data_7411 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mapping intramolecular interactions between domains in HMGB1 using a tail-truncation approach ; _BMRB_accession_number 7411 _BMRB_flat_file_name bmr7411.str _Entry_type original _Submission_date 2007-10-02 _Accession_date 2007-10-02 _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 Watson Matthew . . 2 Stott Katherine . . 3 Thomas Jean O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 177 "15N chemical shifts" 171 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-02-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15502 HMGB1 7408 'HMGB1, ABprime' 7409 'HMGB1, delta5' 7410 'HMGB1, delta10' 7412 'HMGB1, delta20' 7413 'HMGB1, delta25' stop_ _Original_release_date 2008-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Mapping intramolecular interactions between domains in HMGB1 using a tail-truncation approach' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17988686 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Watson Matthew . . 2 Stott Katherine . . 3 Thomas Jean O. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 374 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1286 _Page_last 1297 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HMGB1, delta15' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HMGB1, delta15' $HMGB1-delta15 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_HMGB1-delta15 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HMGB1-delta15 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; GKGDPKKPRGKMSSYAFFVQ TCREEHKKKHPDASVNFSEF SKKCSERWKTMSAKEKGKFE DMAKADKARYEREMKTYIPP KGETKKKFKDPNAPKRPPSA FFLFCSEYRPKIKGEHPGLS IGDVAKKLGEMWNNTAADDK QPYEKKAAKLKEKYEKDIAA YRAKGKPDAAKKGVVKAEKS KKKKEEEDDEEDEEDEEEE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 LYS 3 GLY 4 ASP 5 PRO 6 LYS 7 LYS 8 PRO 9 ARG 10 GLY 11 LYS 12 MET 13 SER 14 SER 15 TYR 16 ALA 17 PHE 18 PHE 19 VAL 20 GLN 21 THR 22 CYS 23 ARG 24 GLU 25 GLU 26 HIS 27 LYS 28 LYS 29 LYS 30 HIS 31 PRO 32 ASP 33 ALA 34 SER 35 VAL 36 ASN 37 PHE 38 SER 39 GLU 40 PHE 41 SER 42 LYS 43 LYS 44 CYS 45 SER 46 GLU 47 ARG 48 TRP 49 LYS 50 THR 51 MET 52 SER 53 ALA 54 LYS 55 GLU 56 LYS 57 GLY 58 LYS 59 PHE 60 GLU 61 ASP 62 MET 63 ALA 64 LYS 65 ALA 66 ASP 67 LYS 68 ALA 69 ARG 70 TYR 71 GLU 72 ARG 73 GLU 74 MET 75 LYS 76 THR 77 TYR 78 ILE 79 PRO 80 PRO 81 LYS 82 GLY 83 GLU 84 THR 85 LYS 86 LYS 87 LYS 88 PHE 89 LYS 90 ASP 91 PRO 92 ASN 93 ALA 94 PRO 95 LYS 96 ARG 97 PRO 98 PRO 99 SER 100 ALA 101 PHE 102 PHE 103 LEU 104 PHE 105 CYS 106 SER 107 GLU 108 TYR 109 ARG 110 PRO 111 LYS 112 ILE 113 LYS 114 GLY 115 GLU 116 HIS 117 PRO 118 GLY 119 LEU 120 SER 121 ILE 122 GLY 123 ASP 124 VAL 125 ALA 126 LYS 127 LYS 128 LEU 129 GLY 130 GLU 131 MET 132 TRP 133 ASN 134 ASN 135 THR 136 ALA 137 ALA 138 ASP 139 ASP 140 LYS 141 GLN 142 PRO 143 TYR 144 GLU 145 LYS 146 LYS 147 ALA 148 ALA 149 LYS 150 LEU 151 LYS 152 GLU 153 LYS 154 TYR 155 GLU 156 LYS 157 ASP 158 ILE 159 ALA 160 ALA 161 TYR 162 ARG 163 ALA 164 LYS 165 GLY 166 LYS 167 PRO 168 ASP 169 ALA 170 ALA 171 LYS 172 LYS 173 GLY 174 VAL 175 VAL 176 LYS 177 ALA 178 GLU 179 LYS 180 SER 181 LYS 182 LYS 183 LYS 184 LYS 185 GLU 186 GLU 187 GLU 188 ASP 189 ASP 190 GLU 191 GLU 192 ASP 193 GLU 194 GLU 195 ASP 196 GLU 197 GLU 198 GLU 199 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 11147 "HMG box domain" 82.91 173 100.00 100.00 2.30e-114 BMRB 15148 HMGB1_ABbtail 93.97 187 100.00 100.00 5.41e-128 BMRB 15149 HMGB1_Full_Length 100.00 214 100.00 100.00 3.76e-136 BMRB 15502 HMGB1 100.00 214 100.00 100.00 3.76e-136 BMRB 7408 HMGB1_ABprime 92.46 184 100.00 100.00 2.94e-126 BMRB 7409 HMGB1-delta5 100.00 209 100.00 100.00 2.17e-136 BMRB 7410 HMGB1-delta10 100.00 204 100.00 100.00 3.29e-136 BMRB 7412 HMGB1-delta20 97.49 194 100.00 100.00 5.87e-133 BMRB 7413 HMGB1-delta25 94.97 189 100.00 100.00 1.40e-129 PDB 2YRQ "Solution Structure Of The Tandem Hmg Box Domain From Human High Mobility Group Protein B1" 82.91 173 100.00 100.00 2.30e-114 DBJ BAA09924 "HMG-1 [Homo sapiens]" 100.00 215 97.99 98.49 3.39e-132 DBJ BAC29902 "unnamed protein product [Mus musculus]" 100.00 215 100.00 100.00 2.57e-136 DBJ BAC34367 "unnamed protein product [Mus musculus]" 88.94 178 100.00 100.00 1.69e-122 DBJ BAC34773 "unnamed protein product [Mus musculus]" 100.00 215 99.50 99.50 4.60e-135 DBJ BAC38678 "unnamed protein product [Mus musculus]" 90.45 181 100.00 100.00 2.24e-124 EMBL CAA31110 "unnamed protein product [Homo sapiens]" 100.00 215 99.50 100.00 1.51e-135 EMBL CAA31284 "unnamed protein product [Bos taurus]" 100.00 215 99.50 100.00 1.21e-135 EMBL CAA56631 "high mobility group protein [Mus musculus]" 100.00 215 99.50 100.00 1.21e-135 EMBL CAA68441 "high mobility group protein [Cricetulus griseus]" 82.91 180 100.00 100.00 4.92e-109 EMBL CAA68526 "unnamed protein product [Rattus norvegicus]" 100.00 215 100.00 100.00 2.57e-136 GB AAA20508 "HMG-1 [Mus musculus]" 100.00 215 100.00 100.00 2.57e-136 GB AAA31050 "non-histone protein HMG1 [Sus scrofa]" 100.00 215 98.99 99.50 9.57e-135 GB AAA40729 "Amphoterin [Rattus norvegicus]" 100.00 215 100.00 100.00 2.57e-136 GB AAA57042 "high mobility group 1 protein [Mus musculus]" 100.00 215 99.50 99.50 2.69e-135 GB AAA64970 "HMG-1 [Homo sapiens]" 100.00 216 98.49 98.99 1.96e-133 PIR S29857 "nonhistone chromosomal protein HMG-1 - human" 100.00 216 98.49 98.99 1.96e-133 REF NP_001002937 "high mobility group protein B1 [Canis lupus familiaris]" 100.00 215 99.50 100.00 1.51e-135 REF NP_001004034 "high mobility group protein B1 [Sus scrofa]" 100.00 215 98.99 99.50 9.57e-135 REF NP_001075304 "high mobility group protein B1 [Equus caballus]" 100.00 215 99.50 100.00 1.51e-135 REF NP_001102843 "high mobility group box 1 like [Rattus norvegicus]" 100.00 214 98.99 99.50 1.63e-134 REF NP_001162380 "high mobility group protein B1 [Papio anubis]" 100.00 215 99.50 100.00 1.51e-135 SP A9RA84 "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1 [Papio anubis]" 100.00 215 99.50 100.00 1.51e-135 SP B0CM99 "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1 [Callithrix jacchus]" 100.00 215 99.50 100.00 1.51e-135 SP B1MTB0 "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1 [Callicebus moloch]" 100.00 215 99.50 100.00 1.51e-135 SP P07156 "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1, partial [Cricetulus gri" 82.91 180 100.00 100.00 4.92e-109 SP P09429 "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1 [Homo sapiens]" 100.00 215 99.50 100.00 1.51e-135 TPG DAA21468 "TPA: high-mobility group box 1-like [Bos taurus]" 100.00 215 97.99 98.49 7.15e-134 TPG DAA23902 "TPA: high mobility group protein B1 [Bos taurus]" 100.00 215 99.50 100.00 1.21e-135 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HMGB1-delta15 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 _Vector_name $HMGB1-delta15 'recombinant technology' . Escherichia coli . pBAT4 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 $HMGB1-delta15 0.3-1.4 mM '[U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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' 0.001 . M 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 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 1H-15N NOESY' '3D 1H-15N TOCSY' 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 'HMGB1, delta15' _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 3 3 GLY H H 8.656 0.002 1 2 3 3 GLY N N 110.804 0.02 1 3 4 4 ASP H H 8.138 0.002 1 4 4 4 ASP N N 121.197 0.02 1 5 6 6 LYS H H 8.332 0.002 1 6 6 6 LYS N N 119.759 0.02 1 7 7 7 LYS H H 7.887 0.002 1 8 7 7 LYS N N 123.580 0.02 1 9 9 9 ARG H H 8.907 0.002 1 10 9 9 ARG N N 124.213 0.02 1 11 10 10 GLY H H 8.656 0.002 1 12 10 10 GLY N N 110.804 0.02 1 13 11 11 LYS H H 7.658 0.002 1 14 11 11 LYS N N 119.989 0.02 1 15 12 12 MET H H 8.995 0.002 1 16 12 12 MET N N 124.543 0.02 1 17 13 13 SER H H 8.258 0.002 1 18 13 13 SER N N 119.144 0.02 1 19 14 14 SER H H 9.317 0.002 1 20 14 14 SER N N 116.134 0.02 1 21 15 15 TYR H H 7.969 0.002 1 22 15 15 TYR N N 121.752 0.02 1 23 16 16 ALA H H 7.920 0.002 1 24 16 16 ALA N N 121.788 0.02 1 25 17 17 PHE H H 8.311 0.002 1 26 17 17 PHE N N 117.892 0.02 1 27 18 18 PHE H H 8.079 0.002 1 28 18 18 PHE N N 125.026 0.02 1 29 19 19 VAL H H 8.487 0.002 1 30 19 19 VAL N N 122.531 0.02 1 31 20 20 GLN H H 7.845 0.002 1 32 20 20 GLN HE21 H 6.774 0.002 1 33 20 20 GLN HE22 H 7.790 0.002 1 34 20 20 GLN N N 118.159 0.02 1 35 20 20 GLN NE2 N 111.432 0.02 1 36 21 21 THR H H 8.151 0.002 1 37 21 21 THR N N 116.401 0.02 1 38 22 22 CYS H H 8.356 0.002 1 39 22 22 CYS N N 120.670 0.02 1 40 23 23 ARG H H 8.882 0.002 1 41 23 23 ARG N N 122.768 0.02 1 42 24 24 GLU H H 8.126 0.002 1 43 24 24 GLU N N 120.206 0.02 1 44 25 25 GLU H H 8.279 0.002 1 45 25 25 GLU N N 119.476 0.02 1 46 26 26 HIS H H 8.189 0.002 1 47 26 26 HIS N N 119.956 0.02 1 48 27 27 LYS H H 7.891 0.002 1 49 27 27 LYS N N 117.625 0.02 1 50 28 28 LYS H H 7.459 0.002 1 51 28 28 LYS N N 116.235 0.02 1 52 29 29 LYS H H 7.416 0.002 1 53 29 29 LYS N N 116.708 0.02 1 54 30 30 HIS H H 7.988 0.002 1 55 30 30 HIS N N 116.055 0.02 1 56 32 32 ASP H H 8.499 0.002 1 57 32 32 ASP N N 115.844 0.02 1 58 33 33 ALA H H 7.514 0.002 1 59 33 33 ALA N N 122.557 0.02 1 60 34 34 SER H H 8.550 0.002 1 61 34 34 SER N N 117.258 0.02 1 62 35 35 VAL H H 8.276 0.002 1 63 35 35 VAL N N 122.594 0.02 1 64 36 36 ASN H H 8.655 0.002 1 65 36 36 ASN HD21 H 7.035 0.002 1 66 36 36 ASN HD22 H 7.711 0.002 1 67 36 36 ASN N N 125.021 0.02 1 68 36 36 ASN ND2 N 112.935 0.02 1 69 39 39 GLU H H 7.841 0.002 1 70 39 39 GLU N N 121.916 0.02 1 71 40 40 PHE H H 8.517 0.002 1 72 40 40 PHE N N 121.394 0.02 1 73 41 41 SER H H 8.459 0.002 1 74 41 41 SER N N 114.722 0.02 1 75 42 42 LYS H H 7.493 0.002 1 76 42 42 LYS N N 121.795 0.02 1 77 43 43 LYS H H 7.802 0.002 1 78 43 43 LYS N N 119.412 0.02 1 79 44 44 CYS H H 8.013 0.002 1 80 44 44 CYS N N 117.320 0.02 1 81 45 45 SER H H 8.308 0.002 1 82 45 45 SER N N 116.966 0.02 1 83 46 46 GLU H H 8.025 0.002 1 84 46 46 GLU N N 120.750 0.02 1 85 47 47 ARG H H 8.002 0.002 1 86 47 47 ARG N N 119.388 0.02 1 87 48 48 TRP H H 8.651 0.002 1 88 48 48 TRP HE1 H 10.156 0.002 1 89 48 48 TRP N N 120.638 0.02 1 90 48 48 TRP NE1 N 127.926 0.02 1 91 49 49 LYS H H 7.589 0.002 1 92 49 49 LYS N N 114.484 0.02 1 93 50 50 THR H H 7.383 0.002 1 94 50 50 THR N N 106.279 0.02 1 95 51 51 MET H H 7.102 0.002 1 96 51 51 MET N N 123.563 0.02 1 97 52 52 SER H H 8.982 0.002 1 98 52 52 SER N N 119.690 0.02 1 99 53 53 ALA H H 8.833 0.002 1 100 53 53 ALA N N 123.031 0.02 1 101 54 54 LYS H H 8.237 0.002 1 102 54 54 LYS N N 117.762 0.02 1 103 55 55 GLU H H 7.647 0.002 1 104 55 55 GLU N N 120.126 0.02 1 105 56 56 LYS H H 8.100 0.002 1 106 56 56 LYS N N 116.806 0.02 1 107 57 57 GLY H H 7.825 0.002 1 108 57 57 GLY N N 106.839 0.02 1 109 58 58 LYS H H 7.877 0.002 1 110 58 58 LYS N N 119.135 0.02 1 111 59 59 PHE H H 7.276 0.002 1 112 59 59 PHE N N 119.666 0.02 1 113 60 60 GLU H H 8.403 0.002 1 114 60 60 GLU N N 121.952 0.02 1 115 61 61 ASP H H 8.604 0.002 1 116 61 61 ASP N N 121.005 0.02 1 117 62 62 MET H H 7.351 0.002 1 118 62 62 MET N N 120.629 0.02 1 119 63 63 ALA H H 7.998 0.002 1 120 63 63 ALA N N 123.140 0.02 1 121 64 64 LYS H H 8.586 0.002 1 122 64 64 LYS N N 122.134 0.02 1 123 65 65 ALA H H 7.903 0.002 1 124 65 65 ALA N N 122.592 0.02 1 125 66 66 ASP H H 8.331 0.002 1 126 66 66 ASP N N 120.320 0.02 1 127 67 67 LYS H H 8.219 0.002 1 128 67 67 LYS N N 120.455 0.02 1 129 68 68 ALA H H 7.437 0.002 1 130 68 68 ALA N N 120.551 0.02 1 131 69 69 ARG H H 7.936 0.002 1 132 69 69 ARG N N 120.859 0.02 1 133 70 70 TYR H H 8.586 0.002 1 134 70 70 TYR N N 121.784 0.02 1 135 71 71 GLU H H 8.438 0.002 1 136 71 71 GLU N N 116.726 0.02 1 137 72 72 ARG H H 7.991 0.002 1 138 72 72 ARG N N 119.126 0.02 1 139 73 73 GLU H H 8.474 0.002 1 140 73 73 GLU N N 119.651 0.02 1 141 74 74 MET H H 8.484 0.002 1 142 74 74 MET N N 117.212 0.02 1 143 75 75 LYS H H 7.469 0.002 1 144 75 75 LYS N N 118.485 0.02 1 145 76 76 THR H H 7.237 0.002 1 146 76 76 THR N N 105.719 0.02 1 147 77 77 TYR H H 7.388 0.002 1 148 77 77 TYR N N 123.620 0.02 1 149 78 78 ILE H H 7.791 0.002 1 150 78 78 ILE N N 129.914 0.02 1 151 82 82 GLY H H 8.454 0.002 1 152 82 82 GLY N N 109.907 0.02 1 153 84 84 THR H H 8.307 0.002 1 154 84 84 THR N N 116.084 0.02 1 155 85 85 LYS H H 8.423 0.002 1 156 85 85 LYS N N 124.029 0.02 1 157 88 88 PHE H H 8.389 0.002 1 158 88 88 PHE N N 121.997 0.02 1 159 92 92 ASN H H 8.327 0.002 1 160 92 92 ASN HD21 H 7.062 0.002 1 161 92 92 ASN HD22 H 7.902 0.002 1 162 92 92 ASN N N 115.202 0.02 1 163 92 92 ASN ND2 N 114.560 0.02 1 164 93 93 ALA H H 7.129 0.002 1 165 93 93 ALA N N 123.261 0.02 1 166 95 95 LYS H H 8.458 0.002 1 167 95 95 LYS N N 123.536 0.02 1 168 96 96 ARG H H 8.347 0.002 1 169 96 96 ARG N N 122.705 0.02 1 170 99 99 SER H H 7.951 0.002 1 171 99 99 SER N N 114.626 0.02 1 172 100 100 ALA H H 9.012 0.002 1 173 100 100 ALA N N 122.320 0.02 1 174 101 101 PHE H H 8.384 0.002 1 175 101 101 PHE N N 115.693 0.02 1 176 102 102 PHE H H 8.179 0.002 1 177 102 102 PHE N N 122.607 0.02 1 178 103 103 LEU H H 8.265 0.002 1 179 103 103 LEU N N 120.879 0.02 1 180 104 104 PHE H H 8.101 0.002 1 181 104 104 PHE N N 123.695 0.02 1 182 105 105 CYS H H 8.469 0.002 1 183 105 105 CYS N N 118.053 0.02 1 184 106 106 SER H H 8.105 0.002 1 185 106 106 SER N N 114.711 0.02 1 186 107 107 GLU H H 7.099 0.002 1 187 107 107 GLU N N 118.722 0.02 1 188 108 108 TYR H H 7.882 0.002 1 189 108 108 TYR N N 114.247 0.02 1 190 109 109 ARG H H 9.207 0.002 1 191 109 109 ARG N N 123.326 0.02 1 192 111 111 LYS H H 6.754 0.002 1 193 111 111 LYS N N 117.278 0.02 1 194 112 112 ILE H H 8.139 0.002 1 195 112 112 ILE N N 119.544 0.02 1 196 113 113 LYS H H 8.216 0.002 1 197 113 113 LYS N N 118.300 0.02 1 198 114 114 GLY H H 7.588 0.002 1 199 114 114 GLY N N 103.396 0.02 1 200 115 115 GLU H H 7.465 0.002 1 201 115 115 GLU N N 119.036 0.02 1 202 116 116 HIS H H 7.876 0.002 1 203 116 116 HIS N N 116.249 0.02 1 204 118 118 GLY H H 8.742 0.002 1 205 118 118 GLY N N 107.453 0.02 1 206 119 119 LEU H H 7.337 0.002 1 207 119 119 LEU N N 120.829 0.02 1 208 120 120 SER H H 9.248 0.002 1 209 120 120 SER N N 120.617 0.02 1 210 121 121 ILE H H 8.719 0.002 1 211 121 121 ILE N N 120.305 0.02 1 212 122 122 GLY H H 8.680 0.002 1 213 122 122 GLY N N 109.075 0.02 1 214 123 123 ASP H H 7.915 0.002 1 215 123 123 ASP N N 123.878 0.02 1 216 124 124 VAL H H 8.563 0.002 1 217 124 124 VAL N N 123.531 0.02 1 218 125 125 ALA H H 7.889 0.002 1 219 125 125 ALA N N 120.982 0.02 1 220 126 126 LYS H H 7.983 0.002 1 221 126 126 LYS N N 119.344 0.02 1 222 127 127 LYS H H 7.988 0.002 1 223 127 127 LYS N N 120.867 0.02 1 224 128 128 LEU H H 8.593 0.002 1 225 128 128 LEU N N 119.800 0.02 1 226 129 129 GLY H H 8.216 0.002 1 227 129 129 GLY N N 105.642 0.02 1 228 130 130 GLU H H 8.025 0.002 1 229 130 130 GLU N N 122.858 0.02 1 230 131 131 MET H H 8.714 0.002 1 231 131 131 MET N N 118.537 0.02 1 232 132 132 TRP H H 8.670 0.002 1 233 132 132 TRP HE1 H 10.064 0.002 1 234 132 132 TRP N N 122.225 0.02 1 235 132 132 TRP NE1 N 128.070 0.02 1 236 133 133 ASN H H 8.122 0.002 1 237 133 133 ASN HD21 H 6.814 0.002 1 238 133 133 ASN HD22 H 7.532 0.002 1 239 133 133 ASN N N 116.884 0.02 1 240 133 133 ASN ND2 N 112.177 0.02 1 241 134 134 ASN H H 7.537 0.002 1 242 134 134 ASN HD21 H 6.934 0.002 1 243 134 134 ASN HD22 H 7.572 0.002 1 244 134 134 ASN N N 115.493 0.02 1 245 134 134 ASN ND2 N 112.704 0.02 1 246 135 135 THR H H 7.249 0.002 1 247 135 135 THR N N 119.422 0.02 1 248 136 136 ALA H H 9.184 0.002 1 249 136 136 ALA N N 130.948 0.02 1 250 137 137 ALA H H 8.795 0.002 1 251 137 137 ALA N N 124.540 0.02 1 252 138 138 ASP H H 8.931 0.002 1 253 138 138 ASP N N 115.312 0.02 1 254 139 139 ASP H H 7.291 0.002 1 255 139 139 ASP N N 117.470 0.02 1 256 140 140 LYS H H 7.752 0.002 1 257 140 140 LYS N N 118.595 0.02 1 258 141 141 GLN H H 7.392 0.002 1 259 141 141 GLN HE21 H 6.890 0.002 1 260 141 141 GLN HE22 H 7.609 0.002 1 261 141 141 GLN N N 117.849 0.02 1 262 141 141 GLN NE2 N 111.549 0.02 1 263 143 143 TYR H H 7.173 0.002 1 264 143 143 TYR N N 115.266 0.02 1 265 144 144 GLU H H 8.124 0.002 1 266 144 144 GLU N N 119.362 0.02 1 267 145 145 LYS H H 9.133 0.002 1 268 145 145 LYS N N 120.780 0.02 1 269 146 146 LYS H H 7.650 0.002 1 270 146 146 LYS N N 120.202 0.02 1 271 147 147 ALA H H 8.444 0.002 1 272 147 147 ALA N N 120.748 0.02 1 273 148 148 ALA H H 8.327 0.002 1 274 148 148 ALA N N 121.597 0.02 1 275 149 149 LYS H H 7.918 0.002 1 276 149 149 LYS N N 120.276 0.02 1 277 150 150 LEU H H 8.226 0.002 1 278 150 150 LEU N N 119.657 0.02 1 279 151 151 LYS H H 8.417 0.002 1 280 151 151 LYS N N 123.320 0.02 1 281 152 152 GLU H H 8.039 0.002 1 282 152 152 GLU N N 119.707 0.02 1 283 153 153 LYS H H 7.674 0.002 1 284 153 153 LYS N N 119.259 0.02 1 285 154 154 TYR H H 8.099 0.002 1 286 154 154 TYR N N 120.120 0.02 1 287 155 155 GLU H H 8.493 0.002 1 288 155 155 GLU N N 117.300 0.02 1 289 156 156 LYS H H 7.584 0.002 1 290 156 156 LYS N N 119.886 0.02 1 291 157 157 ASP H H 8.830 0.002 1 292 157 157 ASP N N 122.833 0.02 1 293 158 158 ILE H H 9.282 0.002 1 294 158 158 ILE N N 122.487 0.02 1 295 159 159 ALA H H 7.274 0.002 1 296 159 159 ALA N N 124.657 0.02 1 297 160 160 ALA H H 7.705 0.002 1 298 160 160 ALA N N 119.966 0.02 1 299 161 161 TYR H H 8.144 0.002 1 300 161 161 TYR N N 119.977 0.02 1 301 162 162 ARG H H 8.352 0.002 1 302 162 162 ARG N N 118.528 0.02 1 303 163 163 ALA H H 7.572 0.002 1 304 163 163 ALA N N 120.741 0.02 1 305 164 164 LYS H H 7.564 0.002 1 306 164 164 LYS N N 117.659 0.02 1 307 165 165 GLY H H 7.976 0.002 1 308 165 165 GLY N N 108.070 0.02 1 309 166 166 LYS H H 8.028 0.002 1 310 166 166 LYS N N 121.305 0.02 1 311 168 168 ASP H H 8.410 0.002 1 312 168 168 ASP N N 119.950 0.02 1 313 169 169 ALA H H 8.198 0.002 1 314 169 169 ALA N N 124.354 0.02 1 315 170 170 ALA H H 8.201 0.002 1 316 170 170 ALA N N 121.660 0.02 1 317 171 171 LYS H H 8.045 0.002 1 318 171 171 LYS N N 119.645 0.02 1 319 172 172 LYS H H 8.234 0.002 1 320 172 172 LYS N N 121.825 0.02 1 321 173 173 GLY H H 8.409 0.002 1 322 173 173 GLY N N 109.742 0.02 1 323 174 174 VAL H H 7.956 0.002 1 324 174 174 VAL N N 119.495 0.02 1 325 175 175 VAL H H 8.271 0.002 1 326 175 175 VAL N N 124.728 0.02 1 327 176 176 LYS H H 8.442 0.002 1 328 176 176 LYS N N 126.017 0.02 1 329 177 177 ALA H H 8.379 0.002 1 330 177 177 ALA N N 125.724 0.02 1 331 178 178 GLU H H 8.410 0.002 1 332 178 178 GLU N N 120.523 0.02 1 333 179 179 LYS H H 8.301 0.002 1 334 179 179 LYS N N 122.472 0.02 1 335 180 180 SER H H 8.351 0.002 1 336 180 180 SER N N 116.688 0.02 1 337 181 181 LYS H H 8.406 0.002 1 338 181 181 LYS N N 123.111 0.02 1 339 184 184 LYS H H 8.466 0.002 1 340 184 184 LYS N N 123.081 0.02 1 341 185 185 GLU H H 8.671 0.002 1 342 185 185 GLU N N 121.240 0.02 1 343 186 186 GLU H H 8.348 0.002 1 344 186 186 GLU N N 119.498 0.02 1 345 187 187 GLU H H 8.256 0.002 1 346 187 187 GLU N N 120.190 0.02 1 347 188 188 ASP H H 8.348 0.002 1 348 188 188 ASP N N 121.327 0.02 1 stop_ save_