data_19669 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, and 13C resonance assignments of the N-terminal carbohydrate-binding domain of beta-glucan recognition protein 2 from Manduca sexta ; _BMRB_accession_number 19669 _BMRB_flat_file_name bmr19669.str _Entry_type original _Submission_date 2013-12-09 _Accession_date 2013-12-09 _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 Takahashi Daisuke . . 2 Dai Huaien . . 3 Hiromasa Yasuaki . . 4 Krishnamoorthi Ramaswamy . . 5 Kanost Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 103 "13C chemical shifts" 190 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-01-13 original author . stop_ _Original_release_date 2014-01-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone 1H, 15N, and 13C resonance assignments of the N-terminal carbohydrate-binding domain of beta-glucan recognition protein 2 from Manduca sexta' _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 Takahashi Daisuke . . 2 Dai Huaien . . 3 Hiromasa Yasuaki . . 4 Krishnamoorthi Ramaswamy . . 5 Kanost Michael . . stop_ _Journal_abbreviation 'Not known' _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 'beta-glucan binding' 'carbohydrate binding' 'innate Immunity' 'pattern recognition receptor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ms-NbGRP2 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ms-NbGRP2 $Ms_N-bGRP2 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_Ms_N-bGRP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ms_N-bGRP2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; MGQRGGPYKVPDAKLEAIYP KGLRVSVPDDGYSLFAFHGK LNEEMEGLEAGHWSRDITKA KQGRWIFRDRNAELKLGDKI YFWTYVIKDGLGYRQDNGEW TVTEFVNENGTLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 GLN 4 4 ARG 5 5 GLY 6 6 GLY 7 7 PRO 8 8 TYR 9 9 LYS 10 10 VAL 11 11 PRO 12 12 ASP 13 13 ALA 14 14 LYS 15 15 LEU 16 16 GLU 17 17 ALA 18 18 ILE 19 19 TYR 20 20 PRO 21 21 LYS 22 22 GLY 23 23 LEU 24 24 ARG 25 25 VAL 26 26 SER 27 27 VAL 28 28 PRO 29 29 ASP 30 30 ASP 31 31 GLY 32 32 TYR 33 33 SER 34 34 LEU 35 35 PHE 36 36 ALA 37 37 PHE 38 38 HIS 39 39 GLY 40 40 LYS 41 41 LEU 42 42 ASN 43 43 GLU 44 44 GLU 45 45 MET 46 46 GLU 47 47 GLY 48 48 LEU 49 49 GLU 50 50 ALA 51 51 GLY 52 52 HIS 53 53 TRP 54 54 SER 55 55 ARG 56 56 ASP 57 57 ILE 58 58 THR 59 59 LYS 60 60 ALA 61 61 LYS 62 62 GLN 63 63 GLY 64 64 ARG 65 65 TRP 66 66 ILE 67 67 PHE 68 68 ARG 69 69 ASP 70 70 ARG 71 71 ASN 72 72 ALA 73 73 GLU 74 74 LEU 75 75 LYS 76 76 LEU 77 77 GLY 78 78 ASP 79 79 LYS 80 80 ILE 81 81 TYR 82 82 PHE 83 83 TRP 84 84 THR 85 85 TYR 86 86 VAL 87 87 ILE 88 88 LYS 89 89 ASP 90 90 GLY 91 91 LEU 92 92 GLY 93 93 TYR 94 94 ARG 95 95 GLN 96 96 ASP 97 97 ASN 98 98 GLY 99 99 GLU 100 100 TRP 101 101 THR 102 102 VAL 103 103 THR 104 104 GLU 105 105 PHE 106 106 VAL 107 107 ASN 108 108 GLU 109 109 ASN 110 110 GLY 111 111 THR 112 112 LEU 113 113 GLU 114 114 HIS 115 115 HIS 116 116 HIS 117 117 HIS 118 118 HIS 119 119 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 GB AAN10151 "beta-1,3-glucan recognition protein 2 [Manduca sexta]" 94.12 482 98.21 100.00 2.59e-71 SP Q8ISB6 "RecName: Full=Beta-1,3-glucan-binding protein 2; Short=BGBP-2; AltName: Full=Beta-1,3-glucan recognition protein 2; Short=BetaG" 94.12 482 98.21 100.00 2.59e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ms_N-bGRP2 'tobacco hornworm' 7130 Eukaryota Metazoa Manduca sexta 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 $Ms_N-bGRP2 'recombinant technology' . Escherichia coli . pET28-NbGRP2 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 $Ms_N-bGRP2 1.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 3.2 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ 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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Wuthrich group, ETH Zurich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMR _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 20 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HNCO' 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 Ms-NbGRP2 _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 ARG H H 9.832 0.020 1 2 4 4 ARG CA C 54.398 0.300 1 3 4 4 ARG CB C 28.618 0.300 1 4 4 4 ARG N N 127.395 0.300 1 5 5 5 GLY H H 8.035 0.020 1 6 5 5 GLY CA C 44.809 0.300 1 7 5 5 GLY N N 111.745 0.300 1 8 6 6 GLY H H 8.147 0.020 1 9 6 6 GLY CA C 44.206 0.300 1 10 6 6 GLY N N 108.809 0.300 1 11 8 8 TYR H H 8.069 0.020 1 12 8 8 TYR CA C 59.426 0.300 1 13 8 8 TYR CB C 38.410 0.300 1 14 8 8 TYR N N 123.496 0.300 1 15 9 9 LYS H H 7.084 0.020 1 16 9 9 LYS CA C 53.727 0.300 1 17 9 9 LYS CB C 33.845 0.300 1 18 9 9 LYS N N 127.467 0.300 1 19 10 10 VAL H H 8.208 0.020 1 20 10 10 VAL CA C 59.996 0.300 1 21 10 10 VAL CB C 32.814 0.300 1 22 10 10 VAL N N 126.518 0.300 1 23 12 12 ASP H H 7.940 0.020 1 24 12 12 ASP CA C 53.928 0.300 1 25 12 12 ASP CB C 40.103 0.300 1 26 12 12 ASP N N 119.749 0.300 1 27 13 13 ALA H H 8.914 0.020 1 28 13 13 ALA CA C 52.218 0.300 1 29 13 13 ALA CB C 18.163 0.300 1 30 13 13 ALA N N 125.795 0.300 1 31 14 14 LYS H H 8.717 0.020 1 32 14 14 LYS CA C 54.565 0.300 1 33 14 14 LYS CB C 33.109 0.300 1 34 14 14 LYS N N 122.630 0.300 1 35 15 15 LEU H H 8.282 0.020 1 36 15 15 LEU CA C 56.174 0.300 1 37 15 15 LEU N N 131.876 0.300 1 38 16 16 GLU H H 8.350 0.020 1 39 16 16 GLU CA C 54.599 0.300 1 40 16 16 GLU CB C 35.170 0.300 1 41 16 16 GLU N N 117.812 0.300 1 42 17 17 ALA H H 9.435 0.020 1 43 17 17 ALA CA C 50.308 0.300 1 44 17 17 ALA CB C 19.930 0.300 1 45 17 17 ALA N N 127.594 0.300 1 46 18 18 ILE H H 7.787 0.020 1 47 18 18 ILE CA C 58.186 0.300 1 48 18 18 ILE CB C 36.864 0.300 1 49 18 18 ILE N N 124.623 0.300 1 50 19 19 TYR H H 8.719 0.020 1 51 19 19 TYR CA C 54.364 0.300 1 52 19 19 TYR CB C 40.177 0.300 1 53 19 19 TYR N N 126.025 0.300 1 54 21 21 LYS H H 7.026 0.020 1 55 21 21 LYS CA C 55.604 0.300 1 56 21 21 LYS CB C 35.465 0.300 1 57 21 21 LYS N N 119.179 0.300 1 58 22 22 GLY H H 8.652 0.020 1 59 22 22 GLY CA C 44.240 0.300 1 60 22 22 GLY N N 109.192 0.300 1 61 23 23 LEU H H 8.225 0.020 1 62 23 23 LEU CA C 53.157 0.300 1 63 23 23 LEU CB C 46.067 0.300 1 64 23 23 LEU N N 122.395 0.300 1 65 24 24 ARG H H 8.895 0.020 1 66 24 24 ARG CA C 54.800 0.300 1 67 24 24 ARG CB C 35.023 0.300 1 68 24 24 ARG N N 129.495 0.300 1 69 25 25 VAL H H 9.057 0.020 1 70 25 25 VAL CA C 60.097 0.300 1 71 25 25 VAL CB C 34.802 0.300 1 72 25 25 VAL N N 126.096 0.300 1 73 26 26 SER H H 8.839 0.020 1 74 26 26 SER CA C 56.577 0.300 1 75 26 26 SER CB C 68.228 0.300 1 76 26 26 SER N N 118.064 0.300 1 77 27 27 VAL H H 7.848 0.020 1 78 27 27 VAL CA C 57.884 0.300 1 79 27 27 VAL CB C 34.729 0.300 1 80 27 27 VAL N N 112.519 0.300 1 81 29 29 ASP H H 8.303 0.020 1 82 29 29 ASP CA C 55.604 0.300 1 83 29 29 ASP CB C 41.682 0.300 1 84 29 29 ASP N N 117.195 0.300 1 85 31 31 GLY H H 7.943 0.020 1 86 31 31 GLY CA C 46.452 0.300 1 87 31 31 GLY N N 108.726 0.300 1 88 32 32 TYR H H 8.673 0.020 1 89 32 32 TYR CA C 53.794 0.300 1 90 32 32 TYR CB C 37.600 0.300 1 91 32 32 TYR N N 120.262 0.300 1 92 33 33 SER H H 8.871 0.020 1 93 33 33 SER CA C 57.851 0.300 1 94 33 33 SER CB C 64.254 0.300 1 95 33 33 SER N N 110.776 0.300 1 96 34 34 LEU H H 6.739 0.020 1 97 34 34 LEU CA C 55.772 0.300 1 98 34 34 LEU CB C 45.404 0.300 1 99 34 34 LEU N N 123.599 0.300 1 100 35 35 PHE H H 8.006 0.020 1 101 35 35 PHE CA C 55.303 0.300 1 102 35 35 PHE N N 123.644 0.300 1 103 36 36 ALA H H 9.416 0.020 1 104 36 36 ALA CA C 49.738 0.300 1 105 36 36 ALA CB C 23.390 0.300 1 106 36 36 ALA N N 130.104 0.300 1 107 37 37 PHE H H 7.118 0.020 1 108 37 37 PHE CA C 55.202 0.300 1 109 37 37 PHE CB C 42.312 0.300 1 110 37 37 PHE N N 117.468 0.300 1 111 38 38 HIS H H 6.594 0.020 1 112 38 38 HIS CA C 52.654 0.300 1 113 38 38 HIS CB C 28.337 0.300 1 114 38 38 HIS N N 123.099 0.300 1 115 39 39 GLY H H 8.990 0.020 1 116 39 39 GLY CA C 44.876 0.300 1 117 39 39 GLY N N 106.397 0.300 1 118 40 40 LYS H H 9.893 0.020 1 119 40 40 LYS CA C 55.839 0.300 1 120 40 40 LYS CB C 38.263 0.300 1 121 40 40 LYS N N 123.003 0.300 1 122 41 41 LEU H H 9.668 0.020 1 123 41 41 LEU CA C 54.029 0.300 1 124 41 41 LEU CB C 43.416 0.300 1 125 41 41 LEU N N 126.307 0.300 1 126 42 42 ASN H H 10.377 0.020 1 127 42 42 ASN CA C 55.604 0.300 1 128 42 42 ASN CB C 37.011 0.300 1 129 42 42 ASN N N 121.444 0.300 1 130 43 43 GLU H H 6.961 0.020 1 131 43 43 GLU CA C 55.794 0.300 1 132 43 43 GLU CB C 33.330 0.300 1 133 43 43 GLU N N 117.115 0.300 1 134 44 44 GLU H H 8.163 0.020 1 135 44 44 GLU CA C 56.912 0.300 1 136 44 44 GLU CB C 29.943 0.300 1 137 44 44 GLU N N 121.447 0.300 1 138 45 45 MET H H 8.398 0.020 1 139 45 45 MET CA C 55.102 0.300 1 140 45 45 MET CB C 29.896 0.300 1 141 45 45 MET N N 121.225 0.300 1 142 46 46 GLU H H 8.268 0.020 1 143 46 46 GLU CA C 55.943 0.300 1 144 46 46 GLU CB C 30.385 0.300 1 145 46 46 GLU N N 121.268 0.300 1 146 47 47 GLY H H 8.537 0.020 1 147 47 47 GLY CA C 44.876 0.300 1 148 47 47 GLY N N 110.818 0.300 1 149 48 48 LEU H H 8.153 0.020 1 150 48 48 LEU CA C 52.311 0.300 1 151 48 48 LEU CB C 37.747 0.300 1 152 48 48 LEU N N 125.058 0.300 1 153 49 49 GLU H H 7.421 0.020 1 154 49 49 GLU CA C 55.604 0.300 1 155 49 49 GLU CB C 31.121 0.300 1 156 49 49 GLU N N 120.942 0.300 1 157 50 50 ALA H H 8.533 0.020 1 158 50 50 ALA CA C 55.161 0.300 1 159 50 50 ALA CB C 18.605 0.300 1 160 50 50 ALA N N 122.406 0.300 1 161 51 51 GLY H H 8.017 0.020 1 162 51 51 GLY CA C 43.401 0.300 1 163 51 51 GLY N N 98.727 0.300 1 164 52 52 HIS H H 7.539 0.020 1 165 52 52 HIS CA C 57.281 0.300 1 166 52 52 HIS CB C 31.563 0.300 1 167 52 52 HIS N N 119.256 0.300 1 168 53 53 TRP H H 8.194 0.020 1 169 53 53 TRP CA C 57.817 0.300 1 170 53 53 TRP CB C 29.869 0.300 1 171 53 53 TRP N N 117.834 0.300 1 172 54 54 SER H H 8.208 0.020 1 173 54 54 SER CA C 55.906 0.300 1 174 54 54 SER CB C 62.780 0.300 1 175 54 54 SER N N 115.439 0.300 1 176 55 55 ARG H H 7.791 0.020 1 177 55 55 ARG CA C 55.571 0.300 1 178 55 55 ARG CB C 34.508 0.300 1 179 55 55 ARG N N 126.198 0.300 1 180 56 56 ASP H H 8.329 0.020 1 181 56 56 ASP CA C 53.492 0.300 1 182 56 56 ASP CB C 41.502 0.300 1 183 56 56 ASP N N 124.450 0.300 1 184 57 57 ILE H H 10.044 0.020 1 185 57 57 ILE CA C 59.560 0.300 1 186 57 57 ILE CB C 36.790 0.300 1 187 57 57 ILE N N 127.055 0.300 1 188 58 58 THR H H 8.642 0.020 1 189 58 58 THR CA C 62.276 0.300 1 190 58 58 THR CB C 69.554 0.300 1 191 58 58 THR N N 112.754 0.300 1 192 59 59 LYS H H 7.444 0.020 1 193 59 59 LYS CA C 55.604 0.300 1 194 59 59 LYS CB C 35.612 0.300 1 195 59 59 LYS N N 121.972 0.300 1 196 60 60 ALA H H 7.772 0.020 1 197 60 60 ALA CA C 51.012 0.300 1 198 60 60 ALA CB C 17.500 0.300 1 199 60 60 ALA N N 127.741 0.300 1 200 61 61 LYS H H 8.731 0.020 1 201 61 61 LYS CA C 55.236 0.300 1 202 61 61 LYS CB C 34.434 0.300 1 203 61 61 LYS N N 120.966 0.300 1 204 63 63 GLY H H 8.525 0.020 1 205 63 63 GLY CA C 45.480 0.300 1 206 63 63 GLY N N 102.641 0.300 1 207 64 64 ARG H H 7.678 0.020 1 208 64 64 ARG CA C 54.666 0.300 1 209 64 64 ARG CB C 34.254 0.300 1 210 64 64 ARG N N 119.097 0.300 1 211 65 65 TRP H H 8.938 0.020 1 212 65 65 TRP CA C 55.973 0.300 1 213 65 65 TRP CB C 29.280 0.300 1 214 65 65 TRP N N 125.276 0.300 1 215 66 66 ILE H H 8.536 0.020 1 216 66 66 ILE CA C 60.264 0.300 1 217 66 66 ILE CB C 41.502 0.300 1 218 66 66 ILE N N 121.146 0.300 1 219 67 67 PHE H H 9.587 0.020 1 220 67 67 PHE CA C 56.141 0.300 1 221 67 67 PHE CB C 41.134 0.300 1 222 67 67 PHE N N 127.684 0.300 1 223 68 68 ARG H H 7.731 0.020 1 224 68 68 ARG CA C 53.828 0.300 1 225 68 68 ARG CB C 33.919 0.300 1 226 68 68 ARG N N 125.699 0.300 1 227 71 71 ASN H H 8.293 0.020 1 228 71 71 ASN CA C 52.721 0.300 1 229 71 71 ASN CB C 40.324 0.300 1 230 71 71 ASN N N 113.555 0.300 1 231 72 72 ALA H H 6.840 0.020 1 232 72 72 ALA CA C 53.191 0.300 1 233 72 72 ALA CB C 19.267 0.300 1 234 72 72 ALA N N 122.587 0.300 1 235 73 73 GLU H H 8.664 0.020 1 236 73 73 GLU CA C 55.336 0.300 1 237 73 73 GLU CB C 29.428 0.300 1 238 73 73 GLU N N 126.589 0.300 1 239 74 74 LEU H H 8.509 0.020 1 240 74 74 LEU CA C 53.660 0.300 1 241 74 74 LEU CB C 43.858 0.300 1 242 74 74 LEU N N 126.128 0.300 1 243 75 75 LYS H H 9.137 0.020 1 244 75 75 LYS CA C 53.459 0.300 1 245 75 75 LYS CB C 35.414 0.300 1 246 75 75 LYS N N 119.891 0.300 1 247 76 76 LEU H H 8.572 0.020 1 248 76 76 LEU CA C 56.443 0.300 1 249 76 76 LEU CB C 40.987 0.300 1 250 76 76 LEU N N 120.012 0.300 1 251 77 77 GLY H H 8.888 0.020 1 252 77 77 GLY CA C 44.675 0.300 1 253 77 77 GLY N N 112.374 0.300 1 254 78 78 ASP H H 8.121 0.020 1 255 78 78 ASP CA C 55.739 0.300 1 256 78 78 ASP CB C 42.238 0.300 1 257 78 78 ASP N N 122.081 0.300 1 258 79 79 LYS H H 8.547 0.020 1 259 79 79 LYS CA C 54.129 0.300 1 260 79 79 LYS CB C 36.275 0.300 1 261 79 79 LYS N N 118.644 0.300 1 262 80 80 ILE H H 9.322 0.020 1 263 80 80 ILE CA C 59.929 0.300 1 264 80 80 ILE CB C 40.471 0.300 1 265 80 80 ILE N N 122.271 0.300 1 266 81 81 TYR H H 8.933 0.020 1 267 81 81 TYR CA C 56.443 0.300 1 268 81 81 TYR CB C 39.735 0.300 1 269 81 81 TYR N N 128.266 0.300 1 270 82 82 PHE H H 8.745 0.020 1 271 82 82 PHE CA C 56.522 0.300 1 272 82 82 PHE CB C 44.889 0.300 1 273 82 82 PHE N N 119.454 0.300 1 274 83 83 TRP H H 9.286 0.020 1 275 83 83 TRP CA C 56.208 0.300 1 276 83 83 TRP CB C 31.416 0.300 1 277 83 83 TRP N N 117.955 0.300 1 278 84 84 THR H H 8.927 0.020 1 279 84 84 THR CA C 58.286 0.300 1 280 84 84 THR CB C 71.541 0.300 1 281 84 84 THR N N 109.109 0.300 1 282 85 85 TYR H H 8.396 0.020 1 283 85 85 TYR CA C 55.504 0.300 1 284 85 85 TYR CB C 44.005 0.300 1 285 85 85 TYR N N 119.727 0.300 1 286 86 86 VAL H H 8.650 0.020 1 287 86 86 VAL CA C 57.851 0.300 1 288 86 86 VAL CB C 35.612 0.300 1 289 86 86 VAL N N 119.585 0.300 1 290 87 87 ILE H H 6.762 0.020 1 291 87 87 ILE CA C 59.326 0.300 1 292 87 87 ILE CB C 38.115 0.300 1 293 87 87 ILE N N 118.084 0.300 1 294 88 88 LYS H H 9.280 0.020 1 295 88 88 LYS CA C 54.934 0.300 1 296 88 88 LYS CB C 36.201 0.300 1 297 88 88 LYS N N 128.631 0.300 1 298 89 89 ASP H H 9.819 0.020 1 299 89 89 ASP CA C 55.269 0.300 1 300 89 89 ASP N N 130.065 0.300 1 301 90 90 GLY H H 8.148 0.020 1 302 90 90 GLY CA C 45.178 0.300 1 303 90 90 GLY N N 101.782 0.300 1 304 91 91 LEU H H 7.579 0.020 1 305 91 91 LEU CA C 53.124 0.300 1 306 91 91 LEU CB C 43.858 0.300 1 307 91 91 LEU N N 123.067 0.300 1 308 92 92 GLY H H 8.056 0.020 1 309 92 92 GLY CA C 44.206 0.300 1 310 92 92 GLY N N 107.145 0.300 1 311 93 93 TYR H H 8.730 0.020 1 312 93 93 TYR CA C 56.878 0.300 1 313 93 93 TYR CB C 42.754 0.300 1 314 93 93 TYR N N 122.473 0.300 1 315 94 94 ARG H H 8.703 0.020 1 316 94 94 ARG CA C 54.699 0.300 1 317 94 94 ARG CB C 34.802 0.300 1 318 94 94 ARG N N 116.882 0.300 1 319 95 95 GLN H H 7.818 0.020 1 320 95 95 GLN CA C 56.443 0.300 1 321 95 95 GLN CB C 27.661 0.300 1 322 95 95 GLN N N 123.291 0.300 1 323 96 96 ASP H H 8.461 0.020 1 324 96 96 ASP CA C 53.291 0.300 1 325 96 96 ASP CB C 44.005 0.300 1 326 96 96 ASP N N 124.021 0.300 1 327 97 97 ASN H H 9.005 0.020 1 328 97 97 ASN CA C 54.230 0.300 1 329 97 97 ASN CB C 36.937 0.300 1 330 97 97 ASN N N 113.468 0.300 1 331 98 98 GLY H H 8.062 0.020 1 332 98 98 GLY CA C 45.078 0.300 1 333 98 98 GLY N N 106.879 0.300 1 334 99 99 GLU H H 8.421 0.020 1 335 99 99 GLU CA C 55.839 0.300 1 336 99 99 GLU CB C 33.109 0.300 1 337 99 99 GLU N N 126.966 0.300 1 338 100 100 TRP H H 9.115 0.020 1 339 100 100 TRP CA C 57.247 0.300 1 340 100 100 TRP CB C 32.667 0.300 1 341 100 100 TRP N N 129.035 0.300 1 342 101 101 THR H H 7.370 0.020 1 343 101 101 THR CA C 60.365 0.300 1 344 101 101 THR CB C 69.995 0.300 1 345 101 101 THR N N 122.779 0.300 1 346 102 102 VAL H H 8.469 0.020 1 347 102 102 VAL CA C 62.812 0.300 1 348 102 102 VAL CB C 30.679 0.300 1 349 102 102 VAL N N 125.225 0.300 1 350 103 103 THR H H 8.831 0.020 1 351 103 103 THR CA C 61.572 0.300 1 352 103 103 THR CB C 69.848 0.300 1 353 103 103 THR N N 120.743 0.300 1 354 104 104 GLU H H 7.657 0.020 1 355 104 104 GLU CA C 54.599 0.300 1 356 104 104 GLU CB C 30.826 0.300 1 357 104 104 GLU N N 118.519 0.300 1 358 105 105 PHE H H 8.747 0.020 1 359 105 105 PHE CA C 56.409 0.300 1 360 105 105 PHE CB C 42.533 0.300 1 361 105 105 PHE N N 118.425 0.300 1 362 106 106 VAL H H 9.090 0.020 1 363 106 106 VAL CA C 59.393 0.300 1 364 106 106 VAL CB C 34.581 0.300 1 365 106 106 VAL N N 116.171 0.300 1 366 107 107 ASN H H 8.674 0.020 1 367 107 107 ASN CA C 52.118 0.300 1 368 107 107 ASN CB C 39.293 0.300 1 369 107 107 ASN N N 119.952 0.300 1 370 108 108 GLU H H 8.866 0.020 1 371 108 108 GLU CA C 58.387 0.300 1 372 108 108 GLU CB C 29.575 0.300 1 373 108 108 GLU N N 121.734 0.300 1 374 109 109 ASN H H 8.325 0.020 1 375 109 109 ASN CA C 53.090 0.300 1 376 109 109 ASN CB C 38.180 0.300 1 377 109 109 ASN N N 116.273 0.300 1 378 110 110 GLY H H 8.393 0.020 1 379 110 110 GLY CA C 45.011 0.300 1 380 110 110 GLY N N 108.144 0.300 1 381 111 111 THR H H 7.932 0.020 1 382 111 111 THR CA C 61.404 0.300 1 383 111 111 THR CB C 69.701 0.300 1 384 111 111 THR N N 114.222 0.300 1 385 112 112 LEU H H 8.319 0.020 1 386 112 112 LEU CA C 55.604 0.300 1 387 112 112 LEU CB C 42.312 0.300 1 388 112 112 LEU N N 123.759 0.300 1 389 113 113 GLU H H 8.374 0.020 1 390 113 113 GLU CA C 55.880 0.300 1 391 113 113 GLU CB C 30.311 0.300 1 392 113 113 GLU N N 123.285 0.300 1 393 114 114 HIS H H 7.962 0.020 1 394 114 114 HIS CA C 57.247 0.300 1 395 114 114 HIS CB C 30.385 0.300 1 396 114 114 HIS N N 125.532 0.300 1 stop_ save_