data_17042 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, and 13C resonance assignment of rat-nNOS fragment (residues 134-298) ; _BMRB_accession_number 17042 _BMRB_flat_file_name bmr17042.str _Entry_type original _Submission_date 2010-07-02 _Accession_date 2010-07-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'rat nNOS' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumar Dinesh . Jr. 2 Hosur Ramakrishna V. Sr. 3 Parhad Swapnil S. Jr. 4 Ray Krishanu . Sr. 5 Mazumdar Shyamalava . Sr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 119 "13C chemical shifts" 315 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-13 original author . stop_ _Original_release_date 2010-07-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone 1H, 15N, and 13C resonance assignment of rat nNOS fragment (residues 134-298)' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Parhad Swapnil S. Jr. 2 Kumar Dinesh . Jr. 3 Hosur Ramakrishna V. Sr. 4 Ray Krishanu . Sr. 5 Mazumdar Shyamalava . Sr. stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'Backbone Assignment' hncoCANH HNN 'rat nNOS' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'nNOS fragment' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'nNOS fragment' $nNOS134-298 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_nNOS134-298 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common nNOS134-298 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Interacts with DLC1' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; GSPEFDLSHQPSASKDQSLA VDRVTGLGNGPQHAQGHGQG AGSVSQANGVAIDPTMKSTK ANLQDIGEHDELLKEIEPVL SILNSGSKATNRGGPAKAEM KDTGIQVDRDLDGKSHKAPP LGGDNDRVFNDLWGKDNVPV VLNNPYSEKEQSPTSGKQSP TKNGSPSRCP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PRO 4 GLU 5 PHE 6 ASP 7 LEU 8 SER 9 HIS 10 GLN 11 PRO 12 SER 13 ALA 14 SER 15 LYS 16 ASP 17 GLN 18 SER 19 LEU 20 ALA 21 VAL 22 ASP 23 ARG 24 VAL 25 THR 26 GLY 27 LEU 28 GLY 29 ASN 30 GLY 31 PRO 32 GLN 33 HIS 34 ALA 35 GLN 36 GLY 37 HIS 38 GLY 39 GLN 40 GLY 41 ALA 42 GLY 43 SER 44 VAL 45 SER 46 GLN 47 ALA 48 ASN 49 GLY 50 VAL 51 ALA 52 ILE 53 ASP 54 PRO 55 THR 56 MET 57 LYS 58 SER 59 THR 60 LYS 61 ALA 62 ASN 63 LEU 64 GLN 65 ASP 66 ILE 67 GLY 68 GLU 69 HIS 70 ASP 71 GLU 72 LEU 73 LEU 74 LYS 75 GLU 76 ILE 77 GLU 78 PRO 79 VAL 80 LEU 81 SER 82 ILE 83 LEU 84 ASN 85 SER 86 GLY 87 SER 88 LYS 89 ALA 90 THR 91 ASN 92 ARG 93 GLY 94 GLY 95 PRO 96 ALA 97 LYS 98 ALA 99 GLU 100 MET 101 LYS 102 ASP 103 THR 104 GLY 105 ILE 106 GLN 107 VAL 108 ASP 109 ARG 110 ASP 111 LEU 112 ASP 113 GLY 114 LYS 115 SER 116 HIS 117 LYS 118 ALA 119 PRO 120 PRO 121 LEU 122 GLY 123 GLY 124 ASP 125 ASN 126 ASP 127 ARG 128 VAL 129 PHE 130 ASN 131 ASP 132 LEU 133 TRP 134 GLY 135 LYS 136 ASP 137 ASN 138 VAL 139 PRO 140 VAL 141 VAL 142 LEU 143 ASN 144 ASN 145 PRO 146 TYR 147 SER 148 GLU 149 LYS 150 GLU 151 GLN 152 SER 153 PRO 154 THR 155 SER 156 GLY 157 LYS 158 GLN 159 SER 160 PRO 161 THR 162 LYS 163 ASN 164 GLY 165 SER 166 PRO 167 SER 168 ARG 169 CYS 170 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 EMBL CAA42574 "nitric oxidase synthase [Rattus rattus]" 97.06 1429 99.39 100.00 6.71e-105 GB AAC52782 "neuronal nitric oxide synthase [Rattus norvegicus]" 97.06 1463 100.00 100.00 6.20e-105 PRF 1712320A "nitric oxide synthase" 97.06 1429 99.39 100.00 6.71e-105 REF NP_434686 "nitric oxide synthase, brain [Rattus norvegicus]" 97.06 1463 100.00 100.00 6.20e-105 REF XP_008767432 "PREDICTED: nitric oxide synthase, brain isoform X1 [Rattus norvegicus]" 97.06 1463 100.00 100.00 6.20e-105 SP P29476 "RecName: Full=Nitric oxide synthase, brain; AltName: Full=BNOS; AltName: Full=Constitutive NOS; AltName: Full=NC-NOS; AltName: " 97.06 1429 99.39 100.00 6.71e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $nNOS134-298 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $nNOS134-298 'recombinant technology' . Escherichia coli BL21 D3 pGEX-4T1 'Expressed as Fusion Protein with GST tag' 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 $nNOS134-298 800 uM '[U-99% 13C; U-99% 15N]' D2O 90 % 'natural abundance' DTT 1 mM 'natural abundance' H2O 10 % 'natural abundance' 'potassium phosphate' 100 mM 'natural abundance' 'potassium chloride' 300 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Equopped with Cryoprobe' 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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_HNN_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNN _Sample_label $sample_1 save_ save_hncoCANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name hncoCANH _Sample_label $sample_1 save_ save_hnCOcaNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name hnCOcaNH _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 1 mM pH 7.2 0.1 pH pressure 1 0.01 atm temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' HNN hncoCANH 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 'nNOS fragment' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 GLU H H 8.391 0.020 1 2 4 4 GLU C C 176.193 0.3 1 3 4 4 GLU CA C 57.314 0.3 1 4 4 4 GLU CB C 30.184 0.3 1 5 4 4 GLU N N 120.200 0.3 1 6 5 5 PHE H H 7.913 0.020 1 7 5 5 PHE C C 176.053 0.3 1 8 5 5 PHE CA C 57.736 0.3 1 9 5 5 PHE CB C 40.026 0.3 1 10 5 5 PHE N N 119.849 0.3 1 11 6 6 ASP H H 8.182 0.020 1 12 6 6 ASP C C 176.240 0.3 1 13 6 6 ASP CA C 54.555 0.3 1 14 6 6 ASP CB C 41.477 0.3 1 15 6 6 ASP N N 121.847 0.3 1 16 7 7 LEU H H 8.165 0.020 1 17 7 7 LEU C C 177.761 0.3 1 18 7 7 LEU CA C 55.918 0.3 1 19 7 7 LEU CB C 42.252 0.3 1 20 7 7 LEU N N 123.240 0.3 1 21 8 8 SER H H 8.228 0.020 1 22 8 8 SER C C 174.186 0.3 1 23 8 8 SER CA C 59.489 0.3 1 24 8 8 SER CB C 63.871 0.3 1 25 8 8 SER N N 115.428 0.3 1 26 9 9 HIS H H 7.972 0.020 1 27 9 9 HIS C C 174.613 0.3 1 28 9 9 HIS CA C 56.506 0.3 1 29 9 9 HIS CB C 30.811 0.3 1 30 9 9 HIS N N 120.746 0.3 1 31 10 10 GLN H H 8.037 0.020 1 32 10 10 GLN CA C 53.788 0.3 1 33 10 10 GLN CB C 29.125 0.3 1 34 10 10 GLN N N 122.512 0.3 1 35 13 13 ALA H H 8.279 0.020 1 36 13 13 ALA C C 177.653 0.3 1 37 13 13 ALA CA C 52.805 0.3 1 38 13 13 ALA CB C 19.587 0.3 1 39 13 13 ALA N N 126.118 0.3 1 40 14 14 SER H H 8.162 0.020 1 41 14 14 SER C C 176.933 0.3 1 42 14 14 SER CA C 58.671 0.3 1 43 14 14 SER CB C 63.827 0.3 1 44 14 14 SER N N 114.882 0.3 1 45 15 15 LYS H H 8.343 0.020 1 46 15 15 LYS C C 175.466 0.3 1 47 15 15 LYS CA C 56.484 0.3 1 48 15 15 LYS CB C 32.219 0.3 1 49 15 15 LYS N N 122.534 0.3 1 50 16 16 ASP H H 8.201 0.020 1 51 16 16 ASP C C 176.213 0.3 1 52 16 16 ASP CA C 54.817 0.3 1 53 16 16 ASP CB C 41.295 0.3 1 54 16 16 ASP N N 120.881 0.3 1 55 17 17 GLN H H 8.291 0.020 1 56 17 17 GLN C C 176.080 0.3 1 57 17 17 GLN CA C 56.642 0.3 1 58 17 17 GLN CB C 29.595 0.3 1 59 17 17 GLN N N 121.452 0.3 1 60 18 18 SER H H 8.317 0.020 1 61 18 18 SER C C 174.373 0.3 1 62 18 18 SER CA C 59.496 0.3 1 63 18 18 SER CB C 64.249 0.3 1 64 18 18 SER N N 116.789 0.3 1 65 19 19 LEU H H 8.006 0.020 1 66 19 19 LEU C C 176.880 0.3 1 67 19 19 LEU CA C 55.244 0.3 1 68 19 19 LEU CB C 42.566 0.3 1 69 19 19 LEU N N 123.387 0.3 1 70 20 20 ALA H H 8.059 0.020 1 71 20 20 ALA C C 177.627 0.3 1 72 20 20 ALA CA C 52.883 0.3 1 73 20 20 ALA CB C 19.365 0.3 1 74 20 20 ALA N N 124.809 0.3 1 75 21 21 VAL H H 7.906 0.020 1 76 21 21 VAL C C 175.760 0.3 1 77 21 21 VAL CA C 62.475 0.3 1 78 21 21 VAL CB C 33.145 0.3 1 79 21 21 VAL N N 118.493 0.3 1 80 22 22 ASP H H 8.231 0.020 1 81 22 22 ASP C C 176.000 0.3 1 82 22 22 ASP CA C 54.867 0.3 1 83 22 22 ASP CB C 41.499 0.3 1 84 22 22 ASP N N 123.162 0.3 1 85 23 23 ARG H H 8.121 0.020 1 86 23 23 ARG C C 176.133 0.3 1 87 23 23 ARG CA C 56.896 0.3 1 88 23 23 ARG CB C 30.990 0.3 1 89 23 23 ARG N N 121.377 0.3 1 90 24 24 VAL H H 8.159 0.020 1 91 24 24 VAL C C 176.507 0.3 1 92 24 24 VAL CA C 63.235 0.3 1 93 24 24 VAL CB C 32.875 0.3 1 94 24 24 VAL N N 120.997 0.3 1 95 25 25 THR H H 8.177 0.020 1 96 25 25 THR C C 174.880 0.3 1 97 25 25 THR CA C 62.403 0.3 1 98 25 25 THR CB C 70.066 0.3 1 99 25 25 THR N N 116.928 0.3 1 100 26 26 GLY H H 8.280 0.020 1 101 26 26 GLY C C 173.999 0.3 1 102 26 26 GLY CA C 45.824 0.3 1 103 26 26 GLY N N 110.755 0.3 1 104 27 27 LEU H H 8.066 0.020 1 105 27 27 LEU C C 177.920 0.3 1 106 27 27 LEU CA C 55.492 0.3 1 107 27 27 LEU CB C 42.645 0.3 1 108 27 27 LEU N N 121.363 0.3 1 109 28 28 GLY H H 8.345 0.020 1 110 28 28 GLY C C 175.653 0.3 1 111 28 28 GLY CA C 45.590 0.3 1 112 28 28 GLY N N 109.160 0.3 1 113 29 29 ASN H H 8.227 0.020 1 114 29 29 ASN C C 175.200 0.3 1 115 29 29 ASN CA C 53.258 0.3 1 116 29 29 ASN CB C 39.516 0.3 1 117 29 29 ASN N N 118.452 0.3 1 118 30 30 GLY H H 8.259 0.020 1 119 30 30 GLY CA C 45.518 0.3 1 120 30 30 GLY N N 109.293 0.3 1 121 32 32 GLN H H 8.496 0.020 1 122 32 32 GLN CA C 55.966 0.3 1 123 32 32 GLN CB C 29.172 0.3 1 124 32 32 GLN N N 120.186 0.3 1 125 34 34 ALA H H 8.151 0.020 1 126 34 34 ALA C C 177.413 0.3 1 127 34 34 ALA CA C 52.782 0.3 1 128 34 34 ALA CB C 19.496 0.3 1 129 34 34 ALA N N 124.962 0.3 1 130 35 35 GLN H H 8.322 0.020 1 131 35 35 GLN C C 176.480 0.3 1 132 35 35 GLN CA C 56.337 0.3 1 133 35 35 GLN CB C 29.543 0.3 1 134 35 35 GLN N N 119.302 0.3 1 135 36 36 GLY H H 8.312 0.020 1 136 36 36 GLY CA C 45.518 0.3 1 137 36 36 GLY N N 109.706 0.3 1 138 38 38 GLY H H 8.358 0.020 1 139 38 38 GLY C C 172.093 0.3 1 140 38 38 GLY CA C 45.434 0.3 1 141 38 38 GLY N N 109.649 0.3 1 142 39 39 GLN H H 8.055 0.020 1 143 39 39 GLN C C 176.427 0.3 1 144 39 39 GLN CA C 56.337 0.3 1 145 39 39 GLN CB C 29.543 0.3 1 146 39 39 GLN N N 121.664 0.3 1 147 40 40 GLY H H 8.418 0.020 1 148 40 40 GLY C C 173.813 0.3 1 149 40 40 GLY CA C 45.603 0.3 1 150 40 40 GLY N N 109.982 0.3 1 151 41 41 ALA H H 8.201 0.020 1 152 41 41 ALA C C 178.240 0.3 1 153 41 41 ALA CA C 53.048 0.3 1 154 41 41 ALA CB C 19.790 0.3 1 155 41 41 ALA N N 123.923 0.3 1 156 42 42 GLY H H 8.362 0.020 1 157 42 42 GLY C C 174.053 0.3 1 158 42 42 GLY CA C 45.444 0.3 1 159 42 42 GLY N N 108.121 0.3 1 160 43 43 SER H H 8.071 0.020 1 161 43 43 SER C C 174.506 0.3 1 162 43 43 SER CA C 58.619 0.3 1 163 43 43 SER CB C 64.127 0.3 1 164 43 43 SER N N 115.482 0.3 1 165 44 44 VAL H H 8.109 0.020 1 166 44 44 VAL CA C 62.570 0.3 1 167 44 44 VAL CB C 32.971 0.3 1 168 44 44 VAL N N 121.510 0.3 1 169 48 48 ASN H H 7.919 0.020 1 170 48 48 ASN C C 175.466 0.3 1 171 48 48 ASN CA C 55.043 0.3 1 172 48 48 ASN CB C 41.208 0.3 1 173 48 48 ASN N N 123.489 0.3 1 174 49 49 GLY H H 8.216 0.020 1 175 49 49 GLY C C 173.733 0.3 1 176 49 49 GLY CA C 45.654 0.3 1 177 49 49 GLY N N 108.926 0.3 1 178 50 50 VAL H H 7.791 0.020 1 179 50 50 VAL C C 175.520 0.3 1 180 50 50 VAL CA C 62.052 0.3 1 181 50 50 VAL CB C 32.722 0.3 1 182 50 50 VAL N N 119.307 0.3 1 183 51 51 ALA H H 8.285 0.020 1 184 51 51 ALA C C 177.173 0.3 1 185 51 51 ALA CA C 52.525 0.3 1 186 51 51 ALA CB C 19.706 0.3 1 187 51 51 ALA N N 128.046 0.3 1 188 52 52 ILE H H 8.019 0.020 1 189 52 52 ILE C C 175.466 0.3 1 190 52 52 ILE CA C 60.895 0.3 1 191 52 52 ILE CB C 39.252 0.3 1 192 52 52 ILE N N 120.604 0.3 1 193 53 53 ASP H H 8.308 0.020 1 194 53 53 ASP CA C 51.942 0.3 1 195 53 53 ASP CB C 41.630 0.3 1 196 53 53 ASP N N 126.026 0.3 1 197 55 55 THR H H 8.286 0.020 1 198 55 55 THR C C 174.986 0.3 1 199 55 55 THR CA C 63.188 0.3 1 200 55 55 THR CB C 69.702 0.3 1 201 55 55 THR N N 112.177 0.3 1 202 56 56 MET H H 7.846 0.020 1 203 56 56 MET C C 176.507 0.3 1 204 56 56 MET CA C 55.838 0.3 1 205 56 56 MET CB C 33.077 0.3 1 206 56 56 MET N N 121.795 0.3 1 207 57 57 LYS H H 8.126 0.020 1 208 57 57 LYS CA C 57.344 0.3 1 209 57 57 LYS CB C 30.541 0.3 1 210 57 57 LYS N N 122.041 0.3 1 211 61 61 ALA H H 8.185 0.020 1 212 61 61 ALA C C 177.280 0.3 1 213 61 61 ALA CA C 53.008 0.3 1 214 61 61 ALA CB C 19.706 0.3 1 215 61 61 ALA N N 124.848 0.3 1 216 62 62 ASN H H 8.298 0.020 1 217 62 62 ASN C C 175.173 0.3 1 218 62 62 ASN CA C 53.407 0.3 1 219 62 62 ASN CB C 38.832 0.3 1 220 62 62 ASN N N 117.664 0.3 1 221 63 63 LEU H H 8.121 0.020 1 222 63 63 LEU C C 177.333 0.3 1 223 63 63 LEU CA C 56.008 0.3 1 224 63 63 LEU CB C 42.316 0.3 1 225 63 63 LEU N N 122.394 0.3 1 226 64 64 GLN H H 8.195 0.020 1 227 64 64 GLN C C 176.053 0.3 1 228 64 64 GLN CA C 56.558 0.3 1 229 64 64 GLN CB C 29.848 0.3 1 230 64 64 GLN N N 119.727 0.3 1 231 65 65 ASP H H 8.194 0.020 1 232 65 65 ASP C C 176.053 0.3 1 233 65 65 ASP CA C 54.771 0.3 1 234 65 65 ASP CB C 41.404 0.3 1 235 65 65 ASP N N 121.391 0.3 1 236 66 66 ILE H H 7.954 0.020 1 237 66 66 ILE C C 176.533 0.3 1 238 66 66 ILE CA C 61.639 0.3 1 239 66 66 ILE CB C 38.925 0.3 1 240 66 66 ILE N N 120.249 0.3 1 241 67 67 GLY H H 8.372 0.020 1 242 67 67 GLY C C 173.893 0.3 1 243 67 67 GLY CA C 45.440 0.3 1 244 67 67 GLY N N 112.167 0.3 1 245 68 68 GLU H H 8.163 0.020 1 246 68 68 GLU CA C 56.844 0.3 1 247 68 68 GLU CB C 30.473 0.3 1 248 68 68 GLU N N 120.401 0.3 1 249 69 69 HIS H H 8.362 0.020 1 250 69 69 HIS CA C 56.665 0.3 1 251 69 69 HIS CB C 33.262 0.3 1 252 69 69 HIS N N 118.582 0.3 1 253 70 70 ASP H H 8.354 0.020 1 254 70 70 ASP C C 176.347 0.3 1 255 70 70 ASP CA C 54.553 0.3 1 256 70 70 ASP CB C 41.461 0.3 1 257 70 70 ASP N N 121.475 0.3 1 258 71 71 GLU H H 8.439 0.020 1 259 71 71 GLU C C 175.626 0.3 1 260 71 71 GLU CA C 56.727 0.3 1 261 71 71 GLU CB C 29.678 0.3 1 262 71 71 GLU N N 121.587 0.3 1 263 72 72 LEU H H 8.248 0.020 1 264 72 72 LEU C C 177.360 0.3 1 265 72 72 LEU CA C 55.829 0.3 1 266 72 72 LEU CB C 42.388 0.3 1 267 72 72 LEU N N 124.973 0.3 1 268 73 73 LEU H H 7.946 0.020 1 269 73 73 LEU C C 177.093 0.3 1 270 73 73 LEU CA C 55.459 0.3 1 271 73 73 LEU CB C 42.077 0.3 1 272 73 73 LEU N N 122.051 0.3 1 273 74 74 LYS H H 7.957 0.020 1 274 74 74 LYS C C 176.213 0.3 1 275 74 74 LYS CA C 56.675 0.3 1 276 74 74 LYS CB C 33.044 0.3 1 277 74 74 LYS N N 121.751 0.3 1 278 75 75 GLU H H 8.236 0.020 1 279 75 75 GLU C C 176.027 0.3 1 280 75 75 GLU CA C 56.422 0.3 1 281 75 75 GLU CB C 30.472 0.3 1 282 75 75 GLU N N 121.619 0.3 1 283 76 76 ILE H H 8.053 0.020 1 284 76 76 ILE C C 175.786 0.3 1 285 76 76 ILE CA C 61.148 0.3 1 286 76 76 ILE CB C 38.941 0.3 1 287 76 76 ILE N N 121.742 0.3 1 288 77 77 GLU H H 8.329 0.020 1 289 77 77 GLU CA C 54.731 0.3 1 290 77 77 GLU CB C 30.051 0.3 1 291 77 77 GLU N N 126.505 0.3 1 292 79 79 VAL H H 8.142 0.020 1 293 79 79 VAL C C 176.187 0.3 1 294 79 79 VAL CA C 62.841 0.3 1 295 79 79 VAL CB C 32.639 0.3 1 296 79 79 VAL N N 120.690 0.3 1 297 80 80 LEU H H 8.240 0.020 1 298 80 80 LEU C C 176.507 0.3 1 299 80 80 LEU CA C 55.356 0.3 1 300 80 80 LEU CB C 42.764 0.3 1 301 80 80 LEU N N 125.899 0.3 1 302 81 81 SER H H 8.191 0.020 1 303 81 81 SER C C 175.813 0.3 1 304 81 81 SER CA C 58.515 0.3 1 305 81 81 SER CB C 64.195 0.3 1 306 81 81 SER N N 116.791 0.3 1 307 82 82 ILE H H 8.008 0.020 1 308 82 82 ILE C C 176.267 0.3 1 309 82 82 ILE CA C 61.828 0.3 1 310 82 82 ILE CB C 38.713 0.3 1 311 82 82 ILE N N 122.302 0.3 1 312 83 83 LEU H H 8.104 0.020 1 313 83 83 LEU CA C 55.577 0.3 1 314 83 83 LEU CB C 42.443 0.3 1 315 83 83 LEU N N 124.873 0.3 1 316 88 88 LYS H H 8.110 0.020 1 317 88 88 LYS C C 176.187 0.3 1 318 88 88 LYS CA C 56.506 0.3 1 319 88 88 LYS CB C 30.947 0.3 1 320 88 88 LYS N N 121.312 0.3 1 321 89 89 ALA H H 8.234 0.020 1 322 89 89 ALA C C 177.814 0.3 1 323 89 89 ALA CA C 52.904 0.3 1 324 89 89 ALA CB C 19.570 0.3 1 325 89 89 ALA N N 125.255 0.3 1 326 90 90 THR H H 8.029 0.020 1 327 90 90 THR CA C 62.030 0.3 1 328 90 90 THR CB C 69.860 0.3 1 329 90 90 THR N N 112.896 0.3 1 330 93 93 GLY H H 8.262 0.020 1 331 93 93 GLY C C 174.026 0.3 1 332 93 93 GLY CA C 45.011 0.3 1 333 93 93 GLY N N 109.190 0.3 1 334 94 94 GLY H H 8.034 0.020 1 335 94 94 GLY CA C 44.758 0.3 1 336 94 94 GLY N N 108.869 0.3 1 337 96 96 ALA H H 8.326 0.020 1 338 96 96 ALA CA C 52.348 0.3 1 339 96 96 ALA CB C 19.345 0.3 1 340 96 96 ALA N N 124.301 0.3 1 341 97 97 LYS H H 8.170 0.020 1 342 97 97 LYS N N 120.824 0.3 1 343 98 98 ALA H H 8.210 0.020 1 344 98 98 ALA C C 177.467 0.3 1 345 98 98 ALA CA C 50.641 0.3 1 346 98 98 ALA CB C 18.555 0.3 1 347 98 98 ALA N N 127.030 0.3 1 348 99 99 GLU H H 8.303 0.020 1 349 99 99 GLU C C 176.240 0.3 1 350 99 99 GLU CA C 56.727 0.3 1 351 99 99 GLU CB C 30.521 0.3 1 352 99 99 GLU N N 119.974 0.3 1 353 100 100 MET H H 8.282 0.020 1 354 100 100 MET C C 176.240 0.3 1 355 100 100 MET CA C 56.844 0.3 1 356 100 100 MET CB C 33.516 0.3 1 357 100 100 MET N N 121.877 0.3 1 358 101 101 LYS H H 8.238 0.020 1 359 101 101 LYS C C 176.027 0.3 1 360 101 101 LYS CA C 56.422 0.3 1 361 101 101 LYS CB C 30.477 0.3 1 362 101 101 LYS N N 121.868 0.3 1 363 102 102 ASP H H 8.345 0.020 1 364 102 102 ASP C C 176.453 0.3 1 365 102 102 ASP CA C 54.577 0.3 1 366 102 102 ASP CB C 41.495 0.3 1 367 102 102 ASP N N 121.674 0.3 1 368 103 103 THR H H 8.074 0.020 1 369 103 103 THR C C 175.226 0.3 1 370 103 103 THR CA C 62.643 0.3 1 371 103 103 THR CB C 69.997 0.3 1 372 103 103 THR N N 113.890 0.3 1 373 104 104 GLY H H 8.395 0.020 1 374 104 104 GLY C C 173.839 0.3 1 375 104 104 GLY CA C 45.401 0.3 1 376 104 104 GLY N N 110.958 0.3 1 377 105 105 ILE H H 7.812 0.020 1 378 105 105 ILE C C 175.973 0.3 1 379 105 105 ILE CA C 61.324 0.3 1 380 105 105 ILE CB C 38.950 0.3 1 381 105 105 ILE N N 119.835 0.3 1 382 106 106 GLN H H 8.423 0.020 1 383 106 106 GLN C C 175.600 0.3 1 384 106 106 GLN CA C 55.830 0.3 1 385 106 106 GLN CB C 29.598 0.3 1 386 106 106 GLN N N 125.180 0.3 1 387 107 107 VAL H H 8.131 0.020 1 388 107 107 VAL C C 175.493 0.3 1 389 107 107 VAL CA C 62.897 0.3 1 390 107 107 VAL CB C 33.314 0.3 1 391 107 107 VAL N N 121.900 0.3 1 392 108 108 ASP H H 8.345 0.020 1 393 108 108 ASP C C 175.040 0.3 1 394 108 108 ASP CA C 54.657 0.3 1 395 108 108 ASP CB C 41.405 0.3 1 396 108 108 ASP N N 123.865 0.3 1 397 109 109 ARG H H 8.183 0.020 1 398 109 109 ARG C C 175.893 0.3 1 399 109 109 ARG CA C 56.467 0.3 1 400 109 109 ARG CB C 31.120 0.3 1 401 109 109 ARG N N 121.654 0.3 1 402 110 110 ASP H H 8.344 0.020 1 403 110 110 ASP C C 176.000 0.3 1 404 110 110 ASP CA C 54.788 0.3 1 405 110 110 ASP CB C 41.132 0.3 1 406 110 110 ASP N N 120.811 0.3 1 407 111 111 LEU H H 8.057 0.020 1 408 111 111 LEU C C 177.467 0.3 1 409 111 111 LEU CA C 55.970 0.3 1 410 111 111 LEU CB C 42.276 0.3 1 411 111 111 LEU N N 121.994 0.3 1 412 112 112 ASP H H 8.175 0.020 1 413 112 112 ASP C C 176.827 0.3 1 414 112 112 ASP CA C 54.900 0.3 1 415 112 112 ASP CB C 41.396 0.3 1 416 112 112 ASP N N 119.896 0.3 1 417 113 113 GLY H H 8.213 0.020 1 418 113 113 GLY C C 174.480 0.3 1 419 113 113 GLY CA C 46.110 0.3 1 420 113 113 GLY N N 109.124 0.3 1 421 114 114 LYS H H 8.051 0.020 1 422 114 114 LYS CA C 56.506 0.3 1 423 114 114 LYS CB C 31.234 0.3 1 424 114 114 LYS N N 120.281 0.3 1 425 121 121 LEU H H 8.296 0.020 1 426 121 121 LEU C C 177.947 0.3 1 427 121 121 LEU CA C 55.584 0.3 1 428 121 121 LEU CB C 42.728 0.3 1 429 121 121 LEU N N 122.493 0.3 1 430 122 122 GLY H H 8.392 0.020 1 431 122 122 GLY C C 174.400 0.3 1 432 122 122 GLY CA C 45.411 0.3 1 433 122 122 GLY N N 109.794 0.3 1 434 123 123 GLY H H 8.216 0.020 1 435 123 123 GLY C C 173.946 0.3 1 436 123 123 GLY CA C 45.713 0.3 1 437 123 123 GLY N N 108.743 0.3 1 438 124 124 ASP H H 8.301 0.020 1 439 124 124 ASP C C 176.187 0.3 1 440 124 124 ASP CA C 54.985 0.3 1 441 124 124 ASP CB C 41.415 0.3 1 442 124 124 ASP N N 120.109 0.3 1 443 125 125 ASN H H 8.329 0.020 1 444 125 125 ASN C C 174.853 0.3 1 445 125 125 ASN CA C 53.971 0.3 1 446 125 125 ASN CB C 39.179 0.3 1 447 125 125 ASN N N 118.437 0.3 1 448 126 126 ASP H H 8.182 0.020 1 449 126 126 ASP C C 176.027 0.3 1 450 126 126 ASP CA C 54.857 0.3 1 451 126 126 ASP CB C 41.383 0.3 1 452 126 126 ASP N N 120.077 0.3 1 453 127 127 ARG H H 7.950 0.020 1 454 127 127 ARG C C 175.947 0.3 1 455 127 127 ARG CA C 56.591 0.3 1 456 127 127 ARG CB C 30.896 0.3 1 457 127 127 ARG N N 120.470 0.3 1 458 128 128 VAL H H 7.888 0.020 1 459 128 128 VAL C C 175.813 0.3 1 460 128 128 VAL CA C 63.066 0.3 1 461 128 128 VAL CB C 33.060 0.3 1 462 128 128 VAL N N 120.427 0.3 1 463 129 129 PHE H H 8.206 0.020 1 464 129 129 PHE CA C 58.197 0.3 1 465 129 129 PHE CB C 39.805 0.3 1 466 129 129 PHE N N 123.359 0.3 1 467 131 131 ASP H H 8.176 0.020 1 468 131 131 ASP C C 176.240 0.3 1 469 131 131 ASP CA C 55.022 0.3 1 470 131 131 ASP CB C 41.199 0.3 1 471 131 131 ASP N N 120.753 0.3 1 472 132 132 LEU H H 7.867 0.020 1 473 132 132 LEU C C 177.333 0.3 1 474 132 132 LEU CA C 55.712 0.3 1 475 132 132 LEU CB C 41.935 0.3 1 476 132 132 LEU N N 121.093 0.3 1 477 133 133 TRP H H 7.850 0.020 1 478 133 133 TRP C C 176.800 0.3 1 479 133 133 TRP CA C 57.741 0.3 1 480 133 133 TRP CB C 29.882 0.3 1 481 133 133 TRP N N 120.018 0.3 1 482 134 134 GLY H H 8.099 0.020 1 483 134 134 GLY C C 173.919 0.3 1 484 134 134 GLY CA C 45.654 0.3 1 485 134 134 GLY N N 110.147 0.3 1 486 135 135 LYS H H 8.169 0.020 1 487 135 135 LYS C C 176.267 0.3 1 488 135 135 LYS CA C 56.956 0.3 1 489 135 135 LYS CB C 30.541 0.3 1 490 135 135 LYS N N 120.221 0.3 1 491 136 136 ASP H H 8.269 0.020 1 492 136 136 ASP C C 175.626 0.3 1 493 136 136 ASP CA C 54.671 0.3 1 494 136 136 ASP CB C 41.265 0.3 1 495 136 136 ASP N N 119.747 0.3 1 496 137 137 ASN H H 8.131 0.020 1 497 137 137 ASN C C 174.426 0.3 1 498 137 137 ASN CA C 53.853 0.3 1 499 137 137 ASN CB C 39.315 0.3 1 500 137 137 ASN N N 118.269 0.3 1 501 138 138 VAL H H 7.862 0.020 1 502 138 138 VAL CA C 63.495 0.3 1 503 138 138 VAL CB C 32.722 0.3 1 504 138 138 VAL N N 121.537 0.3 1 505 140 140 VAL H H 8.080 0.020 1 506 140 140 VAL C C 175.840 0.3 1 507 140 140 VAL CA C 63.268 0.3 1 508 140 140 VAL CB C 32.248 0.3 1 509 140 140 VAL N N 121.197 0.3 1 510 141 141 VAL H H 8.146 0.020 1 511 141 141 VAL C C 175.546 0.3 1 512 141 141 VAL CA C 62.508 0.3 1 513 141 141 VAL CB C 33.009 0.3 1 514 141 141 VAL N N 125.124 0.3 1 515 142 142 LEU H H 8.294 0.020 1 516 142 142 LEU C C 173.640 0.3 1 517 142 142 LEU CA C 55.058 0.3 1 518 142 142 LEU CB C 42.666 0.3 1 519 142 142 LEU N N 126.840 0.3 1 520 143 143 ASN H H 8.290 0.020 1 521 143 143 ASN CA C 53.481 0.3 1 522 143 143 ASN CB C 39.264 0.3 1 523 143 143 ASN N N 118.989 0.3 1 524 146 146 TYR H H 7.998 0.020 1 525 146 146 TYR C C 175.733 0.3 1 526 146 146 TYR CA C 58.076 0.3 1 527 146 146 TYR CB C 38.512 0.3 1 528 146 146 TYR N N 119.401 0.3 1 529 147 147 SER H H 7.827 0.020 1 530 147 147 SER C C 174.186 0.3 1 531 147 147 SER CA C 58.386 0.3 1 532 147 147 SER CB C 64.080 0.3 1 533 147 147 SER N N 117.074 0.3 1 534 148 148 GLU H H 8.345 0.020 1 535 148 148 GLU CA C 57.024 0.3 1 536 148 148 GLU CB C 30.453 0.3 1 537 148 148 GLU N N 123.037 0.3 1 538 154 154 THR H H 8.122 0.020 1 539 154 154 THR CA C 62.085 0.3 1 540 154 154 THR CB C 70.120 0.3 1 541 154 154 THR N N 114.191 0.3 1 542 161 161 THR H H 8.145 0.020 1 543 161 161 THR CA C 62.085 0.3 1 544 161 161 THR CB C 69.861 0.3 1 545 161 161 THR N N 113.160 0.3 1 546 164 164 GLY H H 8.170 0.020 1 547 164 164 GLY C C 171.399 0.3 1 548 164 164 GLY CA C 45.602 0.3 1 549 164 164 GLY N N 113.992 0.3 1 550 165 165 SER H H 8.123 0.020 1 551 165 165 SER CA C 56.929 0.3 1 552 165 165 SER CB C 63.775 0.3 1 553 165 165 SER N N 116.780 0.3 1 stop_ save_