data_695 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Proton NMR studies of apo-neocarzinostatin from Streptomyces carzinostaticus Sequence-specific assignment and secondary structure ; _BMRB_accession_number 695 _BMRB_flat_file_name bmr695.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Adjadj Elisabeth . . 2 Mispelter Joel . . 3 Quiniou Eric . . 4 Dimicoli Jean-Luc . . 5 Favaudon Vincent . . 6 Lhoste Jean-Marc . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 526 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Adjadj, Elisabeth, Mispelter, Joel, Quiniou, Eric, Dimicoli, Jean-Luc, Favaudon, Vincent, Lhoste, Jean-Marc, "Proton NMR studies of apo-neocarzinostatin from Streptomyces carzinostaticus Sequence-specific assignment and secondary structure," Eur. J. Biochem. 190, 263-271 (1990). ; _Citation_title ; Proton NMR studies of apo-neocarzinostatin from Streptomyces carzinostaticus Sequence-specific assignment and secondary structure ; _Citation_status published _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 Adjadj Elisabeth . . 2 Mispelter Joel . . 3 Quiniou Eric . . 4 Dimicoli Jean-Luc . . 5 Favaudon Vincent . . 6 Lhoste Jean-Marc . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 190 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 263 _Page_last 271 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_neocarzinostatin _Saveframe_category molecular_system _Mol_system_name neocarzinostatin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label neocarzinostatin $neocarzinostatin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_neocarzinostatin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common neocarzinostatin _Name_variant apo-form _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; AAPTATVTPSSGLSDGTVVK VAGAGLQAGTAYDVGQCAWV DTGVLACDPADFSSVTADAN GSASTSLTVRRSFEGFLFDG TRWGTVDCTTAACQVGLSDA AGNGPEGVAISFN ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ALA 3 PRO 4 THR 5 ALA 6 THR 7 VAL 8 THR 9 PRO 10 SER 11 SER 12 GLY 13 LEU 14 SER 15 ASP 16 GLY 17 THR 18 VAL 19 VAL 20 LYS 21 VAL 22 ALA 23 GLY 24 ALA 25 GLY 26 LEU 27 GLN 28 ALA 29 GLY 30 THR 31 ALA 32 TYR 33 ASP 34 VAL 35 GLY 36 GLN 37 CYS 38 ALA 39 TRP 40 VAL 41 ASP 42 THR 43 GLY 44 VAL 45 LEU 46 ALA 47 CYS 48 ASP 49 PRO 50 ALA 51 ASP 52 PHE 53 SER 54 SER 55 VAL 56 THR 57 ALA 58 ASP 59 ALA 60 ASN 61 GLY 62 SER 63 ALA 64 SER 65 THR 66 SER 67 LEU 68 THR 69 VAL 70 ARG 71 ARG 72 SER 73 PHE 74 GLU 75 GLY 76 PHE 77 LEU 78 PHE 79 ASP 80 GLY 81 THR 82 ARG 83 TRP 84 GLY 85 THR 86 VAL 87 ASP 88 CYS 89 THR 90 THR 91 ALA 92 ALA 93 CYS 94 GLN 95 VAL 96 GLY 97 LEU 98 SER 99 ASP 100 ALA 101 ALA 102 GLY 103 ASN 104 GLY 105 PRO 106 GLU 107 GLY 108 VAL 109 ALA 110 ILE 111 SER 112 PHE 113 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-25 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 1766 neocarzinostatin 100.00 113 99.12 100.00 9.86e-71 BMRB 5343 Neocarzinostatin_apo-protein 100.00 122 99.12 100.00 3.00e-71 BMRB 5344 apoNCS 100.00 122 99.12 100.00 3.00e-71 BMRB 5969 NCS 100.00 113 99.12 100.00 9.86e-71 BMRB 6888 Neocarzinostatin_apo-protein 100.00 122 99.12 100.00 3.00e-71 PDB 1J5H "Solution Structure Of Apo-Neocarzinostatin" 100.00 122 99.12 100.00 3.00e-71 PDB 1J5I "Solution Structure Of A Novel Chromoprotein Derived From Apo-Neocarzinostatin And A Synthetic Chromophore" 100.00 122 99.12 100.00 3.00e-71 PDB 1NCO "Structure Of The Antitumor Protein-Chromophore Complex Neocarzinostatin" 100.00 113 99.12 100.00 9.86e-71 PDB 1NOA "Crystal Structure Of Apo-Neocarzinostatin At 0.15 Nm Resolution" 100.00 113 99.12 100.00 9.86e-71 PDB 1O5P "Solution Structure Of Holo-Neocarzinostatin" 100.00 113 99.12 100.00 9.86e-71 PDB 2G0K "Solution Structure Of Neocarzinostatin Apo-Protein" 100.00 122 99.12 100.00 3.00e-71 PDB 2G0L "Solution Structure Of Neocarzinostatin Apo-Protein With Bound Flavone" 100.00 122 99.12 100.00 3.00e-71 DBJ BAA01764 "neocarzinostatin preapoprotein [Streptomyces carzinostaticus]" 100.00 147 99.12 100.00 4.70e-71 DBJ BAB83894 "neocarzinostatin apoprotein [synthetic construct]" 100.00 150 99.12 100.00 2.23e-70 DBJ BAB83895 "his-tagged neocarzinostatin apoprotein [synthetic construct]" 100.00 149 99.12 100.00 7.27e-71 DBJ BAB86365 "his-tagged neocarzinostatin apoprotein mutant F76W [synthetic construct]" 100.00 149 98.23 100.00 6.08e-70 DBJ BAB86366 "his-tagged neocarzinostatin apoprotein mutant F78W [synthetic construct]" 100.00 149 98.23 100.00 6.08e-70 GB AAB28103 "neocarzinostatin apoprotein [Streptomyces carzinostaticus]" 100.00 147 99.12 100.00 4.70e-71 GB AAM77994 "neocarzinostatin apoprotein [Streptomyces carzinostaticus subsp. neocarzinostaticus]" 100.00 147 99.12 100.00 4.70e-71 SP P0A3R9 "RecName: Full=Neocarzinostatin; Short=NCS; AltName: Full=Mitomalcin; Short=MMC; Flags: Precursor [Streptomyces carzinostaticus]" 100.00 147 99.12 100.00 4.70e-71 SP P0A3S0 "RecName: Full=Neocarzinostatin; Short=NCS; AltName: Full=Mitomalcin; Short=MMC [Streptomyces malayensis]" 100.00 113 99.12 100.00 9.86e-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 _Strain $neocarzinostatin . 1897 Bacteria . Streptomyces carzinostaticus 'var. F41 (ATCC 15944)' 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 $neocarzinostatin 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5 . na temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label TSP H . CH3 ppm 0 . . . . . $entry_citation $entry_citation 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name neocarzinostatin _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 ALA HA H 4.76 . 1 2 . 1 ALA HB H 1.45 . 1 3 . 2 ALA H H 8.54 . 1 4 . 2 ALA HA H 4.16 . 1 5 . 2 ALA HB H 1.59 . 1 6 . 4 THR H H 8.45 . 1 7 . 4 THR HA H 4.68 . 1 8 . 4 THR HB H 4.16 . 1 9 . 4 THR HG2 H 1.2 . 1 10 . 5 ALA H H 8.45 . 1 11 . 5 ALA HA H 5.55 . 1 12 . 5 ALA HB H 1.25 . 1 13 . 6 THR H H 8.98 . 1 14 . 6 THR HA H 4.66 . 1 15 . 6 THR HB H 4.11 . 1 16 . 6 THR HG2 H 1.22 . 1 17 . 7 VAL H H 8.59 . 1 18 . 7 VAL HA H 4.88 . 1 19 . 7 VAL HB H 1.77 . 1 20 . 7 VAL HG1 H .84 . 2 21 . 7 VAL HG2 H .76 . 2 22 . 8 THR H H 8.87 . 1 23 . 8 THR HA H 4.84 . 1 24 . 8 THR HB H 4.02 . 1 25 . 8 THR HG2 H 1.27 . 1 26 . 9 PRO HA H 5.11 . 1 27 . 9 PRO HB2 H 2.65 . 2 28 . 9 PRO HB3 H 2.36 . 2 29 . 9 PRO HG2 H 2.09 . 2 30 . 9 PRO HG3 H 1.84 . 2 31 . 9 PRO HD2 H 3.84 . 2 32 . 9 PRO HD3 H 3.66 . 2 33 . 10 SER H H 8.51 . 1 34 . 10 SER HA H 4.66 . 1 35 . 11 SER H H 7.72 . 1 36 . 11 SER HA H 5.32 . 1 37 . 11 SER HB2 H 3.86 . 1 38 . 11 SER HB3 H 3.86 . 1 39 . 12 GLY H H 8.38 . 1 40 . 12 GLY HA2 H 3.89 . 2 41 . 12 GLY HA3 H 3.74 . 2 42 . 13 LEU H H 7.89 . 1 43 . 13 LEU HA H 4.03 . 1 44 . 13 LEU HB2 H .68 . 2 45 . 13 LEU HB3 H .72 . 2 46 . 13 LEU HG H 1.19 . 1 47 . 13 LEU HD1 H .54 . 2 48 . 13 LEU HD2 H .3 . 2 49 . 14 SER H H 7.63 . 1 50 . 14 SER HA H 5.13 . 1 51 . 14 SER HB2 H 4.04 . 2 52 . 14 SER HB3 H 3.86 . 2 53 . 15 ASP H H 9.13 . 1 54 . 15 ASP HA H 4.51 . 1 55 . 15 ASP HB2 H 2.87 . 2 56 . 15 ASP HB3 H 2.68 . 2 57 . 16 GLY H H 8.86 . 1 58 . 16 GLY HA2 H 4.36 . 2 59 . 16 GLY HA3 H 3.66 . 2 60 . 17 THR H H 7.68 . 1 61 . 17 THR HA H 4.18 . 1 62 . 17 THR HB H 4 . 1 63 . 17 THR HG2 H 1.27 . 1 64 . 18 VAL H H 8.32 . 1 65 . 18 VAL HA H 4.78 . 1 66 . 18 VAL HB H 2.03 . 1 67 . 18 VAL HG1 H 1.1 . 2 68 . 18 VAL HG2 H .94 . 2 69 . 19 VAL H H 9.32 . 1 70 . 19 VAL HA H 4.89 . 1 71 . 19 VAL HB H 2.14 . 1 72 . 19 VAL HG1 H .87 . 2 73 . 19 VAL HG2 H .82 . 2 74 . 20 LYS H H 8.61 . 1 75 . 20 LYS HA H 4.86 . 1 76 . 20 LYS HB2 H 1.94 . 2 77 . 20 LYS HB3 H 1.88 . 2 78 . 20 LYS HG2 H 1.51 . 2 79 . 20 LYS HG3 H 1.39 . 2 80 . 20 LYS HD2 H 1.72 . 1 81 . 20 LYS HD3 H 1.72 . 1 82 . 20 LYS HE2 H 2.99 . 1 83 . 20 LYS HE3 H 2.99 . 1 84 . 21 VAL H H 8.98 . 1 85 . 21 VAL HA H 4.89 . 1 86 . 21 VAL HB H 1.75 . 1 87 . 21 VAL HG1 H .79 . 2 88 . 21 VAL HG2 H .73 . 2 89 . 22 ALA H H 8.95 . 1 90 . 22 ALA HA H 5.34 . 1 91 . 22 ALA HB H 1.4 . 1 92 . 23 GLY H H 9.1 . 1 93 . 23 GLY HA2 H 5.36 . 2 94 . 23 GLY HA3 H 3.23 . 2 95 . 24 ALA H H 8.82 . 1 96 . 24 ALA HA H 5.03 . 1 97 . 24 ALA HB H 1.35 . 1 98 . 25 GLY H H 8.87 . 1 99 . 25 GLY HA2 H 3.88 . 1 100 . 25 GLY HA3 H 3.88 . 1 101 . 26 LEU H H 8.93 . 1 102 . 26 LEU HA H 4.16 . 1 103 . 26 LEU HB2 H 1.22 . 1 104 . 26 LEU HB3 H 1.22 . 1 105 . 26 LEU HG H 1.34 . 1 106 . 26 LEU HD1 H .2 . 2 107 . 26 LEU HD2 H .13 . 2 108 . 27 GLN H H 8.09 . 1 109 . 27 GLN HA H 4.34 . 1 110 . 27 GLN HB2 H 2.18 . 2 111 . 27 GLN HB3 H 2.11 . 2 112 . 27 GLN HG2 H 2.42 . 1 113 . 27 GLN HG3 H 2.42 . 1 114 . 27 GLN HE21 H 7.64 . 2 115 . 27 GLN HE22 H 6.93 . 2 116 . 28 ALA H H 8.54 . 1 117 . 28 ALA HA H 4.09 . 1 118 . 28 ALA HB H 1.43 . 1 119 . 29 GLY H H 7.96 . 1 120 . 29 GLY HA2 H 4.24 . 2 121 . 29 GLY HA3 H 3.76 . 2 122 . 30 THR H H 7.99 . 1 123 . 30 THR HA H 4.34 . 1 124 . 30 THR HB H 4.43 . 1 125 . 30 THR HG2 H .98 . 1 126 . 31 ALA H H 8.4 . 1 127 . 31 ALA HA H 5.11 . 1 128 . 31 ALA HB H 1.34 . 1 129 . 32 TYR H H 9.35 . 1 130 . 32 TYR HA H 4.61 . 1 131 . 32 TYR HB2 H 2.54 . 1 132 . 32 TYR HB3 H 2.54 . 1 133 . 32 TYR HD1 H 6.89 . 1 134 . 32 TYR HD2 H 6.89 . 1 135 . 32 TYR HE1 H 6.84 . 1 136 . 32 TYR HE2 H 6.84 . 1 137 . 33 ASP H H 9.1 . 1 138 . 33 ASP HA H 5.16 . 1 139 . 33 ASP HB2 H 2.57 . 2 140 . 33 ASP HB3 H 2.19 . 2 141 . 34 VAL H H 8.78 . 1 142 . 34 VAL HA H 4.88 . 1 143 . 34 VAL HB H 1.98 . 1 144 . 34 VAL HG1 H .81 . 2 145 . 34 VAL HG2 H .79 . 2 146 . 35 GLY H H 8.01 . 1 147 . 35 GLY HA2 H 4.59 . 2 148 . 35 GLY HA3 H 3.33 . 2 149 . 36 GLN H H 9.47 . 1 150 . 36 GLN HA H 5.38 . 1 151 . 36 GLN HB2 H 1.82 . 2 152 . 36 GLN HB3 H 2.04 . 2 153 . 37 CYS H H 8.97 . 1 154 . 37 CYS HA H 5.69 . 1 155 . 37 CYS HB2 H 2.93 . 2 156 . 37 CYS HB3 H 2.7 . 2 157 . 38 ALA H H 9.46 . 1 158 . 38 ALA HA H 4.99 . 1 159 . 38 ALA HB H 1.37 . 1 160 . 39 TRP H H 8.43 . 1 161 . 39 TRP HA H 5.09 . 1 162 . 39 TRP HB2 H 3.31 . 2 163 . 39 TRP HB3 H 3.16 . 2 164 . 39 TRP HD1 H 7.3 . 1 165 . 39 TRP HE1 H 9.81 . 1 166 . 39 TRP HE3 H 7.51 . 1 167 . 39 TRP HZ2 H 7.57 . 1 168 . 39 TRP HZ3 H 6.86 . 1 169 . 39 TRP HH2 H 7.3 . 1 170 . 40 VAL H H 8.34 . 1 171 . 40 VAL HA H 4.32 . 1 172 . 40 VAL HB H 1.55 . 1 173 . 40 VAL HG1 H .16 . 2 174 . 40 VAL HG2 H .44 . 2 175 . 41 ASP H H 8.44 . 1 176 . 41 ASP HA H 4.72 . 1 177 . 41 ASP HB2 H 2.91 . 2 178 . 41 ASP HB3 H 2.62 . 2 179 . 42 THR H H 9.02 . 1 180 . 42 THR HA H 4.09 . 1 181 . 42 THR HB H 4.22 . 1 182 . 42 THR HG2 H 1.29 . 1 183 . 43 GLY H H 8.92 . 1 184 . 43 GLY HA2 H 4.26 . 2 185 . 43 GLY HA3 H 3.97 . 2 186 . 44 VAL H H 8.11 . 1 187 . 44 VAL HA H 4.39 . 1 188 . 44 VAL HB H 1.77 . 1 189 . 44 VAL HG1 H .92 . 2 190 . 44 VAL HG2 H .72 . 2 191 . 45 LEU H H 8.02 . 1 192 . 45 LEU HA H 4.55 . 1 193 . 45 LEU HB2 H 1.24 . 2 194 . 45 LEU HB3 H .81 . 2 195 . 45 LEU HG H .8 . 1 196 . 45 LEU HD1 H .02 . 2 197 . 45 LEU HD2 H .14 . 2 198 . 46 ALA H H 8.8 . 1 199 . 46 ALA HA H 4.95 . 1 200 . 46 ALA HB H .96 . 1 201 . 47 CYS H H 9.35 . 1 202 . 47 CYS HA H 5.7 . 1 203 . 47 CYS HB2 H 3.47 . 2 204 . 47 CYS HB3 H 3.19 . 2 205 . 48 ASP H H 7.87 . 1 206 . 48 ASP HA H 5.53 . 1 207 . 48 ASP HB2 H 2.46 . 2 208 . 48 ASP HB3 H 1.34 . 2 209 . 49 PRO HA H 4.991 . 1 210 . 49 PRO HB2 H 2.03 . 1 211 . 49 PRO HB3 H 2.03 . 1 212 . 50 ALA H H 7.01 . 1 213 . 50 ALA HA H 4.06 . 1 214 . 50 ALA HB H 1.5 . 1 215 . 51 ASP H H 6.55 . 1 216 . 51 ASP HA H 5.2 . 1 217 . 51 ASP HB2 H 3.32 . 2 218 . 51 ASP HB3 H 2.37 . 2 219 . 52 PHE H H 7.28 . 1 220 . 52 PHE HA H 5.22 . 1 221 . 52 PHE HB2 H 3.34 . 2 222 . 52 PHE HB3 H 2.38 . 2 223 . 52 PHE HD1 H 7.45 . 1 224 . 52 PHE HD2 H 7.45 . 1 225 . 52 PHE HE1 H 7.14 . 1 226 . 52 PHE HE2 H 7.14 . 1 227 . 52 PHE HZ H 7.05 . 1 228 . 53 SER H H 8.87 . 1 229 . 53 SER HA H 5.01 . 1 230 . 53 SER HB2 H 3.98 . 2 231 . 53 SER HB3 H 3.82 . 2 232 . 54 SER H H 8.61 . 1 233 . 54 SER HA H 5.61 . 1 234 . 54 SER HB2 H 3.89 . 1 235 . 54 SER HB3 H 3.89 . 1 236 . 55 VAL H H 9.19 . 1 237 . 55 VAL HA H 4.86 . 1 238 . 55 VAL HB H 2.13 . 1 239 . 55 VAL HG1 H .87 . 2 240 . 55 VAL HG2 H .81 . 2 241 . 56 THR H H 8.68 . 1 242 . 56 THR HA H 5.03 . 1 243 . 56 THR HB H 3.96 . 1 244 . 56 THR HG2 H 1.12 . 1 245 . 57 ALA H H 8.6 . 1 246 . 57 ALA HA H 4.36 . 1 247 . 57 ALA HB H 1.51 . 1 248 . 58 ASP H H 8.99 . 1 249 . 58 ASP HA H 4.64 . 1 250 . 58 ASP HB2 H 3.48 . 2 251 . 58 ASP HB3 H 3 . 2 252 . 59 ALA H H 8.3 . 1 253 . 59 ALA HA H 4.18 . 1 254 . 59 ALA HB H 1.5 . 1 255 . 60 ASN H H 8.33 . 1 256 . 60 ASN HA H 4.97 . 1 257 . 60 ASN HB2 H 3.1 . 2 258 . 60 ASN HB3 H 2.91 . 2 259 . 60 ASN HD21 H 6.97 . 2 260 . 60 ASN HD22 H 7.86 . 2 261 . 61 GLY H H 8.63 . 1 262 . 61 GLY HA2 H 4.25 . 2 263 . 61 GLY HA3 H 3.29 . 2 264 . 62 SER H H 8.42 . 1 265 . 62 SER HA H 5.36 . 1 266 . 62 SER HB2 H 4.02 . 2 267 . 62 SER HB3 H 3.98 . 2 268 . 63 ALA H H 8.24 . 1 269 . 63 ALA HA H 4.78 . 1 270 . 63 ALA HB H 1.08 . 1 271 . 64 SER H H 8.54 . 1 272 . 64 SER HA H 5.51 . 1 273 . 64 SER HB2 H 3.93 . 2 274 . 64 SER HB3 H 3.89 . 2 275 . 65 THR H H 9.05 . 1 276 . 65 THR HA H 4.8 . 1 277 . 65 THR HB H 4.24 . 1 278 . 65 THR HG2 H .98 . 1 279 . 66 SER H H 8.46 . 1 280 . 66 SER HA H 5.63 . 1 281 . 66 SER HB2 H 3.84 . 2 282 . 66 SER HB3 H 3.76 . 2 283 . 67 LEU H H 8.98 . 1 284 . 67 LEU HA H 4.74 . 1 285 . 67 LEU HB2 H 1.22 . 1 286 . 67 LEU HB3 H 1.22 . 1 287 . 67 LEU HG H 1.5 . 1 288 . 67 LEU HD1 H 1.07 . 2 289 . 67 LEU HD2 H .69 . 2 290 . 68 THR H H 9.19 . 1 291 . 68 THR HA H 4.74 . 1 292 . 68 THR HB H 4.06 . 1 293 . 68 THR HG2 H 1.06 . 1 294 . 69 VAL H H 8.72 . 1 295 . 69 VAL HA H 4.55 . 1 296 . 70 ARG H H 8.78 . 1 297 . 70 ARG HA H 5.14 . 1 298 . 70 ARG HB2 H 2.32 . 2 299 . 70 ARG HB3 H 1.66 . 2 300 . 70 ARG HD2 H 3.16 . 2 301 . 70 ARG HD3 H 2.33 . 2 302 . 70 ARG HE H 8.1 . 1 303 . 71 ARG H H 9.5 . 1 304 . 71 ARG HA H 2.26 . 1 305 . 71 ARG HB2 H 1.62 . 2 306 . 71 ARG HB3 H 1.47 . 2 307 . 71 ARG HG2 H 1.17 . 2 308 . 71 ARG HG3 H .91 . 2 309 . 71 ARG HD2 H 3.18 . 2 310 . 71 ARG HD3 H 3.16 . 2 311 . 71 ARG HE H 6.95 . 1 312 . 71 ARG HH11 H 7.49 . 1 313 . 71 ARG HH12 H 7.49 . 1 314 . 71 ARG HH21 H 7.49 . 1 315 . 71 ARG HH22 H 7.49 . 1 316 . 72 SER H H 7.53 . 1 317 . 72 SER HA H 5.47 . 1 318 . 72 SER HB2 H 3.65 . 2 319 . 72 SER HB3 H 3.62 . 2 320 . 73 PHE H H 8.5 . 1 321 . 73 PHE HA H 5.03 . 1 322 . 73 PHE HB2 H 3.04 . 2 323 . 73 PHE HB3 H 2.94 . 2 324 . 73 PHE HD1 H 6.99 . 1 325 . 73 PHE HD2 H 6.99 . 1 326 . 73 PHE HE1 H 7.03 . 1 327 . 73 PHE HE2 H 7.03 . 1 328 . 74 GLU H H 9.01 . 1 329 . 74 GLU HA H 4.41 . 1 330 . 74 GLU HB2 H 2.2 . 1 331 . 74 GLU HB3 H 2.2 . 1 332 . 74 GLU HG2 H 2.24 . 1 333 . 74 GLU HG3 H 2.24 . 1 334 . 75 GLY H H 9.28 . 1 335 . 75 GLY HA2 H 5.07 . 2 336 . 75 GLY HA3 H 3.45 . 2 337 . 76 PHE H H 9.6 . 1 338 . 76 PHE HA H 5.43 . 1 339 . 76 PHE HB2 H 3.04 . 2 340 . 76 PHE HB3 H 2.78 . 2 341 . 76 PHE HD1 H 7.43 . 1 342 . 76 PHE HD2 H 7.43 . 1 343 . 76 PHE HE1 H 7.43 . 1 344 . 76 PHE HE2 H 7.43 . 1 345 . 76 PHE HZ H 7.43 . 1 346 . 77 LEU H H 9.54 . 1 347 . 77 LEU HA H 4.95 . 1 348 . 77 LEU HB2 H 2.25 . 2 349 . 77 LEU HB3 H 1.99 . 2 350 . 77 LEU HG H 1.88 . 1 351 . 77 LEU HD1 H 1.16 . 2 352 . 77 LEU HD2 H .88 . 2 353 . 78 PHE H H 9.31 . 1 354 . 78 PHE HA H 4.39 . 1 355 . 78 PHE HB2 H 3.36 . 2 356 . 78 PHE HB3 H 3.29 . 2 357 . 78 PHE HD1 H 7.41 . 1 358 . 78 PHE HD2 H 7.41 . 1 359 . 78 PHE HE1 H 7.41 . 1 360 . 78 PHE HE2 H 7.41 . 1 361 . 78 PHE HZ H 7.41 . 1 362 . 79 ASP H H 7.57 . 1 363 . 79 ASP HA H 4.47 . 1 364 . 79 ASP HB2 H 3.13 . 2 365 . 79 ASP HB3 H 2.41 . 2 366 . 80 GLY H H 8.35 . 1 367 . 80 GLY HA2 H 4.49 . 2 368 . 80 GLY HA3 H 3.78 . 2 369 . 81 THR H H 8.17 . 1 370 . 81 THR HA H 4.2 . 1 371 . 81 THR HB H 4.2 . 1 372 . 81 THR HG2 H 1.31 . 1 373 . 82 ARG H H 8.93 . 1 374 . 82 ARG HA H 3.75 . 1 375 . 82 ARG HB2 H 1.75 . 2 376 . 82 ARG HB3 H 1.64 . 2 377 . 82 ARG HG2 H 1.01 . 2 378 . 82 ARG HG3 H .94 . 2 379 . 82 ARG HD2 H 3.11 . 1 380 . 82 ARG HD3 H 3.11 . 1 381 . 82 ARG HE H 7.7 . 1 382 . 82 ARG HH11 H 7.41 . 1 383 . 82 ARG HH12 H 7.41 . 1 384 . 82 ARG HH21 H 7.41 . 1 385 . 82 ARG HH22 H 7.41 . 1 386 . 83 TRP H H 9.12 . 1 387 . 83 TRP HA H 4.45 . 1 388 . 83 TRP HB2 H 2.96 . 2 389 . 83 TRP HB3 H 2.85 . 2 390 . 83 TRP HD1 H 7.03 . 1 391 . 83 TRP HE1 H 10.37 . 1 392 . 83 TRP HE3 H 7.22 . 1 393 . 83 TRP HZ2 H 7.51 . 1 394 . 83 TRP HZ3 H 6.99 . 1 395 . 83 TRP HH2 H 7.26 . 1 396 . 84 GLY H H 7.28 . 1 397 . 84 GLY HA2 H 3.99 . 2 398 . 84 GLY HA3 H 3.63 . 2 399 . 85 THR H H 8.56 . 1 400 . 85 THR HA H 4.32 . 1 401 . 85 THR HB H 3.88 . 1 402 . 85 THR HG2 H 1.01 . 1 403 . 86 VAL H H 9.15 . 1 404 . 86 VAL HA H 3.84 . 1 405 . 86 VAL HB H .31 . 1 406 . 86 VAL HG1 H .56 . 2 407 . 86 VAL HG2 H .31 . 2 408 . 87 ASP H H 8.41 . 1 409 . 87 ASP HA H 4.91 . 1 410 . 87 ASP HB2 H 3.08 . 2 411 . 87 ASP HB3 H 2.4 . 2 412 . 88 CYS H H 9.29 . 1 413 . 88 CYS HA H 5.01 . 1 414 . 88 CYS HB2 H 3.91 . 2 415 . 88 CYS HB3 H 2.82 . 2 416 . 89 THR H H 9.31 . 1 417 . 89 THR HA H 4.59 . 1 418 . 89 THR HB H 4.36 . 1 419 . 89 THR HG2 H 1.3 . 1 420 . 90 THR H H 7.61 . 1 421 . 90 THR HA H 4.64 . 1 422 . 90 THR HB H 4.39 . 1 423 . 90 THR HG2 H 1.25 . 1 424 . 91 ALA H H 8.46 . 1 425 . 91 ALA HA H 4.64 . 1 426 . 91 ALA HB H 1.31 . 1 427 . 92 ALA H H 8.39 . 1 428 . 92 ALA HA H 4.82 . 1 429 . 92 ALA HB H 1.63 . 1 430 . 93 CYS H H 9.36 . 1 431 . 93 CYS HA H 5.38 . 1 432 . 93 CYS HB2 H 4.02 . 2 433 . 93 CYS HB3 H 3.34 . 2 434 . 94 GLN H H 9.51 . 1 435 . 94 GLN HA H 5.57 . 1 436 . 94 GLN HB2 H 2.18 . 2 437 . 94 GLN HB3 H 1.52 . 2 438 . 94 GLN HG2 H 2.03 . 2 439 . 94 GLN HG3 H 1.94 . 2 440 . 94 GLN HE21 H 7.47 . 2 441 . 94 GLN HE22 H 6.95 . 2 442 . 95 VAL H H 8.95 . 1 443 . 95 VAL HA H 4.91 . 1 444 . 95 VAL HB H 1.75 . 1 445 . 95 VAL HG1 H .81 . 2 446 . 95 VAL HG2 H .71 . 2 447 . 96 GLY H H 8.32 . 1 448 . 96 GLY HA2 H 4.36 . 2 449 . 96 GLY HA3 H 3.88 . 2 450 . 97 LEU H H 7.99 . 1 451 . 97 LEU HA H 5.47 . 1 452 . 97 LEU HB2 H 1.41 . 2 453 . 97 LEU HB3 H 1.18 . 2 454 . 97 LEU HG H 1.49 . 1 455 . 97 LEU HD1 H .59 . 2 456 . 97 LEU HD2 H .43 . 2 457 . 98 SER H H 8.75 . 1 458 . 98 SER HA H 5.2 . 1 459 . 98 SER HB2 H 3.73 . 2 460 . 98 SER HB3 H 3.62 . 2 461 . 99 ASP H H 9.17 . 1 462 . 99 ASP HA H 4.74 . 1 463 . 99 ASP HB2 H 2.96 . 2 464 . 99 ASP HB3 H 2.25 . 2 465 . 100 ALA H H 8.62 . 1 466 . 100 ALA HA H 4.2 . 1 467 . 100 ALA HB H 1.5 . 1 468 . 101 ALA H H 8.03 . 1 469 . 101 ALA HA H 4.55 . 1 470 . 101 ALA HB H 1.5 . 1 471 . 102 GLY H H 8.22 . 1 472 . 102 GLY HA2 H 3.69 . 2 473 . 102 GLY HA3 H 4.16 . 2 474 . 103 ASN H H 8.77 . 1 475 . 103 ASN HA H 5.09 . 1 476 . 103 ASN HB2 H 3.17 . 2 477 . 103 ASN HB3 H 2.84 . 2 478 . 103 ASN HD21 H 8.22 . 2 479 . 103 ASN HD22 H 7.05 . 2 480 . 104 GLY H H 8.11 . 1 481 . 105 PRO HA H 4.43 . 1 482 . 105 PRO HB2 H 1.84 . 1 483 . 105 PRO HB3 H 1.84 . 1 484 . 106 GLU H H 8.7 . 1 485 . 106 GLU HA H 4.3 . 1 486 . 106 GLU HB2 H 2.22 . 2 487 . 106 GLU HB3 H 2.13 . 2 488 . 106 GLU HG2 H 2.66 . 1 489 . 106 GLU HG3 H 2.66 . 1 490 . 107 GLY H H 8.71 . 1 491 . 107 GLY HA2 H 4.18 . 2 492 . 107 GLY HA3 H 3.57 . 2 493 . 108 VAL H H 8.82 . 1 494 . 108 VAL HA H 4.26 . 1 495 . 108 VAL HB H 1.99 . 1 496 . 108 VAL HG1 H 1.13 . 2 497 . 108 VAL HG2 H .98 . 2 498 . 109 ALA H H 8.61 . 1 499 . 109 ALA HA H 4.57 . 1 500 . 109 ALA HB H 1.6 . 1 501 . 110 ILE H H 7.88 . 1 502 . 110 ILE HA H 5.53 . 1 503 . 110 ILE HB H 1.69 . 1 504 . 110 ILE HG12 H 1.61 . 2 505 . 110 ILE HG13 H 1.5 . 2 506 . 110 ILE HG2 H .9 . 1 507 . 110 ILE HD1 H .84 . 1 508 . 111 SER H H 8.11 . 1 509 . 111 SER HA H 5.16 . 1 510 . 111 SER HB2 H 4.01 . 2 511 . 111 SER HB3 H 3.96 . 2 512 . 112 PHE H H 9.15 . 1 513 . 112 PHE HA H 4.76 . 1 514 . 112 PHE HB2 H 3.28 . 2 515 . 112 PHE HB3 H 2.68 . 2 516 . 112 PHE HD1 H 7.03 . 1 517 . 112 PHE HD2 H 7.03 . 1 518 . 112 PHE HE1 H 6.99 . 1 519 . 112 PHE HE2 H 6.99 . 1 520 . 112 PHE HZ H 6.86 . 1 521 . 113 ASN H H 8.51 . 1 522 . 113 ASN HA H 4.59 . 1 523 . 113 ASN HB2 H 2.78 . 1 524 . 113 ASN HB3 H 2.78 . 1 525 . 113 ASN HD21 H 7.43 . 2 526 . 113 ASN HD22 H 6.78 . 2 stop_ save_