data_16221 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Collagen Binding domain of MMP2 ; _BMRB_accession_number 16221 _BMRB_flat_file_name bmr16221.str _Entry_type original _Submission_date 2009-03-23 _Accession_date 2009-03-23 _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 Xu Xiaoping . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 89 "13C chemical shifts" 123 "15N chemical shifts" 43 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-06-24 update BMRB 'complete entry citation' 2009-06-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Nuclear magnetic resonance mapping and functional confirmation of the collagen binding sites of matrix metalloproteinase-2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19459623 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Xiaoping . . 2 Mikhailova Margarita . . 3 Ilangovan Udayar . . 4 Chen Zhihua . . 5 Yu Agnes . . 6 Pal Sanjay . . 7 Hinck Andrew P. . 8 Steffensen Bjorn . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume . _Journal_issue 48 _Journal_ASTM 25 _Journal_ISSN 1520-4995 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5822 _Page_last 5831 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CBD monomer of MMP2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CBD domain' $CBD_of_MMP2 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_CBD_of_MMP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CBD_of_MMP2 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 190 _Mol_residue_sequence ; MATSHHHHHHIEGRASVVRV KYGNADGEYCKFPFLFNGKE YNSCTDTGRSDGFLWCSTTY NFEKDGKYGFCPHEALFTMG GNAEGQPCKFPFRFQGTSYD SCTTEGRTDGYRWCGTTEDY DRDKKYGFCPETAMSTVGGN SEGAPCVFPFTFLGNKYESC TSAGRSDGKMWCATTANYDD DRKWGFCPDQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 THR 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 ILE 12 GLU 13 GLY 14 ARG 15 ALA 16 SER 17 VAL 18 VAL 19 ARG 20 VAL 21 LYS 22 TYR 23 GLY 24 ASN 25 ALA 26 ASP 27 GLY 28 GLU 29 TYR 30 CYS 31 LYS 32 PHE 33 PRO 34 PHE 35 LEU 36 PHE 37 ASN 38 GLY 39 LYS 40 GLU 41 TYR 42 ASN 43 SER 44 CYS 45 THR 46 ASP 47 THR 48 GLY 49 ARG 50 SER 51 ASP 52 GLY 53 PHE 54 LEU 55 TRP 56 CYS 57 SER 58 THR 59 THR 60 TYR 61 ASN 62 PHE 63 GLU 64 LYS 65 ASP 66 GLY 67 LYS 68 TYR 69 GLY 70 PHE 71 CYS 72 PRO 73 HIS 74 GLU 75 ALA 76 LEU 77 PHE 78 THR 79 MET 80 GLY 81 GLY 82 ASN 83 ALA 84 GLU 85 GLY 86 GLN 87 PRO 88 CYS 89 LYS 90 PHE 91 PRO 92 PHE 93 ARG 94 PHE 95 GLN 96 GLY 97 THR 98 SER 99 TYR 100 ASP 101 SER 102 CYS 103 THR 104 THR 105 GLU 106 GLY 107 ARG 108 THR 109 ASP 110 GLY 111 TYR 112 ARG 113 TRP 114 CYS 115 GLY 116 THR 117 THR 118 GLU 119 ASP 120 TYR 121 ASP 122 ARG 123 ASP 124 LYS 125 LYS 126 TYR 127 GLY 128 PHE 129 CYS 130 PRO 131 GLU 132 THR 133 ALA 134 MET 135 SER 136 THR 137 VAL 138 GLY 139 GLY 140 ASN 141 SER 142 GLU 143 GLY 144 ALA 145 PRO 146 CYS 147 VAL 148 PHE 149 PRO 150 PHE 151 THR 152 PHE 153 LEU 154 GLY 155 ASN 156 LYS 157 TYR 158 GLU 159 SER 160 CYS 161 THR 162 SER 163 ALA 164 GLY 165 ARG 166 SER 167 ASP 168 GLY 169 LYS 170 MET 171 TRP 172 CYS 173 ALA 174 THR 175 THR 176 ALA 177 ASN 178 TYR 179 ASP 180 ASP 181 ASP 182 ARG 183 LYS 184 TRP 185 GLY 186 PHE 187 CYS 188 PRO 189 ASP 190 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CBD_of_MMP2 Human 9606 Eukaryota Metazoa Homo sapiens 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 $CBD_of_MMP2 'recombinant technology' . Escherichia coli . pGYMX stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_CBD _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBD_of_MMP2 0.5 mM [U-15N] H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_13C15N_CBD _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBD_of_MMP2 0.5 mM '[U-95% 13C; U-95% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_CBD save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C15N_CBD save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15N_CBD save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C15N_CBD save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C15N_CBD save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C15N_CBD save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C15N_CBD save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N_CBD save_ save_3D_HCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $13C15N_CBD save_ ####################### # Sample conditions # ####################### save_label1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH temperature 300 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) not similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HCACO' stop_ loop_ _Sample_label $15N_CBD $13C15N_CBD stop_ _Sample_conditions_label $label1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CBD domain' _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 9 9 HIS C C 175.169 . 1 2 10 10 HIS H H 7.835 . 1 3 10 10 HIS HA H 4.156 . 1 4 10 10 HIS C C 175.015 . 1 5 10 10 HIS CA C 57.242 . 1 6 10 10 HIS CB C 30.946 . 1 7 10 10 HIS N N 124.418 . 1 8 11 11 ILE H H 7.966 . 1 9 11 11 ILE HA H 4.052 . 1 10 11 11 ILE C C 175.903 . 1 11 11 11 ILE CA C 61.110 . 1 12 11 11 ILE CB C 38.990 . 1 13 11 11 ILE N N 122.919 . 1 14 12 12 GLU H H 8.442 . 1 15 12 12 GLU HA H 4.182 . 1 16 12 12 GLU C C 176.908 . 1 17 12 12 GLU CA C 57.165 . 1 18 12 12 GLU CB C 30.250 . 1 19 12 12 GLU N N 125.020 . 1 20 13 13 GLY H H 8.389 . 1 21 13 13 GLY C C 174.024 . 1 22 13 13 GLY CA C 45.641 . 1 23 13 13 GLY N N 110.366 . 1 24 14 14 ARG H H 8.017 . 1 25 14 14 ARG HA H 7.822 . 1 26 14 14 ARG C C 175.710 . 1 27 14 14 ARG CA C 56.082 . 1 28 14 14 ARG CB C 31.255 . 1 29 14 14 ARG N N 120.242 . 1 30 15 15 ALA H H 8.298 . 1 31 15 15 ALA C C 173.418 . 1 32 15 15 ALA CA C 52.370 . 1 33 15 15 ALA CB C 19.731 . 1 34 15 15 ALA N N 125.328 . 1 35 16 16 SER H H 8.308 . 1 36 16 16 SER HA H 5.270 . 1 37 16 16 SER C C 174.024 . 1 38 16 16 SER CA C 56.778 . 1 39 16 16 SER CB C 40.150 . 1 40 16 16 SER N N 115.960 . 1 41 17 17 VAL H H 8.102 . 1 42 17 17 VAL HA H 9.506 . 1 43 17 17 VAL C C 175.388 . 1 44 17 17 VAL CA C 62.192 . 1 45 17 17 VAL CB C 32.725 . 1 46 17 17 VAL N N 122.598 . 1 47 18 18 VAL H H 8.773 . 1 48 18 18 VAL HA H 4.156 . 1 49 18 18 VAL C C 178.208 . 1 50 18 18 VAL CA C 62.038 . 1 51 18 18 VAL CB C 35.586 . 1 52 18 18 VAL N N 127.629 . 1 53 19 19 ARG H H 8.419 . 1 54 19 19 ARG HA H 4.791 . 1 55 19 19 ARG C C 176.406 . 1 56 19 19 ARG CA C 55.154 . 1 57 19 19 ARG CB C 31.410 . 1 58 19 19 ARG N N 129.958 . 1 59 20 20 VAL H H 8.431 . 1 60 20 20 VAL HA H 4.920 . 1 61 20 20 VAL C C 176.496 . 1 62 20 20 VAL CA C 60.723 . 1 63 20 20 VAL CB C 33.730 . 1 64 20 20 VAL N N 119.506 . 1 65 21 21 LYS H H 8.718 . 1 66 21 21 LYS HA H 4.700 . 1 67 21 21 LYS C C 174.963 . 1 68 21 21 LYS CA C 53.453 . 1 69 21 21 LYS CB C 36.205 . 1 70 21 21 LYS N N 120.590 . 1 71 22 22 TYR H H 9.456 . 1 72 22 22 TYR HA H 4.842 . 1 73 22 22 TYR CA C 57.320 . 1 74 22 22 TYR CB C 35.509 . 1 75 22 22 TYR N N 118.383 . 1 76 23 23 GLY C C 175.903 . 1 77 24 24 ASN H H 8.718 . 1 78 24 24 ASN HA H 4.881 . 1 79 24 24 ASN C C 176.290 . 1 80 24 24 ASN CA C 59.021 . 1 81 24 24 ASN CB C 38.139 . 1 82 24 24 ASN N N 121.634 . 1 83 25 25 ALA H H 7.255 . 1 84 25 25 ALA HA H 4.454 . 1 85 25 25 ALA C C 173.933 . 1 86 25 25 ALA CA C 51.132 . 1 87 25 25 ALA CB C 19.886 . 1 88 25 25 ALA N N 122.517 . 1 89 26 26 ASP H H 7.112 . 1 90 26 26 ASP HA H 5.024 . 1 91 26 26 ASP C C 177.140 . 1 92 26 26 ASP CA C 57.397 . 1 93 26 26 ASP CB C 43.630 . 1 94 26 26 ASP N N 118.182 . 1 95 27 27 GLY H H 8.076 . 1 96 27 27 GLY HA2 H 4.182 . 1 97 27 27 GLY HA3 H 4.182 . 1 98 27 27 GLY C C 174.706 . 1 99 27 27 GLY CA C 45.486 . 1 100 27 27 GLY N N 113.980 . 1 101 28 28 GLU H H 7.947 . 1 102 28 28 GLU HA H 4.260 . 1 103 28 28 GLU C C 173.418 . 1 104 28 28 GLU CA C 55.773 . 1 105 28 28 GLU CB C 29.786 . 1 106 28 28 GLU N N 120.403 . 1 107 29 29 TYR H H 8.272 . 1 108 29 29 TYR HA H 5.283 . 1 109 29 29 TYR C C 177.088 . 1 110 29 29 TYR CA C 56.624 . 1 111 29 29 TYR CB C 40.150 . 1 112 29 29 TYR N N 115.960 . 1 113 30 30 CYS H H 8.435 . 1 114 30 30 CYS HA H 1.216 . 1 115 30 30 CYS C C 175.041 . 1 116 30 30 CYS CA C 53.994 . 1 117 30 30 CYS CB C 38.603 . 1 118 30 30 CYS N N 117.325 . 1 119 31 31 LYS H H 8.389 . 1 120 31 31 LYS HA H 4.260 . 1 121 31 31 LYS C C 176.354 . 1 122 31 31 LYS CA C 53.762 . 1 123 31 31 LYS CB C 31.797 . 1 124 31 31 LYS N N 126.184 . 1 125 32 32 PHE H H 8.059 . 1 126 32 32 PHE HA H 5.684 . 1 127 32 32 PHE CA C 51.674 . 1 128 32 32 PHE CB C 41.155 . 1 129 32 32 PHE N N 119.868 . 1 130 33 33 PRO C C 175.994 . 1 131 34 34 PHE H H 8.495 . 1 132 34 34 PHE HA H 5.322 . 1 133 34 34 PHE C C 172.453 . 1 134 34 34 PHE CA C 56.082 . 1 135 34 34 PHE CB C 41.232 . 1 136 34 34 PHE N N 112.695 . 1 137 35 35 LEU H H 9.097 . 1 138 35 35 LEU HA H 4.946 . 1 139 35 35 LEU C C 173.277 . 1 140 35 35 LEU CA C 53.917 . 1 141 35 35 LEU CB C 44.790 . 1 142 35 35 LEU N N 124.551 . 1 143 36 36 PHE H H 9.546 . 1 144 36 36 PHE HA H 5.257 . 1 145 36 36 PHE C C 181.659 . 1 146 36 36 PHE CA C 57.475 . 1 147 36 36 PHE CB C 42.083 . 1 148 36 36 PHE N N 126.733 . 1 149 37 37 ASN H H 9.626 . 1 150 37 37 ASN HA H 4.661 . 1 151 37 37 ASN C C 176.560 . 1 152 37 37 ASN CA C 57.320 . 1 153 37 37 ASN CB C 41.851 . 1 154 37 37 ASN N N 130.826 . 1 155 38 38 GLY H H 8.655 . 1 156 38 38 GLY HA2 H 3.612 . 1 157 38 38 GLY HA3 H 4.778 . 1 158 38 38 GLY C C 173.212 . 1 159 38 38 GLY CA C 45.950 . 1 160 38 38 GLY N N 130.011 . 1 161 39 39 LYS H H 7.778 . 1 162 39 39 LYS HA H 4.558 . 1 163 39 39 LYS C C 173.817 . 1 164 39 39 LYS CA C 54.613 . 1 165 39 39 LYS CB C 35.973 . 1 166 39 39 LYS N N 121.741 . 1 167 40 40 GLU H H 8.195 . 1 168 40 40 GLU HA H 5.179 . 1 169 40 40 GLU C C 176.586 . 1 170 40 40 GLU CA C 55.000 . 1 171 40 40 GLU CB C 35.741 . 1 172 40 40 GLU N N 120.202 . 1 173 41 41 TYR H H 9.158 . 1 174 41 41 TYR HA H 4.169 . 1 175 41 41 TYR C C 175.569 . 1 176 41 41 TYR CA C 58.248 . 1 177 41 41 TYR CB C 40.923 . 1 178 41 41 TYR N N 122.718 . 1 179 42 42 ASN H H 7.443 . 1 180 42 42 ASN HA H 4.298 . 1 181 42 42 ASN C C 172.053 . 1 182 42 42 ASN N N 119.627 . 1 183 43 43 SER H H 7.440 . 1 184 43 43 SER HA H 5.646 . 1 185 43 43 SER C C 173.290 . 1 186 43 43 SER CA C 56.701 . 1 187 43 43 SER CB C 65.596 . 1 188 43 43 SER N N 110.995 . 1 189 44 44 CYS H H 8.490 . 1 190 44 44 CYS HA H 3.845 . 1 191 44 44 CYS C C 173.071 . 1 192 44 44 CYS N N 115.572 . 1 193 45 45 THR H H 8.776 . 1 194 45 45 THR HA H 4.830 . 1 195 45 45 THR CA C 59.408 . 1 196 45 45 THR CB C 70.313 . 1 197 45 45 THR N N 116.442 . 1 198 46 46 ASP H H 8.137 . 1 199 46 46 ASP HA H 5.283 . 1 200 46 46 ASP C C 177.449 . 1 201 46 46 ASP CA C 53.143 . 1 202 46 46 ASP CB C 40.846 . 1 203 46 46 ASP N N 123.280 . 1 204 47 47 THR H H 8.308 . 1 205 47 47 THR HA H 4.855 . 1 206 47 47 THR C C 175.144 . 1 207 47 47 THR CA C 65.596 . 1 208 47 47 THR CB C 69.540 . 1 209 47 47 THR N N 118.369 . 1 210 48 48 GLY HA2 H 4.713 . 1 211 48 48 GLY HA3 H 4.713 . 1 212 48 48 GLY C C 173.817 . 1 213 49 49 ARG H H 8.004 . 1 214 49 49 ARG HA H 4.661 . 1 215 49 49 ARG CA C 55.464 . 1 216 49 49 ARG CB C 32.957 . 1 217 49 49 ARG N N 117.606 . 1 218 51 51 ASP C C 174.165 . 1 219 52 52 GLY H H 8.809 . 1 220 52 52 GLY HA2 H 4.726 . 1 221 52 52 GLY HA3 H 4.726 . 1 222 52 52 GLY C C 178.157 . 1 223 52 52 GLY CA C 44.945 . 1 224 52 52 GLY N N 106.218 . 1 225 53 53 PHE H H 8.900 . 1 226 53 53 PHE HA H 5.218 . 1 227 53 53 PHE C C 176.676 . 1 228 53 53 PHE CA C 59.640 . 1 229 53 53 PHE CB C 38.680 . 1 230 53 53 PHE N N 116.670 . 1 231 54 54 LEU H H 8.583 . 1 232 54 54 LEU HA H 4.868 . 1 233 54 54 LEU C C 177.783 . 1 234 54 54 LEU CA C 54.535 . 1 235 54 54 LEU CB C 43.785 . 1 236 54 54 LEU N N 119.935 . 1 237 55 55 TRP H H 9.810 . 1 238 55 55 TRP HA H 5.620 . 1 239 55 55 TRP C C 175.775 . 1 240 55 55 TRP CA C 55.928 . 1 241 55 55 TRP CB C 32.725 . 1 242 55 55 TRP N N 123.601 . 1 243 56 56 CYS H H 8.530 . 1 244 56 56 CYS HA H 3.703 . 1 245 56 56 CYS C C 181.067 . 1 246 56 56 CYS CA C 45.718 . 1 247 56 56 CYS CB C 35.277 . 1 248 56 56 CYS N N 110.366 . 1 249 57 57 SER C C 175.066 . 1 250 58 58 THR H H 7.846 . 1 251 58 58 THR HA H 4.661 . 1 252 58 58 THR C C 175.195 . 1 253 58 58 THR CA C 60.182 . 1 254 58 58 THR CB C 70.700 . 1 255 58 58 THR N N 111.477 . 1 stop_ save_