data_11252 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of HRDC domain from Bloom syndrome protein ; _BMRB_accession_number 11252 _BMRB_flat_file_name bmr11252.str _Entry_type original _Submission_date 2010-08-05 _Accession_date 2010-08-08 _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 Sato Akiko . . 2 Mishima Masaki . . 3 Nagai Aki . . 4 Kim Sun-Yong . . 5 Ito Yutaka . . 6 Hakoshima Toshio . . 7 Jee Jun-Goo . . 8 Kitano Ken . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 484 "13C chemical shifts" 295 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-28 original author . stop_ _Original_release_date 2010-09-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of HRDC domain from Bloom syndrome protein' _Citation_status submitted _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 Sato Akiko . . 2 Mishima Masaki . . 3 Nagai Aki . . 4 Kim Sun-Yong . . 5 Ito Yutaka . . 6 Hakoshima Toshio . . 7 Jee Jun-Goo . . 8 Kitano Ken . . stop_ _Journal_abbreviation 'J. Biochem.' _Journal_name_full 'The Journal of Biochemistry' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HRDC domain from Bloom syndrome protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BLM HRDC domain' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'BLM HRDC domain' _Molecular_mass 11282.033 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GIPEFKQKALVAKVSQREEM VKKCLGELTEVCKSLGKVFG VHYFNIFNTVTLKKLAESLS SDPEVLLQIDGVTEDKLEKY GAEVISVLQKYSEWTSPAED S ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 PRO 4 GLU 5 PHE 6 LYS 7 GLN 8 LYS 9 ALA 10 LEU 11 VAL 12 ALA 13 LYS 14 VAL 15 SER 16 GLN 17 ARG 18 GLU 19 GLU 20 MET 21 VAL 22 LYS 23 LYS 24 CYS 25 LEU 26 GLY 27 GLU 28 LEU 29 THR 30 GLU 31 VAL 32 CYS 33 LYS 34 SER 35 LEU 36 GLY 37 LYS 38 VAL 39 PHE 40 GLY 41 VAL 42 HIS 43 TYR 44 PHE 45 ASN 46 ILE 47 PHE 48 ASN 49 THR 50 VAL 51 THR 52 LEU 53 LYS 54 LYS 55 LEU 56 ALA 57 GLU 58 SER 59 LEU 60 SER 61 SER 62 ASP 63 PRO 64 GLU 65 VAL 66 LEU 67 LEU 68 GLN 69 ILE 70 ASP 71 GLY 72 VAL 73 THR 74 GLU 75 ASP 76 LYS 77 LEU 78 GLU 79 LYS 80 TYR 81 GLY 82 ALA 83 GLU 84 VAL 85 ILE 86 SER 87 VAL 88 LEU 89 GLN 90 LYS 91 TYR 92 SER 93 GLU 94 TRP 95 THR 96 SER 97 PRO 98 ALA 99 GLU 100 ASP 101 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 16766 "BLM HRDC domain" 84.16 85 100.00 100.00 1.82e-53 PDB 2KV2 "Solution Structure Of The Human Blm Hrdc Domain" 84.16 85 100.00 100.00 1.82e-53 PDB 2RRD "Structure Of Hrdc Domain From Human Bloom Syndrome Protein, Blm" 100.00 101 100.00 100.00 3.46e-65 PDB 4CDG "Crystal Structure Of The Bloom's Syndrome Helicase Blm In Complex With Nanobody" 95.05 673 100.00 100.00 1.44e-55 PDB 4CGZ "Crystal Structure Of The Bloom's Syndrome Helicase Blm In Complex With Dna" 95.05 665 100.00 100.00 1.32e-55 PDB 4O3M "Ternary Complex Of Bloom's Syndrome Helicase" 95.05 659 100.00 100.00 1.58e-55 DBJ BAG36927 "unnamed protein product [Homo sapiens]" 95.05 1417 100.00 100.00 9.24e-55 DBJ BAH12008 "unnamed protein product [Homo sapiens]" 95.05 1047 100.00 100.00 3.56e-54 DBJ BAH13907 "unnamed protein product [Homo sapiens]" 95.05 519 100.00 100.00 1.76e-56 GB AAA87850 "Bloom's syndrome protein [Homo sapiens]" 95.05 1417 100.00 100.00 9.06e-55 GB AAH93622 "Bloom syndrome [Homo sapiens]" 95.05 1417 100.00 100.00 9.06e-55 GB AAI01568 "Bloom syndrome [Homo sapiens]" 95.05 1417 100.00 100.00 9.06e-55 GB AAI15031 "Bloom syndrome [Homo sapiens]" 95.05 1417 100.00 100.00 9.06e-55 GB AAI15033 "Bloom syndrome [Homo sapiens]" 95.05 1417 100.00 100.00 9.06e-55 REF NP_000048 "Bloom syndrome protein isoform 1 [Homo sapiens]" 95.05 1417 100.00 100.00 9.06e-55 REF NP_001274175 "Bloom syndrome protein isoform 1 [Homo sapiens]" 95.05 1417 100.00 100.00 9.06e-55 REF NP_001274177 "Bloom syndrome protein isoform 3 [Homo sapiens]" 95.05 1042 100.00 100.00 2.12e-54 REF XP_001097543 "PREDICTED: Bloom syndrome protein [Macaca mulatta]" 95.05 1416 98.96 100.00 2.13e-54 REF XP_002749167 "PREDICTED: Bloom syndrome protein isoform X1 [Callithrix jacchus]" 95.05 1415 97.92 98.96 2.58e-53 SP P54132 "RecName: Full=Bloom syndrome protein; AltName: Full=DNA helicase, RecQ-like type 2; Short=RecQ2; AltName: Full=RecQ protein-lik" 95.05 1417 100.00 100.00 9.06e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' 'E. coli' Escherichia coli . pGEX-5X-1 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 $entity 0.5 mM '[U-98% 13C; U-98% 15N]' TRIS 50 mM 'natural abundance' 'sodium chloride' 100 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 $entity 1 mM '[U-100% 15N]' d11-TRIS 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-98% 13C; U-98% 15N]' d11-TRIS 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 5.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_4D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNHB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_2 save_ save_3D_HN(CO)HB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)HB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7.5 . pH pressure 1 . atm temperature 303 . 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 '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D C(CO)NH' '3D H(CCO)NH' '4D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'BLM HRDC 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 ALA H H 8.120 0.000 1 2 9 9 ALA CA C 52.713 0.000 1 3 9 9 ALA CB C 19.015 0.000 1 4 9 9 ALA N N 124.615 0.000 1 5 10 10 LEU H H 8.067 0.000 1 6 10 10 LEU CA C 55.636 0.000 1 7 10 10 LEU CB C 42.034 0.000 1 8 10 10 LEU N N 121.398 0.000 1 9 11 11 VAL H H 7.910 0.000 1 10 11 11 VAL CA C 62.538 0.000 1 11 11 11 VAL CB C 32.543 0.000 1 12 11 11 VAL N N 120.687 0.000 1 13 12 12 ALA H H 8.229 0.000 1 14 12 12 ALA CA C 52.943 0.000 1 15 12 12 ALA CB C 18.864 0.000 1 16 12 12 ALA N N 127.521 0.000 1 17 16 16 GLN H H 8.678 0.000 1 18 16 16 GLN HA H 4.167 0.000 1 19 16 16 GLN HB2 H 2.074 0.000 2 20 16 16 GLN HB3 H 2.074 0.000 2 21 16 16 GLN HG2 H 2.325 0.000 2 22 16 16 GLN HG3 H 2.325 0.000 2 23 16 16 GLN CA C 57.793 0.000 1 24 16 16 GLN CB C 28.650 0.000 1 25 16 16 GLN CG C 34.236 0.000 1 26 16 16 GLN N N 113.249 0.000 1 27 17 17 ARG H H 8.481 0.000 1 28 17 17 ARG CA C 60.692 0.000 1 29 17 17 ARG CB C 29.737 0.000 1 30 17 17 ARG N N 120.950 0.000 1 31 18 18 GLU H H 8.012 0.000 1 32 18 18 GLU HA H 3.833 0.000 1 33 18 18 GLU HB2 H 1.925 0.000 2 34 18 18 GLU HB3 H 2.164 0.000 2 35 18 18 GLU HG2 H 2.232 0.000 2 36 18 18 GLU HG3 H 2.302 0.000 2 37 18 18 GLU CA C 59.660 0.000 1 38 18 18 GLU CB C 29.274 0.000 1 39 18 18 GLU CG C 36.818 0.000 1 40 18 18 GLU N N 117.102 0.000 1 41 19 19 GLU H H 7.615 0.000 1 42 19 19 GLU HA H 3.964 0.000 1 43 19 19 GLU HB2 H 1.667 0.000 2 44 19 19 GLU HB3 H 1.950 0.000 2 45 19 19 GLU HG2 H 2.245 0.000 2 46 19 19 GLU HG3 H 2.168 0.000 2 47 19 19 GLU CA C 58.997 0.000 1 48 19 19 GLU CB C 29.162 0.000 1 49 19 19 GLU CG C 35.980 0.000 1 50 19 19 GLU N N 119.013 0.000 1 51 20 20 MET H H 7.641 0.000 1 52 20 20 MET HA H 4.209 0.000 1 53 20 20 MET HB2 H 2.037 0.000 2 54 20 20 MET HB3 H 1.330 0.000 2 55 20 20 MET HE H 1.761 0.000 1 56 20 20 MET HG2 H 2.223 0.000 2 57 20 20 MET HG3 H 2.228 0.000 2 58 20 20 MET CA C 57.154 0.000 1 59 20 20 MET CB C 31.747 0.000 1 60 20 20 MET CE C 18.122 0.000 1 61 20 20 MET N N 119.809 0.000 1 62 21 21 VAL H H 8.364 0.000 1 63 21 21 VAL HA H 3.212 0.000 1 64 21 21 VAL HB H 2.024 0.000 1 65 21 21 VAL HG1 H 0.666 0.000 2 66 21 21 VAL HG2 H 1.040 0.000 2 67 21 21 VAL CA C 66.946 0.000 1 68 21 21 VAL CB C 31.838 0.000 1 69 21 21 VAL CG1 C 20.609 0.000 2 70 21 21 VAL CG2 C 22.719 0.000 2 71 21 21 VAL N N 121.412 0.000 1 72 22 22 LYS H H 7.350 0.000 1 73 22 22 LYS HA H 3.775 0.000 1 74 22 22 LYS HB2 H 1.789 0.000 2 75 22 22 LYS HB3 H 1.790 0.000 2 76 22 22 LYS HD2 H 1.600 0.000 2 77 22 22 LYS HD3 H 1.601 0.000 2 78 22 22 LYS HE2 H 2.851 0.000 2 79 22 22 LYS HE3 H 2.850 0.000 2 80 22 22 LYS HG2 H 1.307 0.000 2 81 22 22 LYS HG3 H 1.500 0.000 2 82 22 22 LYS CA C 59.770 0.000 1 83 22 22 LYS CB C 32.244 0.000 1 84 22 22 LYS CD C 29.334 0.000 1 85 22 22 LYS CE C 41.900 0.000 1 86 22 22 LYS CG C 25.169 0.000 1 87 22 22 LYS N N 117.785 0.000 1 88 23 23 LYS H H 7.825 0.000 1 89 23 23 LYS HA H 3.919 0.000 1 90 23 23 LYS HB2 H 1.985 0.000 2 91 23 23 LYS HB3 H 1.842 0.000 2 92 23 23 LYS HD2 H 1.712 0.000 2 93 23 23 LYS HD3 H 1.705 0.000 2 94 23 23 LYS HE2 H 2.978 0.000 2 95 23 23 LYS HE3 H 2.982 0.000 2 96 23 23 LYS HG2 H 1.499 0.000 2 97 23 23 LYS HG3 H 1.499 0.000 2 98 23 23 LYS CA C 59.630 0.000 1 99 23 23 LYS CB C 32.777 0.000 1 100 23 23 LYS CD C 29.703 0.000 1 101 23 23 LYS CE C 42.187 0.000 1 102 23 23 LYS CG C 25.138 0.000 1 103 23 23 LYS N N 122.212 0.000 1 104 24 24 CYS H H 8.608 0.000 1 105 24 24 CYS HA H 3.548 0.000 1 106 24 24 CYS HB2 H 2.534 0.000 2 107 24 24 CYS HB3 H 1.516 0.000 2 108 24 24 CYS CA C 61.875 0.000 1 109 24 24 CYS CB C 26.032 0.000 1 110 24 24 CYS N N 121.893 0.000 1 111 25 25 LEU H H 8.725 0.000 1 112 25 25 LEU HA H 3.855 0.000 1 113 25 25 LEU HB2 H 1.929 0.000 2 114 25 25 LEU HB3 H 1.244 0.000 2 115 25 25 LEU HD1 H 0.803 0.000 2 116 25 25 LEU HD2 H 0.791 0.000 2 117 25 25 LEU HG H 1.440 0.000 1 118 25 25 LEU CA C 58.357 0.000 1 119 25 25 LEU CB C 41.230 0.000 1 120 25 25 LEU CD1 C 23.628 0.000 2 121 25 25 LEU CD2 C 22.702 0.000 2 122 25 25 LEU CG C 26.048 0.000 1 123 25 25 LEU N N 119.750 0.000 1 124 26 26 GLY H H 7.897 0.000 1 125 26 26 GLY HA2 H 3.966 0.000 2 126 26 26 GLY HA3 H 3.807 0.000 2 127 26 26 GLY CA C 47.499 0.000 1 128 26 26 GLY N N 108.420 0.000 1 129 27 27 GLU H H 7.816 0.000 1 130 27 27 GLU HA H 4.095 0.000 1 131 27 27 GLU HB2 H 2.311 0.000 2 132 27 27 GLU HB3 H 2.075 0.000 2 133 27 27 GLU HG2 H 2.486 0.000 2 134 27 27 GLU HG3 H 2.205 0.000 2 135 27 27 GLU CA C 59.953 0.000 1 136 27 27 GLU CB C 30.602 0.000 1 137 27 27 GLU CG C 37.355 0.000 1 138 27 27 GLU N N 122.680 0.000 1 139 28 28 LEU H H 9.404 0.000 1 140 28 28 LEU HA H 4.020 0.000 1 141 28 28 LEU HB2 H 2.003 0.000 2 142 28 28 LEU HB3 H 1.316 0.000 2 143 28 28 LEU HD1 H 0.686 0.000 2 144 28 28 LEU HD2 H 0.793 0.000 2 145 28 28 LEU HG H 1.593 0.000 1 146 28 28 LEU CA C 57.561 0.000 1 147 28 28 LEU CB C 40.088 0.000 1 148 28 28 LEU CD1 C 24.350 0.000 2 149 28 28 LEU CD2 C 24.240 0.000 2 150 28 28 LEU CG C 26.638 0.000 1 151 28 28 LEU N N 119.963 0.000 1 152 29 29 THR H H 8.352 0.000 1 153 29 29 THR HA H 4.128 0.000 1 154 29 29 THR HB H 4.008 0.000 1 155 29 29 THR HG2 H 1.027 0.000 1 156 29 29 THR CA C 68.181 0.000 1 157 29 29 THR CB C 71.564 0.000 1 158 29 29 THR CG2 C 20.475 0.000 1 159 29 29 THR N N 117.094 0.000 1 160 30 30 GLU H H 7.576 0.000 1 161 30 30 GLU HA H 3.890 0.000 1 162 30 30 GLU HB2 H 2.099 0.000 2 163 30 30 GLU HB3 H 2.099 0.000 2 164 30 30 GLU HG2 H 2.308 0.000 2 165 30 30 GLU HG3 H 2.308 0.000 2 166 30 30 GLU CA C 59.427 0.000 1 167 30 30 GLU CB C 29.021 0.000 1 168 30 30 GLU CG C 35.716 0.000 1 169 30 30 GLU N N 120.359 0.000 1 170 31 31 VAL H H 8.202 0.000 1 171 31 31 VAL HA H 3.871 0.000 1 172 31 31 VAL HB H 2.293 0.000 1 173 31 31 VAL HG1 H 1.130 0.000 2 174 31 31 VAL HG2 H 0.979 0.000 2 175 31 31 VAL CA C 66.389 0.000 1 176 31 31 VAL CB C 31.591 0.000 1 177 31 31 VAL CG1 C 23.920 0.000 2 178 31 31 VAL CG2 C 21.565 0.000 2 179 31 31 VAL N N 120.921 0.000 1 180 32 32 CYS H H 8.313 0.000 1 181 32 32 CYS HA H 4.124 0.000 1 182 32 32 CYS HB2 H 3.022 0.000 2 183 32 32 CYS HB3 H 3.196 0.000 2 184 32 32 CYS CA C 65.170 0.000 1 185 32 32 CYS CB C 26.405 0.000 1 186 32 32 CYS N N 118.981 0.000 1 187 33 33 LYS H H 8.140 0.000 1 188 33 33 LYS HA H 3.833 0.000 1 189 33 33 LYS HB2 H 1.718 0.000 2 190 33 33 LYS HB3 H 1.644 0.000 2 191 33 33 LYS HD2 H 1.308 0.000 2 192 33 33 LYS HD3 H 1.307 0.000 2 193 33 33 LYS HE2 H 2.458 0.000 2 194 33 33 LYS HE3 H 2.257 0.000 2 195 33 33 LYS HG2 H 0.964 0.000 2 196 33 33 LYS HG3 H 0.624 0.000 2 197 33 33 LYS CA C 60.434 0.000 1 198 33 33 LYS CB C 32.076 0.000 1 199 33 33 LYS CD C 29.660 0.000 1 200 33 33 LYS CE C 41.780 0.000 1 201 33 33 LYS CG C 26.065 0.000 1 202 33 33 LYS N N 120.384 0.000 1 203 34 34 SER H H 8.072 0.000 1 204 34 34 SER HA H 4.174 0.000 1 205 34 34 SER HB2 H 4.041 0.000 2 206 34 34 SER HB3 H 4.041 0.000 2 207 34 34 SER CA C 62.199 0.000 1 208 34 34 SER CB C 62.238 0.000 1 209 34 34 SER N N 117.628 0.000 1 210 35 35 LEU H H 8.588 0.000 1 211 35 35 LEU HA H 4.173 0.000 1 212 35 35 LEU HB2 H 1.981 0.000 2 213 35 35 LEU HB3 H 1.300 0.000 2 214 35 35 LEU HD1 H 1.179 0.000 2 215 35 35 LEU HD2 H 1.119 0.000 2 216 35 35 LEU HG H 1.951 0.000 1 217 35 35 LEU CA C 57.611 0.000 1 218 35 35 LEU CB C 42.367 0.000 1 219 35 35 LEU CD1 C 24.643 0.000 2 220 35 35 LEU CD2 C 23.119 0.000 2 221 35 35 LEU CG C 26.254 0.000 1 222 35 35 LEU N N 122.901 0.000 1 223 36 36 GLY H H 8.569 0.000 1 224 36 36 GLY HA2 H 3.816 0.000 2 225 36 36 GLY HA3 H 3.671 0.000 2 226 36 36 GLY CA C 47.778 0.000 1 227 36 36 GLY N N 107.855 0.000 1 228 37 37 LYS H H 7.418 0.000 1 229 37 37 LYS HA H 4.095 0.000 1 230 37 37 LYS HB2 H 1.945 0.000 2 231 37 37 LYS HB3 H 1.975 0.000 2 232 37 37 LYS HD2 H 1.658 0.000 2 233 37 37 LYS HD3 H 1.632 0.000 2 234 37 37 LYS HE2 H 2.912 0.000 2 235 37 37 LYS HE3 H 2.913 0.000 2 236 37 37 LYS HG2 H 1.410 0.000 2 237 37 37 LYS HG3 H 1.535 0.000 2 238 37 37 LYS CA C 59.084 0.000 1 239 37 37 LYS CB C 32.092 0.000 1 240 37 37 LYS CD C 29.117 0.000 1 241 37 37 LYS CE C 41.997 0.000 1 242 37 37 LYS CG C 25.037 0.000 1 243 37 37 LYS N N 120.436 0.000 1 244 38 38 VAL H H 7.656 0.000 1 245 38 38 VAL HA H 3.555 0.000 1 246 38 38 VAL HB H 2.016 0.000 1 247 38 38 VAL HG1 H 0.966 0.000 2 248 38 38 VAL HG2 H 0.356 0.000 2 249 38 38 VAL CA C 66.134 0.000 1 250 38 38 VAL CB C 31.879 0.000 1 251 38 38 VAL CG1 C 22.144 0.000 2 252 38 38 VAL CG2 C 20.487 0.000 2 253 38 38 VAL N N 119.915 0.000 1 254 39 39 PHE H H 8.257 0.000 1 255 39 39 PHE HA H 4.447 0.000 1 256 39 39 PHE HB2 H 2.746 0.000 2 257 39 39 PHE HB3 H 3.368 0.000 2 258 39 39 PHE HD1 H 7.497 0.000 3 259 39 39 PHE CA C 59.560 0.000 1 260 39 39 PHE CB C 39.375 0.000 1 261 39 39 PHE CD1 C 131.529 0.000 3 262 39 39 PHE N N 115.252 0.000 1 263 40 40 GLY H H 7.944 0.000 1 264 40 40 GLY HA2 H 3.902 0.000 2 265 40 40 GLY HA3 H 3.903 0.000 2 266 40 40 GLY CA C 47.062 0.000 1 267 40 40 GLY N N 111.494 0.000 1 268 41 41 VAL H H 8.277 0.000 1 269 41 41 VAL HA H 4.576 0.000 1 270 41 41 VAL HB H 2.043 0.000 1 271 41 41 VAL HG1 H 0.625 0.000 2 272 41 41 VAL HG2 H 0.807 0.000 2 273 41 41 VAL CA C 58.508 0.000 1 274 41 41 VAL CB C 36.048 0.000 1 275 41 41 VAL CG1 C 18.737 0.000 2 276 41 41 VAL CG2 C 21.303 0.000 2 277 41 41 VAL N N 112.405 0.000 1 278 42 42 HIS H H 8.368 0.000 1 279 42 42 HIS HA H 4.352 0.000 1 280 42 42 HIS HB2 H 2.569 0.000 2 281 42 42 HIS HB3 H 2.294 0.000 2 282 42 42 HIS CA C 57.675 0.000 1 283 42 42 HIS CB C 30.698 0.000 1 284 42 42 HIS N N 121.775 0.000 1 285 43 43 TYR H H 8.217 0.000 1 286 43 43 TYR HA H 3.941 0.000 1 287 43 43 TYR HB2 H 2.835 0.000 2 288 43 43 TYR HB3 H 2.836 0.000 2 289 43 43 TYR HD1 H 6.959 0.000 3 290 43 43 TYR HE1 H 6.704 0.000 3 291 43 43 TYR CA C 60.647 0.000 1 292 43 43 TYR CB C 37.265 0.000 1 293 43 43 TYR CD1 C 133.329 0.000 3 294 43 43 TYR CE1 C 118.000 0.000 3 295 43 43 TYR N N 124.256 0.000 1 296 44 44 PHE H H 7.744 0.000 1 297 44 44 PHE HA H 4.659 0.000 1 298 44 44 PHE HB2 H 3.064 0.000 2 299 44 44 PHE HB3 H 2.787 0.000 2 300 44 44 PHE HD1 H 6.767 0.000 3 301 44 44 PHE HE1 H 7.228 0.000 3 302 44 44 PHE CA C 56.152 0.000 1 303 44 44 PHE CB C 36.790 0.000 1 304 44 44 PHE CD1 C 130.207 0.000 3 305 44 44 PHE CE1 C 131.812 0.000 3 306 44 44 PHE N N 120.301 0.000 1 307 45 45 ASN H H 8.002 0.000 1 308 45 45 ASN HA H 4.498 0.000 1 309 45 45 ASN HB2 H 2.608 0.000 2 310 45 45 ASN HB3 H 2.798 0.000 2 311 45 45 ASN CA C 54.182 0.000 1 312 45 45 ASN CB C 38.465 0.000 1 313 45 45 ASN N N 116.334 0.000 1 314 46 46 ILE H H 7.410 0.000 1 315 46 46 ILE HA H 3.310 0.000 1 316 46 46 ILE HB H 1.960 0.000 1 317 46 46 ILE HD1 H 0.150 0.000 1 318 46 46 ILE HG12 H 1.119 0.000 2 319 46 46 ILE HG13 H 0.616 0.000 2 320 46 46 ILE HG2 H -0.097 0.000 1 321 46 46 ILE CA C 62.593 0.000 1 322 46 46 ILE CB C 34.843 0.000 1 323 46 46 ILE CD1 C 11.006 0.000 1 324 46 46 ILE CG1 C 25.990 0.000 1 325 46 46 ILE CG2 C 16.230 0.000 1 326 46 46 ILE N N 122.686 0.000 1 327 47 47 PHE H H 7.011 0.000 1 328 47 47 PHE HA H 4.911 0.000 1 329 47 47 PHE HB2 H 2.684 0.000 2 330 47 47 PHE HB3 H 2.850 0.000 2 331 47 47 PHE HD1 H 7.261 0.000 3 332 47 47 PHE HE1 H 7.066 0.000 3 333 47 47 PHE CA C 56.533 0.000 1 334 47 47 PHE CB C 43.597 0.000 1 335 47 47 PHE CD1 C 132.699 0.000 3 336 47 47 PHE CE1 C 130.103 0.000 3 337 47 47 PHE N N 111.735 0.000 1 338 48 48 ASN H H 8.554 0.000 1 339 48 48 ASN HA H 4.554 0.000 1 340 48 48 ASN HB2 H 2.830 0.000 2 341 48 48 ASN HB3 H 3.134 0.000 2 342 48 48 ASN CA C 51.635 0.000 1 343 48 48 ASN CB C 38.092 0.000 1 344 48 48 ASN N N 116.682 0.000 1 345 49 49 THR H H 7.795 0.000 1 346 49 49 THR HA H 3.793 0.000 1 347 49 49 THR HB H 3.786 0.000 1 348 49 49 THR HG2 H 1.226 0.000 1 349 49 49 THR CA C 66.744 0.000 1 350 49 49 THR CB C 68.622 0.000 1 351 49 49 THR CG2 C 22.253 0.000 1 352 49 49 THR N N 111.534 0.000 1 353 50 50 VAL H H 7.679 0.000 1 354 50 50 VAL HA H 3.604 0.000 1 355 50 50 VAL HB H 2.025 0.000 1 356 50 50 VAL HG1 H 0.889 0.000 2 357 50 50 VAL HG2 H 0.904 0.000 2 358 50 50 VAL CA C 66.258 0.000 1 359 50 50 VAL CB C 31.260 0.000 1 360 50 50 VAL CG1 C 20.874 0.000 2 361 50 50 VAL CG2 C 22.255 0.000 2 362 50 50 VAL N N 121.534 0.000 1 363 51 51 THR H H 8.089 0.000 1 364 51 51 THR HA H 3.706 0.000 1 365 51 51 THR HB H 4.125 0.000 1 366 51 51 THR HG2 H 1.041 0.000 1 367 51 51 THR CA C 67.564 0.000 1 368 51 51 THR CB C 68.863 0.000 1 369 51 51 THR CG2 C 20.830 0.000 1 370 51 51 THR N N 118.441 0.000 1 371 52 52 LEU H H 8.643 0.000 1 372 52 52 LEU HA H 3.684 0.000 1 373 52 52 LEU HB2 H 1.150 0.000 2 374 52 52 LEU HB3 H 1.863 0.000 2 375 52 52 LEU HD1 H 0.829 0.000 2 376 52 52 LEU HD2 H 0.934 0.000 2 377 52 52 LEU HG H 1.684 0.000 1 378 52 52 LEU CA C 58.665 0.000 1 379 52 52 LEU CB C 42.196 0.000 1 380 52 52 LEU CD1 C 25.666 0.000 2 381 52 52 LEU CD2 C 24.400 0.000 2 382 52 52 LEU CG C 26.664 0.000 1 383 52 52 LEU N N 120.674 0.000 1 384 53 53 LYS H H 7.710 0.000 1 385 53 53 LYS HA H 3.797 0.000 1 386 53 53 LYS HB2 H 1.842 0.000 2 387 53 53 LYS HB3 H 1.903 0.000 2 388 53 53 LYS HD2 H 1.587 0.000 2 389 53 53 LYS HD3 H 1.586 0.000 2 390 53 53 LYS HE2 H 2.851 0.000 2 391 53 53 LYS HE3 H 2.851 0.000 2 392 53 53 LYS HG2 H 1.386 0.000 2 393 53 53 LYS HG3 H 1.452 0.000 2 394 53 53 LYS CA C 60.262 0.000 1 395 53 53 LYS CB C 31.962 0.000 1 396 53 53 LYS CD C 29.343 0.000 1 397 53 53 LYS CE C 41.878 0.000 1 398 53 53 LYS CG C 25.478 0.000 1 399 53 53 LYS N N 117.525 0.000 1 400 54 54 LYS H H 7.588 0.000 1 401 54 54 LYS HA H 3.983 0.000 1 402 54 54 LYS HB2 H 1.915 0.000 2 403 54 54 LYS HB3 H 1.756 0.000 2 404 54 54 LYS HD2 H 1.639 0.000 2 405 54 54 LYS HD3 H 1.710 0.000 2 406 54 54 LYS HE2 H 2.881 0.000 2 407 54 54 LYS HE3 H 2.880 0.000 2 408 54 54 LYS HG2 H 1.447 0.000 2 409 54 54 LYS HG3 H 1.587 0.000 2 410 54 54 LYS CA C 59.187 0.000 1 411 54 54 LYS CB C 33.093 0.000 1 412 54 54 LYS CD C 29.121 0.000 1 413 54 54 LYS CE C 42.279 0.000 1 414 54 54 LYS CG C 25.702 0.000 1 415 54 54 LYS N N 118.116 0.000 1 416 55 55 LEU H H 8.652 0.000 1 417 55 55 LEU HA H 3.702 0.000 1 418 55 55 LEU HB2 H 1.942 0.000 2 419 55 55 LEU HB3 H 0.914 0.000 2 420 55 55 LEU HD1 H 0.515 0.000 2 421 55 55 LEU HD2 H 0.033 0.000 2 422 55 55 LEU HG H 1.410 0.000 1 423 55 55 LEU CA C 58.053 0.000 1 424 55 55 LEU CB C 42.832 0.000 1 425 55 55 LEU CD1 C 24.877 0.000 2 426 55 55 LEU CD2 C 25.042 0.000 2 427 55 55 LEU CG C 26.391 0.000 1 428 55 55 LEU N N 121.855 0.000 1 429 56 56 ALA H H 8.110 0.000 1 430 56 56 ALA HA H 3.893 0.000 1 431 56 56 ALA HB H 1.344 0.000 1 432 56 56 ALA CA C 54.928 0.000 1 433 56 56 ALA CB C 18.310 0.000 1 434 56 56 ALA N N 121.676 0.000 1 435 57 57 GLU H H 8.055 0.000 1 436 57 57 GLU HA H 3.869 0.000 1 437 57 57 GLU HB2 H 1.883 0.000 2 438 57 57 GLU HB3 H 1.989 0.000 2 439 57 57 GLU HG2 H 2.218 0.000 2 440 57 57 GLU HG3 H 2.353 0.000 2 441 57 57 GLU CA C 58.230 0.000 1 442 57 57 GLU CB C 29.718 0.000 1 443 57 57 GLU CG C 36.594 0.000 1 444 57 57 GLU N N 112.666 0.000 1 445 58 58 SER H H 7.496 0.000 1 446 58 58 SER HA H 3.997 0.000 1 447 58 58 SER HB2 H 3.830 0.000 2 448 58 58 SER HB3 H 3.833 0.000 2 449 58 58 SER CA C 61.144 0.000 1 450 58 58 SER CB C 63.220 0.000 1 451 58 58 SER N N 113.742 0.000 1 452 59 59 LEU H H 7.294 0.000 1 453 59 59 LEU HA H 3.568 0.000 1 454 59 59 LEU HB2 H 1.648 0.000 2 455 59 59 LEU HB3 H 1.820 0.000 2 456 59 59 LEU HD1 H 0.763 0.000 2 457 59 59 LEU HD2 H 0.638 0.000 2 458 59 59 LEU HG H 1.773 0.000 1 459 59 59 LEU CA C 56.128 0.000 1 460 59 59 LEU CB C 39.925 0.000 1 461 59 59 LEU CD1 C 26.786 0.000 2 462 59 59 LEU CD2 C 23.369 0.000 2 463 59 59 LEU CG C 25.463 0.000 1 464 59 59 LEU N N 114.801 0.000 1 465 60 60 SER H H 7.984 0.000 1 466 60 60 SER HA H 4.525 0.000 1 467 60 60 SER HB2 H 3.395 0.000 2 468 60 60 SER HB3 H 3.547 0.000 2 469 60 60 SER CA C 57.088 0.000 1 470 60 60 SER CB C 58.611 0.000 1 471 60 60 SER N N 113.747 0.000 1 472 61 61 SER H H 8.238 0.000 1 473 61 61 SER HA H 4.446 0.000 1 474 61 61 SER HB2 H 3.258 0.000 2 475 61 61 SER HB3 H 4.172 0.000 2 476 61 61 SER CA C 56.012 0.000 1 477 61 61 SER CB C 64.157 0.000 1 478 61 61 SER N N 115.515 0.000 1 479 62 62 ASP H H 8.098 0.000 1 480 62 62 ASP HA H 4.846 0.000 1 481 62 62 ASP HB2 H 2.500 0.000 2 482 62 62 ASP HB3 H 2.808 0.000 2 483 62 62 ASP CA C 50.687 0.000 1 484 62 62 ASP CB C 41.956 0.000 1 485 62 62 ASP N N 123.524 0.000 1 486 63 63 PRO HA H 3.861 0.000 1 487 63 63 PRO HB2 H 1.958 0.000 2 488 63 63 PRO HB3 H 2.185 0.000 2 489 63 63 PRO HD2 H 3.935 0.000 2 490 63 63 PRO HD3 H 4.243 0.000 2 491 63 63 PRO HG2 H 1.840 0.000 2 492 63 63 PRO HG3 H 2.108 0.000 2 493 63 63 PRO CA C 65.631 0.000 1 494 63 63 PRO CB C 32.234 0.000 1 495 63 63 PRO CD C 51.090 0.000 1 496 63 63 PRO CG C 27.686 0.000 1 497 64 64 GLU H H 8.092 0.000 1 498 64 64 GLU HA H 3.857 0.000 1 499 64 64 GLU HB2 H 1.899 0.000 2 500 64 64 GLU HB3 H 1.900 0.000 2 501 64 64 GLU HG2 H 2.269 0.000 2 502 64 64 GLU HG3 H 2.116 0.000 2 503 64 64 GLU CA C 59.175 0.000 1 504 64 64 GLU CB C 29.383 0.000 1 505 64 64 GLU CG C 36.716 0.000 1 506 64 64 GLU N N 113.645 0.000 1 507 65 65 VAL H H 7.176 0.000 1 508 65 65 VAL HA H 3.578 0.000 1 509 65 65 VAL HB H 2.329 0.000 1 510 65 65 VAL HG1 H 0.823 0.000 2 511 65 65 VAL HG2 H 0.894 0.000 2 512 65 65 VAL CA C 65.236 0.000 1 513 65 65 VAL CB C 32.180 0.000 1 514 65 65 VAL CG1 C 20.842 0.000 2 515 65 65 VAL CG2 C 22.260 0.000 2 516 65 65 VAL N N 119.784 0.000 1 517 66 66 LEU H H 7.906 0.000 1 518 66 66 LEU HA H 3.798 0.000 1 519 66 66 LEU HB2 H 1.625 0.000 2 520 66 66 LEU HB3 H 1.078 0.000 2 521 66 66 LEU HD1 H 0.491 0.000 2 522 66 66 LEU HD2 H 0.667 0.000 2 523 66 66 LEU HG H 1.602 0.000 1 524 66 66 LEU CA C 57.821 0.000 1 525 66 66 LEU CB C 41.255 0.000 1 526 66 66 LEU CD1 C 24.681 0.000 2 527 66 66 LEU CD2 C 21.706 0.000 2 528 66 66 LEU CG C 26.221 0.000 1 529 66 66 LEU N N 119.583 0.000 1 530 67 67 LEU H H 7.973 0.000 1 531 67 67 LEU HA H 3.901 0.000 1 532 67 67 LEU HB2 H 1.486 0.000 2 533 67 67 LEU HB3 H 1.578 0.000 2 534 67 67 LEU HD1 H 0.761 0.000 2 535 67 67 LEU HD2 H 0.694 0.000 2 536 67 67 LEU HG H 1.625 0.000 1 537 67 67 LEU CA C 56.285 0.000 1 538 67 67 LEU CB C 41.721 0.000 1 539 67 67 LEU CD1 C 25.071 0.000 2 540 67 67 LEU CD2 C 23.501 0.000 2 541 67 67 LEU CG C 27.396 0.000 1 542 67 67 LEU N N 113.505 0.000 1 543 68 68 GLN H H 7.189 0.000 1 544 68 68 GLN HA H 4.255 0.000 1 545 68 68 GLN HB2 H 1.951 0.000 2 546 68 68 GLN HB3 H 2.285 0.000 2 547 68 68 GLN HG2 H 2.291 0.000 2 548 68 68 GLN HG3 H 2.470 0.000 2 549 68 68 GLN CA C 55.314 0.000 1 550 68 68 GLN CB C 28.710 0.000 1 551 68 68 GLN CG C 33.821 0.000 1 552 68 68 GLN N N 114.976 0.000 1 553 69 69 ILE H H 7.718 0.000 1 554 69 69 ILE HA H 3.788 0.000 1 555 69 69 ILE HB H 2.063 0.000 1 556 69 69 ILE HD1 H 0.735 0.000 1 557 69 69 ILE HG12 H 1.722 0.000 2 558 69 69 ILE HG13 H 0.855 0.000 2 559 69 69 ILE HG2 H 0.834 0.000 1 560 69 69 ILE CA C 61.596 0.000 1 561 69 69 ILE CB C 37.510 0.000 1 562 69 69 ILE CD1 C 13.920 0.000 1 563 69 69 ILE CG1 C 30.325 0.000 1 564 69 69 ILE CG2 C 17.870 0.000 1 565 69 69 ILE N N 123.498 0.000 1 566 70 70 ASP H H 8.425 0.000 1 567 70 70 ASP HA H 4.246 0.000 1 568 70 70 ASP HB2 H 2.511 0.000 2 569 70 70 ASP HB3 H 2.512 0.000 2 570 70 70 ASP CA C 56.281 0.000 1 571 70 70 ASP CB C 41.045 0.000 1 572 70 70 ASP N N 128.612 0.000 1 573 71 71 GLY H H 8.656 0.000 1 574 71 71 GLY HA2 H 3.649 0.000 2 575 71 71 GLY HA3 H 4.444 0.000 2 576 71 71 GLY CA C 45.053 0.000 1 577 71 71 GLY N N 113.661 0.000 1 578 72 72 VAL H H 8.259 0.000 1 579 72 72 VAL HA H 4.054 0.000 1 580 72 72 VAL HB H 2.631 0.000 1 581 72 72 VAL HG1 H 0.677 0.000 2 582 72 72 VAL HG2 H 0.554 0.000 2 583 72 72 VAL CA C 63.636 0.000 1 584 72 72 VAL CB C 30.136 0.000 1 585 72 72 VAL CG1 C 22.161 0.000 2 586 72 72 VAL CG2 C 22.161 0.000 2 587 72 72 VAL N N 122.528 0.000 1 588 73 73 THR H H 6.398 0.000 1 589 73 73 THR HA H 4.729 0.000 1 590 73 73 THR HB H 4.612 0.000 1 591 73 73 THR HG2 H 1.162 0.000 1 592 73 73 THR CA C 58.456 0.000 1 593 73 73 THR CB C 72.047 0.000 1 594 73 73 THR CG2 C 21.925 0.000 1 595 73 73 THR N N 112.577 0.000 1 596 74 74 GLU H H 9.446 0.000 1 597 74 74 GLU HA H 3.830 0.000 1 598 74 74 GLU HB2 H 2.012 0.000 2 599 74 74 GLU HB3 H 2.337 0.000 2 600 74 74 GLU HG2 H 2.344 0.000 2 601 74 74 GLU HG3 H 2.295 0.000 2 602 74 74 GLU CA C 60.654 0.000 1 603 74 74 GLU CB C 29.178 0.000 1 604 74 74 GLU CG C 37.238 0.000 1 605 74 74 GLU N N 122.358 0.000 1 606 75 75 ASP H H 8.477 0.000 1 607 75 75 ASP HA H 4.308 0.000 1 608 75 75 ASP HB2 H 2.534 0.000 2 609 75 75 ASP HB3 H 2.468 0.000 2 610 75 75 ASP CA C 57.090 0.000 1 611 75 75 ASP CB C 40.961 0.000 1 612 75 75 ASP N N 117.828 0.000 1 613 76 76 LYS H H 7.513 0.000 1 614 76 76 LYS HA H 3.820 0.000 1 615 76 76 LYS HB2 H 1.803 0.000 2 616 76 76 LYS HB3 H 1.954 0.000 2 617 76 76 LYS HD2 H 1.717 0.000 2 618 76 76 LYS HD3 H 1.689 0.000 2 619 76 76 LYS HE2 H 2.974 0.000 2 620 76 76 LYS HE3 H 2.974 0.000 2 621 76 76 LYS HG2 H 1.310 0.000 2 622 76 76 LYS HG3 H 1.669 0.000 2 623 76 76 LYS CA C 59.624 0.000 1 624 76 76 LYS CB C 33.991 0.000 1 625 76 76 LYS CD C 29.813 0.000 1 626 76 76 LYS CE C 42.535 0.000 1 627 76 76 LYS CG C 26.918 0.000 1 628 76 76 LYS N N 117.743 0.000 1 629 77 77 LEU H H 8.212 0.000 1 630 77 77 LEU HA H 3.988 0.000 1 631 77 77 LEU HB2 H 1.776 0.000 2 632 77 77 LEU HB3 H 1.535 0.000 2 633 77 77 LEU HD1 H 0.751 0.000 2 634 77 77 LEU HD2 H 0.730 0.000 2 635 77 77 LEU HG H 1.687 0.000 1 636 77 77 LEU CA C 57.349 0.000 1 637 77 77 LEU CB C 40.506 0.000 1 638 77 77 LEU CD1 C 24.908 0.000 2 639 77 77 LEU CD2 C 22.304 0.000 2 640 77 77 LEU CG C 26.644 0.000 1 641 77 77 LEU N N 118.197 0.000 1 642 78 78 GLU H H 8.172 0.000 1 643 78 78 GLU HA H 4.129 0.000 1 644 78 78 GLU HB2 H 2.114 0.000 2 645 78 78 GLU HB3 H 2.123 0.000 2 646 78 78 GLU HG2 H 2.482 0.000 2 647 78 78 GLU HG3 H 2.320 0.000 2 648 78 78 GLU CA C 59.651 0.000 1 649 78 78 GLU CB C 30.203 0.000 1 650 78 78 GLU CG C 37.203 0.000 1 651 78 78 GLU N N 121.206 0.000 1 652 79 79 LYS H H 7.580 0.000 1 653 79 79 LYS HA H 3.842 0.000 1 654 79 79 LYS HB2 H 0.581 0.000 2 655 79 79 LYS HB3 H 0.751 0.000 2 656 79 79 LYS HD2 H 1.097 0.000 2 657 79 79 LYS HD3 H 1.099 0.000 2 658 79 79 LYS HE2 H 2.591 0.000 2 659 79 79 LYS HE3 H 2.591 0.000 2 660 79 79 LYS HG2 H 1.097 0.000 2 661 79 79 LYS HG3 H 0.751 0.000 2 662 79 79 LYS CA C 58.937 0.000 1 663 79 79 LYS CB C 32.936 0.000 1 664 79 79 LYS CD C 28.989 0.000 1 665 79 79 LYS CE C 41.834 0.000 1 666 79 79 LYS CG C 25.265 0.000 1 667 79 79 LYS N N 117.792 0.000 1 668 80 80 TYR H H 8.059 0.000 1 669 80 80 TYR HA H 5.035 0.000 1 670 80 80 TYR HB2 H 2.580 0.000 2 671 80 80 TYR HB3 H 3.328 0.000 2 672 80 80 TYR HD1 H 6.660 0.000 3 673 80 80 TYR HE1 H 6.019 0.000 3 674 80 80 TYR CA C 55.217 0.000 1 675 80 80 TYR CB C 39.953 0.000 1 676 80 80 TYR CD1 C 132.787 0.000 3 677 80 80 TYR CE1 C 117.613 0.000 3 678 80 80 TYR N N 114.541 0.000 1 679 81 81 GLY H H 7.824 0.000 1 680 81 81 GLY HA2 H 3.615 0.000 2 681 81 81 GLY HA3 H 4.339 0.000 2 682 81 81 GLY CA C 48.111 0.000 1 683 81 81 GLY N N 111.405 0.000 1 684 82 82 ALA H H 8.633 0.000 1 685 82 82 ALA HA H 4.000 0.000 1 686 82 82 ALA HB H 1.408 0.000 1 687 82 82 ALA CA C 56.110 0.000 1 688 82 82 ALA CB C 17.581 0.000 1 689 82 82 ALA N N 123.153 0.000 1 690 83 83 GLU H H 8.794 0.000 1 691 83 83 GLU HA H 3.970 0.000 1 692 83 83 GLU HB2 H 2.073 0.000 2 693 83 83 GLU HB3 H 2.090 0.000 2 694 83 83 GLU HG2 H 2.266 0.000 2 695 83 83 GLU HG3 H 2.107 0.000 2 696 83 83 GLU CA C 59.707 0.000 1 697 83 83 GLU CB C 29.321 0.000 1 698 83 83 GLU CG C 36.060 0.000 1 699 83 83 GLU N N 116.984 0.000 1 700 84 84 VAL H H 7.401 0.000 1 701 84 84 VAL HA H 3.681 0.000 1 702 84 84 VAL HB H 2.078 0.000 1 703 84 84 VAL HG1 H 1.027 0.000 2 704 84 84 VAL HG2 H 0.774 0.000 2 705 84 84 VAL CA C 66.156 0.000 1 706 84 84 VAL CB C 32.508 0.000 1 707 84 84 VAL CG1 C 21.782 0.000 2 708 84 84 VAL CG2 C 20.804 0.000 2 709 84 84 VAL N N 117.031 0.000 1 710 85 85 ILE H H 9.223 0.000 1 711 85 85 ILE HA H 3.556 0.000 1 712 85 85 ILE HB H 1.960 0.000 1 713 85 85 ILE HD1 H 0.708 0.000 1 714 85 85 ILE HG12 H 0.914 0.000 2 715 85 85 ILE HG13 H 1.570 0.000 2 716 85 85 ILE HG2 H 0.896 0.000 1 717 85 85 ILE CA C 65.588 0.000 1 718 85 85 ILE CB C 36.752 0.000 1 719 85 85 ILE CD1 C 12.488 0.000 1 720 85 85 ILE CG1 C 30.746 0.000 1 721 85 85 ILE CG2 C 17.595 0.000 1 722 85 85 ILE N N 121.355 0.000 1 723 86 86 SER H H 7.563 0.000 1 724 86 86 SER HA H 4.187 0.000 1 725 86 86 SER HB2 H 4.183 0.000 2 726 86 86 SER HB3 H 4.180 0.000 2 727 86 86 SER CA C 61.847 0.000 1 728 86 86 SER CB C 62.784 0.000 1 729 86 86 SER N N 113.678 0.000 1 730 87 87 VAL H H 6.994 0.000 1 731 87 87 VAL HA H 3.740 0.000 1 732 87 87 VAL HB H 2.295 0.000 1 733 87 87 VAL HG1 H 1.082 0.000 2 734 87 87 VAL HG2 H 1.087 0.000 2 735 87 87 VAL CA C 66.221 0.000 1 736 87 87 VAL CB C 32.039 0.000 1 737 87 87 VAL CG1 C 23.163 0.000 2 738 87 87 VAL CG2 C 23.596 0.000 2 739 87 87 VAL N N 119.715 0.000 1 740 88 88 LEU H H 7.710 0.000 1 741 88 88 LEU HA H 3.825 0.000 1 742 88 88 LEU HB2 H 1.229 0.000 2 743 88 88 LEU HB3 H 1.605 0.000 2 744 88 88 LEU HD1 H 0.663 0.000 2 745 88 88 LEU HD2 H 0.828 0.000 2 746 88 88 LEU HG H 1.443 0.000 1 747 88 88 LEU CA C 58.998 0.000 1 748 88 88 LEU CB C 41.821 0.000 1 749 88 88 LEU CD1 C 23.825 0.000 2 750 88 88 LEU CD2 C 25.451 0.000 2 751 88 88 LEU CG C 28.311 0.000 1 752 88 88 LEU N N 119.003 0.000 1 753 89 89 GLN H H 8.964 0.000 1 754 89 89 GLN HA H 3.963 0.000 1 755 89 89 GLN HB2 H 2.232 0.000 2 756 89 89 GLN HB3 H 2.013 0.000 2 757 89 89 GLN HG2 H 2.460 0.000 2 758 89 89 GLN HG3 H 2.460 0.000 2 759 89 89 GLN CA C 58.546 0.000 1 760 89 89 GLN CB C 28.223 0.000 1 761 89 89 GLN CG C 33.759 0.000 1 762 89 89 GLN N N 118.818 0.000 1 763 90 90 LYS H H 7.434 0.000 1 764 90 90 LYS HA H 4.008 0.000 1 765 90 90 LYS HB2 H 1.534 0.000 2 766 90 90 LYS HB3 H 1.668 0.000 2 767 90 90 LYS HD2 H 1.657 0.000 2 768 90 90 LYS HD3 H 1.683 0.000 2 769 90 90 LYS HE2 H 2.892 0.000 2 770 90 90 LYS HE3 H 2.892 0.000 2 771 90 90 LYS HG2 H 1.535 0.000 2 772 90 90 LYS HG3 H 1.183 0.000 2 773 90 90 LYS CA C 58.263 0.000 1 774 90 90 LYS CB C 31.408 0.000 1 775 90 90 LYS CD C 29.480 0.000 1 776 90 90 LYS CE C 41.810 0.000 1 777 90 90 LYS CG C 24.648 0.000 1 778 90 90 LYS N N 116.966 0.000 1 779 91 91 TYR H H 7.651 0.000 1 780 91 91 TYR HA H 4.647 0.000 1 781 91 91 TYR HB2 H 3.546 0.000 2 782 91 91 TYR HB3 H 2.691 0.000 2 783 91 91 TYR HD1 H 7.205 0.000 3 784 91 91 TYR HE1 H 6.751 0.000 3 785 91 91 TYR CA C 58.879 0.000 1 786 91 91 TYR CB C 39.821 0.000 1 787 91 91 TYR CD1 C 133.727 0.000 3 788 91 91 TYR CE1 C 117.697 0.000 3 789 91 91 TYR N N 116.666 0.000 1 790 92 92 SER H H 7.361 0.000 1 791 92 92 SER HA H 4.486 0.000 1 792 92 92 SER HB2 H 3.953 0.000 2 793 92 92 SER HB3 H 3.953 0.000 2 794 92 92 SER CA C 61.005 0.000 1 795 92 92 SER CB C 63.458 0.000 1 796 92 92 SER N N 115.255 0.000 1 797 93 93 GLU H H 8.454 0.000 1 798 93 93 GLU HA H 4.028 0.000 1 799 93 93 GLU HB2 H 1.314 0.000 2 800 93 93 GLU HB3 H 1.438 0.000 2 801 93 93 GLU HG2 H 1.696 0.000 2 802 93 93 GLU HG3 H 1.836 0.000 2 803 93 93 GLU CA C 57.633 0.000 1 804 93 93 GLU CB C 28.794 0.000 1 805 93 93 GLU CG C 36.097 0.000 1 806 93 93 GLU N N 121.025 0.000 1 807 94 94 TRP H H 8.062 0.000 1 808 94 94 TRP HA H 4.623 0.000 1 809 94 94 TRP HB2 H 3.463 0.000 2 810 94 94 TRP HB3 H 3.208 0.000 2 811 94 94 TRP HD1 H 7.252 0.000 1 812 94 94 TRP CA C 57.711 0.000 1 813 94 94 TRP CB C 29.925 0.000 1 814 94 94 TRP CD1 C 125.880 0.000 1 815 94 94 TRP N N 118.136 0.000 1 816 95 95 THR H H 7.549 0.000 1 817 95 95 THR HA H 3.942 0.000 1 818 95 95 THR HG2 H 1.219 0.000 1 819 95 95 THR CA C 65.434 0.000 1 820 95 95 THR CB C 69.914 0.000 1 821 95 95 THR CG2 C 21.406 0.000 1 822 95 95 THR N N 116.256 0.000 1 823 96 96 SER H H 8.333 0.000 1 824 96 96 SER HA H 4.644 0.000 1 825 96 96 SER HB2 H 3.810 0.000 2 826 96 96 SER HB3 H 3.688 0.000 2 827 96 96 SER CA C 56.045 0.000 1 828 96 96 SER CB C 63.182 0.000 1 829 96 96 SER N N 116.875 0.000 1 830 97 97 PRO HA H 4.354 0.000 1 831 97 97 PRO HB2 H 1.930 0.000 2 832 97 97 PRO HB3 H 2.232 0.000 2 833 97 97 PRO HD2 H 3.669 0.000 2 834 97 97 PRO HD3 H 3.785 0.000 2 835 97 97 PRO HG2 H 1.990 0.000 2 836 97 97 PRO HG3 H 2.031 0.000 2 837 97 97 PRO CA C 62.971 0.000 1 838 97 97 PRO CB C 32.077 0.000 1 839 97 97 PRO CD C 50.425 0.000 1 840 97 97 PRO CG C 27.304 0.000 1 841 98 98 ALA H H 8.367 0.000 1 842 98 98 ALA HA H 4.255 0.000 1 843 98 98 ALA HB H 1.348 0.000 1 844 98 98 ALA CA C 52.305 0.000 1 845 98 98 ALA CB C 19.331 0.000 1 846 98 98 ALA N N 124.722 0.000 1 847 99 99 GLU H H 8.395 0.000 1 848 99 99 GLU HA H 4.245 0.000 1 849 99 99 GLU HB2 H 2.040 0.000 2 850 99 99 GLU HB3 H 1.953 0.000 2 851 99 99 GLU HG2 H 2.220 0.000 2 852 99 99 GLU HG3 H 2.220 0.000 2 853 99 99 GLU CA C 56.423 0.000 1 854 99 99 GLU CB C 30.475 0.000 1 855 99 99 GLU CG C 36.232 0.000 1 856 99 99 GLU N N 120.200 0.000 1 857 100 100 ASP H H 8.330 0.000 1 858 100 100 ASP HA H 4.593 0.000 1 859 100 100 ASP HB2 H 2.570 0.000 2 860 100 100 ASP HB3 H 2.679 0.000 2 861 100 100 ASP CA C 54.224 0.000 1 862 100 100 ASP CB C 41.182 0.000 1 863 100 100 ASP N N 121.616 0.000 1 864 101 101 SER H H 7.789 0.000 1 865 101 101 SER CA C 59.950 0.000 1 866 101 101 SER CB C 64.854 0.000 1 867 101 101 SER N N 121.085 0.000 1 stop_ save_