data_27981 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments for C. elegans STIM EF-SAM in the presence of calcium. ; _BMRB_accession_number 27981 _BMRB_flat_file_name bmr27981.str _Entry_type original _Submission_date 2019-07-22 _Accession_date 2019-07-22 _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 Enomoto Masahiro . . 2 Nishikawa Tadateru . . 3 Back Sung-In . . 4 Ishiyama Noboru . . 5 Zheng Le . . 6 Stathopulos Peter B. . 7 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 147 "13C chemical shifts" 465 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-05 update BMRB 'update entry citation' 2019-11-07 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27982 'Ca2+ depleted form 1' 27983 'Ca2+ depleted form 2' stop_ _Original_release_date 2019-07-22 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Coordination of a single calcium ion in the EF-hand maintains the off state of the stromal interaction molecule luminal domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31626806 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Enomoto Masahiro . . 2 Nishikawa Tadateru . . 3 Back Sung-In . . 4 Ishiyama Noboru . . 5 Zheng Le . . 6 Stathopulos Peter B. . 7 Ikura Mitsuhiko . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 432 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 367 _Page_last 383 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ca2+ loaded monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $stromal_interaction_molecule metal $entity_CA 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_stromal_interaction_molecule _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common stromal_interaction_molecule _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'calcium sensing' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; GSHMASDRVTRNVEVTAEEE KIRDKLGYEAIRDIHRDMDD DHSGSIDRNESTGFMKEDMQ MRGSERTRRENKFHGDDDAI TVDDLWEAWFESIERTWTNE RLVEWLINDVNLPSIVEAVK AKKIDGKILPRFASPNSDFL NKELGIKSSVYRQKLRLNSL DVVLFGYKDNNNRTKD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 ALA 6 SER 7 ASP 8 ARG 9 VAL 10 THR 11 ARG 12 ASN 13 VAL 14 GLU 15 VAL 16 THR 17 ALA 18 GLU 19 GLU 20 GLU 21 LYS 22 ILE 23 ARG 24 ASP 25 LYS 26 LEU 27 GLY 28 TYR 29 GLU 30 ALA 31 ILE 32 ARG 33 ASP 34 ILE 35 HIS 36 ARG 37 ASP 38 MET 39 ASP 40 ASP 41 ASP 42 HIS 43 SER 44 GLY 45 SER 46 ILE 47 ASP 48 ARG 49 ASN 50 GLU 51 SER 52 THR 53 GLY 54 PHE 55 MET 56 LYS 57 GLU 58 ASP 59 MET 60 GLN 61 MET 62 ARG 63 GLY 64 SER 65 GLU 66 ARG 67 THR 68 ARG 69 ARG 70 GLU 71 ASN 72 LYS 73 PHE 74 HIS 75 GLY 76 ASP 77 ASP 78 ASP 79 ALA 80 ILE 81 THR 82 VAL 83 ASP 84 ASP 85 LEU 86 TRP 87 GLU 88 ALA 89 TRP 90 PHE 91 GLU 92 SER 93 ILE 94 GLU 95 ARG 96 THR 97 TRP 98 THR 99 ASN 100 GLU 101 ARG 102 LEU 103 VAL 104 GLU 105 TRP 106 LEU 107 ILE 108 ASN 109 ASP 110 VAL 111 ASN 112 LEU 113 PRO 114 SER 115 ILE 116 VAL 117 GLU 118 ALA 119 VAL 120 LYS 121 ALA 122 LYS 123 LYS 124 ILE 125 ASP 126 GLY 127 LYS 128 ILE 129 LEU 130 PRO 131 ARG 132 PHE 133 ALA 134 SER 135 PRO 136 ASN 137 SER 138 ASP 139 PHE 140 LEU 141 ASN 142 LYS 143 GLU 144 LEU 145 GLY 146 ILE 147 LYS 148 SER 149 SER 150 VAL 151 TYR 152 ARG 153 GLN 154 LYS 155 LEU 156 ARG 157 LEU 158 ASN 159 SER 160 LEU 161 ASP 162 VAL 163 VAL 164 LEU 165 PHE 166 GLY 167 TYR 168 LYS 169 ASP 170 ASN 171 ASN 172 ASN 173 ARG 174 THR 175 LYS 176 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value NCBI ABG89384.1 'stromal interaction molecule-1 [Caenorhabditis elegans]' . . . . . UNP G5EF60 STIM1_CAEEL . . . . . stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $stromal_interaction_molecule roundworm 6293 Eukaryota Metazoa Caenorhabditis elegans 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 $stromal_interaction_molecule 'recombinant technology' . Escherichia coli . pET28a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $stromal_interaction_molecule 0.2 mM 0.1 0.3 '[U-99% 15N]' TRIS 20 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' $entity_CA 5 mM . . '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_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . 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 Avance _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 110 . mM pH 7.5 . pH pressure 1 . atm temperature 288 . K stop_ save_ save_condition_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 110 . mM pD 7.9 . pD pressure 1 . atm temperature 288 . 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_holo _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein _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 7 7 ASP C C 176.1141 0.0000 1 2 7 7 ASP CA C 54.4512 0.0000 1 3 7 7 ASP CB C 41.0234 0.0000 1 4 8 8 ARG H H 8.0239 0.0000 1 5 8 8 ARG C C 176.2734 0.0000 1 6 8 8 ARG CA C 56.2379 0.0000 1 7 8 8 ARG CB C 30.4542 0.0000 1 8 8 8 ARG N N 121.1656 0.0000 1 9 9 9 VAL H H 7.9782 0.0000 1 10 9 9 VAL C C 176.4430 0.0000 1 11 9 9 VAL CA C 62.5577 0.0000 1 12 9 9 VAL CB C 33.1473 0.0000 1 13 9 9 VAL N N 121.6186 0.0000 1 14 10 10 THR H H 8.1371 0.0000 1 15 10 10 THR C C 174.2282 0.0000 1 16 10 10 THR CA C 61.9057 0.0000 1 17 10 10 THR CB C 69.8795 0.0000 1 18 10 10 THR N N 118.9721 0.0000 1 19 12 12 ASN C C 175.0195 0.0000 1 20 12 12 ASN CA C 53.3679 0.0000 1 21 12 12 ASN CB C 38.8958 0.0000 1 22 13 13 VAL H H 7.9885 0.0000 1 23 13 13 VAL C C 175.9751 0.0000 1 24 13 13 VAL CA C 62.2748 0.0000 1 25 13 13 VAL CB C 32.7790 0.0000 1 26 13 13 VAL N N 120.4518 0.0000 1 27 14 14 GLU H H 8.4293 0.0000 1 28 14 14 GLU C C 176.2735 0.0000 1 29 14 14 GLU CA C 56.8889 0.0000 1 30 14 14 GLU CB C 30.4516 0.0000 1 31 14 14 GLU N N 124.7275 0.0000 1 32 15 15 VAL H H 7.9031 0.0000 1 33 15 15 VAL C C 175.8298 0.0000 1 34 15 15 VAL CA C 61.8653 0.0000 1 35 15 15 VAL CB C 33.6205 0.0000 1 36 15 15 VAL N N 121.0908 0.0000 1 37 16 16 THR H H 8.0159 0.0000 1 38 16 16 THR C C 175.0663 0.0000 1 39 16 16 THR CA C 60.4069 0.0000 1 40 16 16 THR CB C 71.7450 0.0000 1 41 16 16 THR N N 115.4123 0.0000 1 42 17 17 ALA H H 8.6508 0.0000 1 43 17 17 ALA C C 180.6475 0.0000 1 44 17 17 ALA CA C 54.8872 0.0000 1 45 17 17 ALA CB C 18.0001 0.0000 1 46 17 17 ALA N N 124.8731 0.0000 1 47 18 18 GLU H H 7.9405 0.0000 1 48 18 18 GLU C C 179.1081 0.0000 1 49 18 18 GLU CA C 59.2299 0.0000 1 50 18 18 GLU CB C 29.3924 0.0000 1 51 18 18 GLU N N 117.3557 0.0000 1 52 19 19 GLU H H 7.4835 0.0000 1 53 19 19 GLU C C 180.0335 0.0000 1 54 19 19 GLU CA C 58.7478 0.0000 1 55 19 19 GLU CB C 29.8718 0.0000 1 56 19 19 GLU N N 120.8610 0.0000 1 57 20 20 GLU H H 8.2780 0.0000 1 58 20 20 GLU C C 177.4535 0.0000 1 59 20 20 GLU CA C 57.4797 0.0000 1 60 20 20 GLU CB C 29.1740 0.0000 1 61 20 20 GLU N N 122.5152 0.0000 1 62 21 21 LYS H H 7.2115 0.0000 1 63 21 21 LYS C C 176.7177 0.0000 1 64 21 21 LYS CA C 59.5789 0.0000 1 65 21 21 LYS CB C 32.7901 0.0000 1 66 21 21 LYS N N 118.6037 0.0000 1 67 22 22 ILE H H 6.7454 0.0000 1 68 22 22 ILE C C 177.8820 0.0000 1 69 22 22 ILE CA C 62.0460 0.0000 1 70 22 22 ILE CB C 38.1784 0.0000 1 71 22 22 ILE N N 114.1716 0.0000 1 72 23 23 ARG H H 7.1725 0.0000 1 73 23 23 ARG C C 177.3103 0.0000 1 74 23 23 ARG CA C 58.7714 0.0000 1 75 23 23 ARG CB C 31.0291 0.0000 1 76 23 23 ARG N N 120.0825 0.0000 1 77 24 24 ASP H H 8.6943 0.0000 1 78 24 24 ASP C C 174.9565 0.0000 1 79 24 24 ASP CA C 51.3981 0.0000 1 80 24 24 ASP CB C 40.0463 0.0000 1 81 24 24 ASP N N 121.6252 0.0000 1 82 25 25 LYS H H 6.9903 0.0000 1 83 25 25 LYS C C 179.2198 0.0000 1 84 25 25 LYS CA C 59.9186 0.0000 1 85 25 25 LYS CB C 33.0187 0.0000 1 86 25 25 LYS N N 122.1060 0.0000 1 87 26 26 LEU H H 8.4554 0.0000 1 88 26 26 LEU C C 180.6494 0.0000 1 89 26 26 LEU CA C 57.3521 0.0000 1 90 26 26 LEU CB C 40.5539 0.0000 1 91 26 26 LEU N N 116.1965 0.0000 1 92 27 27 GLY H H 7.5251 0.0000 1 93 27 27 GLY C C 175.0330 0.0000 1 94 27 27 GLY CA C 47.8842 0.0000 1 95 27 27 GLY N N 112.5403 0.0000 1 96 28 28 TYR H H 8.2539 0.0000 1 97 28 28 TYR C C 177.2493 0.0000 1 98 28 28 TYR CA C 61.3027 0.0000 1 99 28 28 TYR CB C 37.2519 0.0000 1 100 28 28 TYR N N 123.6666 0.0000 1 101 29 29 GLU H H 8.4802 0.0000 1 102 29 29 GLU C C 178.0588 0.0000 1 103 29 29 GLU CA C 59.4176 0.0000 1 104 29 29 GLU CB C 29.6805 0.0000 1 105 29 29 GLU N N 118.7272 0.0000 1 106 30 30 ALA H H 7.3296 0.0000 1 107 30 30 ALA C C 179.5281 0.0000 1 108 30 30 ALA CA C 54.9922 0.0000 1 109 30 30 ALA CB C 18.3073 0.0000 1 110 30 30 ALA N N 121.4605 0.0000 1 111 31 31 ILE H H 7.8099 0.0000 1 112 31 31 ILE C C 177.6261 0.0000 1 113 31 31 ILE CA C 62.2172 0.0000 1 114 31 31 ILE CB C 34.5734 0.0000 1 115 31 31 ILE N N 120.6258 0.0000 1 116 32 32 ARG H H 8.4028 0.0000 1 117 32 32 ARG C C 178.2973 0.0000 1 118 32 32 ARG CA C 60.2222 0.0000 1 119 32 32 ARG CB C 29.5227 0.0000 1 120 32 32 ARG N N 121.6754 0.0000 1 121 33 33 ASP H H 8.2485 0.0000 1 122 33 33 ASP C C 179.4503 0.0000 1 123 33 33 ASP CA C 57.6179 0.0000 1 124 33 33 ASP CB C 40.4541 0.0000 1 125 33 33 ASP N N 122.1062 0.0000 1 126 34 34 ILE H H 8.3912 0.0000 1 127 34 34 ILE C C 177.1045 0.0000 1 128 34 34 ILE CA C 65.3496 0.0000 1 129 34 34 ILE CB C 39.0312 0.0000 1 130 34 34 ILE N N 123.7072 0.0000 1 131 35 35 HIS H H 8.4669 0.0000 1 132 35 35 HIS C C 177.2523 0.0000 1 133 35 35 HIS CA C 61.5423 0.0000 1 134 35 35 HIS CB C 31.6924 0.0000 1 135 35 35 HIS N N 120.7589 0.0000 1 136 36 36 ARG H H 8.4551 0.0000 1 137 36 36 ARG C C 178.8140 0.0000 1 138 36 36 ARG CA C 59.3102 0.0000 1 139 36 36 ARG CB C 30.2860 0.0000 1 140 36 36 ARG N N 117.3281 0.0000 1 141 37 37 ASP H H 7.3277 0.0000 1 142 37 37 ASP C C 177.1030 0.0000 1 143 37 37 ASP CA C 56.4668 0.0000 1 144 37 37 ASP CB C 42.2756 0.0000 1 145 37 37 ASP N N 118.1103 0.0000 1 146 38 38 MET H H 7.2204 0.0000 1 147 38 38 MET C C 177.2552 0.0000 1 148 38 38 MET CA C 57.5963 0.0000 1 149 38 38 MET CB C 34.9486 0.0000 1 150 38 38 MET N N 115.4107 0.0000 1 151 39 39 ASP H H 7.5860 0.0000 1 152 39 39 ASP C C 176.5069 0.0000 1 153 39 39 ASP CA C 52.4896 0.0000 1 154 39 39 ASP CB C 39.2320 0.0000 1 155 39 39 ASP N N 119.3560 0.0000 1 156 40 40 ASP H H 7.4043 0.0000 1 157 40 40 ASP C C 176.5916 0.0000 1 158 40 40 ASP CA C 57.3141 0.0000 1 159 40 40 ASP CB C 40.9899 0.0000 1 160 40 40 ASP N N 126.4763 0.0000 1 161 41 41 ASP H H 7.7826 0.0000 1 162 41 41 ASP C C 176.8164 0.0000 1 163 41 41 ASP CA C 52.5225 0.0000 1 164 41 41 ASP CB C 39.6116 0.0000 1 165 41 41 ASP N N 113.8957 0.0000 1 166 42 42 HIS H H 8.1195 0.0000 1 167 42 42 HIS C C 175.1955 0.0000 1 168 42 42 HIS CA C 56.2497 0.0000 1 169 42 42 HIS CB C 26.6732 0.0000 1 170 42 42 HIS N N 115.1462 0.0000 1 171 43 43 SER H H 8.4916 0.0000 1 172 43 43 SER C C 176.4171 0.0000 1 173 43 43 SER CA C 59.8417 0.0000 1 174 43 43 SER CB C 65.0068 0.0000 1 175 43 43 SER N N 115.3834 0.0000 1 176 44 44 GLY H H 10.8814 0.0000 1 177 44 44 GLY C C 173.7831 0.0000 1 178 44 44 GLY CA C 45.1761 0.0000 1 179 44 44 GLY N N 116.7522 0.0000 1 180 45 45 SER H H 7.8631 0.0000 1 181 45 45 SER C C 172.4067 0.0000 1 182 45 45 SER CA C 56.4791 0.0000 1 183 45 45 SER CB C 65.4284 0.0000 1 184 45 45 SER N N 113.5433 0.0000 1 185 46 46 ILE H H 9.4581 0.0000 1 186 46 46 ILE C C 175.5352 0.0000 1 187 46 46 ILE CA C 59.9961 0.0000 1 188 46 46 ILE CB C 39.8600 0.0000 1 189 46 46 ILE N N 130.8417 0.0000 1 190 47 47 ASP H H 8.6987 0.0000 1 191 47 47 ASP C C 176.2143 0.0000 1 192 47 47 ASP CA C 51.9945 0.0000 1 193 47 47 ASP CB C 42.6353 0.0000 1 194 47 47 ASP N N 130.5559 0.0000 1 195 48 48 ARG H H 8.4993 0.0000 1 196 48 48 ARG C C 179.5936 0.0000 1 197 48 48 ARG CA C 58.6945 0.0000 1 198 48 48 ARG CB C 29.5979 0.0000 1 199 48 48 ARG N N 116.8268 0.0000 1 200 49 49 ASN H H 8.2422 0.0000 1 201 49 49 ASN C C 179.3950 0.0000 1 202 49 49 ASN CA C 56.2767 0.0000 1 203 49 49 ASN CB C 38.2324 0.0000 1 204 49 49 ASN N N 120.1865 0.0000 1 205 50 50 GLU H H 8.8746 0.0000 1 206 50 50 GLU C C 180.7867 0.0000 1 207 50 50 GLU CA C 58.8788 0.0000 1 208 50 50 GLU CB C 30.1061 0.0000 1 209 50 50 GLU N N 123.7244 0.0000 1 210 51 51 SER H H 9.3743 0.0000 1 211 51 51 SER CA C 62.0641 0.0000 1 212 51 51 SER N N 120.6421 0.0000 1 213 52 52 THR C C 177.3270 0.0000 1 214 52 52 THR CA C 67.5305 0.0000 1 215 52 52 THR CB C 68.6158 0.0000 1 216 53 53 GLY H H 8.0885 0.0000 1 217 53 53 GLY C C 174.8032 0.0000 1 218 53 53 GLY CA C 47.5187 0.0000 1 219 53 53 GLY N N 110.7813 0.0000 1 220 54 54 PHE H H 7.9497 0.0000 1 221 54 54 PHE C C 178.3540 0.0000 1 222 54 54 PHE CA C 61.3239 0.0000 1 223 54 54 PHE CB C 39.8454 0.0000 1 224 54 54 PHE N N 123.6812 0.0000 1 225 55 55 MET H H 8.1145 0.0000 1 226 55 55 MET C C 177.3872 0.0000 1 227 55 55 MET CA C 59.3940 0.0000 1 228 55 55 MET CB C 35.4094 0.0000 1 229 55 55 MET N N 116.6402 0.0000 1 230 56 56 LYS H H 8.1710 0.0000 1 231 56 56 LYS C C 177.7217 0.0000 1 232 56 56 LYS CA C 59.3794 0.0000 1 233 56 56 LYS CB C 34.3570 0.0000 1 234 56 56 LYS N N 117.9531 0.0000 1 235 57 57 GLU H H 8.4363 0.0000 1 236 57 57 GLU C C 176.5913 0.0000 1 237 57 57 GLU CA C 57.3631 0.0000 1 238 57 57 GLU CB C 29.4250 0.0000 1 239 57 57 GLU N N 117.6575 0.0000 1 240 58 58 ASP H H 8.2381 0.0000 1 241 58 58 ASP C C 177.7233 0.0000 1 242 58 58 ASP CA C 56.6691 0.0000 1 243 58 58 ASP CB C 39.6998 0.0000 1 244 58 58 ASP N N 120.2569 0.0000 1 245 59 59 MET H H 7.0579 0.0000 1 246 59 59 MET C C 174.4368 0.0000 1 247 59 59 MET CA C 55.5792 0.0000 1 248 59 59 MET CB C 35.6099 0.0000 1 249 59 59 MET N N 110.8681 0.0000 1 250 60 60 GLN H H 6.7931 0.0000 1 251 60 60 GLN C C 175.1109 0.0000 1 252 60 60 GLN CA C 56.9331 0.0000 1 253 60 60 GLN CB C 26.3274 0.0000 1 254 60 60 GLN N N 112.9691 0.0000 1 255 61 61 MET H H 8.3009 0.0000 1 256 61 61 MET C C 176.8629 0.0000 1 257 61 61 MET CA C 55.5898 0.0000 1 258 61 61 MET CB C 33.8566 0.0000 1 259 61 61 MET N N 118.4369 0.0000 1 260 62 62 ARG H H 8.7192 0.0000 1 261 62 62 ARG C C 177.2726 0.0000 1 262 62 62 ARG CA C 55.4469 0.0000 1 263 62 62 ARG CB C 32.0711 0.0000 1 264 62 62 ARG N N 124.0012 0.0000 1 265 64 64 SER C C 176.4689 0.0000 1 266 64 64 SER CA C 60.8431 0.0000 1 267 64 64 SER CB C 61.2415 0.0000 1 268 65 65 GLU H H 7.7058 0.0000 1 269 65 65 GLU C C 178.4179 0.0000 1 270 65 65 GLU CA C 57.9837 0.0000 1 271 65 65 GLU CB C 29.9952 0.0000 1 272 65 65 GLU N N 121.6536 0.0000 1 273 66 66 ARG H H 7.4309 0.0000 1 274 66 66 ARG C C 177.9653 0.0000 1 275 66 66 ARG CA C 58.9700 0.0000 1 276 66 66 ARG CB C 30.8280 0.0000 1 277 66 66 ARG N N 118.6256 0.0000 1 278 68 68 ARG C C 178.9784 0.0000 1 279 68 68 ARG CA C 59.1634 0.0000 1 280 68 68 ARG CB C 30.1629 0.0000 1 281 69 69 ARG H H 6.6100 0.0000 1 282 69 69 ARG C C 177.4054 0.0000 1 283 69 69 ARG CA C 59.5823 0.0000 1 284 69 69 ARG CB C 30.1566 0.0000 1 285 69 69 ARG N N 120.8453 0.0000 1 286 70 70 GLU H H 8.5715 0.0000 1 287 70 70 GLU C C 178.4061 0.0000 1 288 70 70 GLU CA C 60.3187 0.0000 1 289 70 70 GLU CB C 29.6335 0.0000 1 290 70 70 GLU N N 121.8525 0.0000 1 291 71 71 ASN H H 7.7323 0.0000 1 292 71 71 ASN C C 177.9587 0.0000 1 293 71 71 ASN CA C 55.9711 0.0000 1 294 71 71 ASN CB C 38.2971 0.0000 1 295 71 71 ASN N N 115.8174 0.0000 1 296 72 72 LYS H H 7.6843 0.0000 1 297 72 72 LYS C C 177.8465 0.0000 1 298 72 72 LYS CA C 58.3276 0.0000 1 299 72 72 LYS CB C 33.2318 0.0000 1 300 72 72 LYS N N 121.0221 0.0000 1 301 73 73 PHE H H 8.7678 0.0000 1 302 73 73 PHE C C 175.8469 0.0000 1 303 73 73 PHE CA C 61.5960 0.0000 1 304 73 73 PHE CB C 41.0208 0.0000 1 305 73 73 PHE N N 120.3106 0.0000 1 306 74 74 HIS C C 177.9747 0.0000 1 307 74 74 HIS CA C 58.0407 0.0000 1 308 74 74 HIS CB C 29.7644 0.0000 1 309 75 75 GLY H H 7.9990 0.0000 1 310 75 75 GLY C C 175.2170 0.0000 1 311 75 75 GLY CA C 48.0239 0.0000 1 312 75 75 GLY N N 111.3370 0.0000 1 313 76 76 ASP C C 174.8929 0.0000 1 314 76 76 ASP CA C 53.9914 0.0000 1 315 76 76 ASP CB C 41.2332 0.0000 1 316 77 77 ASP H H 8.2470 0.0000 1 317 77 77 ASP C C 175.0011 0.0000 1 318 77 77 ASP CA C 53.2155 0.0000 1 319 77 77 ASP CB C 41.3839 0.0000 1 320 77 77 ASP N N 122.2197 0.0000 1 321 78 78 ASP H H 8.4520 0.0000 1 322 78 78 ASP C C 175.3436 0.0000 1 323 78 78 ASP CA C 55.3891 0.0000 1 324 78 78 ASP CB C 42.1213 0.0000 1 325 78 78 ASP N N 125.1543 0.0000 1 326 79 79 ALA H H 8.6062 0.0000 1 327 79 79 ALA C C 175.6580 0.0000 1 328 79 79 ALA CA C 51.3721 0.0000 1 329 79 79 ALA N N 124.8505 0.0000 1 330 80 80 ILE H H 8.9692 0.0000 1 331 80 80 ILE CA C 58.7393 0.0000 1 332 80 80 ILE CB C 37.3981 0.0000 1 333 80 80 ILE N N 129.6740 0.0000 1 334 81 81 THR H H 9.7303 0.0000 1 335 81 81 THR C C 174.6790 0.0000 1 336 81 81 THR CA C 62.0412 0.0000 1 337 81 81 THR CB C 71.5589 0.0000 1 338 81 81 THR N N 127.9317 0.0000 1 339 82 82 VAL H H 8.5362 0.0000 1 340 82 82 VAL C C 177.1594 0.0000 1 341 82 82 VAL CA C 67.3375 0.0000 1 342 82 82 VAL CB C 31.1136 0.0000 1 343 82 82 VAL N N 122.0343 0.0000 1 344 83 83 ASP H H 7.8008 0.0000 1 345 83 83 ASP C C 178.6298 0.0000 1 346 83 83 ASP CA C 57.9605 0.0000 1 347 83 83 ASP CB C 40.3977 0.0000 1 348 83 83 ASP N N 119.3058 0.0000 1 349 84 84 ASP H H 7.8680 0.0000 1 350 84 84 ASP C C 179.1070 0.0000 1 351 84 84 ASP CA C 57.3253 0.0000 1 352 84 84 ASP CB C 41.1765 0.0000 1 353 84 84 ASP N N 121.6319 0.0000 1 354 85 85 LEU H H 7.9278 0.0000 1 355 85 85 LEU C C 177.8738 0.0000 1 356 85 85 LEU CA C 57.6153 0.0000 1 357 85 85 LEU CB C 42.6523 0.0000 1 358 85 85 LEU N N 123.6748 0.0000 1 359 86 86 TRP H H 9.1348 0.0000 1 360 86 86 TRP C C 176.5253 0.0000 1 361 86 86 TRP CA C 60.0321 0.0000 1 362 86 86 TRP CB C 29.8863 0.0000 1 363 86 86 TRP N N 119.4611 0.0000 1 364 87 87 GLU H H 8.5026 0.0000 1 365 87 87 GLU C C 178.0445 0.0000 1 366 87 87 GLU CA C 60.6378 0.0000 1 367 87 87 GLU CB C 29.3488 0.0000 1 368 87 87 GLU N N 117.9407 0.0000 1 369 88 88 ALA H H 7.5310 0.0000 1 370 88 88 ALA C C 180.4516 0.0000 1 371 88 88 ALA CA C 54.7326 0.0000 1 372 88 88 ALA CB C 17.7767 0.0000 1 373 88 88 ALA N N 120.6732 0.0000 1 374 89 89 TRP H H 8.2045 0.0000 1 375 89 89 TRP C C 178.5307 0.0000 1 376 89 89 TRP CA C 58.9273 0.0000 1 377 89 89 TRP CB C 29.8687 0.0000 1 378 89 89 TRP N N 121.0653 0.0000 1 379 90 90 PHE H H 8.9793 0.0000 1 380 90 90 PHE C C 176.6924 0.0000 1 381 90 90 PHE CA C 60.2698 0.0000 1 382 90 90 PHE CB C 38.8391 0.0000 1 383 90 90 PHE N N 120.6457 0.0000 1 384 91 91 GLU H H 7.2476 0.0000 1 385 91 91 GLU C C 176.1612 0.0000 1 386 91 91 GLU CA C 55.6190 0.0000 1 387 91 91 GLU CB C 29.7350 0.0000 1 388 91 91 GLU N N 115.7721 0.0000 1 389 92 92 SER H H 7.2373 0.0000 1 390 92 92 SER C C 175.3173 0.0000 1 391 92 92 SER CA C 59.5623 0.0000 1 392 92 92 SER CB C 64.3218 0.0000 1 393 92 92 SER N N 119.2459 0.0000 1 394 93 93 ILE H H 8.6690 0.0000 1 395 93 93 ILE C C 179.2205 0.0000 1 396 93 93 ILE CA C 62.3263 0.0000 1 397 93 93 ILE CB C 38.0153 0.0000 1 398 93 93 ILE N N 122.5386 0.0000 1 399 94 94 GLU H H 8.9588 0.0000 1 400 94 94 GLU C C 176.4494 0.0000 1 401 94 94 GLU CA C 60.3479 0.0000 1 402 94 94 GLU CB C 26.0273 0.0000 1 403 94 94 GLU N N 124.1600 0.0000 1 404 95 95 ARG H H 6.5609 0.0000 1 405 95 95 ARG C C 176.6148 0.0000 1 406 95 95 ARG CA C 58.0692 0.0000 1 407 95 95 ARG CB C 28.3451 0.0000 1 408 95 95 ARG N N 118.2443 0.0000 1 409 96 96 THR H H 7.0989 0.0000 1 410 96 96 THR C C 175.3125 0.0000 1 411 96 96 THR CA C 61.3093 0.0000 1 412 96 96 THR CB C 70.1128 0.0000 1 413 96 96 THR N N 104.6444 0.0000 1 414 97 97 TRP H H 7.6107 0.0000 1 415 97 97 TRP C C 177.4852 0.0000 1 416 97 97 TRP CA C 56.1022 0.0000 1 417 97 97 TRP CB C 29.8918 0.0000 1 418 97 97 TRP N N 124.6551 0.0000 1 419 98 98 THR H H 7.8662 0.0000 1 420 98 98 THR C C 175.2845 0.0000 1 421 98 98 THR CA C 60.5025 0.0000 1 422 98 98 THR CB C 72.1145 0.0000 1 423 98 98 THR N N 113.4950 0.0000 1 424 99 99 ASN H H 9.3622 0.0000 1 425 99 99 ASN C C 176.4654 0.0000 1 426 99 99 ASN CA C 58.6235 0.0000 1 427 99 99 ASN CB C 41.1859 0.0000 1 428 99 99 ASN N N 120.6005 0.0000 1 429 100 100 GLU H H 8.7581 0.0000 1 430 100 100 GLU C C 179.0773 0.0000 1 431 100 100 GLU CA C 60.5662 0.0000 1 432 100 100 GLU CB C 28.9907 0.0000 1 433 100 100 GLU N N 116.8886 0.0000 1 434 101 101 ARG H H 7.6271 0.0000 1 435 101 101 ARG C C 178.5246 0.0000 1 436 101 101 ARG CA C 57.0388 0.0000 1 437 101 101 ARG CB C 29.0386 0.0000 1 438 101 101 ARG N N 123.0086 0.0000 1 439 102 102 LEU H H 8.4607 0.0000 1 440 102 102 LEU C C 179.0104 0.0000 1 441 102 102 LEU CA C 58.4607 0.0000 1 442 102 102 LEU CB C 42.8888 0.0000 1 443 102 102 LEU N N 123.2469 0.0000 1 444 103 103 VAL H H 8.4498 0.0000 1 445 103 103 VAL C C 176.8686 0.0000 1 446 103 103 VAL CA C 68.0367 0.0000 1 447 103 103 VAL CB C 31.7101 0.0000 1 448 103 103 VAL N N 120.3850 0.0000 1 449 104 104 GLU H H 7.6398 0.0000 1 450 104 104 GLU C C 178.4054 0.0000 1 451 104 104 GLU CA C 59.9132 0.0000 1 452 104 104 GLU CB C 29.6562 0.0000 1 453 104 104 GLU N N 120.1512 0.0000 1 454 105 105 TRP H H 7.8572 0.0000 1 455 105 105 TRP C C 179.2902 0.0000 1 456 105 105 TRP CA C 60.2825 0.0000 1 457 105 105 TRP CB C 28.0593 0.0000 1 458 105 105 TRP N N 121.8052 0.0000 1 459 106 106 LEU H H 8.6238 0.0000 1 460 106 106 LEU C C 178.7585 0.0000 1 461 106 106 LEU CA C 57.8641 0.0000 1 462 106 106 LEU CB C 41.9122 0.0000 1 463 106 106 LEU N N 121.8581 0.0000 1 464 107 107 ILE H H 8.1482 0.0000 1 465 107 107 ILE C C 177.7573 0.0000 1 466 107 107 ILE CA C 65.3657 0.0000 1 467 107 107 ILE CB C 39.2835 0.0000 1 468 107 107 ILE N N 118.3108 0.0000 1 469 108 108 ASN H H 8.6030 0.0000 1 470 108 108 ASN C C 175.6846 0.0000 1 471 108 108 ASN CA C 55.9669 0.0000 1 472 108 108 ASN CB C 39.5648 0.0000 1 473 108 108 ASN N N 116.4037 0.0000 1 474 109 109 ASP H H 8.0290 0.0000 1 475 109 109 ASP C C 176.2930 0.0000 1 476 109 109 ASP CA C 56.0926 0.0000 1 477 109 109 ASP CB C 42.3740 0.0000 1 478 109 109 ASP N N 118.6852 0.0000 1 479 110 110 VAL H H 7.3265 0.0000 1 480 110 110 VAL C C 175.3624 0.0000 1 481 110 110 VAL CA C 63.4887 0.0000 1 482 110 110 VAL CB C 30.9443 0.0000 1 483 110 110 VAL N N 118.3007 0.0000 1 484 111 111 ASN H H 6.7843 0.0000 1 485 111 111 ASN C C 173.8709 0.0000 1 486 111 111 ASN CA C 53.2180 0.0000 1 487 111 111 ASN CB C 36.5734 0.0000 1 488 111 111 ASN N N 113.7336 0.0000 1 489 112 112 LEU H H 7.7445 0.0000 1 490 112 112 LEU C C 173.2468 0.0000 1 491 112 112 LEU CA C 51.7230 0.0000 1 492 112 112 LEU CB C 43.6763 0.0000 1 493 112 112 LEU N N 118.9955 0.0000 1 494 114 114 SER C C 176.0325 0.0000 1 495 114 114 SER CA C 61.1226 0.0000 1 496 114 114 SER CB C 62.6225 0.0000 1 497 115 115 ILE H H 6.8701 0.0000 1 498 115 115 ILE C C 175.7109 0.0000 1 499 115 115 ILE CA C 60.7331 0.0000 1 500 115 115 ILE CB C 38.4773 0.0000 1 501 115 115 ILE N N 114.7041 0.0000 1 502 116 116 VAL H H 7.2307 0.0000 1 503 116 116 VAL C C 177.0455 0.0000 1 504 116 116 VAL CA C 67.4772 0.0000 1 505 116 116 VAL CB C 31.7871 0.0000 1 506 116 116 VAL N N 121.0652 0.0000 1 507 117 117 GLU H H 8.6014 0.0000 1 508 117 117 GLU C C 179.3248 0.0000 1 509 117 117 GLU CA C 60.2571 0.0000 1 510 117 117 GLU CB C 28.5061 0.0000 1 511 117 117 GLU N N 120.1960 0.0000 1 512 118 118 ALA H H 8.0174 0.0000 1 513 118 118 ALA C C 179.8286 0.0000 1 514 118 118 ALA CA C 54.9384 0.0000 1 515 118 118 ALA CB C 18.3542 0.0000 1 516 118 118 ALA N N 123.5148 0.0000 1 517 119 119 VAL H H 7.7181 0.0000 1 518 119 119 VAL C C 179.0748 0.0000 1 519 119 119 VAL CA C 66.8658 0.0000 1 520 119 119 VAL CB C 31.7274 0.0000 1 521 119 119 VAL N N 118.5023 0.0000 1 522 120 120 LYS H H 8.7029 0.0000 1 523 120 120 LYS C C 180.1843 0.0000 1 524 120 120 LYS CA C 60.1958 0.0000 1 525 120 120 LYS CB C 32.9294 0.0000 1 526 120 120 LYS N N 121.1083 0.0000 1 527 121 121 ALA H H 8.1612 0.0000 1 528 121 121 ALA C C 180.0230 0.0000 1 529 121 121 ALA CA C 54.9629 0.0000 1 530 121 121 ALA CB C 18.3690 0.0000 1 531 121 121 ALA N N 122.6188 0.0000 1 532 122 122 LYS H H 7.6556 0.0000 1 533 122 122 LYS C C 176.1988 0.0000 1 534 122 122 LYS CA C 56.0559 0.0000 1 535 122 122 LYS CB C 33.7798 0.0000 1 536 122 122 LYS N N 114.7543 0.0000 1 537 123 123 LYS H H 7.7669 0.0000 1 538 123 123 LYS C C 175.8165 0.0000 1 539 123 123 LYS CA C 57.7214 0.0000 1 540 123 123 LYS CB C 29.0631 0.0000 1 541 123 123 LYS N N 114.7542 0.0000 1 542 124 124 ILE H H 6.8089 0.0000 1 543 124 124 ILE C C 174.0880 0.0000 1 544 124 124 ILE CA C 61.6825 0.0000 1 545 124 124 ILE CB C 38.5809 0.0000 1 546 124 124 ILE N N 112.9607 0.0000 1 547 125 125 ASP H H 7.9296 0.0000 1 548 125 125 ASP C C 176.5058 0.0000 1 549 125 125 ASP CA C 52.4589 0.0000 1 550 125 125 ASP CB C 42.5003 0.0000 1 551 125 125 ASP N N 123.6801 0.0000 1 552 126 126 GLY H H 8.9637 0.0000 1 553 126 126 GLY C C 175.2593 0.0000 1 554 126 126 GLY CA C 47.5856 0.0000 1 555 126 126 GLY N N 104.1866 0.0000 1 556 127 127 LYS H H 8.0363 0.0000 1 557 127 127 LYS C C 179.8712 0.0000 1 558 127 127 LYS CA C 59.6176 0.0000 1 559 127 127 LYS CB C 32.1430 0.0000 1 560 127 127 LYS N N 117.7057 0.0000 1 561 128 128 ILE H H 8.4518 0.0000 1 562 128 128 ILE C C 177.5433 0.0000 1 563 128 128 ILE CA C 58.2416 0.0000 1 564 128 128 ILE CB C 39.7001 0.0000 1 565 128 128 ILE N N 119.7918 0.0000 1 566 129 129 LEU H H 7.3466 0.0000 1 567 129 129 LEU C C 175.7480 0.0000 1 568 129 129 LEU CA C 59.9824 0.0000 1 569 129 129 LEU CB C 39.8806 0.0000 1 570 129 129 LEU N N 122.9955 0.0000 1 571 130 130 PRO C C 177.1839 0.0000 1 572 130 130 PRO CA C 66.4250 0.0000 1 573 130 130 PRO CB C 32.1194 0.0000 1 574 131 131 ARG H H 7.4449 0.0000 1 575 131 131 ARG C C 179.1652 0.0000 1 576 131 131 ARG CA C 58.7904 0.0000 1 577 131 131 ARG CB C 29.3487 0.0000 1 578 131 131 ARG N N 112.7342 0.0000 1 579 132 132 PHE H H 7.4347 0.0000 1 580 132 132 PHE C C 177.6615 0.0000 1 581 132 132 PHE CA C 57.4952 0.0000 1 582 132 132 PHE CB C 38.0625 0.0000 1 583 132 132 PHE N N 117.5735 0.0000 1 584 133 133 ALA H H 7.2682 0.0000 1 585 133 133 ALA C C 176.0717 0.0000 1 586 133 133 ALA CA C 53.1136 0.0000 1 587 133 133 ALA CB C 20.1779 0.0000 1 588 133 133 ALA N N 119.2109 0.0000 1 589 134 134 SER H H 7.1518 0.0000 1 590 134 134 SER C C 173.9724 0.0000 1 591 134 134 SER CA C 55.7384 0.0000 1 592 134 134 SER CB C 63.7387 0.0000 1 593 134 134 SER N N 113.8956 0.0000 1 594 135 135 PRO C C 176.9914 0.0000 1 595 135 135 PRO CA C 64.4186 0.0000 1 596 135 135 PRO CB C 31.5686 0.0000 1 597 136 136 ASN H H 8.1489 0.0000 1 598 136 136 ASN C C 175.0049 0.0000 1 599 136 136 ASN CA C 52.8616 0.0000 1 600 136 136 ASN N N 117.9835 0.0000 1 601 137 137 SER H H 7.5392 0.0000 1 602 137 137 SER CA C 57.8449 0.0000 1 603 137 137 SER N N 116.0706 0.0000 1 604 138 138 ASP C C 176.9646 0.0000 1 605 138 138 ASP CA C 54.9120 0.0000 1 606 138 138 ASP CB C 41.0749 0.0000 1 607 139 139 PHE H H 8.4445 0.0000 1 608 139 139 PHE C C 177.7573 0.0000 1 609 139 139 PHE CA C 62.8402 0.0000 1 610 139 139 PHE CB C 40.1959 0.0000 1 611 139 139 PHE N N 122.6946 0.0000 1 612 140 140 LEU H H 8.6442 0.0000 1 613 140 140 LEU C C 177.5461 0.0000 1 614 140 140 LEU CA C 58.2067 0.0000 1 615 140 140 LEU CB C 41.6643 0.0000 1 616 140 140 LEU N N 116.5848 0.0000 1 617 141 141 ASN H H 7.9461 0.0000 1 618 141 141 ASN C C 176.6001 0.0000 1 619 141 141 ASN CA C 55.4793 0.0000 1 620 141 141 ASN CB C 39.8558 0.0000 1 621 141 141 ASN N N 114.6352 0.0000 1 622 142 142 LYS H H 8.4796 0.0000 1 623 142 142 LYS C C 178.0345 0.0000 1 624 142 142 LYS CA C 58.7488 0.0000 1 625 142 142 LYS CB C 33.1965 0.0000 1 626 142 142 LYS N N 117.5633 0.0000 1 627 143 143 GLU H H 7.6774 0.0000 1 628 143 143 GLU C C 178.0668 0.0000 1 629 143 143 GLU CA C 58.0147 0.0000 1 630 143 143 GLU CB C 28.8629 0.0000 1 631 143 143 GLU N N 116.9084 0.0000 1 632 144 144 LEU H H 6.9402 0.0000 1 633 144 144 LEU C C 177.0913 0.0000 1 634 144 144 LEU CA C 54.2487 0.0000 1 635 144 144 LEU CB C 42.3414 0.0000 1 636 144 144 LEU N N 114.3147 0.0000 1 637 145 145 GLY H H 6.6207 0.0000 1 638 145 145 GLY C C 174.9230 0.0000 1 639 145 145 GLY CA C 46.9372 0.0000 1 640 145 145 GLY N N 106.8871 0.0000 1 641 146 146 ILE H H 8.0432 0.0000 1 642 146 146 ILE C C 175.5199 0.0000 1 643 146 146 ILE CA C 61.4058 0.0000 1 644 146 146 ILE CB C 36.8231 0.0000 1 645 146 146 ILE N N 120.3678 0.0000 1 646 150 150 VAL C C 179.0901 0.0000 1 647 150 150 VAL CA C 65.7692 0.0000 1 648 150 150 VAL CB C 31.9312 0.0000 1 649 151 151 TYR H H 7.5761 0.0000 1 650 151 151 TYR C C 178.1867 0.0000 1 651 151 151 TYR CA C 57.7602 0.0000 1 652 151 151 TYR CB C 36.9707 0.0000 1 653 151 151 TYR N N 120.8684 0.0000 1 654 152 152 ARG H H 8.0111 0.0000 1 655 152 152 ARG C C 177.8280 0.0000 1 656 152 152 ARG CA C 61.4229 0.0000 1 657 152 152 ARG CB C 30.4077 0.0000 1 658 152 152 ARG N N 118.1792 0.0000 1 659 153 153 GLN H H 7.9950 0.0000 1 660 153 153 GLN C C 177.7900 0.0000 1 661 153 153 GLN CA C 59.0621 0.0000 1 662 153 153 GLN CB C 28.0362 0.0000 1 663 153 153 GLN N N 118.8111 0.0000 1 664 154 154 LYS H H 7.8208 0.0000 1 665 154 154 LYS C C 179.8254 0.0000 1 666 154 154 LYS CA C 59.5853 0.0000 1 667 154 154 LYS CB C 33.0197 0.0000 1 668 154 154 LYS N N 119.9498 0.0000 1 669 155 155 LEU H H 8.2977 0.0000 1 670 155 155 LEU C C 179.6273 0.0000 1 671 155 155 LEU CA C 57.7474 0.0000 1 672 155 155 LEU CB C 41.5722 0.0000 1 673 155 155 LEU N N 120.8336 0.0000 1 674 156 156 ARG H H 8.9312 0.0000 1 675 156 156 ARG C C 178.3234 0.0000 1 676 156 156 ARG CA C 60.4495 0.0000 1 677 156 156 ARG CB C 30.4592 0.0000 1 678 156 156 ARG N N 125.3023 0.0000 1 679 157 157 LEU H H 8.4576 0.0000 1 680 157 157 LEU C C 180.1810 0.0000 1 681 157 157 LEU CA C 58.7625 0.0000 1 682 157 157 LEU CB C 41.5791 0.0000 1 683 157 157 LEU N N 119.0301 0.0000 1 684 158 158 ASN H H 8.0633 0.0000 1 685 158 158 ASN C C 177.8062 0.0000 1 686 158 158 ASN CA C 57.6394 0.0000 1 687 158 158 ASN CB C 40.2203 0.0000 1 688 158 158 ASN N N 117.1139 0.0000 1 689 159 159 SER H H 8.5602 0.0000 1 690 159 159 SER CA C 63.1871 0.0000 1 691 159 159 SER CB C 62.2127 0.0000 1 692 159 159 SER N N 117.3303 0.0000 1 693 160 160 LEU H H 8.7957 0.0000 1 694 160 160 LEU C C 177.3995 0.0000 1 695 160 160 LEU CA C 58.2975 0.0000 1 696 160 160 LEU CB C 43.1325 0.0000 1 697 160 160 LEU N N 124.7168 0.0000 1 698 161 161 ASP H H 7.4359 0.0000 1 699 161 161 ASP C C 177.3707 0.0000 1 700 161 161 ASP CA C 57.2925 0.0000 1 701 161 161 ASP CB C 41.9619 0.0000 1 702 161 161 ASP N N 117.1222 0.0000 1 703 162 162 VAL H H 7.2310 0.0000 1 704 162 162 VAL C C 178.1352 0.0000 1 705 162 162 VAL CA C 66.4481 0.0000 1 706 162 162 VAL CB C 32.0086 0.0000 1 707 162 162 VAL N N 115.0017 0.0000 1 708 163 163 VAL H H 8.1773 0.0000 1 709 163 163 VAL C C 175.5326 0.0000 1 710 163 163 VAL CA C 65.3347 0.0000 1 711 163 163 VAL CB C 31.6403 0.0000 1 712 163 163 VAL N N 119.9346 0.0000 1 713 164 164 LEU H H 7.9114 0.0000 1 714 164 164 LEU C C 179.2636 0.0000 1 715 164 164 LEU CA C 56.6702 0.0000 1 716 164 164 LEU CB C 40.1804 0.0000 1 717 164 164 LEU N N 113.3872 0.0000 1 718 165 165 PHE H H 7.6529 0.0000 1 719 165 165 PHE C C 176.5970 0.0000 1 720 165 165 PHE CA C 55.8374 0.0000 1 721 165 165 PHE CB C 40.4676 0.0000 1 722 165 165 PHE N N 113.9304 0.0000 1 723 166 166 GLY H H 7.5988 0.0000 1 724 166 166 GLY C C 172.1993 0.0000 1 725 166 166 GLY CA C 44.5662 0.0000 1 726 166 166 GLY N N 110.6709 0.0000 1 727 167 167 TYR H H 8.8965 0.0000 1 728 167 167 TYR C C 175.5609 0.0000 1 729 167 167 TYR CA C 58.3139 0.0000 1 730 167 167 TYR CB C 40.1293 0.0000 1 731 167 167 TYR N N 121.2838 0.0000 1 732 168 168 LYS H H 7.8688 0.0000 1 733 168 168 LYS C C 174.3777 0.0000 1 734 168 168 LYS CA C 55.9663 0.0000 1 735 168 168 LYS CB C 33.2775 0.0000 1 736 168 168 LYS N N 129.1935 0.0000 1 737 169 169 ASP H H 7.8109 0.0000 1 738 169 169 ASP C C 176.2085 0.0000 1 739 169 169 ASP CA C 54.3014 0.0000 1 740 169 169 ASP CB C 41.1552 0.0000 1 741 169 169 ASP N N 123.2047 0.0000 1 742 170 170 ASN H H 8.4331 0.0000 1 743 170 170 ASN C C 177.8153 0.0000 1 744 170 170 ASN CA C 53.4340 0.0000 1 745 170 170 ASN CB C 37.6332 0.0000 1 746 170 170 ASN N N 121.5072 0.0000 1 747 174 174 THR C C 174.3459 0.0000 1 748 174 174 THR CA C 62.0168 0.0000 1 749 174 174 THR CB C 69.8546 0.0000 1 750 175 175 LYS H H 8.2206 0.0000 1 751 175 175 LYS C C 175.2538 0.0000 1 752 175 175 LYS CA C 56.2398 0.0000 1 753 175 175 LYS CB C 33.2362 0.0000 1 754 175 175 LYS N N 124.4999 0.0000 1 755 176 176 ASP H H 7.8799 0.0000 1 756 176 176 ASP C C 180.8855 0.0000 1 757 176 176 ASP CA C 56.0304 0.0000 1 758 176 176 ASP CB C 42.2915 0.0000 1 759 176 176 ASP N N 127.9463 0.0000 1 stop_ save_