321 0.3 1 478 100 100 TYR CB C 39.056 0.3 1 479 100 100 TYR N N 128.214 0.3 1 480 101 101 PHE H H 7.178 0.020 1 481 101 101 PHE C C 177.400 0.3 1 482 101 101 PHE CA C 58.975 0.3 1 483 101 101 PHE CB C 35.910 0.3 1 484 101 101 PHE N N 116.368 0.3 1 485 102 102 ARG H H 8.095 0.020 1 486 102 102 ARG C C 179.750 0.3 1 487 102 102 ARG CA C 58.775 0.3 1 488 102 102 ARG CB C 29.287 0.3 1 489 102 102 ARG N N 118.744 0.3 1 490 103 103 PHE H H 7.969 0.020 1 491 103 103 PHE C C 175.218 0.3 1 492 103 103 PHE CA C 60.956 0.3 1 493 103 103 PHE CB C 37.093 0.3 1 494 103 103 PHE N N 121.209 0.3 1 495 104 104 LEU H H 7.771 0.020 1 496 104 104 LEU C C 178.452 0.3 1 497 104 104 LEU CA C 57.292 0.3 1 498 104 104 LEU CB C 40.275 0.3 1 499 104 104 LEU N N 121.005 0.3 1 500 105 105 GLY H H 7.663 0.020 1 501 105 105 GLY C C 176.119 0.3 1 502 105 105 GLY CA C 47.232 0.3 1 503 105 105 GLY N N 104.855 0.3 1 504 106 106 VAL H H 7.349 0.020 1 505 106 106 VAL C C 178.452 0.3 1 506 106 106 VAL CA C 65.784 0.3 1 507 106 106 VAL CB C 31.652 0.3 1 508 106 106 VAL N N 120.870 0.3 1 509 107 107 MET H H 7.679 0.020 1 510 107 107 MET C C 177.551 0.3 1 511 107 107 MET CA C 55.946 0.3 1 512 107 107 MET CB C 31.652 0.3 1 513 107 107 MET N N 116.351 0.3 1 514 108 108 GLU H H 8.996 0.020 1 515 108 108 GLU C C 176.904 0.3 1 516 108 108 GLU CA C 59.944 0.3 1 517 108 108 GLU CB C 29.050 0.3 1 518 108 108 GLU N N 120.300 0.3 1 519 109 109 LYS H H 6.872 0.020 1 520 109 109 LYS C C 178.336 0.3 1 521 109 109 LYS CA C 59.749 0.3 1 522 109 109 LYS CB C 32.271 0.3 1 523 109 109 LYS N N 115.764 0.3 1 524 110 110 VAL H H 7.215 0.020 1 525 110 110 VAL C C 180.068 0.3 1 526 110 110 VAL CA C 65.794 0.3 1 527 110 110 VAL CB C 31.490 0.3 1 528 110 110 VAL N N 117.355 0.3 1 529 111 111 LEU H H 8.460 0.020 1 530 111 111 LEU C C 178.199 0.3 1 531 111 111 LEU CA C 57.694 0.3 1 532 111 111 LEU CB C 40.877 0.3 1 533 111 111 LEU N N 120.167 0.3 1 534 112 112 LYS H H 7.681 0.020 1 535 112 112 LYS C C 176.719 0.3 1 536 112 112 LYS CA C 57.332 0.3 1 537 112 112 LYS CB C 32.677 0.3 1 538 112 112 LYS N N 116.515 0.3 1 539 113 113 GLY H H 7.852 0.020 1 540 113 113 GLY C C 174.617 0.3 1 541 113 113 GLY CA C 45.150 0.3 1 542 113 113 GLY N N 106.574 0.3 1 543 114 114 GLU H H 8.017 0.020 1 544 114 114 GLU C C 176.924 0.3 1 545 114 114 GLU CA C 56.412 0.3 1 546 114 114 GLU CB C 29.050 0.3 1 547 114 114 GLU N N 121.027 0.3 1 548 115 115 ARG H H 8.542 0.020 1 549 115 115 ARG C C 175.511 0.3 1 550 115 115 ARG CA C 56.821 0.3 1 551 115 115 ARG CB C 29.674 0.3 1 552 115 115 ARG N N 126.339 0.3 1 553 116 116 ASN H H 8.778 0.020 1 554 116 116 ASN C C 175.172 0.3 1 555 116 116 ASN CA C 52.425 0.3 1 556 116 116 ASN CB C 40.719 0.3 1 557 116 116 ASN N N 124.542 0.3 1 558 117 117 HIS C C 174.518 0.3 1 559 117 117 HIS CA C 57.722 0.3 1 560 117 117 HIS CB C 28.649 0.3 1 561 118 118 LEU H H 8.244 0.020 1 562 118 118 LEU C C 175.010 0.3 1 563 118 118 LEU CA C 55.416 0.3 1 564 118 118 LEU CB C 42.210 0.3 1 565 118 118 LEU N N 118.683 0.3 1 566 119 119 ILE H H 7.263 0.020 1 567 119 119 ILE C C 173.440 0.3 1 568 119 119 ILE CA C 60.000 0.3 1 569 119 119 ILE CB C 40.010 0.3 1 570 119 119 ILE N N 118.761 0.3 1 571 120 120 LYS H H 7.887 0.020 1 572 120 120 LYS C C 174.987 0.3 1 573 120 120 LYS CA C 54.703 0.3 1 574 120 120 LYS CB C 34.727 0.3 1 575 120 120 LYS N N 125.596 0.3 1 576 121 121 MET H H 8.638 0.020 1 577 121 121 MET C C 174.872 0.3 1 578 121 121 MET CA C 54.499 0.3 1 579 121 121 MET CB C 36.304 0.3 1 580 121 121 MET N N 125.521 0.3 1 581 122 122 GLU H H 9.218 0.020 1 582 122 122 GLU C C 173.740 0.3 1 583 122 122 GLU CA C 54.095 0.3 1 584 122 122 GLU CB C 32.520 0.3 1 585 122 122 GLU N N 124.308 0.3 1 586 123 123 GLU H H 8.543 0.020 1 587 123 123 GLU C C 175.102 0.3 1 588 123 123 GLU CA C 56.101 0.3 1 589 123 123 GLU CB C 28.814 0.3 1 590 123 123 GLU N N 122.042 0.3 1 591 124 124 LYS H H 8.048 0.020 1 592 124 124 LYS C C 173.578 0.3 1 593 124 124 LYS CA C 55.143 0.3 1 594 124 124 LYS CB C 36.068 0.3 1 595 124 124 LYS N N 126.339 0.3 1 596 125 125 THR H H 7.836 0.020 1 597 125 125 THR C C 174.502 0.3 1 598 125 125 THR CA C 60.394 0.3 1 599 125 125 THR CB C 70.977 0.3 1 600 125 125 THR N N 109.542 0.3 1 601 126 126 LEU H H 8.536 0.020 1 602 126 126 LEU C C 177.712 0.3 1 603 126 126 LEU CA C 57.494 0.3 1 604 126 126 LEU CB C 40.700 0.3 1 605 126 126 LEU N N 122.276 0.3 1 606 127 127 GLU H H 9.320 0.020 1 607 127 127 GLU C C 176.996 0.3 1 608 127 127 GLU CA C 62.025 0.3 1 609 127 127 GLU CB C 27.316 0.3 1 610 127 127 GLU N N 116.105 0.3 1 611 128 128 ASP H H 7.228 0.020 1 612 128 128 ASP C C 179.283 0.3 1 613 128 128 ASP CA C 56.754 0.3 1 614 128 128 ASP CB C 39.608 0.3 1 615 128 128 ASP N N 115.376 0.3 1 616 129 129 LEU H H 8.244 0.020 1 617 129 129 LEU C C 176.996 0.3 1 618 129 129 LEU CA C 57.913 0.3 1 619 129 129 LEU CB C 40.798 0.3 1 620 129 129 LEU N N 123.450 0.3 1 621 130 130 LEU H H 7.758 0.020 1 622 130 130 LEU C C 177.712 0.3 1 623 130 130 LEU CA C 57.441 0.3 1 624 130 130 LEU CB C 40.483 0.3 1 625 130 130 LEU N N 116.994 0.3 1 626 131 131 ASN H H 7.247 0.020 1 627 131 131 ASN C C 178.474 0.3 1 628 131 131 ASN CA C 54.741 0.3 1 629 131 131 ASN CB C 36.777 0.3 1 630 131 131 ASN N N 115.946 0.3 1 631 132 132 GLU H H 8.394 0.020 1 632 132 132 GLU C C 178.036 0.3 1 633 132 132 GLU CA C 59.027 0.3 1 634 132 132 GLU CB C 28.893 0.3 1 635 132 132 GLU N N 124.698 0.3 1 636 133 133 ILE H H 7.671 0.020 1 637 133 133 ILE C C 175.079 0.3 1 638 133 133 ILE CA C 60.872 0.3 1 639 133 133 ILE CB C 36.646 0.3 1 640 133 133 ILE N N 110.246 0.3 1 641 134 134 ASN H H 7.731 0.020 1 642 134 134 ASN C C 173.760 0.3 1 643 134 134 ASN CA C 53.448 0.3 1 644 134 134 ASN CB C 36.729 0.3 1 645 134 134 ASN N N 118.029 0.3 1 646 135 135 ALA H H 7.592 0.020 1 647 135 135 ALA C C 177.323 0.3 1 648 135 135 ALA CA C 52.865 0.3 1 649 135 135 ALA CB C 19.668 0.3 1 650 135 135 ALA N N 120.665 0.3 1 651 136 136 LYS H H 9.124 0.020 1 652 136 136 LYS C C 176.558 0.3 1 653 136 136 LYS CA C 57.551 0.3 1 654 136 136 LYS CB C 34.727 0.3 1 655 136 136 LYS N N 124.620 0.3 1 656 137 137 LYS H H 10.074 0.020 1 657 137 137 LYS C C 173.809 0.3 1 658 137 137 LYS CA C 55.816 0.3 1 659 137 137 LYS CB C 33.308 0.3 1 660 137 137 LYS N N 127.198 0.3 1 661 138 138 ILE H H 8.665 0.020 1 662 138 138 ILE C C 173.324 0.3 1 663 138 138 ILE CA C 60.153 0.3 1 664 138 138 ILE CB C 40.168 0.3 1 665 138 138 ILE N N 125.854 0.3 1 666 139 139 ALA H H 8.658 0.020 1 667 139 139 ALA C C 176.073 0.3 1 668 139 139 ALA CA C 49.314 0.3 1 669 139 139 ALA CB C 19.195 0.3 1 670 139 139 ALA N N 131.184 0.3 1 671 140 140 ILE H H 8.771 0.020 1 672 140 140 ILE C C 174.825 0.3 1 673 140 140 ILE CA C 60.243 0.3 1 674 140 140 ILE CB C 38.512 0.3 1 675 140 140 ILE N N 122.666 0.3 1 676 141 141 MET H H 8.486 0.020 1 677 141 141 MET C C 175.726 0.3 1 678 141 141 MET CA C 52.321 0.3 1 679 141 141 MET CB C 27.552 0.3 1 680 141 141 MET N N 125.747 0.3 1 681 142 142 THR H H 8.874 0.020 1 682 142 142 THR C C 174.074 0.3 1 683 142 142 THR CA C 59.100 0.3 1 684 142 142 THR CB C 69.971 0.3 1 685 142 142 THR N N 119.857 0.3 1 686 143 143 LYS H H 8.566 0.020 1 687 143 143 LYS C C 176.858 0.3 1 688 143 143 LYS CA C 58.328 0.3 1 689 143 143 LYS CB C 32.520 0.3 1 690 143 143 LYS N N 124.308 0.3 1 691 144 144 THR H H 7.537 0.020 1 692 144 144 THR C C 174.756 0.3 1 693 144 144 THR CA C 61.011 0.3 1 694 144 144 THR CB C 68.315 0.3 1 695 144 144 THR N N 107.042 0.3 1 696 145 145 GLY H H 7.522 0.020 1 697 145 145 GLY C C 171.407 0.3 1 698 145 145 GLY CA C 43.729 0.3 1 699 145 145 GLY N N 108.996 0.3 1 700 146 146 LYS H H 7.679 0.020 1 701 146 146 LYS C C 177.897 0.3 1 702 146 146 LYS CA C 56.464 0.3 1 703 146 146 LYS CB C 32.598 0.3 1 704 146 146 LYS N N 121.027 0.3 1 705 147 147 LEU H H 8.726 0.020 1 706 147 147 LEU C C 176.881 0.3 1 707 147 147 LEU CA C 56.385 0.3 1 708 147 147 LEU CB C 40.798 0.3 1 709 147 147 LEU N N 133.726 0.3 1 710 148 148 THR H H 8.901 0.020 1 711 148 148 THR C C 171.900 0.3 1 712 148 148 THR CA C 61.735 0.3 1 713 148 148 THR CB C 72.092 0.3 1 714 148 148 THR N N 126.029 0.3 1 715 149 149 HIS H H 8.493 0.020 1 716 149 149 HIS C C 174.687 0.3 1 717 149 149 HIS CA C 55.466 0.3 1 718 149 149 HIS CB C 31.245 0.3 1 719 149 149 HIS N N 127.442 0.3 1 720 150 150 PRO C C 177.596 0.3 1 721 150 150 PRO CA C 65.240 0.3 1 722 150 150 PRO CB C 31.487 0.3 1 723 151 151 LYS H H 10.679 0.020 1 724 151 151 LYS C C 178.261 0.3 1 725 151 151 LYS CA C 59.053 0.3 1 726 151 151 LYS CB C 31.409 0.3 1 727 151 151 LYS N N 122.042 0.3 1 728 152 152 LEU H H 8.095 0.020 1 729 152 152 LEU C C 178.552 0.3 1 730 152 152 LEU CA C 55.345 0.3 1 731 152 152 LEU CB C 40.719 0.3 1 732 152 152 LEU N N 118.839 0.3 1 733 153 153 LEU H H 7.842 0.020 1 734 153 153 LEU C C 176.812 0.3 1 735 153 153 LEU CA C 57.326 0.3 1 736 153 153 LEU CB C 39.450 0.3 1 737 153 153 LEU N N 118.577 0.3 1 738 154 154 LYS H H 7.195 0.020 1 739 154 154 LYS C C 176.234 0.3 1 740 154 154 LYS CA C 58.004 0.3 1 741 154 154 LYS CB C 32.047 0.3 1 742 154 154 LYS N N 112.511 0.3 1 743 155 155 GLU H H 7.430 0.020 1 744 155 155 GLU C C 175.426 0.3 1 745 155 155 GLU CA C 56.754 0.3 1 746 155 155 GLU CB C 28.814 0.3 1 747 155 155 GLU N N 117.062 0.3 1 748 156 156 TYR H H 7.853 0.020 1 749 156 156 TYR C C 173.569 0.3 1 750 156 156 TYR CA C 57.909 0.3 1 751 156 156 TYR CB C 38.275 0.3 1 752 156 156 TYR N N 120.647 0.3 1 753 157 157 ASP H H 8.456 0.020 1 754 157 157 ASP C C 175.542 0.3 1 755 157 157 ASP CA C 53.826 0.3 1 756 157 157 ASP CB C 43.006 0.3 1 757 157 157 ASP N N 113.292 0.3 1 758 158 158 THR H H 7.406 0.020 1 759 158 158 THR C C 170.530 0.3 1 760 158 158 THR CA C 62.166 0.3 1 761 158 158 THR CB C 72.176 0.3 1 762 158 158 THR N N 117.074 0.3 1 763 159 159 PHE H H 8.708 0.020 1 764 159 159 PHE C C 174.063 0.3 1 765 159 159 PHE CA C 55.946 0.3 1 766 159 159 PHE CB C 42.612 0.3 1 767 159 159 PHE N N 124.744 0.3 1 768 160 160 ILE H H 9.069 0.020 1 769 160 160 ILE C C 173.486 0.3 1 770 160 160 ILE CA C 60.140 0.3 1 771 160 160 ILE CB C 38.985 0.3 1 772 160 160 ILE N N 121.583 0.3 1 773 161 161 ILE H H 8.896 0.020 1 774 161 161 ILE C C 175.703 0.3 1 775 161 161 ILE CA C 60.187 0.3 1 776 161 161 ILE CB C 41.902 0.3 1 777 161 161 ILE N N 128.136 0.3 1 778 162 162 GLY H H 9.250 0.020 1 779 162 162 GLY C C 173.647 0.3 1 780 162 162 GLY CA C 46.248 0.3 1 781 162 162 GLY N N 115.089 0.3 1 782 163 163 GLY H H 9.462 0.020 1 783 163 163 GLY C C 172.631 0.3 1 784 163 163 GLY CA C 45.621 0.3 1 785 163 163 GLY N N 118.683 0.3 1 786 164 164 PHE H H 7.027 0.020 1 787 164 164 PHE C C 173.878 0.3 1 788 164 164 PHE CA C 52.913 0.3 1 789 164 164 PHE CB C 38.748 0.3 1 790 164 164 PHE N N 115.558 0.3 1 791 165 165 PRO C C 174.888 0.3 1 792 165 165 PRO CA C 65.287 0.3 1 793 165 165 PRO CB C 31.645 0.3 1 794 166 166 TYR H H 7.263 0.020 1 795 166 166 TYR C C 173.162 0.3 1 796 166 166 TYR CA C 57.047 0.3 1 797 166 166 TYR CB C 40.483 0.3 1 798 166 166 TYR N N 115.558 0.3 1 799 167 167 GLY H H 7.859 0.020 1 800 167 167 GLY C C 171.938 0.3 1 801 167 167 GLY CA C 43.895 0.3 1 802 167 167 GLY N N 108.761 0.3 1 803 168 168 LYS H H 7.819 0.020 1 804 168 168 LYS C C 174.918 0.3 1 805 168 168 LYS CA C 54.938 0.3 1 806 168 168 LYS CB C 34.570 0.3 1 807 168 168 LYS N N 119.028 0.3 1 808 169 169 LEU H H 8.543 0.020 1 809 169 169 LEU C C 174.848 0.3 1 810 169 169 LEU CA C 54.185 0.3 1 811 169 169 LEU CB C 43.164 0.3 1 812 169 169 LEU N N 125.480 0.3 1 813 170 170 LYS H H 8.386 0.020 1 814 170 170 LYS C C 174.294 0.3 1 815 170 170 LYS CA C 55.325 0.3 1 816 170 170 LYS CB C 32.914 0.3 1 817 170 170 LYS N N 127.120 0.3 1 818 171 171 ILE H H 8.103 0.020 1 819 171 171 ILE C C 173.832 0.3 1 820 171 171 ILE CA C 59.053 0.3 1 821 171 171 ILE CB C 40.562 0.3 1 822 171 171 ILE N N 123.370 0.3 1 823 172 172 ASN H H 9.854 0.020 1 824 172 172 ASN C C 175.219 0.3 1 825 172 172 ASN CA C 51.402 0.3 1 826 172 172 ASN CB C 36.541 0.3 1 827 172 172 ASN N N 126.964 0.3 1 828 173 173 LYS H H 8.111 0.020 1 829 173 173 LYS C C 177.297 0.3 1 830 173 173 LYS CA C 59.286 0.3 1 831 173 173 LYS CB C 32.047 0.3 1 832 173 173 LYS N N 124.151 0.3 1 833 174 174 GLU H H 8.315 0.020 1 834 174 174 GLU C C 176.973 0.3 1 835 174 174 GLU CA C 57.919 0.3 1 836 174 174 GLU CB C 28.104 0.3 1 837 174 174 GLU N N 116.652 0.3 1 838 175 175 LYS H H 7.208 0.020 1 839 175 175 LYS C C 174.987 0.3 1 840 175 175 LYS CA C 54.994 0.3 1 841 175 175 LYS CB C 32.993 0.3 1 842 175 175 LYS N N 116.027 0.3 1 843 176 176 VAL H H 7.019 0.020 1 844 176 176 VAL C C 175.218 0.3 1 845 176 176 VAL CA C 61.378 0.3 1 846 176 176 VAL CB C 33.353 0.3 1 847 176 176 VAL N N 120.480 0.3 1 848 177 177 PHE H H 8.723 0.020 1 849 177 177 PHE C C 177.966 0.3 1 850 177 177 PHE CA C 58.017 0.3 1 851 177 177 PHE CB C 37.881 0.3 1 852 177 177 PHE N N 126.808 0.3 1 853 178 178 GLY H H 8.315 0.020 1 854 178 178 GLY C C 170.091 0.3 1 855 178 178 GLY CA C 44.274 0.3 1 856 178 178 GLY N N 107.746 0.3 1 857 179 179 ASP H H 8.017 0.020 1 858 179 179 ASP C C 174.779 0.3 1 859 179 179 ASP CA C 53.363 0.3 1 860 179 179 ASP CB C 42.683 0.3 1 861 179 179 ASP N N 118.605 0.3 1 862 180 180 ILE H H 8.359 0.020 1 863 180 180 ILE C C 175.264 0.3 1 864 180 180 ILE CA C 60.523 0.3 1 865 180 180 ILE CB C 40.002 0.3 1 866 180 180 ILE N N 124.622 0.3 1 867 181 181 LYS H H 8.771 0.020 1 868 181 181 LYS C C 174.456 0.3 1 869 181 181 LYS CA C 53.965 0.3 1 870 181 181 LYS CB C 35.595 0.3 1 871 181 181 LYS N N 128.058 0.3 1 872 182 182 GLU H H 8.244 0.020 1 873 182 182 GLU C C 176.003 0.3 1 874 182 182 GLU CA C 55.558 0.3 1 875 182 182 GLU CB C 29.366 0.3 1 876 182 182 GLU N N 122.433 0.3 1 877 183 183 ILE H H 9.085 0.020 1 878 183 183 ILE C C 173.070 0.3 1 879 183 183 ILE CA C 59.053 0.3 1 880 183 183 ILE CB C 41.666 0.3 1 881 183 183 ILE N N 125.011 0.3 1 882 184 184 SER H H 7.892 0.020 1 883 184 184 SER C C 174.363 0.3 1 884 184 184 SER CA C 55.107 0.3 1 885 184 184 SER CB C 66.265 0.3 1 886 184 184 SER N N 117.364 0.3 1 887 185 185 ILE H H 8.381 0.020 1 888 185 185 ILE C C 174.597 0.3 1 889 185 185 ILE CA C 59.044 0.3 1 890 185 185 ILE CB C 39.221 0.3 1 891 185 185 ILE N N 115.158 0.3 1 892 186 186 TYR H H 7.743 0.020 1 893 186 186 TYR C C 174.074 0.3 1 894 186 186 TYR CA C 57.831 0.3 1 895 186 186 TYR CB C 40.771 0.3 1 896 186 186 TYR N N 118.986 0.3 1 897 187 187 ASN H H 7.373 0.020 1 898 187 187 ASN C C 174.055 0.3 1 899 187 187 ASN CA C 53.927 0.3 1 900 187 187 ASN CB C 37.566 0.3 1 901 187 187 ASN N N 122.433 0.3 1 902 188 188 LYS H H 6.393 0.020 1 903 188 188 LYS C C 175.703 0.3 1 904 188 188 LYS CA C 54.235 0.3 1 905 188 188 LYS CB C 34.727 0.3 1 906 188 188 LYS N N 116.690 0.3 1 907 189 189 GLY H H 8.272 0.020 1 908 189 189 GLY C C 172.354 0.3 1 909 189 189 GLY CA C 46.119 0.3 1 910 189 189 GLY N N 107.620 0.3 1 911 190 190 LEU H H 7.841 0.020 1 912 190 190 LEU C C 176.812 0.3 1 913 190 190 LEU CA C 52.762 0.3 1 914 190 190 LEU CB C 45.600 0.3 1 915 190 190 LEU N N 123.210 0.3 1 916 191 191 MET H H 9.919 0.020 1 917 191 191 MET C C 179.228 0.3 1 918 191 191 MET CA C 52.576 0.3 1 919 191 191 MET CB C 30.350 0.3 1 920 191 191 MET N N 120.919 0.3 1 921 192 192 ALA H H 8.511 0.020 1 922 192 192 ALA C C 179.216 0.3 1 923 192 192 ALA CA C 54.882 0.3 1 924 192 192 ALA CB C 18.300 0.3 1 925 192 192 ALA N N 120.870 0.3 1 926 193 193 TRP H H 6.297 0.020 1 927 193 193 TRP C C 176.996 0.3 1 928 193 193 TRP CA C 60.956 0.3 1 929 193 193 TRP CB C 26.384 0.3 1 930 193 193 TRP N N 110.558 0.3 1 931 194 194 THR H H 6.304 0.020 1 932 194 194 THR C C 176.152 0.3 1 933 194 194 THR CA C 64.101 0.3 1 934 194 194 THR CB C 66.344 0.3 1 935 194 194 THR N N 126.183 0.3 1 936 195 195 VAL H H 7.379 0.020 1 937 195 195 VAL C C 176.996 0.3 1 938 195 195 VAL CA C 67.475 0.3 1 939 195 195 VAL CB C 31.001 0.3 1 940 195 195 VAL N N 121.761 0.3 1 941 196 196 CYS H H 8.320 0.020 1 942 196 196 CYS C C 176.350 0.3 1 943 196 196 CYS CA C 64.866 0.3 1 944 196 196 CYS CB C 26.212 0.3 1 945 196 196 CYS N N 114.569 0.3 1 946 197 197 GLY H H 7.854 0.020 1 947 197 197 GLY C C 171.269 0.3 1 948 197 197 GLY CA C 46.724 0.3 1 949 197 197 GLY N N 106.225 0.3 1 950 198 198 ILE H H 8.125 0.020 1 951 198 198 ILE C C 177.579 0.3 1 952 198 198 ILE CA C 66.345 0.3 1 953 198 198 ILE CB C 37.723 0.3 1 954 198 198 ILE N N 119.776 0.3 1 955 199 199 ILE H H 7.880 0.020 1 956 199 199 ILE C C 177.043 0.3 1 957 199 199 ILE CA C 65.201 0.3 1 958 199 199 ILE CB C 37.644 0.3 1 959 199 199 ILE N N 117.814 0.3 1 960 200 200 CYS H H 7.383 0.020 1 961 200 200 CYS C C 178.544 0.3 1 962 200 200 CYS CA C 64.725 0.3 1 963 200 200 CYS CB C 25.810 0.3 1 964 200 200 CYS N N 114.280 0.3 1 965 201 201 TYR H H 8.756 0.020 1 966 201 201 TYR C C 177.528 0.3 1 967 201 201 TYR CA C 57.561 0.3 1 968 201 201 TYR CB C 34.806 0.3 1 969 201 201 TYR N N 122.554 0.3 1 970 202 202 SER H H 7.993 0.020 1 971 202 202 SER C C 175.978 0.3 1 972 202 202 SER CA C 61.125 0.3 1 973 202 202 SER CB C 62.323 0.3 1 974 202 202 SER N N 116.730 0.3 1 975 203 203 LEU H H 7.082 0.020 1 976 203 203 LEU C C 177.781 0.3 1 977 203 203 LEU CA C 55.501 0.3 1 978 203 203 LEU CB C 41.508 0.3 1 979 203 203 LEU N N 117.433 0.3 1 980 204 204 SER H H 7.206 0.020 1 981 204 204 SER C C 172.133 0.3 1 982 204 204 SER CA C 60.826 0.3 1 983 204 204 SER CB C 64.545 0.3 1 984 204 204 SER N N 112.736 0.3 1 985 205 205 PHE H H 7.168 0.020 1 986 205 205 PHE C C 179.873 0.3 1 987 205 205 PHE CA C 58.587 0.3 1 988 205 205 PHE CB C 41.192 0.3 1 989 205 205 PHE N N 124.151 0.3 1 stop_ save_