data_19458 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CR1-2-3 ; _BMRB_accession_number 19458 _BMRB_flat_file_name bmr19458.str _Entry_type original _Submission_date 2013-08-27 _Accession_date 2013-08-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Recombinant CR1 fragment, domains 2-3' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park Hyon J. . 2 Guariento Mara J. . 3 Maciejewski Mateusz . . 4 Hauart Richard . . 5 Tham Wai-Hong . . 6 Cowman Alan F. . 7 Schmidt Christoph Q. . 8 Martens Haydyn . . 9 Liszewski Kathryn M. . 10 Hourcade Dennis . . 11 Barlow Paul N. . 12 Atkinson John P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 249 "13C chemical shifts" 152 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-03 update BMRB 'update entry citation' 2013-11-11 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19459 'Recombinant CR1 fragment, domains 1-2' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Using Mutagenesis and Structural Biology to Map the Binding Site for the Plasmodium falciparum Merozoite Protein PfRh4 on the Human Immune Adherence Receptor.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24214979 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park 'Hyon Ju' . . 2 Guariento Mara . . 3 Maciejewski Mateusz . . 4 Hauhart Richard . . 5 Tham Wai-Hong . . 6 Cowman Alan F. . 7 Schmidt Christoph Q. . 8 Mertens Haydyn D.T. . 9 Liszewski 'M. Kathryn' . . 10 Hourcade Dennis E. . 11 Barlow Paul N. . 12 Atkinson John P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 289 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 450 _Page_last 463 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Recombinant CR1 fragment, domains 2-3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Recombinant CR1 fragment, domains 2-3' $CR1_2-3 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_CR1_2-3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CR1_2-3 _Molecular_mass 14275.196 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; EAEAKSCRNPPDPVNGMVHV IKGIQFGSQIKYSCTKGYRL IGSSSATCIISGDTVIWDTE TPICDRIPCGLPPTITNGDF ISTNRENFHYGSVVTYRCNP GSGGRKVFELVGEPSIYCTS NDDQVGIWSGPAPQCI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 57 GLU 2 58 ALA 3 59 GLU 4 60 ALA 5 61 LYS 6 62 SER 7 63 CYS 8 64 ARG 9 65 ASN 10 66 PRO 11 67 PRO 12 68 ASP 13 69 PRO 14 70 VAL 15 71 ASN 16 72 GLY 17 73 MET 18 74 VAL 19 75 HIS 20 76 VAL 21 77 ILE 22 78 LYS 23 79 GLY 24 80 ILE 25 81 GLN 26 82 PHE 27 83 GLY 28 84 SER 29 85 GLN 30 86 ILE 31 87 LYS 32 88 TYR 33 89 SER 34 90 CYS 35 91 THR 36 92 LYS 37 93 GLY 38 94 TYR 39 95 ARG 40 96 LEU 41 97 ILE 42 98 GLY 43 99 SER 44 100 SER 45 101 SER 46 102 ALA 47 103 THR 48 104 CYS 49 105 ILE 50 106 ILE 51 107 SER 52 108 GLY 53 109 ASP 54 110 THR 55 111 VAL 56 112 ILE 57 113 TRP 58 114 ASP 59 115 THR 60 116 GLU 61 117 THR 62 118 PRO 63 119 ILE 64 120 CYS 65 121 ASP 66 122 ARG 67 123 ILE 68 124 PRO 69 125 CYS 70 126 GLY 71 127 LEU 72 128 PRO 73 129 PRO 74 130 THR 75 131 ILE 76 132 THR 77 133 ASN 78 134 GLY 79 135 ASP 80 136 PHE 81 137 ILE 82 138 SER 83 139 THR 84 140 ASN 85 141 ARG 86 142 GLU 87 143 ASN 88 144 PHE 89 145 HIS 90 146 TYR 91 147 GLY 92 148 SER 93 149 VAL 94 150 VAL 95 151 THR 96 152 TYR 97 153 ARG 98 154 CYS 99 155 ASN 100 156 PRO 101 157 GLY 102 158 SER 103 159 GLY 104 160 GLY 105 161 ARG 106 162 LYS 107 163 VAL 108 164 PHE 109 165 GLU 110 166 LEU 111 167 VAL 112 168 GLY 113 169 GLU 114 170 PRO 115 171 SER 116 172 ILE 117 173 TYR 118 174 CYS 119 175 THR 120 176 SER 121 177 ASN 122 178 ASP 123 179 ASP 124 180 GLN 125 181 VAL 126 182 GLY 127 183 ILE 128 184 TRP 129 185 SER 130 186 GLY 131 187 PRO 132 188 ALA 133 189 PRO 134 190 GLN 135 191 CYS 136 192 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 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 2MCY "Cr1 Sushi Domains 2 And 3" 100.00 136 100.00 100.00 1.28e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CR1_2-3 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $CR1_2-3 'recombinant technology' . Pichia pastoris . pPICZaB 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 $CR1_2-3 0.8 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CR1_2-3 0.8 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AZARA _Saveframe_category software _Name AZARA _Version . loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CCPNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'Quality assessment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Recombinant CR1 fragment, domains 2-3' _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 1 114 58 ASP HA H 4.2805 . . 2 114 58 ASP HB2 H 1.3210 . . 3 114 58 ASP HB3 H 1.3210 . . 4 114 58 ASP CA C 52.3800 . . 5 114 58 ASP CB C 19.1000 . . 6 115 59 THR HA H 4.1325 . . 7 115 59 THR CA C 57.1245 . . 8 116 60 GLU H H 8.1727 . . 9 116 60 GLU HA H 4.3237 . . 10 116 60 GLU HB2 H 1.3504 . . 11 116 60 GLU HB3 H 1.3504 . . 12 116 60 GLU CA C 52.1610 . . 13 116 60 GLU CB C 19.4125 . . 14 116 60 GLU N N 125.2150 . . 15 117 61 THR H H 8.2385 . . 16 117 61 THR HA H 4.3071 . . 17 117 61 THR HG1 H 1.3543 . . 18 117 61 THR CA C 55.8360 . . 19 117 61 THR CB C 34.0412 . . 20 117 61 THR N N 121.3460 . . 21 118 62 PRO HA H 4.7141 . . 22 118 62 PRO HB2 H 3.7225 . . 23 118 62 PRO HB3 H 3.5876 . . 24 118 62 PRO CA C 57.7650 . . 25 118 62 PRO CB C 65.4160 . . 26 118 62 PRO N N 115.0620 . . 27 119 63 ILE H H 8.2370 . . 28 119 63 ILE HA H 4.0883 . . 29 119 63 ILE HB H 2.1799 . . 30 119 63 ILE CA C 60.6682 . . 31 119 63 ILE CB C 40.8440 . . 32 119 63 ILE N N 122.0733 . . 33 120 64 CYS H H 8.3883 . . 34 120 64 CYS HA H 4.1915 . . 35 120 64 CYS HB2 H 1.8808 . . 36 120 64 CYS HB3 H 1.8807 . . 37 120 64 CYS HG H 1.7000 . . 38 120 64 CYS CA C 55.7940 . . 39 120 64 CYS CB C 30.6736 . . 40 120 64 CYS N N 118.2019 . . 41 121 65 ASP H H 8.5671 . . 42 121 65 ASP HA H 4.6892 . . 43 121 65 ASP HB2 H 2.6676 . . 44 121 65 ASP HB3 H 2.6652 . . 45 121 65 ASP CA C 52.3460 . . 46 121 65 ASP CB C 38.1085 . . 47 121 65 ASP N N 122.0760 . . 48 122 66 ARG HG2 H 1.8705 . . 49 122 66 ARG HG3 H 1.3573 . . 50 122 66 ARG HD2 H 4.0486 . . 51 122 66 ARG HD3 H 3.8286 . . 52 122 66 ARG CG C 27.2590 . . 53 122 66 ARG CD C 50.3910 . . 54 123 67 ILE HA H 4.4478 . . 55 123 67 ILE CA C 61.8590 . . 56 123 67 ILE CB C 32.6670 . . 57 124 68 PRO HA H 4.6570 . . 58 124 68 PRO HB2 H 2.6440 . . 59 124 68 PRO HB3 H 2.6440 . . 60 124 68 PRO CA C 53.0795 . . 61 124 68 PRO N N 118.4330 . . 62 125 69 CYS HA H 4.2453 . . 63 125 69 CYS HB2 H 2.0863 . . 64 125 69 CYS HB3 H 1.2632 . . 65 125 69 CYS CA C 61.9342 . . 66 125 69 CYS CB C 31.2330 . . 67 126 70 GLY H H 8.0967 . . 68 126 70 GLY CA C 64.6663 . . 69 126 70 GLY N N 125.5886 . . 70 127 71 LEU H H 8.8470 . . 71 127 71 LEU HA H 3.9289 . . 72 127 71 LEU HB2 H 2.4447 . . 73 127 71 LEU HB3 H 1.3214 . . 74 127 71 LEU HD1 H 7.3920 . . 75 127 71 LEU HD2 H 6.7920 . . 76 127 71 LEU CA C 55.7273 . . 77 127 71 LEU CB C 36.6690 . . 78 127 71 LEU N N 119.4068 . . 79 128 72 PRO CA C 46.8942 . . 80 128 72 PRO N N 104.6408 . . 81 129 73 PRO HA H 4.9514 . . 82 129 73 PRO HB2 H 1.7385 . . 83 129 73 PRO HB3 H 1.7385 . . 84 129 73 PRO HG2 H 2.7104 . . 85 129 73 PRO HG3 H 2.5963 . . 86 129 73 PRO CA C 54.4120 . . 87 129 73 PRO CB C 30.5693 . . 88 129 73 PRO CG C 51.6610 . . 89 129 73 PRO N N 116.2587 . . 90 130 74 THR H H 8.8315 . . 91 130 74 THR HA H 4.5701 . . 92 130 74 THR HB H 1.7848 . . 93 130 74 THR HG1 H 0.2650 . . 94 130 74 THR HG2 H 0.6651 . . 95 130 74 THR CA C 59.2390 . . 96 130 74 THR CB C 34.7190 . . 97 130 74 THR CG2 C 18.4766 . . 98 130 74 THR N N 122.8823 . . 99 131 75 ILE H H 8.9420 . . 100 131 75 ILE HA H 4.5680 . . 101 131 75 ILE HB H 2.7410 . . 102 132 76 THR H H 8.6768 . . 103 132 76 THR HA H 4.0894 . . 104 132 76 THR HB H 2.0076 . . 105 132 76 THR HG1 H 0.7701 . . 106 132 76 THR HG2 H 0.8340 . . 107 132 76 THR CA C 62.4644 . . 108 132 76 THR CB C 31.3164 . . 109 132 76 THR CG2 C 21.7440 . . 110 132 76 THR N N 126.9184 . . 111 133 77 ASN H H 7.7891 . . 112 133 77 ASN HA H 4.0579 . . 113 133 77 ASN CA C 62.6032 . . 114 133 77 ASN CB C 38.8340 . . 115 133 77 ASN N N 126.6848 . . 116 134 78 GLY H H 9.2913 . . 117 134 78 GLY CA C 55.8281 . . 118 134 78 GLY N N 123.2827 . . 119 135 79 ASP CA C 44.8855 . . 120 136 80 PHE H H 8.0194 . . 121 136 80 PHE HA H 4.8644 . . 122 136 80 PHE HD1 H 0.9026 . . 123 136 80 PHE HD2 H 0.9026 . . 124 136 80 PHE CA C 60.6030 . . 125 136 80 PHE CB C 38.3280 . . 126 136 80 PHE CD1 C 13.6491 . . 127 136 80 PHE CD2 C 13.6491 . . 128 136 80 PHE N N 109.9600 . . 129 137 81 ILE H H 7.7231 . . 130 137 81 ILE HA H 4.5241 . . 131 137 81 ILE CA C 55.7820 . . 132 137 81 ILE CB C 29.9300 . . 133 137 81 ILE N N 117.7010 . . 134 138 82 SER H H 8.2881 . . 135 138 82 SER HA H 3.8381 . . 136 138 82 SER HB2 H 2.9743 . . 137 138 82 SER HB3 H 2.8147 . . 138 138 82 SER CA C 59.2924 . . 139 138 82 SER CB C 39.4321 . . 140 138 82 SER N N 120.3660 . . 141 139 83 THR H H 8.6452 . . 142 139 83 THR CA C 44.3944 . . 143 139 83 THR N N 117.4820 . . 144 140 84 ASN H H 8.3112 . . 145 140 84 ASN HA H 4.3402 . . 146 140 84 ASN HB2 H 3.8661 . . 147 140 84 ASN HB3 H 3.8544 . . 148 140 84 ASN CA C 60.5560 . . 149 140 84 ASN CB C 64.0532 . . 150 140 84 ASN N N 117.5080 . . 151 141 85 ARG H H 8.0853 . . 152 141 85 ARG HA H 5.7885 . . 153 141 85 ARG HB2 H 2.0269 . . 154 141 85 ARG HB3 H 1.9461 . . 155 141 85 ARG HG2 H 2.3707 . . 156 141 85 ARG HG3 H 2.3708 . . 157 141 85 ARG CA C 54.3245 . . 158 141 85 ARG CB C 32.7215 . . 159 141 85 ARG CG C 34.7220 . . 160 141 85 ARG N N 119.6640 . . 161 142 86 GLU H H 9.0325 . . 162 142 86 GLU HA H 4.7968 . . 163 142 86 GLU HG2 H 0.6414 . . 164 142 86 GLU HG3 H 0.4853 . . 165 142 86 GLU CA C 59.2570 . . 166 142 86 GLU CB C 40.8780 . . 167 142 86 GLU N N 119.0140 . . 168 143 87 ASN H H 7.7355 . . 169 143 87 ASN HA H 5.1779 . . 170 143 87 ASN HB2 H 1.8788 . . 171 143 87 ASN HB3 H 1.5191 . . 172 143 87 ASN HD21 H 1.6159 . . 173 143 87 ASN HD22 H 1.6159 . . 174 143 87 ASN CA C 53.7548 . . 175 143 87 ASN CB C 36.7566 . . 176 143 87 ASN CG C 25.1390 . . 177 143 87 ASN N N 117.9627 . . 178 144 88 PHE H H 8.3773 . . 179 144 88 PHE HA H 5.3702 . . 180 144 88 PHE HB2 H 2.6692 . . 181 144 88 PHE HB3 H 2.4510 . . 182 144 88 PHE HD1 H 6.6681 . . 183 144 88 PHE HD2 H 6.6681 . . 184 144 88 PHE HE1 H 6.4570 . . 185 144 88 PHE HE2 H 6.4570 . . 186 144 88 PHE CA C 56.9736 . . 187 144 88 PHE CB C 43.6126 . . 188 144 88 PHE N N 118.4610 . . 189 145 89 HIS H H 8.9531 . . 190 145 89 HIS HB2 H 3.9540 . . 191 145 89 HIS HB3 H 3.7890 . . 192 145 89 HIS CB C 65.9890 . . 193 145 89 HIS N N 113.5958 . . 194 146 90 TYR H H 8.6330 . . 195 146 90 TYR HA H 5.3050 . . 196 146 90 TYR HB2 H 2.9658 . . 197 146 90 TYR HB3 H 2.4670 . . 198 146 90 TYR CA C 53.1345 . . 199 146 90 TYR CB C 41.9284 . . 200 146 90 TYR N N 115.7800 . . 201 147 91 GLY H H 8.4205 . . 202 147 91 GLY CA C 62.9230 . . 203 147 91 GLY N N 119.4120 . . 204 148 92 SER H H 8.0087 . . 205 148 92 SER HA H 4.0311 . . 206 148 92 SER HB2 H 1.7533 . . 207 148 92 SER HB3 H 1.7107 . . 208 148 92 SER HG H 1.3825 . . 209 148 92 SER CA C 57.8573 . . 210 148 92 SER CB C 31.9710 . . 211 148 92 SER N N 124.1160 . . 212 149 93 VAL H H 8.8093 . . 213 149 93 VAL CA C 43.6151 . . 214 149 93 VAL N N 114.3350 . . 215 150 94 VAL H H 7.9922 . . 216 150 94 VAL HA H 4.8015 . . 217 150 94 VAL CA C 56.4548 . . 218 150 94 VAL CB C 40.2226 . . 219 150 94 VAL N N 119.0440 . . 220 151 95 THR H H 9.5043 . . 221 151 95 THR HA H 4.7876 . . 222 151 95 THR CA C 53.0631 . . 223 151 95 THR CB C 33.3550 . . 224 151 95 THR N N 119.6509 . . 225 152 96 TYR H H 8.3011 . . 226 152 96 TYR HA H 4.6419 . . 227 152 96 TYR HB2 H 1.6018 . . 228 152 96 TYR HB3 H 1.4681 . . 229 152 96 TYR HD1 H 0.5522 . . 230 152 96 TYR HD2 H 0.5522 . . 231 152 96 TYR CA C 56.4660 . . 232 152 96 TYR CB C 42.9247 . . 233 152 96 TYR CG C 27.9720 . . 234 152 96 TYR CD1 C 25.8342 . . 235 152 96 TYR CD2 C 25.8342 . . 236 152 96 TYR N N 126.3720 . . 237 153 97 ARG H H 9.5544 . . 238 153 97 ARG HA H 4.2444 . . 239 153 97 ARG HG2 H 0.8237 . . 240 153 97 ARG HG3 H 0.8237 . . 241 153 97 ARG HD2 H 0.7968 . . 242 153 97 ARG HD3 H 0.7968 . . 243 153 97 ARG CA C 60.6982 . . 244 153 97 ARG CB C 38.0444 . . 245 153 97 ARG N N 130.4250 . . 246 154 98 CYS H H 8.3744 . . 247 154 98 CYS CA C 42.9324 . . 248 154 98 CYS N N 116.5050 . . 249 155 99 ASN H H 8.5678 . . 250 155 99 ASN HA H 4.5590 . . 251 155 99 ASN HB2 H 4.1322 . . 252 155 99 ASN HB3 H 3.8269 . . 253 155 99 ASN CA C 57.8750 . . 254 155 99 ASN CB C 64.0140 . . 255 155 99 ASN N N 116.7450 . . 256 156 100 PRO HA H 4.4087 . . 257 156 100 PRO HB2 H 4.3097 . . 258 156 100 PRO HB3 H 3.9029 . . 259 156 100 PRO CA C 59.2143 . . 260 156 100 PRO CB C 64.0080 . . 261 156 100 PRO N N 116.6697 . . 262 157 101 GLY H H 7.8462 . . 263 157 101 GLY CA C 56.8893 . . 264 157 101 GLY N N 115.2691 . . 265 158 102 SER H H 8.2026 . . 266 158 102 SER HA H 5.1097 . . 267 158 102 SER HB2 H 1.5565 . . 268 158 102 SER HB3 H 1.5565 . . 269 158 102 SER CA C 51.5343 . . 270 158 102 SER CB C 24.4768 . . 271 158 102 SER N N 121.9647 . . 272 159 103 GLY H H 9.3254 . . 273 159 103 GLY CA C 61.2707 . . 274 159 103 GLY N N 117.4750 . . 275 160 104 GLY H H 8.2788 . . 276 160 104 GLY CA C 55.2342 . . 277 160 104 GLY N N 127.4700 . . 278 161 105 ARG H H 9.2020 . . 279 161 105 ARG HA H 4.8329 . . 280 161 105 ARG HG2 H 0.8976 . . 281 161 105 ARG HG3 H 0.8976 . . 282 161 105 ARG HD2 H 0.8691 . . 283 161 105 ARG HD3 H 0.8691 . . 284 161 105 ARG CA C 59.9527 . . 285 161 105 ARG CB C 42.2136 . . 286 161 105 ARG N N 126.4460 . . 287 162 106 LYS H H 7.9331 . . 288 162 106 LYS HA H 4.3791 . . 289 162 106 LYS HG2 H 0.7754 . . 290 162 106 LYS HG3 H 0.7754 . . 291 162 106 LYS HD2 H 0.4043 . . 292 162 106 LYS HD3 H 0.4043 . . 293 162 106 LYS CA C 61.1520 . . 294 162 106 LYS CB C 39.4636 . . 295 162 106 LYS N N 118.4460 . . 296 163 107 VAL H H 8.2920 . . 297 163 107 VAL HA H 4.4800 . . 298 163 107 VAL HB H 3.4603 . . 299 163 107 VAL CA C 56.4600 . . 300 163 107 VAL CB C 63.7363 . . 301 163 107 VAL N N 121.3450 . . 302 164 108 PHE CA C 47.4220 . . 303 165 109 GLU H H 8.6473 . . 304 165 109 GLU HB2 H 2.6410 . . 305 165 109 GLU HB3 H 2.6410 . . 306 165 109 GLU N N 126.3640 . . 307 166 110 LEU H H 7.9407 . . 308 166 110 LEU HA H 4.6539 . . 309 166 110 LEU CA C 59.5070 . . 310 166 110 LEU CB C 71.0627 . . 311 166 110 LEU N N 114.5680 . . 312 167 111 VAL H H 8.1149 . . 313 167 111 VAL HA H 5.1067 . . 314 167 111 VAL HB H 1.8973 . . 315 167 111 VAL HG1 H 0.5394 . . 316 167 111 VAL HG2 H 0.5812 . . 317 167 111 VAL CA C 59.6190 . . 318 167 111 VAL CB C 33.2148 . . 319 167 111 VAL CG1 C 20.3566 . . 320 167 111 VAL CG2 C 22.7841 . . 321 167 111 VAL N N 118.9270 . . 322 168 112 GLY H H 8.8378 . . 323 168 112 GLY CA C 59.7710 . . 324 168 112 GLY N N 119.0140 . . 325 169 113 GLU H H 7.4816 . . 326 169 113 GLU HA H 5.0608 . . 327 169 113 GLU HB2 H 3.3577 . . 328 169 113 GLU HB3 H 3.0909 . . 329 169 113 GLU CA C 56.4542 . . 330 169 113 GLU CB C 30.4857 . . 331 169 113 GLU N N 122.0729 . . 332 170 114 PRO HA H 4.1667 . . 333 170 114 PRO HB2 H 3.1175 . . 334 170 114 PRO HB3 H 2.8537 . . 335 170 114 PRO CA C 55.7990 . . 336 170 114 PRO CB C 39.8268 . . 337 170 114 PRO N N 123.2787 . . 338 171 115 SER H H 7.5050 . . 339 171 115 SER HA H 4.6285 . . 340 171 115 SER CA C 60.2360 . . 341 171 115 SER CB C 71.3776 . . 342 171 115 SER N N 112.3860 . . 343 172 116 ILE H H 8.1930 . . 344 172 116 ILE HA H 4.3487 . . 345 172 116 ILE CA C 55.5950 . . 346 172 116 ILE CB C 31.0460 . . 347 172 116 ILE N N 122.3170 . . 348 173 117 TYR H H 8.0946 . . 349 173 117 TYR HA H 3.6496 . . 350 173 117 TYR CA C 61.9020 . . 351 173 117 TYR CB C 70.0200 . . 352 173 117 TYR N N 120.6250 . . 353 174 118 CYS HA H 4.5328 . . 354 174 118 CYS HB2 H 1.9537 . . 355 174 118 CYS HB3 H 1.5234 . . 356 174 118 CYS CA C 62.5483 . . 357 174 118 CYS CB C 32.7520 . . 358 175 119 THR H H 7.7770 . . 359 175 119 THR HA H 4.2235 . . 360 175 119 THR HB H 1.7010 . . 361 175 119 THR HG2 H 0.8372 . . 362 175 119 THR CA C 58.9830 . . 363 175 119 THR CB C 41.1930 . . 364 175 119 THR CG2 C 17.7470 . . 365 175 119 THR N N 114.6690 . . 366 176 120 SER H H 8.6270 . . 367 176 120 SER HA H 5.3997 . . 368 176 120 SER HB2 H 3.1365 . . 369 176 120 SER HB3 H 2.4096 . . 370 176 120 SER CA C 53.7499 . . 371 176 120 SER CB C 41.2305 . . 372 176 120 SER N N 123.2840 . . 373 177 121 ASN H H 9.3191 . . 374 177 121 ASN HA H 5.1880 . . 375 177 121 ASN HB2 H 2.6633 . . 376 177 121 ASN HB3 H 2.4360 . . 377 177 121 ASN CA C 52.1236 . . 378 177 121 ASN CB C 44.9555 . . 379 177 121 ASN N N 126.1820 . . 380 178 122 ASP H H 8.5138 . . 381 178 122 ASP HA H 3.3891 . . 382 178 122 ASP HB2 H 1.4172 . . 383 178 122 ASP HB3 H 1.4121 . . 384 178 122 ASP CA C 57.2723 . . 385 178 122 ASP CB C 30.6504 . . 386 178 122 ASP CG C 27.5030 . . 387 178 122 ASP N N 127.2830 . . 388 179 123 ASP H H 8.0209 . . 389 179 123 ASP HA H 3.8447 . . 390 179 123 ASP CA C 60.8600 . . 391 179 123 ASP CB C 40.1410 . . 392 179 123 ASP N N 127.1520 . . 393 180 124 GLN HA H 4.9729 . . 394 180 124 GLN HB2 H 2.0964 . . 395 180 124 GLN HB3 H 1.8854 . . 396 180 124 GLN HG2 H 1.8540 . . 397 180 124 GLN HG3 H 1.6440 . . 398 180 124 GLN CA C 62.3190 . . 399 180 124 GLN CB C 32.6710 . . 400 180 124 GLN CD C 50.8875 . . 401 181 125 VAL H H 7.7744 . . 402 181 125 VAL HA H 4.4882 . . 403 181 125 VAL CA C 57.8440 . . 404 181 125 VAL CB C 48.0581 . . 405 181 125 VAL N N 115.0466 . . 406 182 126 GLY H H 8.1976 . . 407 182 126 GLY HA2 H 4.3253 . . 408 182 126 GLY HA3 H 3.7872 . . 409 182 126 GLY CA C 43.8680 . . 410 182 126 GLY N N 107.0669 . . 411 183 127 ILE H H 7.9964 . . 412 183 127 ILE HA H 4.1362 . . 413 183 127 ILE HD1 H 1.0907 . . 414 183 127 ILE CA C 54.4040 . . 415 183 127 ILE CB C 40.8100 . . 416 183 127 ILE CD1 C 25.2490 . . 417 183 127 ILE N N 117.4807 . . 418 184 128 TRP HA H 3.0495 . . 419 184 128 TRP HB2 H 0.8873 . . 420 184 128 TRP HB3 H -0.3776 . . 421 184 128 TRP HD1 H 2.4271 . . 422 184 128 TRP CA C 60.5600 . . 423 184 128 TRP CB C 28.6070 . . 424 184 128 TRP CG C 25.2080 . . 425 185 129 SER HA H 4.1848 . . 426 185 129 SER HB2 H 2.1756 . . 427 185 129 SER HB3 H 1.5719 . . 428 185 129 SER HG H 1.7915 . . 429 185 129 SER CA C 62.5678 . . 430 185 129 SER CB C 32.0221 . . 431 186 130 GLY H H 7.9807 . . 432 186 130 GLY CA C 61.9159 . . 433 186 130 GLY N N 116.0006 . . 434 187 131 PRO HA H 4.6060 . . 435 187 131 PRO HG2 H 0.7199 . . 436 187 131 PRO HG3 H 0.7199 . . 437 187 131 PRO HD2 H 0.4790 . . 438 187 131 PRO HD3 H 0.4790 . . 439 187 131 PRO CA C 58.5140 . . 440 187 131 PRO CB C 41.5150 . . 441 187 131 PRO N N 119.8890 . . 442 188 132 ALA H H 8.0476 . . 443 188 132 ALA HA H 4.0415 . . 444 188 132 ALA CA C 63.2116 . . 445 188 132 ALA CB C 68.7096 . . 446 188 132 ALA N N 121.3470 . . 447 189 133 PRO HA H 4.0125 . . 448 189 133 PRO HB2 H 2.4338 . . 449 189 133 PRO HB3 H 1.8831 . . 450 189 133 PRO CA C 55.1130 . . 451 189 133 PRO CB C 36.0894 . . 452 189 133 PRO N N 117.9600 . . 453 190 134 GLN H H 7.0512 . . 454 190 134 GLN CA C 46.2488 . . 455 190 134 GLN N N 102.7058 . . 456 191 135 CYS H H 8.7377 . . 457 191 135 CYS HA H 4.8490 . . 458 191 135 CYS HB2 H 2.6860 . . 459 191 135 CYS HB3 H 2.4977 . . 460 191 135 CYS CA C 52.3990 . . 461 191 135 CYS CB C 43.6127 . . 462 191 135 CYS N N 118.4460 . . 463 192 136 ILE H H 8.4248 . . 464 192 136 ILE HA H 5.3122 . . 465 192 136 ILE HD1 H 6.7484 . . 466 192 136 ILE CA C 55.0478 . . 467 192 136 ILE CB C 41.1686 . . 468 192 136 ILE N N 114.4590 . . stop_ save_