data_19425 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; X-ray crystallography-solution NMR hybrid structure of mouse RyR2 domain A. ; _BMRB_accession_number 19425 _BMRB_flat_file_name bmr19425.str _Entry_type original _Submission_date 2013-08-13 _Accession_date 2013-08-13 _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 Amador Fernando . . 2 Stathopulos Peter . . 3 Seabrook Genevieve . . 4 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 185 "13C chemical shifts" 541 "15N chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-09 update BMRB 'update entry citation' 2013-09-10 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19424 'delta exon 3 RyR2A backbone chemical shift assignments' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Type 2 Ryanodine Receptor Domain A Contains a Unique and Dynamic -Helix That Transitions to a -Strand in a Mutant Linked with a Heritable Cardiomyopathy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23978697 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Amador Fernando J. . 2 Kimlicka Lynn . . 3 Stathopulos Peter B. . 4 Gasmi-Seabrook Genevieve M.C. . 5 Maclennan David H. . 6 'Van Petegem' Filip . . 7 Ikura Mitsuhiko . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 425 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4034 _Page_last 4046 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'mouse RyR2 domain A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mouse RyR2 domain A' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 23049.213 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 219 _Mol_residue_sequence ; GSGSEIQFLRTDDEVVLQCT ATIHKEQQKLCLAAEGFGNR LCFLESTSNSKNVPPDLSIC TFVLEQSLSVRALQEMLANT VEKSEGQVDVEKWKFMMKTA QGGGHRTLLYGHAILLRHSY SGMYLCCLSTSRSSTDKLAF DVGLQEDTTGEACWWTIHPA SKQRSEGEKVRVGDDLILVS VSSERYLHLSYGNSSWHVDA AFQQTLWSVAPISSGSEAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 6 GLY 2 7 SER 3 8 GLY 4 9 SER 5 10 GLU 6 11 ILE 7 12 GLN 8 13 PHE 9 14 LEU 10 15 ARG 11 16 THR 12 17 ASP 13 18 ASP 14 19 GLU 15 20 VAL 16 21 VAL 17 22 LEU 18 23 GLN 19 24 CYS 20 25 THR 21 26 ALA 22 27 THR 23 28 ILE 24 29 HIS 25 30 LYS 26 31 GLU 27 32 GLN 28 33 GLN 29 34 LYS 30 35 LEU 31 36 CYS 32 37 LEU 33 38 ALA 34 39 ALA 35 40 GLU 36 41 GLY 37 42 PHE 38 43 GLY 39 44 ASN 40 45 ARG 41 46 LEU 42 47 CYS 43 48 PHE 44 49 LEU 45 50 GLU 46 51 SER 47 52 THR 48 53 SER 49 54 ASN 50 55 SER 51 56 LYS 52 57 ASN 53 58 VAL 54 59 PRO 55 60 PRO 56 61 ASP 57 62 LEU 58 63 SER 59 64 ILE 60 65 CYS 61 66 THR 62 67 PHE 63 68 VAL 64 69 LEU 65 70 GLU 66 71 GLN 67 72 SER 68 73 LEU 69 74 SER 70 75 VAL 71 76 ARG 72 77 ALA 73 78 LEU 74 79 GLN 75 80 GLU 76 81 MET 77 82 LEU 78 83 ALA 79 84 ASN 80 85 THR 81 86 VAL 82 87 GLU 83 88 LYS 84 89 SER 85 90 GLU 86 91 GLY 87 92 GLN 88 93 VAL 89 94 ASP 90 95 VAL 91 96 GLU 92 97 LYS 93 98 TRP 94 99 LYS 95 100 PHE 96 101 MET 97 102 MET 98 103 LYS 99 104 THR 100 105 ALA 101 106 GLN 102 107 GLY 103 108 GLY 104 109 GLY 105 110 HIS 106 111 ARG 107 112 THR 108 113 LEU 109 114 LEU 110 115 TYR 111 116 GLY 112 117 HIS 113 118 ALA 114 119 ILE 115 120 LEU 116 121 LEU 117 122 ARG 118 123 HIS 119 124 SER 120 125 TYR 121 126 SER 122 127 GLY 123 128 MET 124 129 TYR 125 130 LEU 126 131 CYS 127 132 CYS 128 133 LEU 129 134 SER 130 135 THR 131 136 SER 132 137 ARG 133 138 SER 134 139 SER 135 140 THR 136 141 ASP 137 142 LYS 138 143 LEU 139 144 ALA 140 145 PHE 141 146 ASP 142 147 VAL 143 148 GLY 144 149 LEU 145 150 GLN 146 151 GLU 147 152 ASP 148 153 THR 149 154 THR 150 155 GLY 151 156 GLU 152 157 ALA 153 158 CYS 154 159 TRP 155 160 TRP 156 161 THR 157 162 ILE 158 163 HIS 159 164 PRO 160 165 ALA 161 166 SER 162 167 LYS 163 168 GLN 164 169 ARG 165 170 SER 166 171 GLU 167 172 GLY 168 173 GLU 169 174 LYS 170 175 VAL 171 176 ARG 172 177 VAL 173 178 GLY 174 179 ASP 175 180 ASP 176 181 LEU 177 182 ILE 178 183 LEU 179 184 VAL 180 185 SER 181 186 VAL 182 187 SER 183 188 SER 184 189 GLU 185 190 ARG 186 191 TYR 187 192 LEU 188 193 HIS 189 194 LEU 190 195 SER 191 196 TYR 192 197 GLY 193 198 ASN 194 199 SER 195 200 SER 196 201 TRP 197 202 HIS 198 203 VAL 199 204 ASP 200 205 ALA 201 206 ALA 202 207 PHE 203 208 GLN 204 209 GLN 205 210 THR 206 211 LEU 207 212 TRP 208 213 SER 209 214 VAL 210 215 ALA 211 216 PRO 212 217 ILE 213 218 SER 214 219 SER 215 220 GLY 216 221 SER 217 222 GLU 218 223 ALA 219 224 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2MC2 "X-ray Crystallography-solution Nmr Hybrid Structure Of Mouse Ryr2 Domain A" 100.00 219 100.00 100.00 1.31e-159 PDB 3IM5 "Crystal Structure Of Mouse Ryanodine Receptor 2 (Residues 1-217)" 94.98 217 100.00 100.00 6.15e-152 PDB 3IM6 "Crystal Structure Of Mouse Ryanodine Receptor 2 Mutant V186m" 94.98 217 99.52 100.00 1.66e-151 PDB 3IM7 "Crystal Structure Of Mouse Ryanodine Receptor 2 N-Terminal Domain (1-217) Disease Mutant A77v" 94.98 217 99.52 99.52 2.63e-151 PDB 4JKQ "Crystal Structure Of The N-terminal Region Of The Human Ryanodine Receptor 2" 98.17 606 99.07 99.07 2.48e-149 PDB 4KEI "Crystal Structure Of Mouse Ryanodine Receptor 2 (1-217) Disease Mutant P164s" 94.98 217 99.52 99.52 9.37e-151 PDB 4KEJ "Crystal Structure Of Mouse Ryanodine Receptor 2 (1-217) Disease Mutant R169q" 94.98 217 99.52 100.00 3.46e-151 PDB 4KEK "Crystal Structure Of Mouse Ryanodine Receptor 2 (1-217) Disease Mutant R176q" 94.98 217 99.52 100.00 3.46e-151 PDB 4L4H "Crystal Structure Of Mouse Ryanodine Receptor Isoform 2 (ryr2) 1-547" 98.17 547 100.00 100.00 2.54e-152 PDB 4L4I "Crystal Structure Of Mouse Ryanodine Receptor Isoform 2 (ryr2) 1-547 Disease Mutant R420q" 98.17 547 100.00 100.00 2.89e-152 EMBL CAA66975 "ryanodine receptor 2 [Homo sapiens]" 98.17 4967 99.07 99.07 6.11e-139 EMBL CAC18855 "ryanodine receptor 2 [Homo sapiens]" 98.17 4967 99.07 99.07 6.11e-139 GB AAA31179 "Ca2+ release channel [Oryctolagus cuniculus]" 98.17 4969 98.60 98.60 5.02e-138 GB AAA93465 "cardiac ryanodine receptor [Oryctolagus cuniculus]" 98.17 4968 99.07 99.07 7.48e-139 GB AAG34081 "cardiac Ca2+ release channel [Mus musculus]" 98.17 4967 100.00 100.00 5.97e-141 GB AAI67757 "Ryr2 protein [Rattus norvegicus]" 98.17 915 99.07 99.07 2.02e-143 GB AAI72794 "cardiac muscle ryanodine receptor [synthetic construct]" 98.17 2519 99.07 99.07 1.21e-138 PRF 1617118A "ryanodine receptor" 98.17 4976 99.07 99.07 7.49e-139 REF NP_001026 "ryanodine receptor 2 [Homo sapiens]" 98.17 4967 99.07 99.07 6.47e-139 REF NP_001076226 "ryanodine receptor 2 [Oryctolagus cuniculus]" 98.17 4968 99.07 99.07 7.48e-139 REF NP_076357 "ryanodine receptor 2 [Mus musculus]" 98.17 4966 100.00 100.00 5.58e-141 REF XP_002808310 "PREDICTED: LOW QUALITY PROTEIN: ryanodine receptor 2-like [Macaca mulatta]" 94.98 4985 99.04 99.04 5.97e-134 REF XP_002923703 "PREDICTED: ryanodine receptor 2 [Ailuropoda melanoleuca]" 77.17 4932 98.22 98.82 2.53e-105 SP E9Q401 "RecName: Full=Ryanodine receptor 2; Short=RYR-2; Short=RyR2; AltName: Full=Cardiac muscle ryanodine receptor; AltName: Full=Car" 98.17 4966 100.00 100.00 5.58e-141 SP P30957 "RecName: Full=Ryanodine receptor 2; Short=RYR-2; Short=RyR2; AltName: Full=Cardiac muscle ryanodine receptor; AltName: Full=Car" 98.17 4969 98.60 98.60 5.02e-138 SP Q92736 "RecName: Full=Ryanodine receptor 2; Short=RYR-2; Short=RyR2; Short=hRYR-2; AltName: Full=Cardiac muscle ryanodine receptor; Alt" 98.17 4967 99.07 99.07 6.47e-139 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Mouse 10090 Eukaryota Metazoa Mus musculus 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 $entity 'recombinant technology' . Escherichia coli . pET-32a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'wild-type RyR2A 10-224' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.4 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' TCEP 2 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift calculation' 'data analysis' 'geometry optimization' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 0.328 . M pH 7 . pH pressure 1 . atm temperature 288 . 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 ; Reference offsets: CO: -0.09ppm CA: -0.39ppm CB: 0.44ppm N: -0.21ppm Number of of Deviant Assignments: 0 Num of Suspicious Assignments after ref-calibration when necessary: 1 189 LEU C: 170.18 ; loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'mouse RyR2 domain A' _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 11 6 ILE H H 8.077 0.04 1 2 11 6 ILE C C 176.317 0.40 1 3 11 6 ILE CA C 61.496 0.40 1 4 11 6 ILE CB C 37.763 0.40 1 5 11 6 ILE N N 123.119 0.40 1 6 12 7 GLN H H 8.194 0.04 1 7 12 7 GLN C C 175.259 0.40 1 8 12 7 GLN CA C 54.898 0.40 1 9 12 7 GLN CB C 30.151 0.40 1 10 12 7 GLN N N 124.944 0.40 1 11 13 8 PHE H H 8.209 0.04 1 12 13 8 PHE C C 174.608 0.40 1 13 13 8 PHE CA C 56.445 0.40 1 14 13 8 PHE CB C 41.65 0.40 1 15 13 8 PHE N N 122.001 0.40 1 16 14 9 LEU H H 8.264 0.04 1 17 14 9 LEU C C 175.63 0.40 1 18 14 9 LEU CA C 55.024 0.40 1 19 14 9 LEU CB C 43.987 0.40 1 20 14 9 LEU N N 122.475 0.40 1 21 15 10 ARG H H 8.653 0.04 1 22 15 10 ARG C C 175.63 0.40 1 23 15 10 ARG CA C 54.007 0.40 1 24 15 10 ARG CB C 34.536 0.40 1 25 15 10 ARG N N 121.51 0.40 1 26 16 11 THR H H 8.815 0.04 1 27 16 11 THR C C 175.946 0.40 1 28 16 11 THR CA C 62.95 0.40 1 29 16 11 THR CB C 69.276 0.40 1 30 16 11 THR N N 110.84 0.40 1 31 17 12 ASP H H 9.241 0.04 1 32 17 12 ASP C C 175.686 0.40 1 33 17 12 ASP CA C 57.735 0.40 1 34 17 12 ASP CB C 39.928 0.40 1 35 17 12 ASP N N 114.036 0.40 1 36 18 13 ASP H H 8.035 0.04 1 37 18 13 ASP C C 175.946 0.40 1 38 18 13 ASP CA C 56.214 0.40 1 39 18 13 ASP CB C 40.985 0.40 1 40 18 13 ASP N N 122.062 0.40 1 41 19 14 GLU H H 8.274 0.04 1 42 19 14 GLU C C 175.055 0.40 1 43 19 14 GLU CA C 55.262 0.40 1 44 19 14 GLU CB C 30.712 0.40 1 45 19 14 GLU N N 122.006 0.40 1 46 20 15 VAL H H 9.779 0.04 1 47 20 15 VAL C C 176.855 0.40 1 48 20 15 VAL CA C 59.054 0.40 1 49 20 15 VAL CB C 36.78 0.40 1 50 20 15 VAL N N 118.214 0.40 1 51 21 16 VAL H H 8.167 0.04 1 52 21 16 VAL C C 173.83 0.40 1 53 21 16 VAL CA C 60.308 0.40 1 54 21 16 VAL CB C 34.625 0.40 1 55 21 16 VAL N N 115.443 0.40 1 56 22 17 LEU H H 10.103 0.04 1 57 22 17 LEU C C 174.858 0.40 1 58 22 17 LEU CA C 55.656 0.40 1 59 22 17 LEU CB C 42.545 0.40 1 60 22 17 LEU N N 128.072 0.40 1 61 23 18 GLN H H 9.119 0.04 1 62 23 18 GLN C C 175.5 0.40 1 63 23 18 GLN CA C 53.71 0.40 1 64 23 18 GLN CB C 33.697 0.40 1 65 23 18 GLN N N 120.609 0.40 1 66 24 19 CYS H H 8.993 0.04 1 67 24 19 CYS C C 174.443 0.40 1 68 24 19 CYS CA C 55.261 0.40 1 69 24 19 CYS CB C 30.302 0.40 1 70 24 19 CYS N N 118.659 0.40 1 71 25 20 THR H H 8.48 0.04 1 72 25 20 THR C C 172.457 0.40 1 73 25 20 THR CA C 61.858 0.40 1 74 25 20 THR CB C 70.271 0.40 1 75 25 20 THR N N 116.266 0.40 1 76 26 21 ALA H H 8.59 0.04 1 77 26 21 ALA C C 172.717 0.40 1 78 26 21 ALA CA C 50.642 0.40 1 79 26 21 ALA CB C 21.315 0.40 1 80 26 21 ALA N N 129.739 0.40 1 81 27 22 THR H H 8.11 0.04 1 82 27 22 THR C C 173.181 0.40 1 83 27 22 THR CA C 61.919 0.40 1 84 27 22 THR CB C 69.696 0.40 1 85 27 22 THR N N 116.574 0.40 1 86 28 23 ILE H H 8.483 0.04 1 87 28 23 ILE C C 173.793 0.40 1 88 28 23 ILE CA C 60.407 0.40 1 89 28 23 ILE CB C 39.536 0.40 1 90 28 23 ILE N N 126.342 0.40 1 91 29 24 HIS H H 9.11 0.04 1 92 29 24 HIS C C 175.259 0.40 1 93 29 24 HIS CA C 57.174 0.40 1 94 29 24 HIS CB C 28.029 0.40 1 95 29 24 HIS N N 126.364 0.40 1 96 31 26 GLU H H 8.047 0.04 1 97 31 26 GLU C C 175.575 0.40 1 98 31 26 GLU CA C 55.394 0.40 1 99 31 26 GLU CB C 31.576 0.40 1 100 31 26 GLU N N 120.962 0.40 1 101 32 27 GLN H H 8.646 0.04 1 102 32 27 GLN C C 175.185 0.40 1 103 32 27 GLN CA C 54.496 0.40 1 104 32 27 GLN CB C 30.054 0.40 1 105 32 27 GLN N N 123.171 0.40 1 106 33 28 GLN H H 8.839 0.04 1 107 33 28 GLN C C 175.667 0.40 1 108 33 28 GLN CA C 54.616 0.40 1 109 33 28 GLN CB C 31.748 0.40 1 110 33 28 GLN N N 123.53 0.40 1 111 34 29 LYS H H 8.589 0.04 1 112 34 29 LYS C C 173.812 0.40 1 113 34 29 LYS CA C 55.755 0.40 1 114 34 29 LYS CB C 32.712 0.40 1 115 34 29 LYS N N 124.601 0.40 1 116 35 30 LEU H H 8.794 0.04 1 117 35 30 LEU C C 175.445 0.40 1 118 35 30 LEU CA C 53.347 0.40 1 119 35 30 LEU CB C 44.943 0.40 1 120 35 30 LEU N N 126.071 0.40 1 121 36 31 CYS H H 9.042 0.04 1 122 36 31 CYS C C 176.057 0.40 1 123 36 31 CYS CA C 57.174 0.40 1 124 36 31 CYS CB C 30.306 0.40 1 125 36 31 CYS N N 118.373 0.40 1 126 37 32 LEU H H 8.811 0.04 1 127 37 32 LEU C C 174.09 0.40 1 128 37 32 LEU CA C 56.349 0.40 1 129 37 32 LEU CB C 42.689 0.40 1 130 37 32 LEU N N 129.256 0.40 1 131 38 33 ALA H H 8.879 0.04 1 132 38 33 ALA C C 174.517 0.40 1 133 38 33 ALA CA C 50.609 0.40 1 134 38 33 ALA CB C 24.141 0.40 1 135 38 33 ALA N N 127.229 0.40 1 136 39 34 ALA H H 6.837 0.04 1 137 39 34 ALA C C 174.665 0.40 1 138 39 34 ALA CA C 51.5 0.40 1 139 39 34 ALA CB C 20.996 0.40 1 140 39 34 ALA N N 117.076 0.40 1 141 40 35 GLU H H 8.413 0.04 1 142 40 35 GLU C C 176.205 0.40 1 143 40 35 GLU CA C 55.95 0.40 1 144 40 35 GLU CB C 31.836 0.40 1 145 40 35 GLU N N 119.966 0.40 1 146 41 36 GLY H H 8.463 0.04 1 147 41 36 GLY C C 176.892 0.40 1 148 41 36 GLY CA C 45.628 0.40 1 149 41 36 GLY N N 108.646 0.40 1 150 43 38 GLY H H 8.51 0.04 1 151 43 38 GLY C C 176.465 0.40 1 152 43 38 GLY CA C 45.397 0.40 1 153 43 38 GLY N N 109.557 0.40 1 154 44 39 ASN H H 8.028 0.04 1 155 44 39 ASN C C 173.83 0.40 1 156 44 39 ASN CA C 54.184 0.40 1 157 44 39 ASN CB C 38.252 0.40 1 158 44 39 ASN N N 116.85 0.40 1 159 45 40 ARG H H 7.759 0.04 1 160 45 40 ARG C C 174.072 0.40 1 161 45 40 ARG CA C 56.077 0.40 1 162 45 40 ARG CB C 31.231 0.40 1 163 45 40 ARG N N 118.226 0.40 1 164 46 41 LEU H H 8.695 0.04 1 165 46 41 LEU C C 176.447 0.40 1 166 46 41 LEU CA C 54.667 0.40 1 167 46 41 LEU CB C 42.605 0.40 1 168 46 41 LEU N N 124.643 0.40 1 169 47 42 CYS H H 9.007 0.04 1 170 47 42 CYS C C 176.651 0.40 1 171 47 42 CYS CA C 55.885 0.40 1 172 47 42 CYS CB C 31.112 0.40 1 173 47 42 CYS N N 119.241 0.40 1 174 48 43 PHE H H 8.647 0.04 1 175 48 43 PHE C C 170.342 0.40 1 176 48 43 PHE CA C 57.405 0.40 1 177 48 43 PHE CB C 43.263 0.40 1 178 48 43 PHE N N 114.081 0.40 1 179 49 44 LEU H H 9.108 0.04 1 180 49 44 LEU C C 176.236 0.40 1 181 49 44 LEU CA C 53.285 0.40 1 182 49 44 LEU CB C 42.907 0.40 1 183 49 44 LEU N N 122.287 0.40 1 184 50 45 GLU H H 8.834 0.04 1 185 50 45 GLU C C 177.671 0.40 1 186 50 45 GLU CA C 57.084 0.40 1 187 50 45 GLU CB C 30.123 0.40 1 188 50 45 GLU N N 123.206 0.40 1 189 51 46 SER H H 8.461 0.04 1 190 51 46 SER C C 176.706 0.40 1 191 51 46 SER CA C 58.56 0.40 1 192 51 46 SER CB C 63.979 0.40 1 193 51 46 SER N N 118.5 0.40 1 194 52 47 THR H H 8.199 0.04 1 195 52 47 THR C C 174.808 0.40 1 196 52 47 THR CA C 61.891 0.40 1 197 52 47 THR CB C 70.076 0.40 1 198 52 47 THR N N 116.205 0.40 1 199 65 60 CYS H H 7.539 0.04 1 200 65 60 CYS C C 176.948 0.40 1 201 65 60 CYS CA C 57.9 0.40 1 202 65 60 CYS CB C 30.29 0.40 1 203 65 60 CYS N N 117.553 0.40 1 204 66 61 THR H H 6.851 0.04 1 205 66 61 THR C C 180.325 0.40 1 206 66 61 THR CA C 63.399 0.40 1 207 66 61 THR CB C 69.281 0.40 1 208 66 61 THR N N 113.614 0.40 1 209 67 62 PHE H H 9.603 0.04 1 210 67 62 PHE C C 174.424 0.40 1 211 67 62 PHE CA C 56.184 0.40 1 212 67 62 PHE CB C 43.291 0.40 1 213 67 62 PHE N N 126.248 0.40 1 214 68 63 VAL H H 9.968 0.04 1 215 68 63 VAL C C 173.719 0.40 1 216 68 63 VAL CA C 60.935 0.40 1 217 68 63 VAL CB C 34.522 0.40 1 218 68 63 VAL N N 121.31 0.40 1 219 69 64 LEU H H 8.135 0.04 1 220 69 64 LEU C C 177.152 0.40 1 221 69 64 LEU CA C 53.083 0.40 1 222 69 64 LEU CB C 39.652 0.40 1 223 69 64 LEU N N 127.011 0.40 1 224 70 65 GLU H H 8.654 0.04 1 225 70 65 GLU C C 174.869 0.40 1 226 70 65 GLU CA C 59.747 0.40 1 227 70 65 GLU CB C 31.291 0.40 1 228 70 65 GLU N N 129.683 0.40 1 229 71 66 GLN H H 7.318 0.04 1 230 71 66 GLN C C 176.094 0.40 1 231 71 66 GLN CA C 54.03 0.40 1 232 71 66 GLN CB C 33.112 0.40 1 233 71 66 GLN N N 110.287 0.40 1 234 72 67 SER H H 8.38 0.04 1 235 72 67 SER C C 174.035 0.40 1 236 72 67 SER CA C 58.132 0.40 1 237 72 67 SER CB C 64.295 0.40 1 238 72 67 SER N N 116.205 0.40 1 239 73 68 LEU H H 9.532 0.04 1 240 73 68 LEU C C 173.701 0.40 1 241 73 68 LEU CA C 53.347 0.40 1 242 73 68 LEU CB C 45.926 0.40 1 243 73 68 LEU N N 127.858 0.40 1 244 74 69 SER H H 8.24 0.04 1 245 74 69 SER C C 177.541 0.40 1 246 74 69 SER CA C 57.905 0.40 1 247 74 69 SER CB C 63.901 0.40 1 248 74 69 SER N N 115.724 0.40 1 249 75 70 VAL H H 9.056 0.04 1 250 75 70 VAL C C 174.61 0.40 1 251 75 70 VAL CA C 67.104 0.40 1 252 75 70 VAL CB C 30.953 0.40 1 253 75 70 VAL N N 122.994 0.40 1 254 76 71 ARG H H 8.137 0.04 1 255 76 71 ARG C C 178.228 0.40 1 256 76 71 ARG CA C 59.087 0.40 1 257 76 71 ARG CB C 29.28 0.40 1 258 76 71 ARG N N 119.193 0.40 1 259 77 72 ALA H H 7.699 0.04 1 260 77 72 ALA C C 178.506 0.40 1 261 77 72 ALA CA C 54.926 0.40 1 262 77 72 ALA CB C 18.231 0.40 1 263 77 72 ALA N N 122.977 0.40 1 264 78 73 LEU H H 8.303 0.04 1 265 78 73 LEU C C 180.64 0.40 1 266 78 73 LEU CA C 57.985 0.40 1 267 78 73 LEU CB C 40.522 0.40 1 268 78 73 LEU N N 121.115 0.40 1 269 79 74 GLN H H 8.39 0.04 1 270 79 74 GLN C C 177.875 0.40 1 271 79 74 GLN CA C 59.069 0.40 1 272 79 74 GLN CB C 27.254 0.40 1 273 79 74 GLN N N 116.873 0.40 1 274 80 75 GLU H H 7.942 0.04 1 275 80 75 GLU C C 179.749 0.40 1 276 80 75 GLU CA C 59.413 0.40 1 277 80 75 GLU CB C 29.142 0.40 1 278 80 75 GLU N N 120.455 0.40 1 279 81 76 MET H H 7.87 0.04 1 280 81 76 MET C C 178.599 0.40 1 281 81 76 MET CA C 59.665 0.40 1 282 81 76 MET CB C 32.534 0.40 1 283 81 76 MET N N 120.541 0.40 1 284 82 77 LEU H H 8.488 0.04 1 285 82 77 LEU C C 179.638 0.40 1 286 82 77 LEU CA C 57.669 0.40 1 287 82 77 LEU CB C 40.783 0.40 1 288 82 77 LEU N N 119.662 0.40 1 289 83 78 ALA H H 7.704 0.04 1 290 83 78 ALA C C 179.323 0.40 1 291 83 78 ALA CA C 54.073 0.40 1 292 83 78 ALA CB C 18.326 0.40 1 293 83 78 ALA N N 120.827 0.40 1 294 84 79 ASN H H 7.729 0.04 1 295 84 79 ASN C C 178.944 0.40 1 296 84 79 ASN CA C 54.167 0.40 1 297 84 79 ASN CB C 39.465 0.40 1 298 84 79 ASN N N 115.853 0.40 1 299 85 80 THR H H 7.698 0.04 1 300 85 80 THR C C 175.569 0.40 1 301 85 80 THR CA C 63.086 0.40 1 302 85 80 THR CB C 70.071 0.40 1 303 85 80 THR N N 112.611 0.40 1 304 86 81 VAL H H 7.874 0.04 1 305 86 81 VAL C C 174.573 0.40 1 306 86 81 VAL CA C 62.811 0.40 1 307 86 81 VAL CB C 32.73 0.40 1 308 86 81 VAL N N 121.812 0.40 1 309 87 82 GLU H H 8.403 0.04 1 310 87 82 GLU C C 176.28 0.40 1 311 87 82 GLU CA C 56.877 0.40 1 312 87 82 GLU CB C 29.852 0.40 1 313 87 82 GLU N N 124.33 0.40 1 314 88 83 LYS H H 8.33 0.04 1 315 88 83 LYS C C 176.966 0.40 1 316 88 83 LYS CA C 56.799 0.40 1 317 88 83 LYS CB C 32.597 0.40 1 318 88 83 LYS N N 122.065 0.40 1 319 89 84 SER H H 8.247 0.04 1 320 89 84 SER C C 176.865 0.40 1 321 89 84 SER CA C 59.008 0.40 1 322 89 84 SER CB C 63.765 0.40 1 323 89 84 SER N N 116.192 0.40 1 324 90 85 GLU H H 8.56 0.04 1 325 90 85 GLU C C 174.702 0.40 1 326 90 85 GLU CA C 57.231 0.40 1 327 90 85 GLU CB C 29.442 0.40 1 328 90 85 GLU N N 122.006 0.40 1 329 91 86 GLY H H 8.358 0.04 1 330 91 86 GLY C C 177.17 0.40 1 331 91 86 GLY CA C 45.634 0.40 1 332 91 86 GLY N N 110.052 0.40 1 333 92 87 GLN H H 8.075 0.04 1 334 92 87 GLN C C 173.905 0.40 1 335 92 87 GLN CA C 55.261 0.40 1 336 92 87 GLN CB C 29.573 0.40 1 337 92 87 GLN N N 120.053 0.40 1 338 93 88 VAL H H 8.37 0.04 1 339 93 88 VAL C C 175.667 0.40 1 340 93 88 VAL CA C 62.914 0.40 1 341 93 88 VAL CB C 32.629 0.40 1 342 93 88 VAL N N 123.434 0.40 1 343 94 89 ASP H H 8.55 0.04 1 344 94 89 ASP C C 175.704 0.40 1 345 94 89 ASP CA C 53.743 0.40 1 346 94 89 ASP CB C 40.771 0.40 1 347 94 89 ASP N N 125.761 0.40 1 348 95 90 VAL H H 8.3 0.04 1 349 95 90 VAL C C 176.465 0.40 1 350 95 90 VAL CA C 65.487 0.40 1 351 95 90 VAL CB C 31.773 0.40 1 352 95 90 VAL N N 125.064 0.40 1 353 96 91 GLU H H 8.297 0.04 1 354 96 91 GLU C C 177.523 0.40 1 355 96 91 GLU CA C 59.157 0.40 1 356 96 91 GLU CB C 28.575 0.40 1 357 96 91 GLU N N 120.88 0.40 1 358 97 92 LYS H H 7.979 0.04 1 359 97 92 LYS C C 179.434 0.40 1 360 97 92 LYS CA C 59.186 0.40 1 361 97 92 LYS CB C 32.036 0.40 1 362 97 92 LYS N N 121.943 0.40 1 363 98 93 TRP H H 8.202 0.04 1 364 98 93 TRP C C 178.673 0.40 1 365 98 93 TRP CA C 60.176 0.40 1 366 98 93 TRP CB C 29.34 0.40 1 367 98 93 TRP N N 121.42 0.40 1 368 99 94 LYS H H 8.346 0.04 1 369 99 94 LYS C C 177.374 0.40 1 370 99 94 LYS CA C 59.812 0.40 1 371 99 94 LYS CB C 32.042 0.40 1 372 99 94 LYS N N 118.236 0.40 1 373 100 95 PHE H H 7.916 0.04 1 374 100 95 PHE C C 179.193 0.40 1 375 100 95 PHE CA C 60.902 0.40 1 376 100 95 PHE CB C 38.875 0.40 1 377 100 95 PHE N N 120.365 0.40 1 378 101 96 MET H H 8.393 0.04 1 379 101 96 MET C C 178.172 0.40 1 380 101 96 MET CA C 58.625 0.40 1 381 101 96 MET CB C 32.081 0.40 1 382 101 96 MET N N 121.837 0.40 1 383 102 97 MET H H 8.174 0.04 1 384 102 97 MET C C 178.655 0.40 1 385 102 97 MET CA C 57.867 0.40 1 386 102 97 MET CB C 32.414 0.40 1 387 102 97 MET N N 119.901 0.40 1 388 103 98 LYS H H 7.899 0.04 1 389 103 98 LYS C C 177.857 0.40 1 390 103 98 LYS CA C 58.592 0.40 1 391 103 98 LYS CB C 31.816 0.40 1 392 103 98 LYS N N 120.555 0.40 1 393 104 99 THR H H 7.895 0.04 1 394 104 99 THR C C 179.267 0.40 1 395 104 99 THR CA C 64.914 0.40 1 396 104 99 THR CB C 69.103 0.40 1 397 104 99 THR N N 115.45 0.40 1 398 105 100 ALA H H 7.896 0.04 1 399 105 100 ALA C C 176.057 0.40 1 400 105 100 ALA CA C 54.106 0.40 1 401 105 100 ALA CB C 18.493 0.40 1 402 105 100 ALA N N 124.862 0.40 1 403 106 101 GLN H H 7.944 0.04 1 404 106 101 GLN C C 178.655 0.40 1 405 106 101 GLN CA C 56.913 0.40 1 406 106 101 GLN CB C 29.148 0.40 1 407 106 101 GLN N N 117.285 0.40 1 408 107 102 GLY H H 7.852 0.04 1 409 107 102 GLY C C 177.597 0.40 1 410 107 102 GLY CA C 45.975 0.40 1 411 107 102 GLY N N 107.494 0.40 1 412 108 103 GLY H H 8.313 0.04 1 413 108 103 GLY C C 174.74 0.40 1 414 108 103 GLY CA C 45.151 0.40 1 415 108 103 GLY N N 109.642 0.40 1 416 109 104 GLY H H 8.059 0.04 1 417 109 104 GLY C C 174.313 0.40 1 418 109 104 GLY CA C 44.659 0.40 1 419 109 104 GLY N N 108.058 0.40 1 420 110 105 HIS H H 8.261 0.04 1 421 110 105 HIS C C 173.348 0.40 1 422 110 105 HIS CA C 55.59 0.40 1 423 110 105 HIS CB C 28.502 0.40 1 424 110 105 HIS N N 118.432 0.40 1 425 111 106 ARG H H 8.597 0.04 1 426 111 106 ARG C C 174.908 0.40 1 427 111 106 ARG CA C 55.233 0.40 1 428 111 106 ARG CB C 31.125 0.40 1 429 111 106 ARG N N 122.052 0.40 1 430 112 107 THR H H 8.577 0.04 1 431 112 107 THR C C 176.447 0.40 1 432 112 107 THR CA C 63.723 0.40 1 433 112 107 THR CB C 68.984 0.40 1 434 112 107 THR N N 120.248 0.40 1 435 113 108 LEU H H 8.515 0.04 1 436 113 108 LEU C C 174.294 0.40 1 437 113 108 LEU CA C 56.791 0.40 1 438 113 108 LEU CB C 41.705 0.40 1 439 113 108 LEU N N 130.382 0.40 1 440 114 109 LEU H H 6.454 0.04 1 441 114 109 LEU C C 175.278 0.40 1 442 114 109 LEU CA C 51.667 0.40 1 443 114 109 LEU CB C 42.454 0.40 1 444 114 109 LEU N N 118.829 0.40 1 445 115 110 TYR H H 8.797 0.04 1 446 115 110 TYR C C 177.152 0.40 1 447 115 110 TYR CA C 62.452 0.40 1 448 115 110 TYR CB C 38.058 0.40 1 449 115 110 TYR N N 119.059 0.40 1 450 116 111 GLY H H 9.672 0.04 1 451 116 111 GLY C C 178.061 0.40 1 452 116 111 GLY CA C 45.1 0.40 1 453 116 111 GLY N N 115.795 0.40 1 454 117 112 HIS H H 8.113 0.04 1 455 117 112 HIS C C 175.463 0.40 1 456 117 112 HIS CA C 56.119 0.40 1 457 117 112 HIS CB C 32.293 0.40 1 458 117 112 HIS N N 122.193 0.40 1 459 118 113 ALA H H 9.458 0.04 1 460 118 113 ALA C C 173.775 0.40 1 461 118 113 ALA CA C 50.378 0.40 1 462 118 113 ALA CB C 21.646 0.40 1 463 118 113 ALA N N 120.893 0.40 1 464 120 115 LEU H H 8.746 0.04 1 465 120 115 LEU C C 173.367 0.40 1 466 120 115 LEU CA C 56.217 0.40 1 467 120 115 LEU CB C 39.519 0.40 1 468 120 115 LEU N N 119.631 0.40 1 469 121 116 LEU H H 8.59 0.04 1 470 121 116 LEU C C 171.4 0.40 1 471 121 116 LEU CA C 52.852 0.40 1 472 121 116 LEU CB C 43.452 0.40 1 473 121 116 LEU N N 118.9 0.40 1 474 122 117 ARG H H 9.077 0.04 1 475 122 117 ARG C C 176.465 0.40 1 476 122 117 ARG CA C 54.403 0.40 1 477 122 117 ARG CB C 32.897 0.40 1 478 122 117 ARG N N 123.588 0.40 1 479 123 118 HIS H H 9.622 0.04 1 480 123 118 HIS C C 175.704 0.40 1 481 123 118 HIS CA C 56.637 0.40 1 482 123 118 HIS CB C 31.261 0.40 1 483 123 118 HIS N N 131.44 0.40 1 484 124 119 SER H H 7.84 0.04 1 485 124 119 SER C C 175.686 0.40 1 486 124 119 SER CA C 62.01 0.40 1 487 124 119 SER CB C 62.912 0.40 1 488 124 119 SER N N 127.024 0.40 1 489 125 120 TYR H H 8.746 0.04 1 490 125 120 TYR C C 180.696 0.40 1 491 125 120 TYR CA C 60.903 0.40 1 492 125 120 TYR CB C 38.744 0.40 1 493 125 120 TYR N N 119.708 0.40 1 494 126 121 SER H H 7.004 0.04 1 495 126 121 SER C C 176.543 0.40 1 496 126 121 SER CA C 59.366 0.40 1 497 126 121 SER CB C 65.282 0.40 1 498 126 121 SER N N 110.333 0.40 1 499 127 122 GLY H H 8.181 0.04 1 500 127 122 GLY C C 176.428 0.40 1 501 127 122 GLY CA C 46.064 0.40 1 502 127 122 GLY N N 113.322 0.40 1 503 128 123 MET H H 7.551 0.04 1 504 128 123 MET C C 173.2 0.40 1 505 128 123 MET CA C 55.429 0.40 1 506 128 123 MET CB C 35.988 0.40 1 507 128 123 MET N N 118.598 0.40 1 508 129 124 TYR H H 8.923 0.04 1 509 129 124 TYR C C 172.884 0.40 1 510 129 124 TYR CA C 58.658 0.40 1 511 129 124 TYR CB C 40.914 0.40 1 512 129 124 TYR N N 116.715 0.40 1 513 130 125 LEU H H 8.236 0.04 1 514 130 125 LEU C C 176.677 0.40 1 515 130 125 LEU CA C 56.311 0.40 1 516 130 125 LEU CB C 42.909 0.40 1 517 130 125 LEU N N 123.061 0.40 1 518 131 126 CYS H H 9.516 0.04 1 519 131 126 CYS C C 177.616 0.40 1 520 131 126 CYS CA C 57.028 0.40 1 521 131 126 CYS CB C 32.339 0.40 1 522 131 126 CYS N N 126.618 0.40 1 523 132 127 CYS H H 8.142 0.04 1 524 132 127 CYS C C 172.309 0.40 1 525 132 127 CYS CA C 59.436 0.40 1 526 132 127 CYS CB C 27.383 0.40 1 527 132 127 CYS N N 124.86 0.40 1 528 133 128 LEU H H 9.008 0.04 1 529 133 128 LEU C C 174.035 0.40 1 530 133 128 LEU CA C 54.799 0.40 1 531 133 128 LEU CB C 41.109 0.40 1 532 133 128 LEU N N 131.382 0.40 1 533 134 129 SER H H 8.229 0.04 1 534 134 129 SER C C 175.519 0.40 1 535 134 129 SER CA C 58.32 0.40 1 536 134 129 SER CB C 63.979 0.40 1 537 134 129 SER N N 112.103 0.40 1 538 135 130 THR H H 7.292 0.04 1 539 135 130 THR C C 174.535 0.40 1 540 135 130 THR CA C 60.703 0.40 1 541 135 130 THR CB C 70.624 0.40 1 542 135 130 THR N N 111.693 0.40 1 543 136 131 SER H H 8.544 0.04 1 544 136 131 SER C C 173.478 0.40 1 545 136 131 SER CA C 57.537 0.40 1 546 136 131 SER CB C 64.593 0.40 1 547 136 131 SER N N 117.26 0.40 1 548 137 132 ARG H H 9.231 0.04 1 549 137 132 ARG C C 175 0.40 1 550 137 132 ARG CA C 56.922 0.40 1 551 137 132 ARG CB C 30.733 0.40 1 552 137 132 ARG N N 124.804 0.40 1 553 138 133 SER H H 7.891 0.04 1 554 138 133 SER C C 175.871 0.40 1 555 138 133 SER CA C 61.891 0.40 1 556 138 133 SER CB C 62.73 0.40 1 557 138 133 SER N N 126.225 0.40 1 558 140 135 THR H H 8.168 0.04 1 559 140 135 THR C C 173.756 0.40 1 560 140 135 THR CA C 62.895 0.40 1 561 140 135 THR CB C 69.332 0.40 1 562 140 135 THR N N 114.799 0.40 1 563 141 136 ASP H H 8.049 0.04 1 564 141 136 ASP C C 174.795 0.40 1 565 141 136 ASP CA C 54.001 0.40 1 566 141 136 ASP CB C 40.914 0.40 1 567 141 136 ASP N N 121.772 0.40 1 568 142 137 LYS H H 8.376 0.04 1 569 142 137 LYS C C 176.274 0.40 1 570 142 137 LYS CA C 57.106 0.40 1 571 142 137 LYS CB C 31.369 0.40 1 572 142 137 LYS N N 121.585 0.40 1 573 143 138 LEU H H 8.262 0.04 1 574 143 138 LEU C C 176.798 0.40 1 575 143 138 LEU CA C 55.261 0.40 1 576 143 138 LEU CB C 41.487 0.40 1 577 143 138 LEU N N 119.604 0.40 1 578 144 139 ALA H H 7.614 0.04 1 579 144 139 ALA C C 176.41 0.40 1 580 144 139 ALA CA C 51.335 0.40 1 581 144 139 ALA CB C 20.924 0.40 1 582 144 139 ALA N N 123.881 0.40 1 583 145 140 PHE H H 8.647 0.04 1 584 145 140 PHE C C 176.948 0.40 1 585 145 140 PHE CA C 55.872 0.40 1 586 145 140 PHE CB C 42.468 0.40 1 587 145 140 PHE N N 120.083 0.40 1 588 146 141 ASP H H 8.692 0.04 1 589 146 141 ASP C C 175.519 0.40 1 590 146 141 ASP CA C 54.679 0.40 1 591 146 141 ASP CB C 42.169 0.40 1 592 146 141 ASP N N 119.893 0.40 1 593 147 142 VAL H H 8.224 0.04 1 594 147 142 VAL C C 174.053 0.40 1 595 147 142 VAL CA C 60.671 0.40 1 596 147 142 VAL CB C 35.326 0.40 1 597 147 142 VAL N N 118.8 0.40 1 598 148 143 GLY H H 8.594 0.04 1 599 148 143 GLY C C 175.141 0.40 1 600 148 143 GLY CA C 45.384 0.40 1 601 148 143 GLY N N 113.226 0.40 1 602 149 144 LEU H H 8.303 0.04 1 603 149 144 LEU C C 170.973 0.40 1 604 149 144 LEU CA C 53.299 0.40 1 605 149 144 LEU CB C 43.938 0.40 1 606 149 144 LEU N N 120.88 0.40 1 607 150 145 GLN H H 9.115 0.04 1 608 150 145 GLN C C 177.133 0.40 1 609 150 145 GLN CA C 54.723 0.40 1 610 150 145 GLN CB C 32.69 0.40 1 611 150 145 GLN N N 118.978 0.40 1 612 151 146 GLU H H 9.142 0.04 1 613 151 146 GLU C C 175.333 0.40 1 614 151 146 GLU CA C 59.14 0.40 1 615 151 146 GLU CB C 30.735 0.40 1 616 151 146 GLU N N 121.344 0.40 1 617 152 147 ASP H H 8.023 0.04 1 618 152 147 ASP C C 176.391 0.40 1 619 152 147 ASP CA C 54.139 0.40 1 620 152 147 ASP CB C 41.92 0.40 1 621 152 147 ASP N N 117.494 0.40 1 622 153 148 THR H H 7.985 0.04 1 623 153 148 THR C C 175.964 0.40 1 624 153 148 THR CA C 61.894 0.40 1 625 153 148 THR CB C 68.903 0.40 1 626 153 148 THR N N 111.969 0.40 1 627 154 149 THR H H 7.79 0.04 1 628 154 149 THR C C 175 0.40 1 629 154 149 THR CA C 62.359 0.40 1 630 154 149 THR CB C 69.21 0.40 1 631 154 149 THR N N 113.978 0.40 1 632 155 150 GLY H H 7.639 0.04 1 633 155 150 GLY C C 174.702 0.40 1 634 155 150 GLY CA C 44.737 0.40 1 635 155 150 GLY N N 108.411 0.40 1 636 156 151 GLU H H 8.606 0.04 1 637 156 151 GLU C C 173.571 0.40 1 638 156 151 GLU CA C 59.352 0.40 1 639 156 151 GLU CB C 31.248 0.40 1 640 156 151 GLU N N 118.666 0.40 1 641 157 152 ALA H H 8.159 0.04 1 642 157 152 ALA C C 177.727 0.40 1 643 157 152 ALA CA C 55.063 0.40 1 644 157 152 ALA CB C 18.856 0.40 1 645 157 152 ALA N N 118.664 0.40 1 646 158 153 CYS H H 7.973 0.04 1 647 158 153 CYS C C 179.972 0.40 1 648 158 153 CYS CA C 57.585 0.40 1 649 158 153 CYS CB C 27.977 0.40 1 650 158 153 CYS N N 114.681 0.40 1 651 165 160 ALA H H 8.19 0.04 1 652 165 160 ALA C C 176.743 0.40 1 653 165 160 ALA CA C 52.39 0.40 1 654 165 160 ALA CB C 20.486 0.40 1 655 165 160 ALA N N 122.416 0.40 1 656 166 161 SER H H 7.69 0.04 1 657 166 161 SER C C 176.876 0.40 1 658 166 161 SER CA C 56.863 0.40 1 659 166 161 SER CB C 65.738 0.40 1 660 166 161 SER N N 111.681 0.40 1 661 167 162 LYS H H 8.23 0.04 1 662 167 162 LYS C C 175.241 0.40 1 663 167 162 LYS CA C 55.297 0.40 1 664 167 162 LYS CB C 31.364 0.40 1 665 167 162 LYS N N 121.655 0.40 1 666 168 163 GLN H H 8.134 0.04 1 667 168 163 GLN C C 176.836 0.40 1 668 168 163 GLN CA C 57.366 0.40 1 669 168 163 GLN CB C 28.979 0.40 1 670 168 163 GLN N N 117.832 0.40 1 671 169 164 ARG H H 7.209 0.04 1 672 169 164 ARG C C 175.946 0.40 1 673 169 164 ARG CA C 52.885 0.40 1 674 169 164 ARG CB C 32.795 0.40 1 675 169 164 ARG N N 117.052 0.40 1 676 170 165 SER H H 8.279 0.04 1 677 170 165 SER C C 174.387 0.40 1 678 170 165 SER CA C 56.976 0.40 1 679 170 165 SER CB C 66.348 0.40 1 680 170 165 SER N N 114.335 0.40 1 681 171 166 GLU H H 8.54 0.04 1 682 171 166 GLU C C 173.293 0.40 1 683 171 166 GLU CA C 58.658 0.40 1 684 171 166 GLU CB C 28.693 0.40 1 685 171 166 GLU N N 121.428 0.40 1 686 172 167 GLY H H 8.676 0.04 1 687 172 167 GLY C C 177.504 0.40 1 688 172 167 GLY CA C 45.452 0.40 1 689 172 167 GLY N N 113.162 0.40 1 690 173 168 GLU H H 7.805 0.04 1 691 173 168 GLU C C 173.311 0.40 1 692 173 168 GLU CA C 55.689 0.40 1 693 173 168 GLU CB C 31.204 0.40 1 694 173 168 GLU N N 119.545 0.40 1 695 174 169 LYS H H 8.215 0.04 1 696 174 169 LYS C C 175.352 0.40 1 697 174 169 LYS CA C 57.207 0.40 1 698 174 169 LYS CB C 34.185 0.40 1 699 174 169 LYS N N 120.834 0.40 1 700 175 170 VAL H H 7.914 0.04 1 701 175 170 VAL C C 176.595 0.40 1 702 175 170 VAL CA C 63.046 0.40 1 703 175 170 VAL CB C 31.265 0.40 1 704 175 170 VAL N N 122.529 0.40 1 705 176 171 ARG H H 7.57 0.04 1 706 176 171 ARG C C 175.742 0.40 1 707 176 171 ARG CA C 55.767 0.40 1 708 176 171 ARG CB C 30.48 0.40 1 709 176 171 ARG N N 127.622 0.40 1 710 177 172 VAL H H 8.276 0.04 1 711 177 172 VAL C C 177.523 0.40 1 712 177 172 VAL CA C 65.322 0.40 1 713 177 172 VAL CB C 31.431 0.40 1 714 177 172 VAL N N 122.521 0.40 1 715 179 174 ASP H H 7.848 0.04 1 716 179 174 ASP C C 174.554 0.40 1 717 179 174 ASP CA C 54.687 0.40 1 718 179 174 ASP CB C 40.417 0.40 1 719 179 174 ASP N N 122.577 0.40 1 720 180 175 ASP H H 8.521 0.04 1 721 180 175 ASP C C 174.61 0.40 1 722 180 175 ASP CA C 54.379 0.40 1 723 180 175 ASP CB C 42.178 0.40 1 724 180 175 ASP N N 121.916 0.40 1 725 181 176 LEU H H 9.782 0.04 1 726 181 176 LEU C C 175.166 0.40 1 727 181 176 LEU CA C 54.379 0.40 1 728 181 176 LEU CB C 45.395 0.40 1 729 181 176 LEU N N 121.499 0.40 1 730 185 180 SER H H 9.183 0.04 1 731 185 180 SER C C 175.871 0.40 1 732 185 180 SER CA C 57.514 0.40 1 733 185 180 SER CB C 62.772 0.40 1 734 185 180 SER N N 122.939 0.40 1 735 186 181 VAL H H 8.285 0.04 1 736 186 181 VAL C C 177.226 0.40 1 737 186 181 VAL CA C 65.883 0.40 1 738 186 181 VAL CB C 31.19 0.40 1 739 186 181 VAL N N 131.799 0.40 1 740 187 182 SER H H 7 0.04 1 741 187 182 SER C C 177.077 0.40 1 742 187 182 SER CA C 60.2 0.40 1 743 187 182 SER CB C 62.264 0.40 1 744 187 182 SER N N 110.228 0.40 1 745 188 183 SER H H 7.886 0.04 1 746 188 183 SER C C 176.632 0.40 1 747 188 183 SER CA C 58.889 0.40 1 748 188 183 SER CB C 66.818 0.40 1 749 188 183 SER N N 115.022 0.40 1 750 189 184 GLU H H 7.929 0.04 1 751 189 184 GLU C C 175 0.40 1 752 189 184 GLU CA C 58.562 0.40 1 753 189 184 GLU CB C 27.42 0.40 1 754 189 184 GLU N N 118.477 0.40 1 755 190 185 ARG H H 6.723 0.04 1 756 190 185 ARG C C 173.868 0.40 1 757 190 185 ARG CA C 54.238 0.40 1 758 190 185 ARG CB C 32.141 0.40 1 759 190 185 ARG N N 116.828 0.40 1 760 191 186 TYR H H 8.912 0.04 1 761 191 186 TYR C C 174.368 0.40 1 762 191 186 TYR CA C 57.405 0.40 1 763 191 186 TYR CB C 39.444 0.40 1 764 191 186 TYR N N 118.733 0.40 1 765 192 187 LEU H H 8.836 0.04 1 766 192 187 LEU C C 176.753 0.40 1 767 192 187 LEU CA C 57.061 0.40 1 768 192 187 LEU CB C 41.351 0.40 1 769 192 187 LEU N N 123.46 0.40 1 770 193 188 HIS H H 10.227 0.04 1 771 193 188 HIS C C 178.766 0.40 1 772 193 188 HIS CA C 56.349 0.40 1 773 193 188 HIS CB C 31.613 0.40 1 774 193 188 HIS N N 134.195 0.40 1 775 194 189 LEU H H 7.784 0.04 1 776 194 189 LEU C C 170.268 0.40 1 777 194 189 LEU CA C 54.139 0.40 1 778 194 189 LEU CB C 44.036 0.40 1 779 194 189 LEU N N 128.5 0.40 1 780 195 190 SER H H 9.042 0.04 1 781 195 190 SER C C 174.74 0.40 1 782 195 190 SER CA C 56.814 0.40 1 783 195 190 SER CB C 66.26 0.40 1 784 195 190 SER N N 122.195 0.40 1 785 196 191 TYR H H 8.657 0.04 1 786 196 191 TYR C C 172.439 0.40 1 787 196 191 TYR CA C 57.019 0.40 1 788 196 191 TYR CB C 39.817 0.40 1 789 196 191 TYR N N 124.809 0.40 1 790 197 192 GLY H H 8.03 0.04 1 791 197 192 GLY C C 176.113 0.40 1 792 197 192 GLY CA C 45.492 0.40 1 793 197 192 GLY N N 114.111 0.40 1 794 200 195 SER H H 6.893 0.04 1 795 200 195 SER C C 172.661 0.40 1 796 200 195 SER CA C 56.89 0.40 1 797 200 195 SER CB C 65.522 0.40 1 798 200 195 SER N N 113.158 0.40 1 799 201 196 TRP H H 8.243 0.04 1 800 201 196 TRP C C 171.813 0.40 1 801 201 196 TRP CA C 56.99 0.40 1 802 201 196 TRP CB C 31.501 0.40 1 803 201 196 TRP N N 122.521 0.40 1 804 202 197 HIS H H 9.383 0.04 1 805 202 197 HIS C C 173.805 0.40 1 806 202 197 HIS CA C 55.169 0.40 1 807 202 197 HIS CB C 32.254 0.40 1 808 202 197 HIS N N 121.171 0.40 1 809 203 198 VAL H H 8.649 0.04 1 810 203 198 VAL C C 172.439 0.40 1 811 203 198 VAL CA C 58.683 0.40 1 812 203 198 VAL CB C 33.957 0.40 1 813 203 198 VAL N N 119.943 0.40 1 814 204 199 ASP H H 9.822 0.04 1 815 204 199 ASP C C 173.162 0.40 1 816 204 199 ASP CA C 53.545 0.40 1 817 204 199 ASP CB C 42.169 0.40 1 818 204 199 ASP N N 127.907 0.40 1 819 205 200 ALA H H 9.176 0.04 1 820 205 200 ALA C C 172.754 0.40 1 821 205 200 ALA CA C 50.147 0.40 1 822 205 200 ALA CB C 19.642 0.40 1 823 205 200 ALA N N 121.047 0.40 1 824 206 201 ALA H H 9.088 0.04 1 825 206 201 ALA C C 176.465 0.40 1 826 206 201 ALA CA C 50.609 0.40 1 827 206 201 ALA CB C 23.819 0.40 1 828 206 201 ALA N N 127.318 0.40 1 829 207 202 PHE H H 8.953 0.04 1 830 207 202 PHE C C 176.576 0.40 1 831 207 202 PHE CA C 59.714 0.40 1 832 207 202 PHE CB C 38.239 0.40 1 833 207 202 PHE N N 117.878 0.40 1 834 208 203 GLN H H 6.613 0.04 1 835 208 203 GLN C C 175.166 0.40 1 836 208 203 GLN CA C 55.096 0.40 1 837 208 203 GLN CB C 30.437 0.40 1 838 208 203 GLN N N 117.531 0.40 1 839 209 204 GLN H H 8.108 0.04 1 840 209 204 GLN C C 173.162 0.40 1 841 209 204 GLN CA C 56.217 0.40 1 842 209 204 GLN CB C 29.912 0.40 1 843 209 204 GLN N N 117.318 0.40 1 844 210 205 THR H H 6.641 0.04 1 845 210 205 THR C C 176.15 0.40 1 846 210 205 THR CA C 62.848 0.40 1 847 210 205 THR CB C 73.244 0.40 1 848 210 205 THR N N 116.616 0.40 1 849 211 206 LEU H H 8.418 0.04 1 850 211 206 LEU C C 171.418 0.40 1 851 211 206 LEU CA C 55.012 0.40 1 852 211 206 LEU CB C 41.627 0.40 1 853 211 206 LEU N N 126.776 0.40 1 854 212 207 TRP H H 9.462 0.04 1 855 212 207 TRP C C 175.742 0.40 1 856 212 207 TRP CA C 56.052 0.40 1 857 212 207 TRP CB C 31.169 0.40 1 858 212 207 TRP N N 124.678 0.40 1 859 213 208 SER H H 9.642 0.04 1 860 213 208 SER C C 175.575 0.40 1 861 213 208 SER CA C 57.141 0.40 1 862 213 208 SER CB C 64.8 0.40 1 863 213 208 SER N N 118.197 0.40 1 864 214 209 VAL H H 8.433 0.04 1 865 214 209 VAL C C 174.183 0.40 1 866 214 209 VAL CA C 61.398 0.40 1 867 214 209 VAL CB C 32.502 0.40 1 868 214 209 VAL N N 125.581 0.40 1 869 215 210 ALA H H 8.572 0.04 1 870 215 210 ALA C C 174.647 0.40 1 871 215 210 ALA CA C 49.058 0.40 1 872 215 210 ALA CB C 20.299 0.40 1 873 215 210 ALA N N 130.074 0.40 1 874 217 212 ILE H H 8.463 0.04 1 875 217 212 ILE C C 177.319 0.40 1 876 217 212 ILE CA C 61.331 0.40 1 877 217 212 ILE CB C 38.359 0.40 1 878 217 212 ILE N N 121.948 0.40 1 879 218 213 SER H H 8.334 0.04 1 880 218 213 SER C C 176.311 0.40 1 881 218 213 SER CA C 57.979 0.40 1 882 218 213 SER CB C 64.049 0.40 1 883 218 213 SER N N 119.001 0.40 1 884 219 214 SER H H 8.501 0.04 1 885 219 214 SER C C 174.443 0.40 1 886 219 214 SER CA C 58.625 0.40 1 887 219 214 SER CB C 64.728 0.40 1 888 219 214 SER N N 119.135 0.40 1 889 220 215 GLY H H 8.497 0.04 1 890 220 215 GLY C C 175.111 0.40 1 891 220 215 GLY CA C 45.588 0.40 1 892 220 215 GLY N N 111.634 0.40 1 893 221 216 SER H H 8.247 0.04 1 894 221 216 SER C C 174.313 0.40 1 895 221 216 SER CA C 58.641 0.40 1 896 221 216 SER CB C 63.988 0.40 1 897 221 216 SER N N 116.146 0.40 1 898 222 217 GLU H H 8.516 0.04 1 899 222 217 GLU C C 174.573 0.40 1 900 222 217 GLU CA C 56.679 0.40 1 901 222 217 GLU CB C 30.233 0.40 1 902 222 217 GLU N N 123.229 0.40 1 903 223 218 ALA H H 8.242 0.04 1 904 223 218 ALA C C 176.038 0.40 1 905 223 218 ALA CA C 52.456 0.40 1 906 223 218 ALA CB C 19.106 0.40 1 907 223 218 ALA N N 125.991 0.40 1 908 224 219 ALA H H 7.914 0.04 1 909 224 219 ALA C C 176.391 0.40 1 910 224 219 ALA CA C 54.007 0.40 1 911 224 219 ALA N N 130.099 0.40 1 stop_ save_