data_27668 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 15N Chemical Shift Assignments for bovine BLG A at pH 2.65, 3.2, and 4.0 ; _BMRB_accession_number 27668 _BMRB_flat_file_name bmr27668.str _Entry_type original _Submission_date 2018-10-30 _Accession_date 2018-10-30 _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 Birch Johnny . . 2 Nielsen Lau D. . 3 Stender Emil . . 4 Svensson Birte . . 5 Kragelund Birthe B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 419 "15N chemical shifts" 419 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-20 update BMRB 'update entry citation' 2019-04-25 update author 'update chemical shifts' 2018-11-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 10010 'bovine beta-lactoglobulin A34C mutant' stop_ _Original_release_date 2018-10-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Alginate Trisaccharide Binding Sites on the Surface of beta-Lactoglobulin Identified by NMR Spectroscopy: Implications for Molecular Network Formation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31459761 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stender Emil . . 2 Birch Johnny . . 3 Kjeldsen Christian . . 4 Nielsen Lau D. . 5 Duus Jens O. . 6 Kragelund Birthe B. . 7 Svensson Birte . . stop_ _Journal_abbreviation 'ACS Omega' _Journal_name_full 'ACS omega' _Journal_volume 4 _Journal_issue 4 _Journal_ISSN 2470-1343 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6165 _Page_last 6174 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BLG A dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BLG A' $BLG_A 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_BLG_A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BLG_A _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; AYVTQTMKGLDIQKVAGTWY SLAMAASDISLLDAQSAPLR VYVEELKPTPEGDLEILLQK WENDECAQKKIIAEKTKIPA VFKIDALNENKVLVLDTDYK KYLLFCMENSAEPEQSLVCQ CLVRTPEVDDEALEKFDKAL KALPMHIRLSFNPTQLEEQC HI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 TYR 3 3 VAL 4 4 THR 5 5 GLN 6 6 THR 7 7 MET 8 8 LYS 9 9 GLY 10 10 LEU 11 11 ASP 12 12 ILE 13 13 GLN 14 14 LYS 15 15 VAL 16 16 ALA 17 17 GLY 18 18 THR 19 19 TRP 20 20 TYR 21 21 SER 22 22 LEU 23 23 ALA 24 24 MET 25 25 ALA 26 26 ALA 27 27 SER 28 28 ASP 29 29 ILE 30 30 SER 31 31 LEU 32 32 LEU 33 33 ASP 34 34 ALA 35 35 GLN 36 36 SER 37 37 ALA 38 38 PRO 39 39 LEU 40 40 ARG 41 41 VAL 42 42 TYR 43 43 VAL 44 44 GLU 45 45 GLU 46 46 LEU 47 47 LYS 48 48 PRO 49 49 THR 50 50 PRO 51 51 GLU 52 52 GLY 53 53 ASP 54 54 LEU 55 55 GLU 56 56 ILE 57 57 LEU 58 58 LEU 59 59 GLN 60 60 LYS 61 61 TRP 62 62 GLU 63 63 ASN 64 64 ASP 65 65 GLU 66 66 CYS 67 67 ALA 68 68 GLN 69 69 LYS 70 70 LYS 71 71 ILE 72 72 ILE 73 73 ALA 74 74 GLU 75 75 LYS 76 76 THR 77 77 LYS 78 78 ILE 79 79 PRO 80 80 ALA 81 81 VAL 82 82 PHE 83 83 LYS 84 84 ILE 85 85 ASP 86 86 ALA 87 87 LEU 88 88 ASN 89 89 GLU 90 90 ASN 91 91 LYS 92 92 VAL 93 93 LEU 94 94 VAL 95 95 LEU 96 96 ASP 97 97 THR 98 98 ASP 99 99 TYR 100 100 LYS 101 101 LYS 102 102 TYR 103 103 LEU 104 104 LEU 105 105 PHE 106 106 CYS 107 107 MET 108 108 GLU 109 109 ASN 110 110 SER 111 111 ALA 112 112 GLU 113 113 PRO 114 114 GLU 115 115 GLN 116 116 SER 117 117 LEU 118 118 VAL 119 119 CYS 120 120 GLN 121 121 CYS 122 122 LEU 123 123 VAL 124 124 ARG 125 125 THR 126 126 PRO 127 127 GLU 128 128 VAL 129 129 ASP 130 130 ASP 131 131 GLU 132 132 ALA 133 133 LEU 134 134 GLU 135 135 LYS 136 136 PHE 137 137 ASP 138 138 LYS 139 139 ALA 140 140 LEU 141 141 LYS 142 142 ALA 143 143 LEU 144 144 PRO 145 145 MET 146 146 HIS 147 147 ILE 148 148 ARG 149 149 LEU 150 150 SER 151 151 PHE 152 152 ASN 153 153 PRO 154 154 THR 155 155 GLN 156 156 LEU 157 157 GLU 158 158 GLU 159 159 GLN 160 160 CYS 161 161 HIS 162 162 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 1DV9 'STRUCTURAL CHANGES ACCOMPANYING PH-INDUCED DISSOCIATION OF THE B-LACTOGLOBULIN DIMER' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BLG_A cow 9913 Eukaryota Metazoa Bos taurus 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 $BLG_A 'recombinant technology' . Pichia pastoris . 'pPICZ A' 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 $BLG_A 400 uM '[1H, 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'ammonium sulfate' 1 % '[U-99% 15N]' DSS 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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 . mM pH 2.65 . pH pressure 1 . atm temperature 273 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 3.2 . pH pressure 1 . atm temperature 273 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 4.0 . pH pressure 1 . atm temperature 273 . 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 H 1 protons ppm 0 internal direct . . . 1 DSS N 15 nitrogen ppm 0 internal direct . . . 0.10132922 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' 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 'BLG 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 1 1 ALA H H 8.15643 . . 2 1 1 ALA N N 124.59457 . . 3 3 3 VAL H H 7.97976 . . 4 3 3 VAL N N 120.01245 . . 5 4 4 THR H H 8.06521 . . 6 4 4 THR N N 115.78378 . . 7 5 5 GLN H H 8.27049 . . 8 5 5 GLN N N 123.73629 . . 9 6 6 THR H H 7.76571 . . 10 6 6 THR N N 111.52551 . . 11 7 7 MET H H 7.74564 . . 12 7 7 MET N N 120.26974 . . 13 8 8 LYS H H 8.67298 . . 14 8 8 LYS N N 127.64492 . . 15 9 9 GLY H H 8.56641 . . 16 9 9 GLY N N 109.49763 . . 17 10 10 LEU H H 7.55358 . . 18 10 10 LEU N N 120.10352 . . 19 11 11 ASP H H 8.62551 . . 20 11 11 ASP N N 126.75372 . . 21 12 12 ILE H H 8.87636 . . 22 12 12 ILE N N 122.89097 . . 23 13 13 GLN H H 7.96968 . . 24 13 13 GLN N N 117.15618 . . 25 14 14 LYS H H 7.21671 . . 26 14 14 LYS N N 113.68596 . . 27 15 15 VAL H H 7.39204 . . 28 15 15 VAL N N 110.22847 . . 29 16 16 ALA H H 6.80901 . . 30 16 16 ALA N N 120.91933 . . 31 17 17 GLY H H 9.18302 . . 32 17 17 GLY N N 110.13558 . . 33 18 18 THR H H 8.39327 . . 34 18 18 THR N N 118.41612 . . 35 19 19 TRP H H 7.45290 . . 36 19 19 TRP N N 124.02397 . . 37 20 20 TYR H H 9.11053 . . 38 20 20 TYR N N 112.15955 . . 39 21 21 SER H H 9.90568 . . 40 21 21 SER N N 119.46518 . . 41 23 23 ALA H H 7.71380 . . 42 23 23 ALA N N 114.89985 . . 43 24 24 MET H H 9.07795 . . 44 24 24 MET N N 114.80677 . . 45 25 25 ALA H H 9.30156 . . 46 25 25 ALA N N 123.46674 . . 47 26 26 ALA H H 8.31501 . . 48 26 26 ALA N N 119.74171 . . 49 27 27 SER H H 8.36407 . . 50 27 27 SER N N 116.24497 . . 51 28 28 ASP H H 7.86704 . . 52 28 28 ASP N N 119.73086 . . 53 29 29 ILE H H 8.80004 . . 54 29 29 ILE N N 124.28563 . . 55 30 30 SER H H 7.95915 . . 56 30 30 SER N N 114.17990 . . 57 31 31 LEU H H 7.59857 . . 58 31 31 LEU N N 117.04072 . . 59 32 32 LEU H H 7.05274 . . 60 32 32 LEU N N 111.20543 . . 61 33 33 ASP H H 7.82273 . . 62 33 33 ASP N N 118.36838 . . 63 34 34 ALA H H 7.63220 . . 64 34 34 ALA N N 120.67853 . . 65 35 35 GLN H H 9.05349 . . 66 35 35 GLN N N 121.49879 . . 67 36 36 SER H H 7.71685 . . 68 36 36 SER N N 107.56900 . . 69 37 37 ALA H H 7.53554 . . 70 37 37 ALA N N 126.24552 . . 71 39 39 LEU H H 7.76613 . . 72 39 39 LEU N N 114.01620 . . 73 40 40 ARG H H 7.41082 . . 74 40 40 ARG N N 122.27551 . . 75 41 41 VAL H H 6.95828 . . 76 41 41 VAL N N 117.00004 . . 77 42 42 TYR H H 8.60354 . . 78 42 42 TYR N N 120.57414 . . 79 43 43 VAL H H 8.62631 . . 80 43 43 VAL N N 125.16272 . . 81 44 44 GLU H H 8.96265 . . 82 44 44 GLU N N 121.77781 . . 83 45 45 GLU H H 7.61860 . . 84 45 45 GLU N N 116.28568 . . 85 46 46 LEU H H 8.66171 . . 86 46 46 LEU N N 122.04242 . . 87 47 47 LYS H H 9.15635 . . 88 47 47 LYS N N 122.45109 . . 89 49 49 THR H H 8.59743 . . 90 49 49 THR N N 114.30182 . . 91 51 51 GLU H H 7.52999 . . 92 51 51 GLU N N 112.07266 . . 93 52 52 GLY H H 8.28883 . . 94 52 52 GLY N N 107.02147 . . 95 53 53 ASP H H 7.18097 . . 96 53 53 ASP N N 115.19377 . . 97 54 54 LEU H H 8.80694 . . 98 54 54 LEU N N 119.43935 . . 99 55 55 GLU H H 8.62626 . . 100 55 55 GLU N N 126.06353 . . 101 56 56 ILE H H 9.26173 . . 102 56 56 ILE N N 126.51533 . . 103 57 57 LEU H H 8.48296 . . 104 57 57 LEU N N 128.60409 . . 105 58 58 LEU H H 9.06596 . . 106 58 58 LEU N N 123.39194 . . 107 59 59 GLN H H 9.23144 . . 108 59 59 GLN N N 117.71479 . . 109 60 60 LYS H H 8.95487 . . 110 60 60 LYS N N 121.50446 . . 111 61 61 TRP H H 9.74021 . . 112 61 61 TRP N N 129.85600 . . 113 62 62 GLU H H 8.74944 . . 114 62 62 GLU N N 127.25120 . . 115 64 64 ASP H H 8.13732 . . 116 64 64 ASP N N 110.99922 . . 117 65 65 GLU H H 6.75262 . . 118 65 65 GLU N N 114.52271 . . 119 66 66 CYS H H 8.67315 . . 120 66 66 CYS N N 120.24011 . . 121 67 67 ALA H H 8.97902 . . 122 67 67 ALA N N 133.48986 . . 123 68 68 GLN H H 8.38211 . . 124 68 68 GLN N N 118.63500 . . 125 69 69 LYS H H 9.15043 . . 126 69 69 LYS N N 123.69047 . . 127 70 70 LYS H H 8.54061 . . 128 70 70 LYS N N 123.68471 . . 129 71 71 ILE H H 8.95827 . . 130 71 71 ILE N N 124.10149 . . 131 72 72 ILE H H 8.49789 . . 132 72 72 ILE N N 125.44535 . . 133 73 73 ALA H H 9.26399 . . 134 73 73 ALA N N 133.29749 . . 135 74 74 GLU H H 9.43616 . . 136 74 74 GLU N N 124.51227 . . 137 75 75 LYS H H 8.48430 . . 138 75 75 LYS N N 123.14929 . . 139 76 76 THR H H 8.44455 . . 140 76 76 THR N N 112.58423 . . 141 77 77 LYS H H 8.27246 . . 142 77 77 LYS N N 116.45166 . . 143 78 78 ILE H H 7.97976 . . 144 78 78 ILE N N 122.29466 . . 145 80 80 ALA H H 7.85116 . . 146 80 80 ALA N N 115.21697 . . 147 81 81 VAL H H 7.28916 . . 148 81 81 VAL N N 117.36832 . . 149 82 82 PHE H H 9.53946 . . 150 82 82 PHE N N 126.27510 . . 151 83 83 LYS H H 9.48594 . . 152 83 83 LYS N N 123.23708 . . 153 84 84 ILE H H 7.76460 . . 154 84 84 ILE N N 116.44367 . . 155 85 85 ASP H H 8.79959 . . 156 85 85 ASP N N 119.19504 . . 157 86 86 ALA H H 7.22122 . . 158 86 86 ALA N N 121.93170 . . 159 87 87 LEU H H 9.01196 . . 160 87 87 LEU N N 114.53929 . . 161 88 88 ASN H H 8.68998 . . 162 88 88 ASN N N 111.24401 . . 163 89 89 GLU H H 8.24907 . . 164 89 89 GLU N N 117.30760 . . 165 90 90 ASN H H 9.10042 . . 166 90 90 ASN N N 115.65692 . . 167 91 91 LYS H H 8.55857 . . 168 91 91 LYS N N 121.60317 . . 169 92 92 VAL H H 9.05227 . . 170 92 92 VAL N N 121.20367 . . 171 93 93 LEU H H 9.42034 . . 172 93 93 LEU N N 125.99242 . . 173 94 94 VAL H H 9.32618 . . 174 94 94 VAL N N 123.87681 . . 175 95 95 LEU H H 8.45414 . . 176 95 95 LEU N N 128.07003 . . 177 96 96 ASP H H 7.20926 . . 178 96 96 ASP N N 109.88994 . . 179 97 97 THR H H 7.78325 . . 180 97 97 THR N N 118.87714 . . 181 98 98 ASP H H 6.77772 . . 182 98 98 ASP N N 123.01581 . . 183 99 99 TYR H H 9.03330 . . 184 99 99 TYR N N 117.73471 . . 185 100 100 LYS H H 9.00755 . . 186 100 100 LYS N N 119.52930 . . 187 101 101 LYS H H 9.15464 . . 188 101 101 LYS N N 118.65722 . . 189 102 102 TYR H H 8.92234 . . 190 102 102 TYR N N 116.31300 . . 191 103 103 LEU H H 9.15925 . . 192 103 103 LEU N N 125.00071 . . 193 104 104 LEU H H 9.36536 . . 194 104 104 LEU N N 124.93146 . . 195 105 105 PHE H H 8.88840 . . 196 105 105 PHE N N 121.27987 . . 197 106 106 CYS H H 9.65116 . . 198 106 106 CYS N N 117.24096 . . 199 107 107 MET H H 9.91503 . . 200 107 107 MET N N 120.66742 . . 201 108 108 GLU H H 8.39827 . . 202 108 108 GLU N N 113.70119 . . 203 109 109 ASN H H 9.38562 . . 204 109 109 ASN N N 120.15087 . . 205 110 110 SER H H 9.80254 . . 206 110 110 SER N N 122.14229 . . 207 111 111 ALA H H 8.31275 . . 208 111 111 ALA N N 123.40470 . . 209 112 112 GLU H H 7.74809 . . 210 112 112 GLU N N 113.49337 . . 211 114 114 GLU H H 8.29799 . . 212 114 114 GLU N N 114.63679 . . 213 115 115 GLN H H 7.80129 . . 214 115 115 GLN N N 115.90362 . . 215 116 116 SER H H 7.55463 . . 216 116 116 SER N N 109.57738 . . 217 117 117 LEU H H 7.23519 . . 218 117 117 LEU N N 126.29035 . . 219 118 118 VAL H H 8.81571 . . 220 118 118 VAL N N 126.07323 . . 221 119 119 CYS H H 9.40553 . . 222 119 119 CYS N N 121.91887 . . 223 120 120 GLN H H 9.34365 . . 224 120 120 GLN N N 118.52032 . . 225 121 121 CYS H H 7.85199 . . 226 121 121 CYS N N 119.99707 . . 227 122 122 LEU H H 9.73782 . . 228 122 122 LEU N N 128.50498 . . 229 123 123 VAL H H 9.45469 . . 230 123 123 VAL N N 111.39529 . . 231 124 124 ARG H H 7.92677 . . 232 124 124 ARG N N 119.67240 . . 233 125 125 THR H H 7.50602 . . 234 125 125 THR N N 108.37344 . . 235 127 127 GLU H H 8.28294 . . 236 127 127 GLU N N 119.97738 . . 237 128 128 VAL H H 8.34333 . . 238 128 128 VAL N N 119.18327 . . 239 130 130 ASP H H 9.09900 . . 240 130 130 ASP N N 123.73890 . . 241 131 131 GLU H H 8.36184 . . 242 131 131 GLU N N 121.06660 . . 243 132 132 ALA H H 7.59799 . . 244 132 132 ALA N N 121.35079 . . 245 133 133 LEU H H 7.71521 . . 246 133 133 LEU N N 116.01863 . . 247 134 134 GLU H H 8.03054 . . 248 134 134 GLU N N 119.45250 . . 249 136 136 PHE H H 8.51721 . . 250 136 136 PHE N N 122.04570 . . 251 137 137 ASP H H 8.74399 . . 252 137 137 ASP N N 117.15873 . . 253 138 138 LYS H H 7.95303 . . 254 138 138 LYS N N 119.18843 . . 255 139 139 ALA H H 7.82219 . . 256 139 139 ALA N N 121.80212 . . 257 140 140 LEU H H 7.49697 . . 258 140 140 LEU N N 114.34566 . . 259 141 141 LYS H H 7.15578 . . 260 141 141 LYS N N 119.60654 . . 261 142 142 ALA H H 7.76552 . . 262 142 142 ALA N N 118.55108 . . 263 143 143 LEU H H 7.71446 . . 264 143 143 LEU N N 119.62585 . . 265 145 145 MET H H 7.67849 . . 266 145 145 MET N N 118.05021 . . 267 146 146 HIS H H 8.79564 . . 268 146 146 HIS N N 117.93502 . . 269 147 147 ILE H H 7.71735 . . 270 147 147 ILE N N 117.37379 . . 271 148 148 ARG H H 8.35305 . . 272 148 148 ARG N N 126.59549 . . 273 149 149 LEU H H 9.14659 . . 274 149 149 LEU N N 123.95753 . . 275 150 150 SER H H 8.21158 . . 276 150 150 SER N N 116.34615 . . 277 151 151 PHE H H 8.10716 . . 278 151 151 PHE N N 119.46492 . . 279 152 152 ASN H H 8.75075 . . 280 152 152 ASN N N 119.31841 . . 281 154 154 THR H H 8.12013 . . 282 154 154 THR N N 115.18378 . . 283 155 155 GLN H H 8.32129 . . 284 155 155 GLN N N 122.27974 . . 285 156 156 LEU H H 8.13395 . . 286 156 156 LEU N N 122.20493 . . 287 159 159 GLN H H 8.24512 . . 288 159 159 GLN N N 124.51387 . . 289 161 161 HIS H H 8.16857 . . 290 161 161 HIS N N 120.24843 . . stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'BLG 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 1 1 ALA H H 8.15513 . . 2 1 1 ALA N N 124.61509 . . 3 3 3 VAL H H 7.97976 . . 4 3 3 VAL N N 120.01245 . . 5 4 4 THR H H 8.07377 . . 6 4 4 THR N N 115.85178 . . 7 5 5 GLN H H 8.27416 . . 8 5 5 GLN N N 123.79283 . . 9 6 6 THR H H 7.75877 . . 10 6 6 THR N N 111.52881 . . 11 7 7 MET H H 7.75802 . . 12 7 7 MET N N 120.30241 . . 13 8 8 LYS H H 8.66832 . . 14 8 8 LYS N N 127.59531 . . 15 9 9 GLY H H 8.54738 . . 16 9 9 GLY N N 109.45806 . . 17 10 10 LEU H H 7.55047 . . 18 10 10 LEU N N 120.19727 . . 19 11 11 ASP H H 8.60635 . . 20 11 11 ASP N N 127.24754 . . 21 12 12 ILE H H 8.80935 . . 22 12 12 ILE N N 122.62769 . . 23 13 13 GLN H H 8.02549 . . 24 13 13 GLN N N 117.10009 . . 25 14 14 LYS H H 7.25340 . . 26 14 14 LYS N N 114.02962 . . 27 15 15 VAL H H 7.36911 . . 28 15 15 VAL N N 110.25301 . . 29 16 16 ALA H H 6.80216 . . 30 16 16 ALA N N 120.89169 . . 31 17 17 GLY H H 9.19018 . . 32 17 17 GLY N N 110.17013 . . 33 18 18 THR H H 8.37692 . . 34 18 18 THR N N 118.36636 . . 35 19 19 TRP H H 7.45330 . . 36 19 19 TRP N N 123.93133 . . 37 20 20 TYR H H 9.14050 . . 38 20 20 TYR N N 112.24236 . . 39 21 21 SER H H 9.90534 . . 40 21 21 SER N N 119.52877 . . 41 23 23 ALA H H 7.71961 . . 42 23 23 ALA N N 114.87718 . . 43 24 24 MET H H 9.07870 . . 44 24 24 MET N N 114.77261 . . 45 25 25 ALA H H 9.31257 . . 46 25 25 ALA N N 123.56655 . . 47 26 26 ALA H H 8.30617 . . 48 26 26 ALA N N 119.70007 . . 49 27 27 SER H H 8.40461 . . 50 27 27 SER N N 116.21134 . . 51 28 28 ASP H H 7.87465 . . 52 28 28 ASP N N 119.69808 . . 53 29 29 ILE H H 8.75492 . . 54 29 29 ILE N N 124.25854 . . 55 31 31 LEU H H 7.61089 . . 56 31 31 LEU N N 117.39987 . . 57 33 33 ASP H H 7.83102 . . 58 33 33 ASP N N 118.36643 . . 59 34 34 ALA H H 7.64566 . . 60 34 34 ALA N N 120.76635 . . 61 35 35 GLN H H 9.03496 . . 62 35 35 GLN N N 121.48303 . . 63 36 36 SER H H 7.69235 . . 64 36 36 SER N N 107.48236 . . 65 37 37 ALA H H 7.53841 . . 66 37 37 ALA N N 126.28186 . . 67 39 39 LEU H H 7.73799 . . 68 39 39 LEU N N 114.01897 . . 69 40 40 ARG H H 7.39867 . . 70 40 40 ARG N N 122.19489 . . 71 41 41 VAL H H 6.96701 . . 72 41 41 VAL N N 117.02184 . . 73 42 42 TYR H H 8.60983 . . 74 42 42 TYR N N 120.58926 . . 75 43 43 VAL H H 8.62577 . . 76 43 43 VAL N N 125.20605 . . 77 44 44 GLU H H 8.97813 . . 78 44 44 GLU N N 121.87268 . . 79 45 45 GLU H H 7.62164 . . 80 45 45 GLU N N 116.32879 . . 81 46 46 LEU H H 8.65857 . . 82 46 46 LEU N N 122.04197 . . 83 47 47 LYS H H 9.16081 . . 84 47 47 LYS N N 122.52858 . . 85 49 49 THR H H 8.62227 . . 86 49 49 THR N N 114.47029 . . 87 51 51 GLU H H 7.52013 . . 88 51 51 GLU N N 112.09662 . . 89 52 52 GLY H H 8.28401 . . 90 52 52 GLY N N 107.30931 . . 91 53 53 ASP H H 7.18226 . . 92 53 53 ASP N N 115.61529 . . 93 54 54 LEU H H 8.82055 . . 94 54 54 LEU N N 119.38733 . . 95 55 55 GLU H H 8.61764 . . 96 55 55 GLU N N 126.01588 . . 97 56 56 ILE H H 9.25039 . . 98 56 56 ILE N N 126.40748 . . 99 57 57 LEU H H 8.48990 . . 100 57 57 LEU N N 128.60278 . . 101 58 58 LEU H H 9.05558 . . 102 58 58 LEU N N 123.35729 . . 103 59 59 GLN H H 9.22654 . . 104 59 59 GLN N N 117.71421 . . 105 60 60 LYS H H 8.94218 . . 106 60 60 LYS N N 121.49306 . . 107 61 61 TRP H H 9.74330 . . 108 61 61 TRP N N 129.80822 . . 109 62 62 GLU H H 8.73756 . . 110 62 62 GLU N N 127.39004 . . 111 64 64 ASP H H 8.13519 . . 112 64 64 ASP N N 110.94430 . . 113 65 65 GLU H H 6.75853 . . 114 65 65 GLU N N 114.53201 . . 115 66 66 CYS H H 8.64547 . . 116 66 66 CYS N N 120.04209 . . 117 67 67 ALA H H 8.99387 . . 118 67 67 ALA N N 133.50454 . . 119 68 68 GLN H H 8.37675 . . 120 68 68 GLN N N 118.73442 . . 121 69 69 LYS H H 9.15749 . . 122 69 69 LYS N N 123.57484 . . 123 70 70 LYS H H 8.50734 . . 124 70 70 LYS N N 123.43708 . . 125 71 71 ILE H H 8.96885 . . 126 71 71 ILE N N 124.28611 . . 127 72 72 ILE H H 8.49311 . . 128 72 72 ILE N N 125.44893 . . 129 73 73 ALA H H 9.26928 . . 130 73 73 ALA N N 133.45872 . . 131 74 74 GLU H H 9.41377 . . 132 74 74 GLU N N 124.65140 . . 133 75 75 LYS H H 8.64130 . . 134 75 75 LYS N N 123.30645 . . 135 76 76 THR H H 8.42636 . . 136 76 76 THR N N 112.56504 . . 137 77 77 LYS H H 8.26438 . . 138 77 77 LYS N N 116.42099 . . 139 78 78 ILE H H 7.97836 . . 140 78 78 ILE N N 122.32379 . . 141 80 80 ALA H H 7.90423 . . 142 80 80 ALA N N 115.37252 . . 143 81 81 VAL H H 7.27416 . . 144 81 81 VAL N N 117.31658 . . 145 82 82 PHE H H 9.54668 . . 146 82 82 PHE N N 126.39206 . . 147 83 83 LYS H H 9.49915 . . 148 83 83 LYS N N 123.39761 . . 149 84 84 ILE H H 7.76509 . . 150 84 84 ILE N N 116.44173 . . 151 85 85 ASP H H 8.77281 . . 152 85 85 ASP N N 119.40255 . . 153 86 86 ALA H H 7.20700 . . 154 86 86 ALA N N 121.92035 . . 155 87 87 LEU H H 9.00698 . . 156 87 87 LEU N N 114.55033 . . 157 88 88 ASN H H 8.69559 . . 158 88 88 ASN N N 111.25047 . . 159 89 89 GLU H H 8.25492 . . 160 89 89 GLU N N 117.29005 . . 161 90 90 ASN H H 9.09337 . . 162 90 90 ASN N N 115.64699 . . 163 91 91 LYS H H 8.51871 . . 164 91 91 LYS N N 121.62589 . . 165 92 92 VAL H H 9.03542 . . 166 92 92 VAL N N 121.21825 . . 167 93 93 LEU H H 9.42337 . . 168 93 93 LEU N N 126.00143 . . 169 94 94 VAL H H 9.31204 . . 170 94 94 VAL N N 123.84757 . . 171 95 95 LEU H H 8.46749 . . 172 95 95 LEU N N 128.08836 . . 173 96 96 ASP H H 7.20874 . . 174 96 96 ASP N N 110.24684 . . 175 97 97 THR H H 7.77419 . . 176 97 97 THR N N 119.13151 . . 177 98 98 ASP H H 6.80552 . . 178 98 98 ASP N N 123.40153 . . 179 99 99 TYR H H 9.01859 . . 180 99 99 TYR N N 117.59431 . . 181 100 100 LYS H H 9.00026 . . 182 100 100 LYS N N 119.78519 . . 183 101 101 LYS H H 9.44447 . . 184 101 101 LYS N N 119.60910 . . 185 102 102 TYR H H 9.06486 . . 186 102 102 TYR N N 116.68933 . . 187 103 103 LEU H H 9.15197 . . 188 103 103 LEU N N 124.92789 . . 189 104 104 LEU H H 9.38843 . . 190 104 104 LEU N N 124.80660 . . 191 105 105 PHE H H 8.87907 . . 192 105 105 PHE N N 121.26717 . . 193 106 106 CYS H H 9.64314 . . 194 106 106 CYS N N 117.21186 . . 195 107 107 MET H H 9.91728 . . 196 107 107 MET N N 120.66223 . . 197 108 108 GLU H H 8.38997 . . 198 108 108 GLU N N 113.64805 . . 199 109 109 ASN H H 9.36177 . . 200 109 109 ASN N N 120.15313 . . 201 110 110 SER H H 9.80840 . . 202 110 110 SER N N 122.11422 . . 203 111 111 ALA H H 8.30707 . . 204 111 111 ALA N N 123.43182 . . 205 112 112 GLU H H 7.75128 . . 206 112 112 GLU N N 113.53265 . . 207 114 114 GLU H H 8.34758 . . 208 114 114 GLU N N 114.66934 . . 209 115 115 GLN H H 7.78226 . . 210 115 115 GLN N N 116.03969 . . 211 116 116 SER H H 7.56355 . . 212 116 116 SER N N 109.70106 . . 213 117 117 LEU H H 7.23706 . . 214 117 117 LEU N N 126.42386 . . 215 118 118 VAL H H 8.80504 . . 216 118 118 VAL N N 125.97194 . . 217 119 119 CYS H H 9.40513 . . 218 119 119 CYS N N 121.93220 . . 219 120 120 GLN H H 9.33889 . . 220 120 120 GLN N N 118.50733 . . 221 121 121 CYS H H 7.81454 . . 222 121 121 CYS N N 120.03302 . . 223 122 122 LEU H H 9.74036 . . 224 122 122 LEU N N 128.53132 . . 225 123 123 VAL H H 9.44376 . . 226 123 123 VAL N N 111.46400 . . 227 124 124 ARG H H 7.92638 . . 228 124 124 ARG N N 119.72512 . . 229 125 125 THR H H 7.54258 . . 230 125 125 THR N N 108.41475 . . 231 127 127 GLU H H 8.31864 . . 232 127 127 GLU N N 120.19277 . . 233 128 128 VAL H H 8.34442 . . 234 128 128 VAL N N 119.20428 . . 235 130 130 ASP H H 9.04431 . . 236 130 130 ASP N N 124.29034 . . 237 131 131 GLU H H 8.34602 . . 238 131 131 GLU N N 121.09824 . . 239 132 132 ALA H H 7.70245 . . 240 132 132 ALA N N 121.78438 . . 241 133 133 LEU H H 7.70998 . . 242 133 133 LEU N N 116.18180 . . 243 134 134 GLU H H 8.03682 . . 244 134 134 GLU N N 119.47686 . . 245 136 136 PHE H H 8.51783 . . 246 136 136 PHE N N 122.02446 . . 247 137 137 ASP H H 8.67915 . . 248 137 137 ASP N N 117.51608 . . 249 138 138 LYS H H 7.95517 . . 250 138 138 LYS N N 119.25589 . . 251 139 139 ALA H H 7.83725 . . 252 139 139 ALA N N 121.77228 . . 253 140 140 LEU H H 7.49509 . . 254 140 140 LEU N N 114.50779 . . 255 141 141 LYS H H 7.16443 . . 256 141 141 LYS N N 119.71954 . . 257 142 142 ALA H H 7.76552 . . 258 142 142 ALA N N 118.55108 . . 259 143 143 LEU H H 7.72264 . . 260 143 143 LEU N N 119.70610 . . 261 145 145 MET H H 7.66630 . . 262 145 145 MET N N 118.00383 . . 263 146 146 HIS H H 8.80079 . . 264 146 146 HIS N N 117.86712 . . 265 147 147 ILE H H 7.70757 . . 266 147 147 ILE N N 117.38947 . . 267 148 148 ARG H H 8.34201 . . 268 148 148 ARG N N 126.81059 . . 269 149 149 LEU H H 9.17326 . . 270 149 149 LEU N N 124.42639 . . 271 150 150 SER H H 8.21490 . . 272 150 150 SER N N 116.35151 . . 273 151 151 PHE H H 8.11461 . . 274 151 151 PHE N N 119.50215 . . 275 152 152 ASN H H 8.74017 . . 276 152 152 ASN N N 119.22945 . . 277 154 154 THR H H 8.12042 . . 278 154 154 THR N N 115.19901 . . 279 155 155 GLN H H 8.32252 . . 280 155 155 GLN N N 122.29297 . . 281 156 156 LEU H H 8.13322 . . 282 156 156 LEU N N 122.21533 . . 283 159 159 GLN H H 8.26104 . . 284 159 159 GLN N N 124.67442 . . 285 161 161 HIS H H 8.17986 . . 286 161 161 HIS N N 120.29359 . . stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_3 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'BLG 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 1 1 ALA H H 8.15249 . . 2 1 1 ALA N N 124.60326 . . 3 3 3 VAL H H 7.98107 . . 4 3 3 VAL N N 120.03856 . . 5 4 4 THR H H 8.09869 . . 6 4 4 THR N N 115.95741 . . 7 5 5 GLN H H 8.28391 . . 8 5 5 GLN N N 123.95411 . . 9 6 6 THR H H 7.67919 . . 10 6 6 THR N N 111.31498 . . 11 7 7 MET H H 7.76694 . . 12 7 7 MET N N 120.36760 . . 13 8 8 LYS H H 8.65340 . . 14 8 8 LYS N N 127.46774 . . 15 9 9 GLY H H 8.51810 . . 16 9 9 GLY N N 109.36035 . . 17 10 10 LEU H H 7.56091 . . 18 10 10 LEU N N 120.36403 . . 19 11 11 ASP H H 8.58382 . . 20 11 11 ASP N N 127.84335 . . 21 12 12 ILE H H 8.72169 . . 22 12 12 ILE N N 122.32619 . . 23 13 13 GLN H H 8.09266 . . 24 13 13 GLN N N 117.00496 . . 25 14 14 LYS H H 7.29469 . . 26 14 14 LYS N N 114.37819 . . 27 15 15 VAL H H 7.34103 . . 28 15 15 VAL N N 110.25788 . . 29 16 16 ALA H H 6.78999 . . 30 16 16 ALA N N 120.80588 . . 31 17 17 GLY H H 9.18423 . . 32 17 17 GLY N N 110.34642 . . 33 18 18 THR H H 8.33500 . . 34 18 18 THR N N 118.06956 . . 35 19 19 TRP H H 7.47022 . . 36 19 19 TRP N N 123.83260 . . 37 20 20 TYR H H 9.16544 . . 38 20 20 TYR N N 112.35702 . . 39 21 21 SER H H 9.91494 . . 40 21 21 SER N N 119.60535 . . 41 23 23 ALA H H 7.79469 . . 42 23 23 ALA N N 115.09779 . . 43 24 24 MET H H 9.06504 . . 44 24 24 MET N N 114.67118 . . 45 25 25 ALA H H 9.32300 . . 46 25 25 ALA N N 123.69839 . . 47 28 28 ASP H H 7.87439 . . 48 28 28 ASP N N 119.58716 . . 49 31 31 LEU H H 7.62560 . . 50 31 31 LEU N N 117.82315 . . 51 35 35 GLN H H 9.02323 . . 52 35 35 GLN N N 121.55195 . . 53 36 36 SER H H 7.52043 . . 54 36 36 SER N N 106.86304 . . 55 37 37 ALA H H 7.55159 . . 56 37 37 ALA N N 126.31237 . . 57 39 39 LEU H H 7.71813 . . 58 39 39 LEU N N 114.00216 . . 59 40 40 ARG H H 7.33993 . . 60 40 40 ARG N N 122.08390 . . 61 41 41 VAL H H 6.93893 . . 62 41 41 VAL N N 117.04670 . . 63 42 42 TYR H H 8.61541 . . 64 42 42 TYR N N 120.42029 . . 65 43 43 VAL H H 8.62408 . . 66 43 43 VAL N N 125.05276 . . 67 44 44 GLU H H 8.99272 . . 68 44 44 GLU N N 122.04012 . . 69 45 45 GLU H H 7.63043 . . 70 45 45 GLU N N 116.53426 . . 71 46 46 LEU H H 8.64507 . . 72 46 46 LEU N N 122.02050 . . 73 47 47 LYS H H 9.17446 . . 74 47 47 LYS N N 122.72570 . . 75 49 49 THR H H 8.66702 . . 76 49 49 THR N N 114.80277 . . 77 51 51 GLU H H 7.51061 . . 78 51 51 GLU N N 112.13326 . . 79 52 52 GLY H H 8.28690 . . 80 52 52 GLY N N 107.66962 . . 81 53 53 ASP H H 7.18685 . . 82 53 53 ASP N N 116.24506 . . 83 54 54 LEU H H 8.84793 . . 84 54 54 LEU N N 119.32414 . . 85 55 55 GLU H H 8.57733 . . 86 55 55 GLU N N 125.98370 . . 87 56 56 ILE H H 9.22524 . . 88 56 56 ILE N N 126.13213 . . 89 57 57 LEU H H 8.51930 . . 90 57 57 LEU N N 128.69465 . . 91 58 58 LEU H H 9.05892 . . 92 58 58 LEU N N 123.36032 . . 93 59 59 GLN H H 9.22422 . . 94 59 59 GLN N N 117.78442 . . 95 60 60 LYS H H 8.92294 . . 96 60 60 LYS N N 121.50050 . . 97 62 62 GLU H H 8.72787 . . 98 62 62 GLU N N 127.63268 . . 99 64 64 ASP H H 8.11994 . . 100 64 64 ASP N N 110.97099 . . 101 65 65 GLU H H 6.76569 . . 102 65 65 GLU N N 114.66420 . . 103 66 66 CYS H H 8.58824 . . 104 66 66 CYS N N 119.84009 . . 105 67 67 ALA H H 9.00822 . . 106 67 67 ALA N N 133.41585 . . 107 68 68 GLN H H 8.37675 . . 108 68 68 GLN N N 118.73442 . . 109 69 69 LYS H H 9.16777 . . 110 69 69 LYS N N 123.52064 . . 111 70 70 LYS H H 8.49975 . . 112 70 70 LYS N N 123.38297 . . 113 71 71 ILE H H 8.98812 . . 114 71 71 ILE N N 124.57064 . . 115 72 72 ILE H H 8.48560 . . 116 72 72 ILE N N 125.42674 . . 117 73 73 ALA H H 9.29059 . . 118 73 73 ALA N N 133.63675 . . 119 74 74 GLU H H 9.40332 . . 120 74 74 GLU N N 124.79317 . . 121 75 75 LYS H H 8.86128 . . 122 75 75 LYS N N 123.56929 . . 123 76 76 THR H H 8.38966 . . 124 76 76 THR N N 112.48585 . . 125 77 77 LYS H H 8.27008 . . 126 77 77 LYS N N 116.36791 . . 127 78 78 ILE H H 7.97952 . . 128 78 78 ILE N N 122.31686 . . 129 80 80 ALA H H 7.98791 . . 130 80 80 ALA N N 115.64130 . . 131 81 81 VAL H H 7.25410 . . 132 81 81 VAL N N 117.25123 . . 133 82 82 PHE H H 9.56952 . . 134 82 82 PHE N N 126.57629 . . 135 83 83 LYS H H 9.53814 . . 136 83 83 LYS N N 123.74872 . . 137 84 84 ILE H H 7.75112 . . 138 84 84 ILE N N 116.38482 . . 139 85 85 ASP H H 8.72482 . . 140 85 85 ASP N N 120.01021 . . 141 86 86 ALA H H 7.18809 . . 142 86 86 ALA N N 121.90603 . . 143 87 87 LEU H H 9.00004 . . 144 87 87 LEU N N 114.55674 . . 145 88 88 ASN H H 8.71409 . . 146 88 88 ASN N N 111.23332 . . 147 89 89 GLU H H 8.27401 . . 148 89 89 GLU N N 117.27395 . . 149 90 90 ASN H H 9.08647 . . 150 90 90 ASN N N 115.52173 . . 151 91 91 LYS H H 8.51470 . . 152 91 91 LYS N N 121.59359 . . 153 93 93 LEU H H 9.44071 . . 154 93 93 LEU N N 125.98654 . . 155 94 94 VAL H H 9.28846 . . 156 94 94 VAL N N 123.81946 . . 157 95 95 LEU H H 8.48537 . . 158 95 95 LEU N N 128.06782 . . 159 96 96 ASP H H 7.21482 . . 160 96 96 ASP N N 110.46173 . . 161 97 97 THR H H 7.75403 . . 162 97 97 THR N N 119.19470 . . 163 98 98 ASP H H 6.82303 . . 164 98 98 ASP N N 123.66726 . . 165 99 99 TYR H H 9.00943 . . 166 99 99 TYR N N 117.50860 . . 167 100 100 LYS H H 9.00086 . . 168 100 100 LYS N N 119.97522 . . 169 101 101 LYS H H 9.64920 . . 170 101 101 LYS N N 120.58140 . . 171 102 102 TYR H H 9.16650 . . 172 102 102 TYR N N 116.88936 . . 173 103 103 LEU H H 9.15791 . . 174 103 103 LEU N N 124.91022 . . 175 104 104 LEU H H 9.38556 . . 176 104 104 LEU N N 124.80012 . . 177 105 105 PHE H H 8.86883 . . 178 105 105 PHE N N 121.31019 . . 179 106 106 CYS H H 9.63240 . . 180 106 106 CYS N N 117.19327 . . 181 107 107 MET H H 9.94944 . . 182 107 107 MET N N 120.65030 . . 183 108 108 GLU H H 8.36756 . . 184 108 108 GLU N N 113.54010 . . 185 109 109 ASN H H 9.31585 . . 186 109 109 ASN N N 120.13682 . . 187 110 110 SER H H 9.82524 . . 188 110 110 SER N N 122.02011 . . 189 111 111 ALA H H 8.28885 . . 190 111 111 ALA N N 123.42175 . . 191 112 112 GLU H H 7.77428 . . 192 112 112 GLU N N 113.62941 . . 193 114 114 GLU H H 8.51444 . . 194 114 114 GLU N N 114.73890 . . 195 116 116 SER H H 7.57996 . . 196 116 116 SER N N 109.88050 . . 197 117 117 LEU H H 7.24807 . . 198 117 117 LEU N N 126.90872 . . 199 118 118 VAL H H 8.82640 . . 200 118 118 VAL N N 125.78253 . . 201 119 119 CYS H H 9.51140 . . 202 119 119 CYS N N 122.05082 . . 203 120 120 GLN H H 9.32355 . . 204 120 120 GLN N N 118.48955 . . 205 122 122 LEU H H 9.73866 . . 206 122 122 LEU N N 128.56131 . . 207 123 123 VAL H H 9.44160 . . 208 123 123 VAL N N 111.54708 . . 209 124 124 ARG H H 7.93195 . . 210 124 124 ARG N N 119.76318 . . 211 125 125 THR H H 7.57508 . . 212 125 125 THR N N 108.40920 . . 213 127 127 GLU H H 8.34175 . . 214 127 127 GLU N N 120.41194 . . 215 128 128 VAL H H 8.34697 . . 216 128 128 VAL N N 119.25082 . . 217 130 130 ASP H H 8.91334 . . 218 130 130 ASP N N 125.16318 . . 219 131 131 GLU H H 8.32864 . . 220 131 131 GLU N N 121.14207 . . 221 132 132 ALA H H 7.88270 . . 222 132 132 ALA N N 122.45506 . . 223 133 133 LEU H H 7.69738 . . 224 133 133 LEU N N 116.45833 . . 225 134 134 GLU H H 8.05092 . . 226 134 134 GLU N N 119.54641 . . 227 136 136 PHE H H 8.51634 . . 228 136 136 PHE N N 121.87362 . . 229 137 137 ASP H H 8.57401 . . 230 137 137 ASP N N 118.74543 . . 231 138 138 LYS H H 7.95684 . . 232 138 138 LYS N N 119.32023 . . 233 139 139 ALA H H 7.85513 . . 234 139 139 ALA N N 121.68615 . . 235 140 140 LEU H H 7.49057 . . 236 140 140 LEU N N 114.77317 . . 237 141 141 LYS H H 7.16841 . . 238 141 141 LYS N N 119.78887 . . 239 142 142 ALA H H 7.75500 . . 240 142 142 ALA N N 118.53939 . . 241 143 143 LEU H H 7.72371 . . 242 143 143 LEU N N 119.72597 . . 243 145 145 MET H H 7.63753 . . 244 145 145 MET N N 118.12747 . . 245 146 146 HIS H H 8.81493 . . 246 146 146 HIS N N 117.81650 . . 247 149 149 LEU H H 9.20937 . . 248 149 149 LEU N N 125.01044 . . 249 150 150 SER H H 8.22909 . . 250 150 150 SER N N 116.33363 . . 251 151 151 PHE H H 8.14169 . . 252 151 151 PHE N N 119.74648 . . 253 152 152 ASN H H 8.72580 . . 254 152 152 ASN N N 119.25046 . . 255 154 154 THR H H 8.11869 . . 256 154 154 THR N N 115.19077 . . 257 155 155 GLN H H 8.30967 . . 258 155 155 GLN N N 122.34969 . . 259 156 156 LEU H H 8.12967 . . 260 156 156 LEU N N 122.20482 . . 261 159 159 GLN H H 8.30288 . . 262 159 159 GLN N N 125.02645 . . stop_ save_