data_34007 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the complex between human ZNHIT3 and NUFIP1 proteins ; _BMRB_accession_number 34007 _BMRB_flat_file_name bmr34007.str _Entry_type original _Submission_date 2016-06-07 _Accession_date 2016-06-07 _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 Quinternet M. . . 2 Chagot M. . . 3 Manival X. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 675 "13C chemical shifts" 488 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-26 original BMRB . stop_ _Original_release_date 2016-08-26 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural features of the box C/D snoRNP pre-assembly process are conserved through species ; _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Quinternet M. . . 2 Chagot M. . . 3 Rothe B. . . 4 Tiotu D. . . 5 Charpentier B. . . 6 Manival X. . . stop_ _Journal_abbreviation Structure _Journal_volume . _Journal_issue . _Journal_ASTM STRUE6 _Journal_ISSN 0969-2126 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc finger HIT domain-containing protein 3, Nuclear fragile X mental retardation-interacting protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Zinc finger HIT domain-containing protein 3' _Molecular_mass 8492.720 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; GPHMDRVSLQNLKNLGESAT LRSLLLNPHLRQLMVNLDQG EDKAKLMRAYMQEPLFVEFA DCCLGIVEPSQNEES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 81 GLY 2 82 PRO 3 83 HIS 4 84 MET 5 85 ASP 6 86 ARG 7 87 VAL 8 88 SER 9 89 LEU 10 90 GLN 11 91 ASN 12 92 LEU 13 93 LYS 14 94 ASN 15 95 LEU 16 96 GLY 17 97 GLU 18 98 SER 19 99 ALA 20 100 THR 21 101 LEU 22 102 ARG 23 103 SER 24 104 LEU 25 105 LEU 26 106 LEU 27 107 ASN 28 108 PRO 29 109 HIS 30 110 LEU 31 111 ARG 32 112 GLN 33 113 LEU 34 114 MET 35 115 VAL 36 116 ASN 37 117 LEU 38 118 ASP 39 119 GLN 40 120 GLY 41 121 GLU 42 122 ASP 43 123 LYS 44 124 ALA 45 125 LYS 46 126 LEU 47 127 MET 48 128 ARG 49 129 ALA 50 130 TYR 51 131 MET 52 132 GLN 53 133 GLU 54 134 PRO 55 135 LEU 56 136 PHE 57 137 VAL 58 138 GLU 59 139 PHE 60 140 ALA 61 141 ASP 62 142 CYS 63 143 CYS 64 144 LEU 65 145 GLY 66 146 ILE 67 147 VAL 68 148 GLU 69 149 PRO 70 150 SER 71 151 GLN 72 152 ASN 73 153 GLU 74 154 GLU 75 155 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Nuclear fragile X mental retardation-interacting protein 1' _Molecular_mass 4030.654 _Mol_thiol_state 'all free' _Details . _Residue_count 34 _Mol_residue_sequence ; DIRHERNVILQCVRYIIKKD FFGLDTNSAKSKDV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 462 ASP 2 463 ILE 3 464 ARG 4 465 HIS 5 466 GLU 6 467 ARG 7 468 ASN 8 469 VAL 9 470 ILE 10 471 LEU 11 472 GLN 12 473 CYS 13 474 VAL 14 475 ARG 15 476 TYR 16 477 ILE 17 478 ILE 18 479 LYS 19 480 LYS 20 481 ASP 21 482 PHE 22 483 PHE 23 484 GLY 24 485 LEU 25 486 ASP 26 487 THR 27 488 ASN 28 489 SER 29 490 ALA 30 491 LYS 31 492 SER 32 493 LYS 33 494 ASP 34 495 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'ZNHIT3, TRIP3' $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens NUFIP1 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_1 'recombinant technology' . . . . . $entity_2 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 1 mM '[U-13C; U-15N]' $entity_1 1 mM '[U-13C; U-15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 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' 150 . mM pH 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '3D HN(CA)CO' '3D HNCACB' '3D HNCA' '2D 1H-13C HSQC aliphatic' '2D 1H-15N HSQC' '2D 1H-13C HSQC aromatic' '2D 1H-1H NOESY' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 81 1 GLY HA2 H 3.991 0.020 2 2 81 1 GLY HA3 H 3.991 0.020 2 3 81 1 GLY CA C 43.326 0.300 1 4 82 2 PRO HA H 4.448 0.020 1 5 82 2 PRO HB2 H 1.840 0.020 1 6 82 2 PRO HB3 H 2.266 0.020 1 7 82 2 PRO HG2 H 1.932 0.020 1 8 82 2 PRO HG3 H 2.004 0.020 1 9 82 2 PRO HD2 H 3.567 0.020 2 10 82 2 PRO HD3 H 3.567 0.020 2 11 82 2 PRO C C 176.666 0.300 1 12 82 2 PRO CA C 63.050 0.300 1 13 82 2 PRO CB C 32.315 0.300 1 14 82 2 PRO CG C 27.025 0.300 1 15 82 2 PRO CD C 49.622 0.300 1 16 83 3 HIS H H 8.644 0.020 1 17 83 3 HIS HA H 4.646 0.020 1 18 83 3 HIS HB2 H 3.153 0.020 2 19 83 3 HIS HB3 H 3.153 0.020 2 20 83 3 HIS HD2 H 7.169 0.020 1 21 83 3 HIS HE1 H 8.225 0.020 1 22 83 3 HIS C C 175.066 0.300 1 23 83 3 HIS CA C 55.978 0.300 1 24 83 3 HIS CB C 29.832 0.300 1 25 83 3 HIS CD2 C 120.082 0.300 1 26 83 3 HIS CE1 C 137.585 0.300 1 27 83 3 HIS N N 119.738 0.300 1 28 83 3 HIS ND1 N 200.009 0.300 1 29 83 3 HIS NE2 N 177.011 0.300 1 30 84 4 MET H H 8.453 0.020 1 31 84 4 MET HA H 4.492 0.020 1 32 84 4 MET HB2 H 1.989 0.020 1 33 84 4 MET HB3 H 2.077 0.020 1 34 84 4 MET HG2 H 2.499 0.020 1 35 84 4 MET HG3 H 2.577 0.020 1 36 84 4 MET HE H 2.087 0.020 1 37 84 4 MET C C 175.670 0.300 1 38 84 4 MET CA C 55.483 0.300 1 39 84 4 MET CB C 32.916 0.300 1 40 84 4 MET CG C 31.984 0.300 1 41 84 4 MET CE C 16.986 0.300 1 42 84 4 MET N N 122.101 0.300 1 43 85 5 ASP H H 8.572 0.020 1 44 85 5 ASP HA H 4.611 0.020 1 45 85 5 ASP HB2 H 2.662 0.020 1 46 85 5 ASP HB3 H 2.720 0.020 1 47 85 5 ASP C C 175.599 0.300 1 48 85 5 ASP CA C 54.725 0.300 1 49 85 5 ASP CB C 41.093 0.300 1 50 85 5 ASP N N 121.392 0.300 1 51 86 6 ARG H H 7.993 0.020 1 52 86 6 ARG HA H 4.491 0.020 1 53 86 6 ARG HB2 H 1.750 0.020 1 54 86 6 ARG HB3 H 1.818 0.020 1 55 86 6 ARG HG2 H 1.559 0.020 1 56 86 6 ARG HG3 H 1.609 0.020 1 57 86 6 ARG HD2 H 3.180 0.020 2 58 86 6 ARG HD3 H 3.180 0.020 2 59 86 6 ARG C C 176.159 0.300 1 60 86 6 ARG CA C 55.626 0.300 1 61 86 6 ARG CB C 31.430 0.300 1 62 86 6 ARG CG C 26.815 0.300 1 63 86 6 ARG CD C 43.220 0.300 1 64 86 6 ARG N N 120.026 0.300 1 65 87 7 VAL H H 8.799 0.020 1 66 87 7 VAL HA H 4.146 0.020 1 67 87 7 VAL HB H 1.865 0.020 1 68 87 7 VAL HG1 H 0.945 0.020 2 69 87 7 VAL HG2 H 1.021 0.020 2 70 87 7 VAL C C 175.937 0.300 1 71 87 7 VAL CA C 61.889 0.300 1 72 87 7 VAL CB C 32.505 0.300 1 73 87 7 VAL CG1 C 21.943 0.300 1 74 87 7 VAL CG2 C 22.061 0.300 1 75 87 7 VAL N N 124.623 0.300 1 76 88 8 SER H H 8.945 0.020 1 77 88 8 SER HA H 4.376 0.020 1 78 88 8 SER HB2 H 4.009 0.020 1 79 88 8 SER HB3 H 4.214 0.020 1 80 88 8 SER C C 175.093 0.300 1 81 88 8 SER CA C 57.999 0.300 1 82 88 8 SER CB C 64.392 0.300 1 83 88 8 SER N N 122.645 0.300 1 84 89 9 LEU H H 8.733 0.020 1 85 89 9 LEU HA H 4.042 0.020 1 86 89 9 LEU HB2 H 1.662 0.020 1 87 89 9 LEU HB3 H 1.722 0.020 1 88 89 9 LEU HG H 1.715 0.020 1 89 89 9 LEU HD1 H 1.035 0.020 2 90 89 9 LEU HD2 H 0.978 0.020 2 91 89 9 LEU C C 178.674 0.300 1 92 89 9 LEU CA C 57.666 0.300 1 93 89 9 LEU CB C 41.479 0.300 1 94 89 9 LEU CG C 27.268 0.300 1 95 89 9 LEU CD1 C 24.385 0.300 1 96 89 9 LEU CD2 C 24.349 0.300 1 97 89 9 LEU N N 124.338 0.300 1 98 90 10 GLN H H 8.393 0.020 1 99 90 10 GLN HA H 3.932 0.020 1 100 90 10 GLN HB2 H 1.957 0.020 1 101 90 10 GLN HB3 H 2.066 0.020 1 102 90 10 GLN HG2 H 2.347 0.020 1 103 90 10 GLN HG3 H 2.401 0.020 1 104 90 10 GLN HE21 H 6.957 0.020 1 105 90 10 GLN HE22 H 7.550 0.020 1 106 90 10 GLN C C 177.083 0.300 1 107 90 10 GLN CA C 58.650 0.300 1 108 90 10 GLN CB C 28.348 0.300 1 109 90 10 GLN CG C 33.873 0.300 1 110 90 10 GLN CD C 180.414 0.300 1 111 90 10 GLN N N 117.126 0.300 1 112 90 10 GLN NE2 N 113.052 0.300 1 113 91 11 ASN H H 7.611 0.020 1 114 91 11 ASN HA H 4.617 0.020 1 115 91 11 ASN HB2 H 2.653 0.020 1 116 91 11 ASN HB3 H 2.843 0.020 1 117 91 11 ASN HD21 H 7.086 0.020 1 118 91 11 ASN HD22 H 7.676 0.020 1 119 91 11 ASN C C 177.252 0.300 1 120 91 11 ASN CA C 55.337 0.300 1 121 91 11 ASN CB C 38.448 0.300 1 122 91 11 ASN CG C 176.115 0.300 1 123 91 11 ASN N N 116.765 0.300 1 124 91 11 ASN ND2 N 112.747 0.300 1 125 92 12 LEU H H 7.904 0.020 1 126 92 12 LEU HA H 3.628 0.020 1 127 92 12 LEU HB2 H 0.059 0.020 1 128 92 12 LEU HB3 H 1.327 0.020 1 129 92 12 LEU HG H 1.467 0.020 1 130 92 12 LEU HD1 H 0.589 0.020 2 131 92 12 LEU HD2 H 0.702 0.020 2 132 92 12 LEU C C 178.790 0.300 1 133 92 12 LEU CA C 57.664 0.300 1 134 92 12 LEU CB C 40.023 0.300 1 135 92 12 LEU CG C 26.221 0.300 1 136 92 12 LEU CD1 C 23.700 0.300 1 137 92 12 LEU CD2 C 25.925 0.300 1 138 92 12 LEU N N 120.387 0.300 1 139 93 13 LYS H H 7.967 0.020 1 140 93 13 LYS HA H 4.111 0.020 1 141 93 13 LYS HB2 H 1.871 0.020 2 142 93 13 LYS HB3 H 1.871 0.020 2 143 93 13 LYS HG2 H 1.459 0.020 2 144 93 13 LYS HG3 H 1.459 0.020 2 145 93 13 LYS HD2 H 1.655 0.020 2 146 93 13 LYS HD3 H 1.655 0.020 2 147 93 13 LYS HE2 H 2.985 0.020 2 148 93 13 LYS HE3 H 2.985 0.020 2 149 93 13 LYS C C 179.607 0.300 1 150 93 13 LYS CA C 58.901 0.300 1 151 93 13 LYS CB C 31.701 0.300 1 152 93 13 LYS CG C 24.918 0.300 1 153 93 13 LYS CD C 29.719 0.300 1 154 93 13 LYS CE C 42.018 0.300 1 155 93 13 LYS N N 115.877 0.300 1 156 94 14 ASN H H 7.474 0.020 1 157 94 14 ASN HA H 4.402 0.020 1 158 94 14 ASN HB2 H 2.733 0.020 1 159 94 14 ASN HB3 H 2.878 0.020 1 160 94 14 ASN HD21 H 6.977 0.020 1 161 94 14 ASN HD22 H 7.802 0.020 1 162 94 14 ASN C C 178.550 0.300 1 163 94 14 ASN CA C 55.113 0.300 1 164 94 14 ASN CB C 37.760 0.300 1 165 94 14 ASN CG C 175.479 0.300 1 166 94 14 ASN N N 116.913 0.300 1 167 94 14 ASN ND2 N 112.593 0.300 1 168 95 15 LEU H H 8.300 0.020 1 169 95 15 LEU HA H 4.041 0.020 1 170 95 15 LEU HB2 H 1.505 0.020 1 171 95 15 LEU HB3 H 2.320 0.020 1 172 95 15 LEU HG H 1.919 0.020 1 173 95 15 LEU HD1 H 1.012 0.020 2 174 95 15 LEU HD2 H 1.197 0.020 2 175 95 15 LEU C C 177.572 0.300 1 176 95 15 LEU CA C 58.813 0.300 1 177 95 15 LEU CB C 41.911 0.300 1 178 95 15 LEU CG C 27.028 0.300 1 179 95 15 LEU CD1 C 23.490 0.300 1 180 95 15 LEU CD2 C 26.744 0.300 1 181 95 15 LEU N N 122.274 0.300 1 182 96 16 GLY H H 7.169 0.020 1 183 96 16 GLY HA2 H 2.420 0.020 1 184 96 16 GLY HA3 H 3.047 0.020 1 185 96 16 GLY C C 174.266 0.300 1 186 96 16 GLY CA C 44.831 0.300 1 187 96 16 GLY N N 100.603 0.300 1 188 97 17 GLU H H 6.841 0.020 1 189 97 17 GLU HA H 4.331 0.020 1 190 97 17 GLU HB2 H 1.764 0.020 1 191 97 17 GLU HB3 H 2.310 0.020 1 192 97 17 GLU HG2 H 2.131 0.020 1 193 97 17 GLU HG3 H 2.314 0.020 1 194 97 17 GLU C C 175.839 0.300 1 195 97 17 GLU CA C 54.889 0.300 1 196 97 17 GLU CB C 30.064 0.300 1 197 97 17 GLU CG C 35.671 0.300 1 198 97 17 GLU N N 116.393 0.300 1 199 98 18 SER H H 6.728 0.020 1 200 98 18 SER HA H 4.551 0.020 1 201 98 18 SER HB2 H 3.895 0.020 2 202 98 18 SER HB3 H 3.895 0.020 2 203 98 18 SER C C 175.439 0.300 1 204 98 18 SER CA C 56.456 0.300 1 205 98 18 SER CB C 62.678 0.300 1 206 98 18 SER N N 112.266 0.300 1 207 99 19 ALA H H 9.238 0.020 1 208 99 19 ALA HA H 4.085 0.020 1 209 99 19 ALA HB H 1.511 0.020 1 210 99 19 ALA C C 180.683 0.300 1 211 99 19 ALA CA C 55.205 0.300 1 212 99 19 ALA CB C 18.124 0.300 1 213 99 19 ALA N N 135.621 0.300 1 214 100 20 THR H H 8.121 0.020 1 215 100 20 THR HA H 3.937 0.020 1 216 100 20 THR HB H 3.815 0.020 1 217 100 20 THR HG2 H 1.269 0.020 1 218 100 20 THR C C 176.577 0.300 1 219 100 20 THR CA C 66.125 0.300 1 220 100 20 THR CB C 68.767 0.300 1 221 100 20 THR CG2 C 22.194 0.300 1 222 100 20 THR N N 115.747 0.300 1 223 101 21 LEU H H 8.185 0.020 1 224 101 21 LEU HA H 4.140 0.020 1 225 101 21 LEU HB2 H 1.715 0.020 1 226 101 21 LEU HB3 H 2.035 0.020 1 227 101 21 LEU HG H 1.842 0.020 1 228 101 21 LEU HD1 H 1.191 0.020 2 229 101 21 LEU HD2 H 1.258 0.020 2 230 101 21 LEU C C 178.772 0.300 1 231 101 21 LEU CA C 57.869 0.300 1 232 101 21 LEU CB C 40.720 0.300 1 233 101 21 LEU CG C 27.797 0.300 1 234 101 21 LEU CD1 C 24.463 0.300 1 235 101 21 LEU CD2 C 27.403 0.300 1 236 101 21 LEU N N 123.736 0.300 1 237 102 22 ARG H H 8.004 0.020 1 238 102 22 ARG HA H 3.817 0.020 1 239 102 22 ARG HB2 H 1.962 0.020 2 240 102 22 ARG HB3 H 1.962 0.020 2 241 102 22 ARG HG2 H 1.481 0.020 1 242 102 22 ARG HG3 H 1.914 0.020 1 243 102 22 ARG HD2 H 3.160 0.020 1 244 102 22 ARG HD3 H 3.264 0.020 1 245 102 22 ARG HE H 7.379 0.020 1 246 102 22 ARG C C 177.856 0.300 1 247 102 22 ARG CA C 60.461 0.300 1 248 102 22 ARG CB C 30.021 0.300 1 249 102 22 ARG CG C 28.643 0.300 1 250 102 22 ARG CD C 43.260 0.300 1 251 102 22 ARG N N 116.901 0.300 1 252 102 22 ARG NE N 83.793 0.300 1 253 103 23 SER H H 7.595 0.020 1 254 103 23 SER HA H 4.288 0.020 1 255 103 23 SER HB2 H 4.060 0.020 2 256 103 23 SER HB3 H 4.060 0.020 2 257 103 23 SER C C 177.794 0.300 1 258 103 23 SER CA C 61.772 0.300 1 259 103 23 SER CB C 63.106 0.300 1 260 103 23 SER N N 111.238 0.300 1 261 104 24 LEU H H 7.886 0.020 1 262 104 24 LEU HA H 4.237 0.020 1 263 104 24 LEU HB2 H 1.539 0.020 1 264 104 24 LEU HB3 H 2.200 0.020 1 265 104 24 LEU HG H 2.177 0.020 1 266 104 24 LEU HD1 H 0.899 0.020 2 267 104 24 LEU HD2 H 0.976 0.020 2 268 104 24 LEU C C 179.918 0.300 1 269 104 24 LEU CA C 57.902 0.300 1 270 104 24 LEU CB C 40.745 0.300 1 271 104 24 LEU CG C 26.009 0.300 1 272 104 24 LEU CD1 C 21.232 0.300 1 273 104 24 LEU CD2 C 26.006 0.300 1 274 104 24 LEU N N 122.029 0.300 1 275 105 25 LEU H H 7.982 0.020 1 276 105 25 LEU HA H 3.985 0.020 1 277 105 25 LEU HB2 H 1.555 0.020 1 278 105 25 LEU HB3 H 2.176 0.020 1 279 105 25 LEU HG H 2.298 0.020 1 280 105 25 LEU HD1 H 0.961 0.020 2 281 105 25 LEU HD2 H 1.109 0.020 2 282 105 25 LEU C C 175.803 0.300 1 283 105 25 LEU CA C 55.748 0.300 1 284 105 25 LEU CB C 41.777 0.300 1 285 105 25 LEU CG C 26.130 0.300 1 286 105 25 LEU CD1 C 22.963 0.300 1 287 105 25 LEU CD2 C 27.445 0.300 1 288 105 25 LEU N N 114.782 0.300 1 289 106 26 LEU H H 7.248 0.020 1 290 106 26 LEU HA H 4.006 0.020 1 291 106 26 LEU HB2 H 1.604 0.020 1 292 106 26 LEU HB3 H 1.931 0.020 1 293 106 26 LEU HG H 2.079 0.020 1 294 106 26 LEU HD1 H 0.946 0.020 2 295 106 26 LEU HD2 H 1.042 0.020 2 296 106 26 LEU C C 177.225 0.300 1 297 106 26 LEU CA C 56.133 0.300 1 298 106 26 LEU CB C 42.117 0.300 1 299 106 26 LEU CG C 26.240 0.300 1 300 106 26 LEU CD1 C 23.317 0.300 1 301 106 26 LEU CD2 C 25.656 0.300 1 302 106 26 LEU N N 116.907 0.300 1 303 107 27 ASN H H 7.595 0.020 1 304 107 27 ASN HA H 4.963 0.020 1 305 107 27 ASN HB2 H 2.853 0.020 1 306 107 27 ASN HB3 H 3.187 0.020 1 307 107 27 ASN HD21 H 7.410 0.020 1 308 107 27 ASN HD22 H 8.016 0.020 1 309 107 27 ASN CA C 51.414 0.300 1 310 107 27 ASN CB C 40.066 0.300 1 311 107 27 ASN CG C 176.792 0.300 1 312 107 27 ASN N N 119.760 0.300 1 313 107 27 ASN ND2 N 115.947 0.300 1 314 108 28 PRO HA H 3.928 0.020 1 315 108 28 PRO HB2 H 1.982 0.020 1 316 108 28 PRO HB3 H 2.288 0.020 1 317 108 28 PRO HG2 H 2.042 0.020 2 318 108 28 PRO HG3 H 2.042 0.020 2 319 108 28 PRO HD2 H 3.936 0.020 1 320 108 28 PRO HD3 H 4.339 0.020 1 321 108 28 PRO C C 179.038 0.300 1 322 108 28 PRO CA C 64.778 0.300 1 323 108 28 PRO CB C 31.983 0.300 1 324 108 28 PRO CG C 27.171 0.300 1 325 108 28 PRO CD C 51.243 0.300 1 326 109 29 HIS H H 8.243 0.020 1 327 109 29 HIS HA H 4.488 0.020 1 328 109 29 HIS HB2 H 3.199 0.020 2 329 109 29 HIS HB3 H 3.199 0.020 2 330 109 29 HIS HD2 H 7.038 0.020 1 331 109 29 HIS HE1 H 8.267 0.020 1 332 109 29 HIS C C 177.474 0.300 1 333 109 29 HIS CA C 58.297 0.300 1 334 109 29 HIS CB C 29.088 0.300 1 335 109 29 HIS CD2 C 119.288 0.300 1 336 109 29 HIS CE1 C 137.885 0.300 1 337 109 29 HIS N N 118.546 0.300 1 338 109 29 HIS ND1 N 201.129 0.300 1 339 109 29 HIS NE2 N 175.332 0.300 1 340 110 30 LEU H H 7.445 0.020 1 341 110 30 LEU HA H 3.873 0.020 1 342 110 30 LEU HB2 H 1.409 0.020 1 343 110 30 LEU HB3 H 2.022 0.020 1 344 110 30 LEU HG H 1.249 0.020 1 345 110 30 LEU HD1 H 0.598 0.020 2 346 110 30 LEU HD2 H 0.846 0.020 2 347 110 30 LEU C C 178.354 0.300 1 348 110 30 LEU CA C 57.656 0.300 1 349 110 30 LEU CB C 40.724 0.300 1 350 110 30 LEU CG C 27.766 0.300 1 351 110 30 LEU CD1 C 21.673 0.300 1 352 110 30 LEU CD2 C 25.829 0.300 1 353 110 30 LEU N N 118.924 0.300 1 354 111 31 ARG H H 7.295 0.020 1 355 111 31 ARG HA H 3.952 0.020 1 356 111 31 ARG HB2 H 1.142 0.020 1 357 111 31 ARG HB3 H 1.644 0.020 1 358 111 31 ARG HG2 H 0.696 0.020 1 359 111 31 ARG HG3 H 1.811 0.020 1 360 111 31 ARG HD2 H 2.664 0.020 2 361 111 31 ARG HD3 H 2.664 0.020 2 362 111 31 ARG HE H 7.444 0.020 1 363 111 31 ARG C C 177.830 0.300 1 364 111 31 ARG CA C 60.927 0.300 1 365 111 31 ARG CB C 29.319 0.300 1 366 111 31 ARG CG C 27.657 0.300 1 367 111 31 ARG CD C 42.873 0.300 1 368 111 31 ARG N N 114.989 0.300 1 369 111 31 ARG NE N 82.190 0.300 1 370 112 32 GLN H H 7.607 0.020 1 371 112 32 GLN HA H 3.930 0.020 1 372 112 32 GLN HB2 H 2.127 0.020 2 373 112 32 GLN HB3 H 2.127 0.020 2 374 112 32 GLN HG2 H 2.341 0.020 2 375 112 32 GLN HG3 H 2.341 0.020 2 376 112 32 GLN HE21 H 7.004 0.020 1 377 112 32 GLN HE22 H 7.428 0.020 1 378 112 32 GLN C C 178.114 0.300 1 379 112 32 GLN CA C 58.652 0.300 1 380 112 32 GLN CB C 28.496 0.300 1 381 112 32 GLN CG C 33.972 0.300 1 382 112 32 GLN CD C 180.332 0.300 1 383 112 32 GLN N N 117.200 0.300 1 384 112 32 GLN NE2 N 114.088 0.300 1 385 113 33 LEU H H 7.665 0.020 1 386 113 33 LEU HA H 3.799 0.020 1 387 113 33 LEU HB2 H 0.801 0.020 1 388 113 33 LEU HB3 H 1.849 0.020 1 389 113 33 LEU HG H 1.398 0.020 1 390 113 33 LEU HD1 H 0.093 0.020 2 391 113 33 LEU HD2 H 0.424 0.020 2 392 113 33 LEU C C 179.981 0.300 1 393 113 33 LEU CA C 57.866 0.300 1 394 113 33 LEU CB C 41.000 0.300 1 395 113 33 LEU CG C 25.340 0.300 1 396 113 33 LEU CD1 C 20.444 0.300 1 397 113 33 LEU CD2 C 25.866 0.300 1 398 113 33 LEU N N 118.432 0.300 1 399 114 34 MET H H 8.177 0.020 1 400 114 34 MET HA H 3.772 0.020 1 401 114 34 MET HB2 H 2.246 0.020 1 402 114 34 MET HB3 H 2.492 0.020 1 403 114 34 MET HG2 H 1.935 0.020 1 404 114 34 MET HG3 H 2.530 0.020 1 405 114 34 MET HE H 1.916 0.020 1 406 114 34 MET C C 177.039 0.300 1 407 114 34 MET CA C 60.583 0.300 1 408 114 34 MET CB C 33.715 0.300 1 409 114 34 MET CG C 31.673 0.300 1 410 114 34 MET CE C 17.637 0.300 1 411 114 34 MET N N 117.214 0.300 1 412 115 35 VAL H H 8.314 0.020 1 413 115 35 VAL HA H 3.624 0.020 1 414 115 35 VAL HB H 2.129 0.020 1 415 115 35 VAL HG1 H 0.993 0.020 2 416 115 35 VAL HG2 H 1.216 0.020 2 417 115 35 VAL C C 177.954 0.300 1 418 115 35 VAL CA C 66.874 0.300 1 419 115 35 VAL CB C 31.879 0.300 1 420 115 35 VAL CG1 C 21.100 0.300 1 421 115 35 VAL CG2 C 22.786 0.300 1 422 115 35 VAL N N 119.717 0.300 1 423 116 36 ASN H H 8.411 0.020 1 424 116 36 ASN HA H 4.332 0.020 1 425 116 36 ASN HB2 H 2.893 0.020 1 426 116 36 ASN HB3 H 3.198 0.020 1 427 116 36 ASN HD21 H 7.024 0.020 1 428 116 36 ASN HD22 H 7.083 0.020 1 429 116 36 ASN C C 178.736 0.300 1 430 116 36 ASN CA C 55.560 0.300 1 431 116 36 ASN CB C 37.968 0.300 1 432 116 36 ASN CG C 176.351 0.300 1 433 116 36 ASN N N 118.538 0.300 1 434 116 36 ASN ND2 N 108.734 0.300 1 435 117 37 LEU H H 8.199 0.020 1 436 117 37 LEU HA H 4.120 0.020 1 437 117 37 LEU HB2 H 1.738 0.020 1 438 117 37 LEU HB3 H 2.097 0.020 1 439 117 37 LEU HG H 1.651 0.020 1 440 117 37 LEU HD1 H 0.866 0.020 2 441 117 37 LEU HD2 H 1.091 0.020 2 442 117 37 LEU C C 177.394 0.300 1 443 117 37 LEU CA C 57.526 0.300 1 444 117 37 LEU CB C 42.676 0.300 1 445 117 37 LEU CG C 27.065 0.300 1 446 117 37 LEU CD1 C 24.629 0.300 1 447 117 37 LEU CD2 C 26.991 0.300 1 448 117 37 LEU N N 120.479 0.300 1 449 118 38 ASP H H 8.327 0.020 1 450 118 38 ASP HA H 4.324 0.020 1 451 118 38 ASP HB2 H 2.642 0.020 1 452 118 38 ASP HB3 H 2.695 0.020 1 453 118 38 ASP C C 177.972 0.300 1 454 118 38 ASP CA C 57.689 0.300 1 455 118 38 ASP CB C 44.284 0.300 1 456 118 38 ASP N N 118.454 0.300 1 457 119 39 GLN H H 7.989 0.020 1 458 119 39 GLN HA H 4.348 0.020 1 459 119 39 GLN HB2 H 1.995 0.020 1 460 119 39 GLN HB3 H 2.204 0.020 1 461 119 39 GLN HG2 H 2.498 0.020 1 462 119 39 GLN HG3 H 2.595 0.020 1 463 119 39 GLN HE21 H 6.801 0.020 1 464 119 39 GLN HE22 H 7.642 0.020 1 465 119 39 GLN C C 177.679 0.300 1 466 119 39 GLN CA C 55.585 0.300 1 467 119 39 GLN CB C 29.399 0.300 1 468 119 39 GLN CG C 34.047 0.300 1 469 119 39 GLN CD C 180.558 0.300 1 470 119 39 GLN N N 111.892 0.300 1 471 119 39 GLN NE2 N 112.221 0.300 1 472 120 40 GLY H H 7.718 0.020 1 473 120 40 GLY HA2 H 3.482 0.020 1 474 120 40 GLY HA3 H 4.034 0.020 1 475 120 40 GLY C C 173.591 0.300 1 476 120 40 GLY CA C 45.857 0.300 1 477 120 40 GLY N N 108.755 0.300 1 478 121 41 GLU H H 8.626 0.020 1 479 121 41 GLU HA H 4.240 0.020 1 480 121 41 GLU HB2 H 2.040 0.020 2 481 121 41 GLU HB3 H 2.040 0.020 2 482 121 41 GLU HG2 H 2.297 0.020 1 483 121 41 GLU HG3 H 2.354 0.020 1 484 121 41 GLU C C 176.852 0.300 1 485 121 41 GLU CA C 58.299 0.300 1 486 121 41 GLU CB C 30.083 0.300 1 487 121 41 GLU CG C 36.363 0.300 1 488 121 41 GLU N N 122.093 0.300 1 489 122 42 ASP H H 8.462 0.020 1 490 122 42 ASP HA H 4.824 0.020 1 491 122 42 ASP HB2 H 2.408 0.020 1 492 122 42 ASP HB3 H 3.008 0.020 1 493 122 42 ASP C C 176.088 0.300 1 494 122 42 ASP CA C 52.115 0.300 1 495 122 42 ASP CB C 39.787 0.300 1 496 122 42 ASP N N 119.725 0.300 1 497 123 43 LYS H H 8.275 0.020 1 498 123 43 LYS HA H 3.736 0.020 1 499 123 43 LYS HB2 H 1.742 0.020 1 500 123 43 LYS HB3 H 1.875 0.020 1 501 123 43 LYS HG2 H 1.618 0.020 2 502 123 43 LYS HG3 H 1.618 0.020 2 503 123 43 LYS HD2 H 1.636 0.020 2 504 123 43 LYS HD3 H 1.636 0.020 2 505 123 43 LYS HE2 H 3.144 0.020 1 506 123 43 LYS HE3 H 3.266 0.020 1 507 123 43 LYS C C 178.336 0.300 1 508 123 43 LYS CA C 59.162 0.300 1 509 123 43 LYS CB C 32.509 0.300 1 510 123 43 LYS CG C 25.779 0.300 1 511 123 43 LYS CD C 28.918 0.300 1 512 123 43 LYS CE C 43.274 0.300 1 513 123 43 LYS N N 121.263 0.300 1 514 124 44 ALA H H 8.319 0.020 1 515 124 44 ALA HA H 3.948 0.020 1 516 124 44 ALA HB H 1.442 0.020 1 517 124 44 ALA C C 180.096 0.300 1 518 124 44 ALA CA C 55.296 0.300 1 519 124 44 ALA CB C 17.961 0.300 1 520 124 44 ALA N N 120.398 0.300 1 521 125 45 LYS H H 7.607 0.020 1 522 125 45 LYS HA H 3.823 0.020 1 523 125 45 LYS HB2 H 1.649 0.020 1 524 125 45 LYS HB3 H 1.786 0.020 1 525 125 45 LYS HG2 H 1.219 0.020 1 526 125 45 LYS HG3 H 1.445 0.020 1 527 125 45 LYS HD2 H 1.659 0.020 2 528 125 45 LYS HD3 H 1.659 0.020 2 529 125 45 LYS HE2 H 2.974 0.020 2 530 125 45 LYS HE3 H 2.974 0.020 2 531 125 45 LYS C C 179.723 0.300 1 532 125 45 LYS CA C 59.375 0.300 1 533 125 45 LYS CB C 32.758 0.300 1 534 125 45 LYS CG C 25.096 0.300 1 535 125 45 LYS CD C 29.581 0.300 1 536 125 45 LYS CE C 42.012 0.300 1 537 125 45 LYS N N 119.714 0.300 1 538 126 46 LEU H H 7.531 0.020 1 539 126 46 LEU HA H 3.672 0.020 1 540 126 46 LEU HB2 H 0.718 0.020 1 541 126 46 LEU HB3 H 1.465 0.020 1 542 126 46 LEU HG H 1.474 0.020 1 543 126 46 LEU HD1 H 0.680 0.020 2 544 126 46 LEU HD2 H 0.763 0.020 2 545 126 46 LEU C C 177.439 0.300 1 546 126 46 LEU CA C 57.351 0.300 1 547 126 46 LEU CB C 42.212 0.300 1 548 126 46 LEU CG C 26.579 0.300 1 549 126 46 LEU CD1 C 22.479 0.300 1 550 126 46 LEU CD2 C 26.229 0.300 1 551 126 46 LEU N N 119.459 0.300 1 552 127 47 MET H H 8.304 0.020 1 553 127 47 MET HA H 3.754 0.020 1 554 127 47 MET HB2 H 2.082 0.020 2 555 127 47 MET HB3 H 2.082 0.020 2 556 127 47 MET HG2 H 2.536 0.020 1 557 127 47 MET HG3 H 2.622 0.020 1 558 127 47 MET HE H 2.240 0.020 1 559 127 47 MET C C 177.812 0.300 1 560 127 47 MET CA C 58.526 0.300 1 561 127 47 MET CB C 31.265 0.300 1 562 127 47 MET CG C 33.602 0.300 1 563 127 47 MET CE C 17.670 0.300 1 564 127 47 MET N N 116.604 0.300 1 565 128 48 ARG H H 7.549 0.020 1 566 128 48 ARG HA H 3.964 0.020 1 567 128 48 ARG HB2 H 1.831 0.020 1 568 128 48 ARG HB3 H 1.889 0.020 1 569 128 48 ARG HG2 H 1.572 0.020 1 570 128 48 ARG HG3 H 1.796 0.020 1 571 128 48 ARG HD2 H 3.172 0.020 1 572 128 48 ARG HD3 H 3.237 0.020 1 573 128 48 ARG C C 179.278 0.300 1 574 128 48 ARG CA C 59.591 0.300 1 575 128 48 ARG CB C 29.772 0.300 1 576 128 48 ARG CG C 27.687 0.300 1 577 128 48 ARG CD C 43.562 0.300 1 578 128 48 ARG N N 116.675 0.300 1 579 129 49 ALA H H 7.429 0.020 1 580 129 49 ALA HA H 4.199 0.020 1 581 129 49 ALA HB H 1.476 0.020 1 582 129 49 ALA C C 181.598 0.300 1 583 129 49 ALA CA C 54.837 0.300 1 584 129 49 ALA CB C 17.656 0.300 1 585 129 49 ALA N N 121.512 0.300 1 586 130 50 TYR H H 8.927 0.020 1 587 130 50 TYR HA H 4.414 0.020 1 588 130 50 TYR HB2 H 2.369 0.020 2 589 130 50 TYR HB3 H 2.369 0.020 2 590 130 50 TYR HD1 H 6.193 0.020 1 591 130 50 TYR HD2 H 6.193 0.020 1 592 130 50 TYR HE1 H 6.695 0.020 1 593 130 50 TYR HE2 H 6.695 0.020 1 594 130 50 TYR C C 178.203 0.300 1 595 130 50 TYR CA C 57.280 0.300 1 596 130 50 TYR CB C 34.251 0.300 1 597 130 50 TYR CD1 C 129.956 0.300 1 598 130 50 TYR CE1 C 118.254 0.300 1 599 130 50 TYR N N 120.862 0.300 1 600 131 51 MET H H 7.993 0.020 1 601 131 51 MET HA H 4.750 0.020 1 602 131 51 MET HB2 H 2.182 0.020 1 603 131 51 MET HB3 H 2.266 0.020 1 604 131 51 MET HG2 H 2.876 0.020 1 605 131 51 MET HG3 H 2.944 0.020 1 606 131 51 MET HE H 2.169 0.020 1 607 131 51 MET C C 176.594 0.300 1 608 131 51 MET CA C 55.930 0.300 1 609 131 51 MET CB C 30.246 0.300 1 610 131 51 MET CG C 33.067 0.300 1 611 131 51 MET CE C 16.566 0.300 1 612 131 51 MET N N 116.940 0.300 1 613 132 52 GLN H H 7.507 0.020 1 614 132 52 GLN HA H 4.489 0.020 1 615 132 52 GLN HB2 H 2.115 0.020 1 616 132 52 GLN HB3 H 2.535 0.020 1 617 132 52 GLN HG2 H 2.449 0.020 1 618 132 52 GLN HG3 H 2.538 0.020 1 619 132 52 GLN HE21 H 6.881 0.020 1 620 132 52 GLN HE22 H 7.548 0.020 1 621 132 52 GLN C C 175.839 0.300 1 622 132 52 GLN CA C 55.237 0.300 1 623 132 52 GLN CB C 29.213 0.300 1 624 132 52 GLN CG C 34.150 0.300 1 625 132 52 GLN CD C 180.588 0.300 1 626 132 52 GLN N N 114.682 0.300 1 627 132 52 GLN NE2 N 112.452 0.300 1 628 133 53 GLU H H 7.985 0.020 1 629 133 53 GLU HA H 4.944 0.020 1 630 133 53 GLU HB2 H 2.151 0.020 1 631 133 53 GLU HB3 H 2.433 0.020 1 632 133 53 GLU HG2 H 2.226 0.020 1 633 133 53 GLU HG3 H 2.310 0.020 1 634 133 53 GLU CA C 53.010 0.300 1 635 133 53 GLU CB C 29.524 0.300 1 636 133 53 GLU CG C 35.361 0.300 1 637 133 53 GLU N N 122.409 0.300 1 638 134 54 PRO HA H 4.243 0.020 1 639 134 54 PRO HB2 H 2.040 0.020 1 640 134 54 PRO HB3 H 2.453 0.020 1 641 134 54 PRO HG2 H 2.071 0.020 1 642 134 54 PRO HG3 H 2.212 0.020 1 643 134 54 PRO HD2 H 4.064 0.020 1 644 134 54 PRO HD3 H 4.202 0.020 1 645 134 54 PRO C C 179.145 0.300 1 646 134 54 PRO CA C 65.863 0.300 1 647 134 54 PRO CB C 32.463 0.300 1 648 134 54 PRO CG C 27.479 0.300 1 649 134 54 PRO CD C 51.418 0.300 1 650 135 55 LEU H H 9.016 0.020 1 651 135 55 LEU HA H 4.339 0.020 1 652 135 55 LEU HB2 H 1.539 0.020 1 653 135 55 LEU HB3 H 1.818 0.020 1 654 135 55 LEU HG H 1.749 0.020 1 655 135 55 LEU HD1 H 0.971 0.020 2 656 135 55 LEU HD2 H 1.006 0.020 2 657 135 55 LEU C C 179.972 0.300 1 658 135 55 LEU CA C 57.695 0.300 1 659 135 55 LEU CB C 42.880 0.300 1 660 135 55 LEU CG C 26.958 0.300 1 661 135 55 LEU CD1 C 24.245 0.300 1 662 135 55 LEU CD2 C 25.453 0.300 1 663 135 55 LEU N N 116.426 0.300 1 664 136 56 PHE H H 7.772 0.020 1 665 136 56 PHE HA H 4.108 0.020 1 666 136 56 PHE HB2 H 2.643 0.020 1 667 136 56 PHE HB3 H 3.833 0.020 1 668 136 56 PHE HD1 H 7.036 0.020 1 669 136 56 PHE HD2 H 7.036 0.020 1 670 136 56 PHE HE1 H 7.161 0.020 1 671 136 56 PHE HE2 H 7.161 0.020 1 672 136 56 PHE C C 176.692 0.300 1 673 136 56 PHE CA C 61.888 0.300 1 674 136 56 PHE CB C 39.605 0.300 1 675 136 56 PHE CD1 C 132.800 0.300 1 676 136 56 PHE CE1 C 130.281 0.300 1 677 136 56 PHE N N 119.452 0.300 1 678 137 57 VAL H H 8.222 0.020 1 679 137 57 VAL HA H 3.556 0.020 1 680 137 57 VAL HB H 2.111 0.020 1 681 137 57 VAL HG1 H 1.004 0.020 2 682 137 57 VAL HG2 H 1.207 0.020 2 683 137 57 VAL C C 177.457 0.300 1 684 137 57 VAL CA C 67.205 0.300 1 685 137 57 VAL CB C 31.887 0.300 1 686 137 57 VAL CG1 C 21.414 0.300 1 687 137 57 VAL CG2 C 23.731 0.300 1 688 137 57 VAL N N 120.768 0.300 1 689 138 58 GLU H H 7.931 0.020 1 690 138 58 GLU HA H 4.082 0.020 1 691 138 58 GLU HB2 H 2.137 0.020 2 692 138 58 GLU HB3 H 2.137 0.020 2 693 138 58 GLU HG2 H 2.201 0.020 1 694 138 58 GLU HG3 H 2.359 0.020 1 695 138 58 GLU C C 179.332 0.300 1 696 138 58 GLU CA C 59.387 0.300 1 697 138 58 GLU CB C 30.021 0.300 1 698 138 58 GLU CG C 36.492 0.300 1 699 138 58 GLU N N 118.427 0.300 1 700 139 59 PHE H H 7.405 0.020 1 701 139 59 PHE HA H 4.008 0.020 1 702 139 59 PHE HB2 H 3.066 0.020 1 703 139 59 PHE HB3 H 3.201 0.020 1 704 139 59 PHE HD1 H 6.534 0.020 1 705 139 59 PHE HD2 H 6.534 0.020 1 706 139 59 PHE HE1 H 6.873 0.020 1 707 139 59 PHE HE2 H 6.873 0.020 1 708 139 59 PHE C C 175.519 0.300 1 709 139 59 PHE CA C 60.534 0.300 1 710 139 59 PHE CB C 39.352 0.300 1 711 139 59 PHE CD1 C 132.481 0.300 1 712 139 59 PHE CE1 C 130.196 0.300 1 713 139 59 PHE N N 120.772 0.300 1 714 140 60 ALA H H 9.041 0.020 1 715 140 60 ALA HA H 3.215 0.020 1 716 140 60 ALA HB H 1.268 0.020 1 717 140 60 ALA C C 178.665 0.300 1 718 140 60 ALA CA C 55.560 0.300 1 719 140 60 ALA CB C 17.825 0.300 1 720 140 60 ALA N N 126.246 0.300 1 721 141 61 ASP H H 8.549 0.020 1 722 141 61 ASP HA H 4.245 0.020 1 723 141 61 ASP HB2 H 2.537 0.020 1 724 141 61 ASP HB3 H 2.697 0.020 1 725 141 61 ASP C C 179.110 0.300 1 726 141 61 ASP CA C 57.300 0.300 1 727 141 61 ASP CB C 40.215 0.300 1 728 141 61 ASP N N 117.186 0.300 1 729 142 62 CYS H H 7.751 0.020 1 730 142 62 CYS HA H 4.030 0.020 1 731 142 62 CYS HB2 H 2.848 0.020 1 732 142 62 CYS HB3 H 3.086 0.020 1 733 142 62 CYS HG H 1.824 0.020 1 734 142 62 CYS C C 177.785 0.300 1 735 142 62 CYS CA C 62.111 0.300 1 736 142 62 CYS CB C 26.174 0.300 1 737 142 62 CYS N N 120.722 0.300 1 738 143 63 CYS H H 8.101 0.020 1 739 143 63 CYS HA H 3.725 0.020 1 740 143 63 CYS HB2 H 2.724 0.020 2 741 143 63 CYS HB3 H 2.724 0.020 2 742 143 63 CYS HG H 1.224 0.020 1 743 143 63 CYS C C 177.394 0.300 1 744 143 63 CYS CA C 64.781 0.300 1 745 143 63 CYS CB C 27.184 0.300 1 746 143 63 CYS N N 116.208 0.300 1 747 144 64 LEU H H 8.366 0.020 1 748 144 64 LEU HA H 3.780 0.020 1 749 144 64 LEU HB2 H 1.483 0.020 1 750 144 64 LEU HB3 H 1.774 0.020 1 751 144 64 LEU HG H 1.720 0.020 1 752 144 64 LEU HD1 H 0.768 0.020 2 753 144 64 LEU HD2 H 0.835 0.020 2 754 144 64 LEU C C 178.594 0.300 1 755 144 64 LEU CA C 58.243 0.300 1 756 144 64 LEU CB C 40.881 0.300 1 757 144 64 LEU CG C 27.066 0.300 1 758 144 64 LEU CD1 C 22.566 0.300 1 759 144 64 LEU CD2 C 25.283 0.300 1 760 144 64 LEU N N 119.301 0.300 1 761 145 65 GLY H H 7.639 0.020 1 762 145 65 GLY HA2 H 3.853 0.020 2 763 145 65 GLY HA3 H 3.853 0.020 2 764 145 65 GLY C C 175.164 0.300 1 765 145 65 GLY CA C 46.361 0.300 1 766 145 65 GLY N N 103.551 0.300 1 767 146 66 ILE H H 7.358 0.020 1 768 146 66 ILE HA H 3.900 0.020 1 769 146 66 ILE HB H 1.843 0.020 1 770 146 66 ILE HG12 H 1.005 0.020 1 771 146 66 ILE HG13 H 1.890 0.020 1 772 146 66 ILE HG2 H 0.727 0.020 1 773 146 66 ILE HD1 H 1.003 0.020 1 774 146 66 ILE C C 177.892 0.300 1 775 146 66 ILE CA C 63.912 0.300 1 776 146 66 ILE CB C 39.186 0.300 1 777 146 66 ILE CG1 C 28.756 0.300 1 778 146 66 ILE CG2 C 17.932 0.300 1 779 146 66 ILE CD1 C 16.086 0.300 1 780 146 66 ILE N N 118.997 0.300 1 781 147 67 VAL H H 7.995 0.020 1 782 147 67 VAL HA H 4.140 0.020 1 783 147 67 VAL HB H 2.172 0.020 1 784 147 67 VAL HG1 H 0.782 0.020 2 785 147 67 VAL HG2 H 0.885 0.020 2 786 147 67 VAL C C 175.466 0.300 1 787 147 67 VAL CA C 63.105 0.300 1 788 147 67 VAL CB C 32.151 0.300 1 789 147 67 VAL CG1 C 19.651 0.300 1 790 147 67 VAL CG2 C 21.786 0.300 1 791 147 67 VAL N N 110.817 0.300 1 792 148 68 GLU H H 7.995 0.020 1 793 148 68 GLU HA H 4.704 0.020 1 794 148 68 GLU HB2 H 1.964 0.020 1 795 148 68 GLU HB3 H 2.055 0.020 1 796 148 68 GLU HG2 H 2.236 0.020 2 797 148 68 GLU HG3 H 2.236 0.020 2 798 148 68 GLU CA C 54.457 0.300 1 799 148 68 GLU CB C 29.710 0.300 1 800 148 68 GLU CG C 36.582 0.300 1 801 148 68 GLU N N 121.657 0.300 1 802 149 69 PRO HA H 4.454 0.020 1 803 149 69 PRO HB2 H 1.960 0.020 1 804 149 69 PRO HB3 H 2.329 0.020 1 805 149 69 PRO HG2 H 1.967 0.020 2 806 149 69 PRO HG3 H 1.967 0.020 2 807 149 69 PRO HD2 H 3.448 0.020 1 808 149 69 PRO HD3 H 3.528 0.020 1 809 149 69 PRO C C 177.581 0.300 1 810 149 69 PRO CA C 63.498 0.300 1 811 149 69 PRO CB C 32.144 0.300 1 812 149 69 PRO CG C 27.147 0.300 1 813 149 69 PRO CD C 50.262 0.300 1 814 150 70 SER H H 8.462 0.020 1 815 150 70 SER HA H 4.434 0.020 1 816 150 70 SER HB2 H 3.894 0.020 2 817 150 70 SER HB3 H 3.894 0.020 2 818 150 70 SER C C 174.790 0.300 1 819 150 70 SER CA C 58.454 0.300 1 820 150 70 SER CB C 63.984 0.300 1 821 150 70 SER N N 116.021 0.300 1 822 151 71 GLN H H 8.480 0.020 1 823 151 71 GLN HA H 4.392 0.020 1 824 151 71 GLN HB2 H 1.995 0.020 1 825 151 71 GLN HB3 H 2.151 0.020 1 826 151 71 GLN HG2 H 2.363 0.020 2 827 151 71 GLN HG3 H 2.363 0.020 2 828 151 71 GLN HE21 H 6.855 0.020 1 829 151 71 GLN HE22 H 7.569 0.020 1 830 151 71 GLN C C 175.590 0.300 1 831 151 71 GLN CA C 55.711 0.300 1 832 151 71 GLN CB C 29.524 0.300 1 833 151 71 GLN CG C 33.800 0.300 1 834 151 71 GLN CD C 180.517 0.300 1 835 151 71 GLN N N 122.220 0.300 1 836 151 71 GLN NE2 N 112.638 0.300 1 837 152 72 ASN H H 8.480 0.020 1 838 152 72 ASN HA H 4.717 0.020 1 839 152 72 ASN HB2 H 2.734 0.020 1 840 152 72 ASN HB3 H 2.839 0.020 1 841 152 72 ASN HD21 H 6.951 0.020 1 842 152 72 ASN HD22 H 7.623 0.020 1 843 152 72 ASN C C 175.084 0.300 1 844 152 72 ASN CA C 53.391 0.300 1 845 152 72 ASN CB C 39.358 0.300 1 846 152 72 ASN CG C 176.997 0.300 1 847 152 72 ASN N N 119.885 0.300 1 848 152 72 ASN ND2 N 113.275 0.300 1 849 153 73 GLU H H 8.475 0.020 1 850 153 73 GLU HA H 4.339 0.020 1 851 153 73 GLU HB2 H 1.955 0.020 1 852 153 73 GLU HB3 H 2.102 0.020 1 853 153 73 GLU HG2 H 2.287 0.020 2 854 153 73 GLU HG3 H 2.287 0.020 2 855 153 73 GLU C C 176.363 0.300 1 856 153 73 GLU CA C 56.582 0.300 1 857 153 73 GLU CB C 30.332 0.300 1 858 153 73 GLU CG C 36.303 0.300 1 859 153 73 GLU N N 121.512 0.300 1 860 154 74 GLU H H 8.457 0.020 1 861 154 74 GLU HA H 4.366 0.020 1 862 154 74 GLU HB2 H 1.955 0.020 1 863 154 74 GLU HB3 H 2.116 0.020 1 864 154 74 GLU HG2 H 2.274 0.020 2 865 154 74 GLU HG3 H 2.274 0.020 2 866 154 74 GLU C C 175.706 0.300 1 867 154 74 GLU CA C 56.514 0.300 1 868 154 74 GLU CB C 30.277 0.300 1 869 154 74 GLU CG C 36.303 0.300 1 870 154 74 GLU N N 122.278 0.300 1 871 155 75 SER H H 8.014 0.020 1 872 155 75 SER HA H 4.269 0.020 1 873 155 75 SER HB2 H 3.857 0.020 2 874 155 75 SER HB3 H 3.857 0.020 2 875 155 75 SER CA C 60.063 0.300 1 876 155 75 SER CB C 64.911 0.300 1 877 155 75 SER N N 122.682 0.300 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '3D HN(CA)CO' '3D HNCACB' '3D HNCA' '2D 1H-13C HSQC aliphatic' '2D 1H-15N HSQC' '2D 1H-13C HSQC aromatic' '2D 1H-1H NOESY' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 1 462 1 ASP HA H 4.772 0.020 1 2 462 1 ASP HB2 H 2.733 0.020 1 3 462 1 ASP HB3 H 2.830 0.020 1 4 462 1 ASP C C 176.470 0.300 1 5 462 1 ASP CA C 53.740 0.300 1 6 462 1 ASP CB C 41.949 0.300 1 7 463 2 ILE H H 8.582 0.020 1 8 463 2 ILE HA H 4.067 0.020 1 9 463 2 ILE HB H 1.973 0.020 1 10 463 2 ILE HG12 H 1.312 0.020 1 11 463 2 ILE HG13 H 1.528 0.020 1 12 463 2 ILE HG2 H 0.982 0.020 1 13 463 2 ILE HD1 H 0.936 0.020 1 14 463 2 ILE C C 176.905 0.300 1 15 463 2 ILE CA C 63.269 0.300 1 16 463 2 ILE CB C 38.369 0.300 1 17 463 2 ILE CG1 C 28.258 0.300 1 18 463 2 ILE CG2 C 17.870 0.300 1 19 463 2 ILE CD1 C 13.751 0.300 1 20 463 2 ILE N N 124.477 0.300 1 21 464 3 ARG H H 8.284 0.020 1 22 464 3 ARG HA H 4.003 0.020 1 23 464 3 ARG HB2 H 1.893 0.020 2 24 464 3 ARG HB3 H 1.893 0.020 2 25 464 3 ARG HG2 H 1.602 0.020 1 26 464 3 ARG HG3 H 1.717 0.020 1 27 464 3 ARG HD2 H 3.251 0.020 2 28 464 3 ARG HD3 H 3.251 0.020 2 29 464 3 ARG C C 178.292 0.300 1 30 464 3 ARG CA C 59.200 0.300 1 31 464 3 ARG CB C 29.648 0.300 1 32 464 3 ARG CG C 27.375 0.300 1 33 464 3 ARG CD C 43.457 0.300 1 34 464 3 ARG N N 121.849 0.300 1 35 465 4 HIS H H 8.073 0.020 1 36 465 4 HIS HA H 4.465 0.020 1 37 465 4 HIS HB2 H 3.271 0.020 2 38 465 4 HIS HB3 H 3.271 0.020 2 39 465 4 HIS HD2 H 7.214 0.020 1 40 465 4 HIS HE1 H 8.317 0.020 1 41 465 4 HIS C C 176.443 0.300 1 42 465 4 HIS CA C 58.794 0.300 1 43 465 4 HIS CB C 29.259 0.300 1 44 465 4 HIS CD2 C 120.122 0.300 1 45 465 4 HIS CE1 C 137.339 0.300 1 46 465 4 HIS N N 118.111 0.300 1 47 465 4 HIS ND1 N 192.735 0.300 1 48 465 4 HIS NE2 N 180.872 0.300 1 49 466 5 GLU H H 8.387 0.020 1 50 466 5 GLU HA H 3.839 0.020 1 51 466 5 GLU HB2 H 2.102 0.020 2 52 466 5 GLU HB3 H 2.102 0.020 2 53 466 5 GLU HG2 H 2.234 0.020 1 54 466 5 GLU HG3 H 2.382 0.020 1 55 466 5 GLU C C 177.696 0.300 1 56 466 5 GLU CA C 59.696 0.300 1 57 466 5 GLU CB C 29.371 0.300 1 58 466 5 GLU CG C 36.680 0.300 1 59 466 5 GLU N N 118.542 0.300 1 60 467 6 ARG H H 8.253 0.020 1 61 467 6 ARG HA H 3.960 0.020 1 62 467 6 ARG HB2 H 2.004 0.020 2 63 467 6 ARG HB3 H 2.004 0.020 2 64 467 6 ARG HG2 H 1.640 0.020 1 65 467 6 ARG HG3 H 1.835 0.020 1 66 467 6 ARG HD2 H 3.142 0.020 1 67 467 6 ARG HD3 H 3.249 0.020 1 68 467 6 ARG C C 177.448 0.300 1 69 467 6 ARG CA C 59.722 0.300 1 70 467 6 ARG CB C 30.208 0.300 1 71 467 6 ARG CG C 27.930 0.300 1 72 467 6 ARG CD C 43.826 0.300 1 73 467 6 ARG N N 118.212 0.300 1 74 468 7 ASN H H 8.100 0.020 1 75 468 7 ASN HA H 4.531 0.020 1 76 468 7 ASN HB2 H 2.853 0.020 1 77 468 7 ASN HB3 H 2.984 0.020 1 78 468 7 ASN HD21 H 7.028 0.020 1 79 468 7 ASN HD22 H 7.915 0.020 1 80 468 7 ASN C C 178.736 0.300 1 81 468 7 ASN CA C 56.282 0.300 1 82 468 7 ASN CB C 38.276 0.300 1 83 468 7 ASN CG C 175.992 0.300 1 84 468 7 ASN N N 117.062 0.300 1 85 468 7 ASN ND2 N 113.404 0.300 1 86 469 8 VAL H H 8.227 0.020 1 87 469 8 VAL HA H 3.574 0.020 1 88 469 8 VAL HB H 2.026 0.020 1 89 469 8 VAL HG1 H 0.704 0.020 2 90 469 8 VAL HG2 H 0.704 0.020 2 91 469 8 VAL C C 178.861 0.300 1 92 469 8 VAL CA C 67.003 0.300 1 93 469 8 VAL CB C 31.763 0.300 1 94 469 8 VAL CG1 C 22.539 0.300 1 95 469 8 VAL CG2 C 22.480 0.300 1 96 469 8 VAL N N 121.645 0.300 1 97 470 9 ILE H H 8.566 0.020 1 98 470 9 ILE HA H 3.643 0.020 1 99 470 9 ILE HB H 2.230 0.020 1 100 470 9 ILE HG12 H 1.379 0.020 1 101 470 9 ILE HG13 H 1.666 0.020 1 102 470 9 ILE HG2 H 1.106 0.020 1 103 470 9 ILE HD1 H 0.850 0.020 1 104 470 9 ILE C C 178.621 0.300 1 105 470 9 ILE CA C 64.784 0.300 1 106 470 9 ILE CB C 36.349 0.300 1 107 470 9 ILE CG1 C 28.886 0.300 1 108 470 9 ILE CG2 C 18.098 0.300 1 109 470 9 ILE CD1 C 12.516 0.300 1 110 470 9 ILE N N 121.209 0.300 1 111 471 10 LEU H H 8.672 0.020 1 112 471 10 LEU HA H 4.072 0.020 1 113 471 10 LEU HB2 H 1.649 0.020 1 114 471 10 LEU HB3 H 2.078 0.020 1 115 471 10 LEU HG H 2.011 0.020 1 116 471 10 LEU HD1 H 0.969 0.020 2 117 471 10 LEU HD2 H 0.978 0.020 2 118 471 10 LEU C C 180.043 0.300 1 119 471 10 LEU CA C 58.933 0.300 1 120 471 10 LEU CB C 40.969 0.300 1 121 471 10 LEU CG C 26.945 0.300 1 122 471 10 LEU CD1 C 23.643 0.300 1 123 471 10 LEU CD2 C 25.720 0.300 1 124 471 10 LEU N N 119.732 0.300 1 125 472 11 GLN H H 7.898 0.020 1 126 472 11 GLN HA H 4.181 0.020 1 127 472 11 GLN HB2 H 2.235 0.020 1 128 472 11 GLN HB3 H 2.346 0.020 1 129 472 11 GLN HG2 H 2.402 0.020 1 130 472 11 GLN HG3 H 2.714 0.020 1 131 472 11 GLN HE21 H 7.121 0.020 1 132 472 11 GLN HE22 H 7.434 0.020 1 133 472 11 GLN C C 179.723 0.300 1 134 472 11 GLN CA C 59.601 0.300 1 135 472 11 GLN CB C 29.772 0.300 1 136 472 11 GLN CG C 35.414 0.300 1 137 472 11 GLN CD C 179.870 0.300 1 138 472 11 GLN N N 118.640 0.300 1 139 472 11 GLN NE2 N 111.996 0.300 1 140 473 12 CYS H H 8.326 0.020 1 141 473 12 CYS HA H 4.069 0.020 1 142 473 12 CYS HB2 H 2.688 0.020 1 143 473 12 CYS HB3 H 3.520 0.020 1 144 473 12 CYS HG H 3.125 0.020 1 145 473 12 CYS C C 176.408 0.300 1 146 473 12 CYS CA C 64.358 0.300 1 147 473 12 CYS CB C 27.387 0.300 1 148 473 12 CYS N N 119.363 0.300 1 149 474 13 VAL H H 8.932 0.020 1 150 474 13 VAL HA H 3.481 0.020 1 151 474 13 VAL HB H 2.464 0.020 1 152 474 13 VAL HG1 H 1.095 0.020 2 153 474 13 VAL HG2 H 1.482 0.020 2 154 474 13 VAL C C 176.097 0.300 1 155 474 13 VAL CA C 67.722 0.300 1 156 474 13 VAL CB C 32.045 0.300 1 157 474 13 VAL CG1 C 23.177 0.300 1 158 474 13 VAL CG2 C 25.069 0.300 1 159 474 13 VAL N N 119.149 0.300 1 160 475 14 ARG H H 8.009 0.020 1 161 475 14 ARG HA H 3.946 0.020 1 162 475 14 ARG HB2 H 2.018 0.020 1 163 475 14 ARG HB3 H 2.089 0.020 1 164 475 14 ARG HG2 H 1.707 0.020 1 165 475 14 ARG HG3 H 1.801 0.020 1 166 475 14 ARG HD2 H 3.220 0.020 1 167 475 14 ARG HD3 H 3.406 0.020 1 168 475 14 ARG HE H 9.121 0.020 1 169 475 14 ARG C C 177.528 0.300 1 170 475 14 ARG CA C 59.517 0.300 1 171 475 14 ARG CB C 30.948 0.300 1 172 475 14 ARG CG C 26.272 0.300 1 173 475 14 ARG CD C 43.808 0.300 1 174 475 14 ARG N N 118.034 0.300 1 175 475 14 ARG NE N 86.706 0.300 1 176 476 15 TYR H H 7.791 0.020 1 177 476 15 TYR HA H 4.025 0.020 1 178 476 15 TYR HB2 H 3.045 0.020 1 179 476 15 TYR HB3 H 3.204 0.020 1 180 476 15 TYR HD1 H 7.035 0.020 1 181 476 15 TYR HD2 H 7.035 0.020 1 182 476 15 TYR HE1 H 6.822 0.020 1 183 476 15 TYR HE2 H 6.822 0.020 1 184 476 15 TYR C C 176.186 0.300 1 185 476 15 TYR CA C 62.031 0.300 1 186 476 15 TYR CB C 39.586 0.300 1 187 476 15 TYR CD1 C 133.040 0.300 1 188 476 15 TYR CE1 C 118.328 0.300 1 189 476 15 TYR N N 118.488 0.300 1 190 477 16 ILE H H 8.174 0.020 1 191 477 16 ILE HA H 2.757 0.020 1 192 477 16 ILE HB H 1.554 0.020 1 193 477 16 ILE HG12 H 1.155 0.020 1 194 477 16 ILE HG13 H 2.387 0.020 1 195 477 16 ILE HG2 H 0.373 0.020 1 196 477 16 ILE HD1 H 1.244 0.020 1 197 477 16 ILE C C 178.070 0.300 1 198 477 16 ILE CA C 65.524 0.300 1 199 477 16 ILE CB C 38.068 0.300 1 200 477 16 ILE CG1 C 29.485 0.300 1 201 477 16 ILE CG2 C 19.923 0.300 1 202 477 16 ILE CD1 C 15.703 0.300 1 203 477 16 ILE N N 117.087 0.300 1 204 478 17 ILE H H 7.866 0.020 1 205 478 17 ILE HA H 2.725 0.020 1 206 478 17 ILE HB H 1.640 0.020 1 207 478 17 ILE HG12 H 0.700 0.020 1 208 478 17 ILE HG13 H 1.391 0.020 1 209 478 17 ILE HG2 H 0.775 0.020 1 210 478 17 ILE HD1 H 0.695 0.020 1 211 478 17 ILE C C 180.345 0.300 1 212 478 17 ILE CA C 65.632 0.300 1 213 478 17 ILE CB C 37.615 0.300 1 214 478 17 ILE CG1 C 29.833 0.300 1 215 478 17 ILE CG2 C 17.129 0.300 1 216 478 17 ILE CD1 C 15.231 0.300 1 217 478 17 ILE N N 119.877 0.300 1 218 479 18 LYS H H 8.412 0.020 1 219 479 18 LYS HA H 4.005 0.020 1 220 479 18 LYS HB2 H 1.866 0.020 1 221 479 18 LYS HB3 H 1.920 0.020 1 222 479 18 LYS HG2 H 1.437 0.020 2 223 479 18 LYS HG3 H 1.437 0.020 2 224 479 18 LYS HD2 H 1.688 0.020 2 225 479 18 LYS HD3 H 1.688 0.020 2 226 479 18 LYS HE2 H 2.979 0.020 2 227 479 18 LYS HE3 H 2.979 0.020 2 228 479 18 LYS C C 178.283 0.300 1 229 479 18 LYS CA C 58.939 0.300 1 230 479 18 LYS CB C 31.328 0.300 1 231 479 18 LYS CG C 24.918 0.300 1 232 479 18 LYS CD C 29.188 0.300 1 233 479 18 LYS CE C 42.180 0.300 1 234 479 18 LYS N N 124.337 0.300 1 235 480 19 LYS H H 7.189 0.020 1 236 480 19 LYS HA H 4.209 0.020 1 237 480 19 LYS HB2 H 1.077 0.020 1 238 480 19 LYS HB3 H 1.766 0.020 1 239 480 19 LYS HG2 H 0.830 0.020 2 240 480 19 LYS HG3 H 0.830 0.020 2 241 480 19 LYS HD2 H 1.397 0.020 2 242 480 19 LYS HD3 H 1.397 0.020 2 243 480 19 LYS HE2 H 2.743 0.020 2 244 480 19 LYS HE3 H 2.743 0.020 2 245 480 19 LYS C C 176.914 0.300 1 246 480 19 LYS CA C 53.377 0.300 1 247 480 19 LYS CB C 29.839 0.300 1 248 480 19 LYS CG C 23.075 0.300 1 249 480 19 LYS CD C 27.330 0.300 1 250 480 19 LYS CE C 42.151 0.300 1 251 480 19 LYS N N 116.358 0.300 1 252 481 20 ASP H H 8.391 0.020 1 253 481 20 ASP HA H 4.341 0.020 1 254 481 20 ASP HB2 H 2.516 0.020 1 255 481 20 ASP HB3 H 2.995 0.020 1 256 481 20 ASP C C 177.030 0.300 1 257 481 20 ASP CA C 55.461 0.300 1 258 481 20 ASP CB C 39.167 0.300 1 259 481 20 ASP N N 122.754 0.300 1 260 482 21 PHE H H 8.289 0.020 1 261 482 21 PHE HA H 3.080 0.020 1 262 482 21 PHE HB2 H 3.113 0.020 1 263 482 21 PHE HB3 H 3.162 0.020 1 264 482 21 PHE HD1 H 7.017 0.020 1 265 482 21 PHE HD2 H 7.017 0.020 1 266 482 21 PHE HE1 H 7.413 0.020 1 267 482 21 PHE HE2 H 7.413 0.020 1 268 482 21 PHE C C 174.275 0.300 1 269 482 21 PHE CA C 59.220 0.300 1 270 482 21 PHE CB C 35.861 0.300 1 271 482 21 PHE CD1 C 132.595 0.300 1 272 482 21 PHE CE1 C 131.414 0.300 1 273 482 21 PHE N N 110.546 0.300 1 274 483 22 PHE H H 7.319 0.020 1 275 483 22 PHE HA H 4.339 0.020 1 276 483 22 PHE HB2 H 3.285 0.020 1 277 483 22 PHE HB3 H 3.528 0.020 1 278 483 22 PHE HD1 H 7.175 0.020 1 279 483 22 PHE HD2 H 7.175 0.020 1 280 483 22 PHE HE1 H 7.046 0.020 1 281 483 22 PHE HE2 H 7.046 0.020 1 282 483 22 PHE C C 176.212 0.300 1 283 483 22 PHE CA C 58.173 0.300 1 284 483 22 PHE CB C 36.036 0.300 1 285 483 22 PHE CD1 C 130.737 0.300 1 286 483 22 PHE CE1 C 128.299 0.300 1 287 483 22 PHE N N 109.338 0.300 1 288 484 23 GLY H H 7.819 0.020 1 289 484 23 GLY HA2 H 3.956 0.020 1 290 484 23 GLY HA3 H 4.259 0.020 1 291 484 23 GLY C C 175.492 0.300 1 292 484 23 GLY CA C 45.819 0.300 1 293 484 23 GLY N N 105.733 0.300 1 294 485 24 LEU H H 7.589 0.020 1 295 485 24 LEU HA H 4.267 0.020 1 296 485 24 LEU HB2 H 1.489 0.020 1 297 485 24 LEU HB3 H 1.872 0.020 1 298 485 24 LEU HG H 1.859 0.020 1 299 485 24 LEU HD1 H 0.910 0.020 2 300 485 24 LEU HD2 H 1.056 0.020 2 301 485 24 LEU C C 176.861 0.300 1 302 485 24 LEU CA C 55.557 0.300 1 303 485 24 LEU CB C 42.141 0.300 1 304 485 24 LEU CG C 26.978 0.300 1 305 485 24 LEU CD1 C 23.254 0.300 1 306 485 24 LEU CD2 C 26.320 0.300 1 307 485 24 LEU N N 119.851 0.300 1 308 486 25 ASP H H 8.378 0.020 1 309 486 25 ASP HA H 4.635 0.020 1 310 486 25 ASP HB2 H 2.360 0.020 1 311 486 25 ASP HB3 H 2.688 0.020 1 312 486 25 ASP C C 176.141 0.300 1 313 486 25 ASP CA C 53.581 0.300 1 314 486 25 ASP CB C 41.280 0.300 1 315 486 25 ASP N N 120.178 0.300 1 316 487 26 THR H H 8.032 0.020 1 317 487 26 THR HA H 4.289 0.020 1 318 487 26 THR HB H 4.298 0.020 1 319 487 26 THR HG2 H 1.119 0.020 1 320 487 26 THR C C 174.986 0.300 1 321 487 26 THR CA C 61.871 0.300 1 322 487 26 THR CB C 69.503 0.300 1 323 487 26 THR CG2 C 21.359 0.300 1 324 487 26 THR N N 113.746 0.300 1 325 488 27 ASN H H 8.509 0.020 1 326 488 27 ASN HA H 4.798 0.020 1 327 488 27 ASN HB2 H 2.826 0.020 1 328 488 27 ASN HB3 H 2.857 0.020 1 329 488 27 ASN HD21 H 6.965 0.020 1 330 488 27 ASN HD22 H 7.729 0.020 1 331 488 27 ASN C C 175.723 0.300 1 332 488 27 ASN CA C 53.679 0.300 1 333 488 27 ASN CB C 39.152 0.300 1 334 488 27 ASN CG C 177.172 0.300 1 335 488 27 ASN N N 120.420 0.300 1 336 488 27 ASN ND2 N 113.454 0.300 1 337 489 28 SER H H 8.322 0.020 1 338 489 28 SER HA H 4.375 0.020 1 339 489 28 SER HB2 H 3.859 0.020 2 340 489 28 SER HB3 H 3.859 0.020 2 341 489 28 SER C C 174.533 0.300 1 342 489 28 SER CA C 59.112 0.300 1 343 489 28 SER CB C 63.654 0.300 1 344 489 28 SER N N 116.805 0.300 1 345 490 29 ALA H H 8.350 0.020 1 346 490 29 ALA HA H 4.340 0.020 1 347 490 29 ALA HB H 1.408 0.020 1 348 490 29 ALA C C 177.723 0.300 1 349 490 29 ALA CA C 52.683 0.300 1 350 490 29 ALA CB C 19.170 0.300 1 351 490 29 ALA N N 125.465 0.300 1 352 491 30 LYS H H 8.143 0.020 1 353 491 30 LYS HA H 4.337 0.020 1 354 491 30 LYS HB2 H 1.786 0.020 1 355 491 30 LYS HB3 H 1.875 0.020 1 356 491 30 LYS HG2 H 1.466 0.020 2 357 491 30 LYS HG3 H 1.466 0.020 2 358 491 30 LYS HD2 H 1.698 0.020 2 359 491 30 LYS HD3 H 1.698 0.020 2 360 491 30 LYS HE2 H 3.021 0.020 2 361 491 30 LYS HE3 H 3.021 0.020 2 362 491 30 LYS C C 176.781 0.300 1 363 491 30 LYS CA C 56.276 0.300 1 364 491 30 LYS CB C 32.945 0.300 1 365 491 30 LYS CG C 24.687 0.300 1 366 491 30 LYS CD C 29.183 0.300 1 367 491 30 LYS CE C 42.169 0.300 1 368 491 30 LYS N N 120.176 0.300 1 369 492 31 SER H H 8.305 0.020 1 370 492 31 SER HA H 4.428 0.020 1 371 492 31 SER HB2 H 3.877 0.020 2 372 492 31 SER HB3 H 3.877 0.020 2 373 492 31 SER C C 174.488 0.300 1 374 492 31 SER CA C 58.497 0.300 1 375 492 31 SER CB C 63.871 0.300 1 376 492 31 SER N N 117.229 0.300 1 377 493 32 LYS H H 8.362 0.020 1 378 493 32 LYS HA H 4.383 0.020 1 379 493 32 LYS HB2 H 1.782 0.020 1 380 493 32 LYS HB3 H 1.889 0.020 1 381 493 32 LYS HG2 H 1.462 0.020 2 382 493 32 LYS HG3 H 1.462 0.020 2 383 493 32 LYS HD2 H 1.699 0.020 2 384 493 32 LYS HD3 H 1.699 0.020 2 385 493 32 LYS HE2 H 3.025 0.020 2 386 493 32 LYS HE3 H 3.025 0.020 2 387 493 32 LYS C C 176.106 0.300 1 388 493 32 LYS CA C 56.283 0.300 1 389 493 32 LYS CB C 33.069 0.300 1 390 493 32 LYS CG C 24.608 0.300 1 391 493 32 LYS CD C 29.156 0.300 1 392 493 32 LYS CE C 42.193 0.300 1 393 493 32 LYS N N 122.997 0.300 1 394 494 33 ASP H H 8.374 0.020 1 395 494 33 ASP HA H 4.650 0.020 1 396 494 33 ASP HB2 H 2.576 0.020 1 397 494 33 ASP HB3 H 2.754 0.020 1 398 494 33 ASP C C 175.155 0.300 1 399 494 33 ASP CA C 54.663 0.300 1 400 494 33 ASP CB C 41.089 0.300 1 401 494 33 ASP N N 122.108 0.300 1 402 495 34 VAL H H 7.626 0.020 1 403 495 34 VAL HA H 4.076 0.020 1 404 495 34 VAL HB H 2.104 0.020 1 405 495 34 VAL HG1 H 0.885 0.020 2 406 495 34 VAL HG2 H 0.908 0.020 2 407 495 34 VAL CA C 63.538 0.300 1 408 495 34 VAL CB C 33.318 0.300 1 409 495 34 VAL CG1 C 20.022 0.300 1 410 495 34 VAL CG2 C 21.599 0.300 1 411 495 34 VAL N N 123.363 0.300 1 stop_ save_