data_25599 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Sds3 in complex with Sin3A ; _BMRB_accession_number 25599 _BMRB_flat_file_name bmr25599.str _Entry_type original _Submission_date 2015-05-08 _Accession_date 2015-05-08 _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 Clark Michael . . 2 Radhakrishnan Ishwar . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 819 "13C chemical shifts" 631 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-24 update BMRB 'update entry citation' 2015-07-13 original author 'original release' stop_ _Original_release_date 2015-07-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Insights into the Assembly of the Histone Deacetylase-Associated Sin3L/Rpd3L Corepressor Complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26124119 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Clark Michael . . 2 Marcum Ryan . . 3 Graveline Richard . . 4 Chan Clarence W. . 5 Xie Tao . . 6 Chen Zhonglei . . 7 Ding Yujia . . 8 Zhang Yongbo . . 9 Mondragon Alfonso . . 10 David Gregory . . 11 Radhakrishnan Ishwar . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 112 _Journal_issue 28 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E3669 _Page_last E3678 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Sds3 in complex with Sin3A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Sds3SID $Sds3SID Sin3HID $Sin3HID 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_Sds3SID _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sds3SID _Molecular_mass 3125.556 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; SNAAQLNYLLTDEQIMEDLR TLNKLKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 202 SER 2 203 ASN 3 204 ALA 4 205 ALA 5 206 GLN 6 207 LEU 7 208 ASN 8 209 TYR 9 210 LEU 10 211 LEU 11 212 THR 12 213 ASP 13 214 GLU 14 215 GLN 15 216 ILE 16 217 MET 17 218 GLU 18 219 ASP 19 220 LEU 20 221 ARG 21 222 THR 22 223 LEU 23 224 ASN 24 225 LYS 25 226 LEU 26 227 LYS 27 228 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_Sin3HID _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sin3HID _Molecular_mass 14698.959 _Mol_thiol_state . _Details . _Residue_count 125 _Mol_residue_sequence ; SNAEHIYRCEDERFELDVVL ETNLATIRVLEAIQKKLSRL SAEEQAKFRLDNTLGGTSEV IHRKALQRIYADKAADIIDG LRKNPSIAVPIVLKRLKMKE EEWREAQRGFNKVWREQNEK YYLKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 605 SER 2 606 ASN 3 607 ALA 4 608 GLU 5 609 HIS 6 610 ILE 7 611 TYR 8 612 ARG 9 613 CYS 10 614 GLU 11 615 ASP 12 616 GLU 13 617 ARG 14 618 PHE 15 619 GLU 16 620 LEU 17 621 ASP 18 622 VAL 19 623 VAL 20 624 LEU 21 625 GLU 22 626 THR 23 627 ASN 24 628 LEU 25 629 ALA 26 630 THR 27 631 ILE 28 632 ARG 29 633 VAL 30 634 LEU 31 635 GLU 32 636 ALA 33 637 ILE 34 638 GLN 35 639 LYS 36 640 LYS 37 641 LEU 38 642 SER 39 643 ARG 40 644 LEU 41 645 SER 42 646 ALA 43 647 GLU 44 648 GLU 45 649 GLN 46 650 ALA 47 651 LYS 48 652 PHE 49 653 ARG 50 654 LEU 51 655 ASP 52 656 ASN 53 657 THR 54 658 LEU 55 659 GLY 56 660 GLY 57 661 THR 58 662 SER 59 663 GLU 60 664 VAL 61 665 ILE 62 666 HIS 63 667 ARG 64 668 LYS 65 669 ALA 66 670 LEU 67 671 GLN 68 672 ARG 69 673 ILE 70 674 TYR 71 675 ALA 72 676 ASP 73 677 LYS 74 678 ALA 75 679 ALA 76 680 ASP 77 681 ILE 78 682 ILE 79 683 ASP 80 684 GLY 81 685 LEU 82 686 ARG 83 687 LYS 84 688 ASN 85 689 PRO 86 690 SER 87 691 ILE 88 692 ALA 89 693 VAL 90 694 PRO 91 695 ILE 92 696 VAL 93 697 LEU 94 698 LYS 95 699 ARG 96 700 LEU 97 701 LYS 98 702 MET 99 703 LYS 100 704 GLU 101 705 GLU 102 706 GLU 103 707 TRP 104 708 ARG 105 709 GLU 106 710 ALA 107 711 GLN 108 712 ARG 109 713 GLY 110 714 PHE 111 715 ASN 112 716 LYS 113 717 VAL 114 718 TRP 115 719 ARG 116 720 GLU 117 721 GLN 118 722 ASN 119 723 GLU 120 724 LYS 121 725 TYR 122 726 TYR 123 727 LEU 124 728 LYS 125 729 SER 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 $Sds3SID 'house mouse' 10090 Eukaryota Metazoa Mus musculus $Sin3HID 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $Sds3SID 'recombinant technology' . Escherichia coli . pMCSG7 $Sin3HID 'recombinant technology' . Escherichia coli . pMCSG21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Sin3HID . mM 0.5 1 '[U-100% 13C; U-100% 15N]' $Sds3SID . mM 0.5 1 '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Sds3SID . mM 0.5 1 '[U-100% 13C; U-100% 15N]' $Sin3HID . mM 0.5 1 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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_2 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.12 . M pH 6.7 . 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 '3D 1H-13C NOESY' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Sin3HID _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 1 605 1 SER HA H 4.08 0.03 1 2 605 1 SER HB3 H 3.96 0.03 2 3 605 1 SER CA C 57.52 0.20 1 4 605 1 SER CB C 63.77 0.20 1 5 606 2 ASN HA H 4.75 0.03 1 6 606 2 ASN HB2 H 2.78 0.03 2 7 606 2 ASN HB3 H 2.85 0.03 2 8 606 2 ASN HD21 H 7.58 0.03 2 9 606 2 ASN HD22 H 6.92 0.03 2 10 606 2 ASN C C 174.95 0.20 1 11 606 2 ASN CA C 53.45 0.20 1 12 606 2 ASN CB C 39.02 0.20 1 13 606 2 ASN ND2 N 112.71 0.30 1 14 607 3 ALA H H 8.33 0.03 1 15 607 3 ALA HA H 4.27 0.03 1 16 607 3 ALA HB H 1.36 0.03 1 17 607 3 ALA C C 177.54 0.20 1 18 607 3 ALA CA C 52.85 0.20 1 19 607 3 ALA CB C 19.20 0.20 1 20 607 3 ALA N N 124.02 0.30 1 21 608 4 GLU H H 8.22 0.03 1 22 608 4 GLU HA H 4.19 0.03 1 23 608 4 GLU HB2 H 1.91 0.03 2 24 608 4 GLU HB3 H 1.95 0.03 2 25 608 4 GLU HG2 H 2.21 0.03 2 26 608 4 GLU HG3 H 2.21 0.03 2 27 608 4 GLU C C 176.31 0.20 1 28 608 4 GLU CA C 56.88 0.20 1 29 608 4 GLU CB C 30.37 0.20 1 30 608 4 GLU CG C 36.55 0.20 1 31 608 4 GLU N N 118.86 0.30 1 32 609 5 HIS H H 8.20 0.03 1 33 609 5 HIS HA H 4.59 0.03 1 34 609 5 HIS HB3 H 3.06 0.03 2 35 609 5 HIS HD2 H 6.93 0.03 1 36 609 5 HIS HE1 H 8.11 0.03 1 37 609 5 HIS C C 174.67 0.20 1 38 609 5 HIS CA C 55.85 0.20 1 39 609 5 HIS CB C 30.19 0.20 1 40 609 5 HIS CD2 C 119.62 0.20 1 41 609 5 HIS CE1 C 137.69 0.20 1 42 609 5 HIS N N 119.50 0.30 1 43 610 6 ILE H H 7.84 0.03 1 44 610 6 ILE HA H 4.08 0.03 1 45 610 6 ILE HB H 1.72 0.03 1 46 610 6 ILE HG12 H 1.04 0.03 2 47 610 6 ILE HG13 H 1.28 0.03 2 48 610 6 ILE HG2 H 0.76 0.03 1 49 610 6 ILE HD1 H 0.77 0.03 1 50 610 6 ILE C C 175.61 0.20 1 51 610 6 ILE CA C 61.14 0.20 1 52 610 6 ILE CB C 38.87 0.20 1 53 610 6 ILE CG1 C 27.33 0.20 1 54 610 6 ILE CG2 C 17.46 0.20 1 55 610 6 ILE CD1 C 12.97 0.20 1 56 610 6 ILE N N 121.37 0.30 1 57 611 7 TYR H H 8.18 0.03 1 58 611 7 TYR HA H 4.56 0.03 1 59 611 7 TYR HB2 H 2.91 0.03 2 60 611 7 TYR HB3 H 3.00 0.03 2 61 611 7 TYR HD1 H 7.08 0.03 3 62 611 7 TYR C C 175.43 0.20 1 63 611 7 TYR CA C 57.85 0.20 1 64 611 7 TYR CB C 38.94 0.20 1 65 611 7 TYR CD1 C 133.43 0.20 1 66 611 7 TYR N N 123.85 0.30 1 67 612 8 ARG H H 8.16 0.03 1 68 612 8 ARG HA H 4.33 0.03 1 69 612 8 ARG HB2 H 1.68 0.03 2 70 612 8 ARG HB3 H 1.80 0.03 2 71 612 8 ARG HG3 H 1.53 0.03 2 72 612 8 ARG HD3 H 3.12 0.03 2 73 612 8 ARG C C 175.72 0.20 1 74 612 8 ARG CA C 55.85 0.20 1 75 612 8 ARG CB C 31.27 0.20 1 76 612 8 ARG CG C 27.30 0.20 1 77 612 8 ARG CD C 43.50 0.20 1 78 612 8 ARG N N 123.11 0.30 1 79 613 9 CYS H H 8.31 0.03 1 80 613 9 CYS HA H 4.35 0.03 1 81 613 9 CYS HB3 H 2.89 0.03 2 82 613 9 CYS C C 174.90 0.20 1 83 613 9 CYS CA C 58.84 0.20 1 84 613 9 CYS CB C 27.93 0.20 1 85 613 9 CYS N N 120.18 0.30 1 86 614 10 GLU H H 8.68 0.03 1 87 614 10 GLU HA H 4.14 0.03 1 88 614 10 GLU HB2 H 1.94 0.03 2 89 614 10 GLU HB3 H 2.02 0.03 2 90 614 10 GLU HG3 H 2.24 0.03 2 91 614 10 GLU C C 176.48 0.20 1 92 614 10 GLU CA C 57.64 0.20 1 93 614 10 GLU CB C 29.80 0.20 1 94 614 10 GLU CG C 36.60 0.20 1 95 614 10 GLU N N 122.68 0.30 1 96 615 11 ASP H H 8.10 0.03 1 97 615 11 ASP HA H 4.53 0.03 1 98 615 11 ASP HB2 H 2.65 0.03 2 99 615 11 ASP HB3 H 2.74 0.03 2 100 615 11 ASP C C 176.95 0.20 1 101 615 11 ASP CA C 55.10 0.20 1 102 615 11 ASP CB C 41.35 0.20 1 103 615 11 ASP N N 119.94 0.30 1 104 616 12 GLU H H 8.37 0.03 1 105 616 12 GLU HA H 4.14 0.03 1 106 616 12 GLU HB2 H 1.93 0.03 2 107 616 12 GLU HB3 H 2.00 0.03 2 108 616 12 GLU HG3 H 2.24 0.03 2 109 616 12 GLU C C 176.88 0.20 1 110 616 12 GLU CA C 57.89 0.20 1 111 616 12 GLU CB C 30.03 0.20 1 112 616 12 GLU CG C 36.49 0.20 1 113 616 12 GLU N N 121.42 0.30 1 114 617 13 ARG H H 7.99 0.03 1 115 617 13 ARG HA H 3.93 0.03 1 116 617 13 ARG HB2 H 1.49 0.03 2 117 617 13 ARG HB3 H 1.57 0.03 2 118 617 13 ARG HG3 H 1.34 0.03 2 119 617 13 ARG HD3 H 2.92 0.03 2 120 617 13 ARG C C 177.06 0.20 1 121 617 13 ARG CA C 57.59 0.20 1 122 617 13 ARG CB C 30.29 0.20 1 123 617 13 ARG CG C 27.00 0.20 1 124 617 13 ARG CD C 43.41 0.20 1 125 617 13 ARG N N 119.86 0.30 1 126 618 14 PHE H H 7.98 0.03 1 127 618 14 PHE HA H 4.50 0.03 1 128 618 14 PHE HB2 H 3.04 0.03 2 129 618 14 PHE HB3 H 3.20 0.03 2 130 618 14 PHE HD2 H 7.24 0.03 3 131 618 14 PHE C C 176.85 0.20 1 132 618 14 PHE CA C 58.86 0.20 1 133 618 14 PHE CB C 39.13 0.20 1 134 618 14 PHE CD2 C 131.73 0.20 1 135 618 14 PHE N N 119.82 0.30 1 136 619 15 GLU H H 8.11 0.03 1 137 619 15 GLU HA H 4.01 0.03 1 138 619 15 GLU HB3 H 2.02 0.03 2 139 619 15 GLU HG3 H 2.17 0.03 2 140 619 15 GLU C C 179.35 0.20 1 141 619 15 GLU CA C 58.59 0.20 1 142 619 15 GLU CB C 29.87 0.20 1 143 619 15 GLU CG C 36.18 0.20 1 144 619 15 GLU N N 120.87 0.30 1 145 620 16 LEU H H 7.80 0.03 1 146 620 16 LEU HA H 3.94 0.03 1 147 620 16 LEU HB2 H 1.56 0.03 2 148 620 16 LEU HB3 H 1.72 0.03 2 149 620 16 LEU HG H 1.62 0.03 1 150 620 16 LEU HD1 H 0.93 0.03 2 151 620 16 LEU HD2 H 0.84 0.03 2 152 620 16 LEU C C 177.69 0.20 1 153 620 16 LEU CA C 57.55 0.20 1 154 620 16 LEU CB C 41.75 0.20 1 155 620 16 LEU CG C 27.64 0.20 1 156 620 16 LEU CD1 C 25.59 0.20 2 157 620 16 LEU CD2 C 23.86 0.20 2 158 620 16 LEU N N 119.28 0.30 1 159 621 17 ASP H H 7.79 0.03 1 160 621 17 ASP HA H 4.34 0.03 1 161 621 17 ASP HB2 H 2.65 0.03 2 162 621 17 ASP HB3 H 2.82 0.03 2 163 621 17 ASP C C 179.04 0.20 1 164 621 17 ASP CA C 57.88 0.20 1 165 621 17 ASP CB C 40.30 0.20 1 166 621 17 ASP N N 117.51 0.30 1 167 622 18 VAL H H 7.51 0.03 1 168 622 18 VAL HA H 3.73 0.03 1 169 622 18 VAL HB H 2.10 0.03 1 170 622 18 VAL HG1 H 0.86 0.03 2 171 622 18 VAL HG2 H 0.87 0.03 2 172 622 18 VAL C C 179.26 0.20 1 173 622 18 VAL CA C 65.90 0.20 1 174 622 18 VAL CB C 31.94 0.20 1 175 622 18 VAL CG1 C 21.09 0.20 2 176 622 18 VAL CG2 C 22.55 0.20 2 177 622 18 VAL N N 120.21 0.30 1 178 623 19 VAL H H 8.15 0.03 1 179 623 19 VAL HA H 3.28 0.03 1 180 623 19 VAL HB H 1.92 0.03 1 181 623 19 VAL HG1 H 0.50 0.03 2 182 623 19 VAL HG2 H 0.03 0.03 2 183 623 19 VAL C C 179.39 0.20 1 184 623 19 VAL CA C 66.86 0.20 1 185 623 19 VAL CB C 31.42 0.20 1 186 623 19 VAL CG1 C 21.95 0.20 2 187 623 19 VAL CG2 C 20.87 0.20 2 188 623 19 VAL N N 124.03 0.30 1 189 624 20 LEU H H 8.54 0.03 1 190 624 20 LEU HA H 4.19 0.03 1 191 624 20 LEU HB2 H 1.61 0.03 2 192 624 20 LEU HB3 H 2.10 0.03 2 193 624 20 LEU HG H 1.78 0.03 1 194 624 20 LEU HD1 H 1.30 0.03 2 195 624 20 LEU HD2 H 0.92 0.03 2 196 624 20 LEU C C 179.57 0.20 1 197 624 20 LEU CA C 58.63 0.20 1 198 624 20 LEU CB C 42.23 0.20 1 199 624 20 LEU CG C 28.68 0.20 1 200 624 20 LEU CD1 C 25.59 0.20 2 201 624 20 LEU CD2 C 26.09 0.20 2 202 624 20 LEU N N 120.70 0.30 1 203 625 21 GLU H H 8.14 0.03 1 204 625 21 GLU HA H 4.15 0.03 1 205 625 21 GLU HB2 H 2.17 0.03 2 206 625 21 GLU HB3 H 2.21 0.03 2 207 625 21 GLU HG2 H 2.35 0.03 2 208 625 21 GLU HG3 H 2.40 0.03 2 209 625 21 GLU C C 179.67 0.20 1 210 625 21 GLU CA C 59.73 0.20 1 211 625 21 GLU CB C 29.95 0.20 1 212 625 21 GLU CG C 36.17 0.20 1 213 625 21 GLU N N 120.38 0.30 1 214 626 22 THR H H 8.38 0.03 1 215 626 22 THR HA H 3.98 0.03 1 216 626 22 THR HB H 4.27 0.03 1 217 626 22 THR HG2 H 1.31 0.03 1 218 626 22 THR C C 176.24 0.20 1 219 626 22 THR CA C 66.14 0.20 1 220 626 22 THR CB C 69.30 0.20 1 221 626 22 THR CG2 C 22.44 0.20 1 222 626 22 THR N N 115.97 0.30 1 223 627 23 ASN H H 8.31 0.03 1 224 627 23 ASN HA H 4.46 0.03 1 225 627 23 ASN HB2 H 2.92 0.03 2 226 627 23 ASN HB3 H 3.33 0.03 2 227 627 23 ASN HD21 H 8.19 0.03 2 228 627 23 ASN HD22 H 6.49 0.03 2 229 627 23 ASN C C 177.09 0.20 1 230 627 23 ASN CA C 58.12 0.20 1 231 627 23 ASN CB C 40.52 0.20 1 232 627 23 ASN N N 123.10 0.30 1 233 627 23 ASN ND2 N 111.76 0.30 1 234 628 24 LEU H H 8.38 0.03 1 235 628 24 LEU HA H 4.15 0.03 1 236 628 24 LEU HB3 H 1.89 0.03 2 237 628 24 LEU HG H 1.67 0.03 1 238 628 24 LEU HD1 H 0.99 0.03 2 239 628 24 LEU HD2 H 0.95 0.03 2 240 628 24 LEU C C 178.49 0.20 1 241 628 24 LEU CA C 57.80 0.20 1 242 628 24 LEU CB C 41.91 0.20 1 243 628 24 LEU CD1 C 23.43 0.20 2 244 628 24 LEU CD2 C 25.57 0.20 2 245 628 24 LEU N N 119.93 0.30 1 246 629 25 ALA H H 8.04 0.03 1 247 629 25 ALA HA H 4.16 0.03 1 248 629 25 ALA HB H 1.66 0.03 1 249 629 25 ALA C C 180.92 0.20 1 250 629 25 ALA CA C 55.21 0.20 1 251 629 25 ALA CB C 18.07 0.20 1 252 629 25 ALA N N 120.32 0.30 1 253 630 26 THR H H 7.64 0.03 1 254 630 26 THR HA H 4.04 0.03 1 255 630 26 THR HB H 4.26 0.03 1 256 630 26 THR HG2 H 1.19 0.03 1 257 630 26 THR C C 176.02 0.20 1 258 630 26 THR CA C 67.20 0.20 1 259 630 26 THR CB C 67.89 0.20 1 260 630 26 THR CG2 C 22.01 0.20 1 261 630 26 THR N N 115.72 0.30 1 262 631 27 ILE H H 8.53 0.03 1 263 631 27 ILE HA H 3.38 0.03 1 264 631 27 ILE HB H 2.21 0.03 1 265 631 27 ILE HG12 H 0.67 0.03 2 266 631 27 ILE HG13 H 1.91 0.03 2 267 631 27 ILE HG2 H 0.83 0.03 1 268 631 27 ILE HD1 H 0.75 0.03 1 269 631 27 ILE C C 177.51 0.20 1 270 631 27 ILE CA C 66.97 0.20 1 271 631 27 ILE CB C 37.97 0.20 1 272 631 27 ILE CG1 C 32.33 0.20 1 273 631 27 ILE CG2 C 17.14 0.20 1 274 631 27 ILE CD1 C 13.79 0.20 1 275 631 27 ILE N N 123.75 0.30 1 276 632 28 ARG H H 8.39 0.03 1 277 632 28 ARG HA H 4.12 0.03 1 278 632 28 ARG HB2 H 1.90 0.03 2 279 632 28 ARG HB3 H 2.02 0.03 2 280 632 28 ARG HG2 H 1.75 0.03 2 281 632 28 ARG HG3 H 1.91 0.03 2 282 632 28 ARG HD2 H 3.18 0.03 2 283 632 28 ARG HD3 H 3.26 0.03 2 284 632 28 ARG C C 180.38 0.20 1 285 632 28 ARG CA C 59.69 0.20 1 286 632 28 ARG CB C 30.06 0.20 1 287 632 28 ARG CG C 28.15 0.20 1 288 632 28 ARG CD C 43.57 0.20 1 289 632 28 ARG N N 116.32 0.30 1 290 633 29 VAL H H 7.45 0.03 1 291 633 29 VAL HA H 3.90 0.03 1 292 633 29 VAL HB H 2.10 0.03 1 293 633 29 VAL HG1 H 1.12 0.03 2 294 633 29 VAL HG2 H 0.85 0.03 2 295 633 29 VAL C C 178.34 0.20 1 296 633 29 VAL CA C 66.19 0.20 1 297 633 29 VAL CB C 32.10 0.20 1 298 633 29 VAL CG1 C 23.24 0.20 2 299 633 29 VAL CG2 C 21.29 0.20 2 300 633 29 VAL N N 119.55 0.30 1 301 634 30 LEU H H 8.15 0.03 1 302 634 30 LEU HA H 4.10 0.03 1 303 634 30 LEU HB2 H 1.39 0.03 2 304 634 30 LEU HB3 H 2.06 0.03 2 305 634 30 LEU HG H 1.90 0.03 1 306 634 30 LEU HD1 H 0.84 0.03 2 307 634 30 LEU HD2 H 0.86 0.03 2 308 634 30 LEU C C 179.28 0.20 1 309 634 30 LEU CA C 58.10 0.20 1 310 634 30 LEU CB C 41.41 0.20 1 311 634 30 LEU CG C 28.03 0.20 1 312 634 30 LEU CD1 C 26.79 0.20 2 313 634 30 LEU CD2 C 23.37 0.20 2 314 634 30 LEU N N 120.02 0.30 1 315 635 31 GLU H H 9.33 0.03 1 316 635 31 GLU HA H 3.91 0.03 1 317 635 31 GLU HB2 H 1.92 0.03 2 318 635 31 GLU HB3 H 2.23 0.03 2 319 635 31 GLU HG2 H 2.15 0.03 2 320 635 31 GLU HG3 H 2.59 0.03 2 321 635 31 GLU C C 179.59 0.20 1 322 635 31 GLU CA C 59.92 0.20 1 323 635 31 GLU CB C 29.86 0.20 1 324 635 31 GLU CG C 38.49 0.20 1 325 635 31 GLU N N 120.09 0.30 1 326 636 32 ALA H H 7.61 0.03 1 327 636 32 ALA HA H 4.21 0.03 1 328 636 32 ALA HB H 1.62 0.03 1 329 636 32 ALA C C 181.21 0.20 1 330 636 32 ALA CA C 55.23 0.20 1 331 636 32 ALA CB C 17.82 0.20 1 332 636 32 ALA N N 122.11 0.30 1 333 637 33 ILE H H 7.82 0.03 1 334 637 33 ILE HA H 3.73 0.03 1 335 637 33 ILE HB H 2.12 0.03 1 336 637 33 ILE HG12 H 1.32 0.03 2 337 637 33 ILE HG13 H 1.93 0.03 2 338 637 33 ILE HG2 H 0.98 0.03 1 339 637 33 ILE HD1 H 0.93 0.03 1 340 637 33 ILE C C 177.53 0.20 1 341 637 33 ILE CA C 64.69 0.20 1 342 637 33 ILE CB C 37.72 0.20 1 343 637 33 ILE CG1 C 28.62 0.20 1 344 637 33 ILE CG2 C 18.88 0.20 1 345 637 33 ILE CD1 C 13.54 0.20 1 346 637 33 ILE N N 120.12 0.30 1 347 638 34 GLN H H 8.66 0.03 1 348 638 34 GLN HA H 3.94 0.03 1 349 638 34 GLN HB2 H 2.01 0.03 2 350 638 34 GLN HB3 H 2.22 0.03 2 351 638 34 GLN HG3 H 2.25 0.03 2 352 638 34 GLN HE21 H 7.18 0.03 2 353 638 34 GLN HE22 H 6.54 0.03 2 354 638 34 GLN C C 178.34 0.20 1 355 638 34 GLN CA C 59.32 0.20 1 356 638 34 GLN CB C 28.64 0.20 1 357 638 34 GLN CG C 34.01 0.20 1 358 638 34 GLN N N 120.52 0.30 1 359 638 34 GLN NE2 N 108.95 0.30 1 360 639 35 LYS H H 7.99 0.03 1 361 639 35 LYS HA H 3.99 0.03 1 362 639 35 LYS HB3 H 1.90 0.03 2 363 639 35 LYS HG2 H 1.44 0.03 2 364 639 35 LYS HG3 H 1.57 0.03 2 365 639 35 LYS HD2 H 1.57 0.03 2 366 639 35 LYS HD3 H 1.64 0.03 2 367 639 35 LYS C C 179.39 0.20 1 368 639 35 LYS CA C 59.47 0.20 1 369 639 35 LYS CB C 32.27 0.20 1 370 639 35 LYS CG C 25.35 0.20 1 371 639 35 LYS CD C 29.26 0.20 1 372 639 35 LYS CE C 42.16 0.20 1 373 639 35 LYS N N 118.82 0.30 1 374 640 36 LYS H H 7.48 0.03 1 375 640 36 LYS HA H 3.98 0.03 1 376 640 36 LYS HB3 H 1.91 0.03 2 377 640 36 LYS HG2 H 1.27 0.03 2 378 640 36 LYS HG3 H 1.41 0.03 2 379 640 36 LYS HD3 H 1.71 0.03 2 380 640 36 LYS HE2 H 2.74 0.03 2 381 640 36 LYS HE3 H 2.89 0.03 2 382 640 36 LYS C C 179.33 0.20 1 383 640 36 LYS CA C 59.60 0.20 1 384 640 36 LYS CB C 32.34 0.20 1 385 640 36 LYS CG C 25.31 0.20 1 386 640 36 LYS CD C 29.58 0.20 1 387 640 36 LYS CE C 42.42 0.20 1 388 640 36 LYS N N 119.81 0.30 1 389 641 37 LEU H H 8.37 0.03 1 390 641 37 LEU HA H 3.58 0.03 1 391 641 37 LEU HB2 H 1.28 0.03 2 392 641 37 LEU HB3 H 1.79 0.03 2 393 641 37 LEU HG H 1.37 0.03 1 394 641 37 LEU HD1 H 0.63 0.03 2 395 641 37 LEU HD2 H 0.46 0.03 2 396 641 37 LEU C C 179.03 0.20 1 397 641 37 LEU CA C 57.91 0.20 1 398 641 37 LEU CB C 42.20 0.20 1 399 641 37 LEU CG C 27.10 0.20 1 400 641 37 LEU CD1 C 25.76 0.20 2 401 641 37 LEU CD2 C 23.98 0.20 2 402 641 37 LEU N N 118.49 0.30 1 403 642 38 SER H H 7.86 0.03 1 404 642 38 SER HA H 4.13 0.03 1 405 642 38 SER HB2 H 3.96 0.03 2 406 642 38 SER HB3 H 4.00 0.03 2 407 642 38 SER C C 174.88 0.20 1 408 642 38 SER CA C 61.10 0.20 1 409 642 38 SER CB C 63.30 0.20 1 410 642 38 SER N N 111.09 0.30 1 411 643 39 ARG H H 7.10 0.03 1 412 643 39 ARG HA H 4.41 0.03 1 413 643 39 ARG HB2 H 1.78 0.03 2 414 643 39 ARG HB3 H 2.07 0.03 2 415 643 39 ARG HG2 H 1.70 0.03 2 416 643 39 ARG HG3 H 1.77 0.03 2 417 643 39 ARG HD3 H 3.20 0.03 2 418 643 39 ARG C C 176.13 0.20 1 419 643 39 ARG CA C 55.87 0.20 1 420 643 39 ARG CB C 30.78 0.20 1 421 643 39 ARG CG C 27.46 0.20 1 422 643 39 ARG CD C 43.43 0.20 1 423 643 39 ARG N N 118.43 0.30 1 424 644 40 LEU H H 7.43 0.03 1 425 644 40 LEU HA H 4.61 0.03 1 426 644 40 LEU HB2 H 1.61 0.03 2 427 644 40 LEU HB3 H 1.94 0.03 2 428 644 40 LEU HG H 1.90 0.03 1 429 644 40 LEU HD1 H 0.82 0.03 2 430 644 40 LEU HD2 H 0.67 0.03 2 431 644 40 LEU C C 177.36 0.20 1 432 644 40 LEU CA C 53.76 0.20 1 433 644 40 LEU CB C 43.66 0.20 1 434 644 40 LEU CG C 26.21 0.20 1 435 644 40 LEU CD1 C 22.17 0.20 2 436 644 40 LEU CD2 C 26.07 0.20 2 437 644 40 LEU N N 120.42 0.30 1 438 645 41 SER H H 8.82 0.03 1 439 645 41 SER HA H 4.44 0.03 1 440 645 41 SER HB2 H 4.10 0.03 2 441 645 41 SER HB3 H 4.37 0.03 2 442 645 41 SER C C 174.93 0.20 1 443 645 41 SER CA C 57.63 0.20 1 444 645 41 SER CB C 64.92 0.20 1 445 645 41 SER N N 117.54 0.30 1 446 646 42 ALA H H 9.01 0.03 1 447 646 42 ALA HA H 3.98 0.03 1 448 646 42 ALA HB H 1.48 0.03 1 449 646 42 ALA C C 180.95 0.20 1 450 646 42 ALA CA C 56.06 0.20 1 451 646 42 ALA CB C 17.99 0.20 1 452 646 42 ALA N N 124.29 0.30 1 453 647 43 GLU H H 8.78 0.03 1 454 647 43 GLU HA H 4.08 0.03 1 455 647 43 GLU HB2 H 1.96 0.03 2 456 647 43 GLU HB3 H 2.09 0.03 2 457 647 43 GLU HG3 H 2.33 0.03 2 458 647 43 GLU C C 179.16 0.20 1 459 647 43 GLU CA C 59.82 0.20 1 460 647 43 GLU CB C 29.49 0.20 1 461 647 43 GLU CG C 36.69 0.20 1 462 647 43 GLU N N 117.50 0.30 1 463 648 44 GLU H H 7.59 0.03 1 464 648 44 GLU HA H 4.08 0.03 1 465 648 44 GLU HB2 H 2.13 0.03 2 466 648 44 GLU HB3 H 2.32 0.03 2 467 648 44 GLU HG2 H 2.27 0.03 2 468 648 44 GLU HG3 H 2.44 0.03 2 469 648 44 GLU C C 180.54 0.20 1 470 648 44 GLU CA C 58.86 0.20 1 471 648 44 GLU CB C 30.99 0.20 1 472 648 44 GLU CG C 37.49 0.20 1 473 648 44 GLU N N 118.59 0.30 1 474 649 45 GLN H H 9.03 0.03 1 475 649 45 GLN HA H 3.79 0.03 1 476 649 45 GLN HB2 H 2.05 0.03 2 477 649 45 GLN HB3 H 2.24 0.03 2 478 649 45 GLN HG2 H 2.23 0.03 2 479 649 45 GLN HG3 H 2.67 0.03 2 480 649 45 GLN HE21 H 7.10 0.03 2 481 649 45 GLN HE22 H 6.69 0.03 2 482 649 45 GLN C C 178.26 0.20 1 483 649 45 GLN CA C 60.09 0.20 1 484 649 45 GLN CB C 28.42 0.20 1 485 649 45 GLN CG C 35.58 0.20 1 486 649 45 GLN N N 120.38 0.30 1 487 649 45 GLN NE2 N 111.53 0.30 1 488 650 46 ALA H H 7.47 0.03 1 489 650 46 ALA HA H 4.26 0.03 1 490 650 46 ALA HB H 1.56 0.03 1 491 650 46 ALA C C 178.61 0.20 1 492 650 46 ALA CA C 54.38 0.20 1 493 650 46 ALA CB C 18.42 0.20 1 494 650 46 ALA N N 118.33 0.30 1 495 651 47 LYS H H 7.12 0.03 1 496 651 47 LYS HA H 4.40 0.03 1 497 651 47 LYS HB2 H 1.82 0.03 2 498 651 47 LYS HB3 H 2.04 0.03 2 499 651 47 LYS HG2 H 1.52 0.03 2 500 651 47 LYS HG3 H 1.63 0.03 2 501 651 47 LYS HD3 H 1.70 0.03 2 502 651 47 LYS HE3 H 2.98 0.03 2 503 651 47 LYS C C 175.79 0.20 1 504 651 47 LYS CA C 55.91 0.20 1 505 651 47 LYS CB C 33.95 0.20 1 506 651 47 LYS CG C 25.06 0.20 1 507 651 47 LYS CD C 29.41 0.20 1 508 651 47 LYS CE C 42.19 0.20 1 509 651 47 LYS N N 114.11 0.30 1 510 652 48 PHE H H 7.38 0.03 1 511 652 48 PHE HA H 4.30 0.03 1 512 652 48 PHE HB2 H 3.01 0.03 2 513 652 48 PHE HB3 H 3.18 0.03 2 514 652 48 PHE HD2 H 7.10 0.03 3 515 652 48 PHE HE2 H 7.19 0.03 3 516 652 48 PHE C C 174.47 0.20 1 517 652 48 PHE CA C 59.62 0.20 1 518 652 48 PHE CB C 40.21 0.20 1 519 652 48 PHE CD2 C 132.28 0.20 1 520 652 48 PHE N N 122.90 0.30 1 521 653 49 ARG H H 7.62 0.03 1 522 653 49 ARG HA H 4.57 0.03 1 523 653 49 ARG HB2 H 1.61 0.03 2 524 653 49 ARG HB3 H 1.86 0.03 2 525 653 49 ARG HG3 H 1.69 0.03 2 526 653 49 ARG HD2 H 3.20 0.03 2 527 653 49 ARG HD3 H 3.33 0.03 2 528 653 49 ARG C C 174.88 0.20 1 529 653 49 ARG CA C 53.95 0.20 1 530 653 49 ARG CB C 33.76 0.20 1 531 653 49 ARG CG C 26.87 0.20 1 532 653 49 ARG CD C 43.55 0.20 1 533 653 49 ARG N N 108.94 0.30 1 534 654 50 LEU H H 8.52 0.03 1 535 654 50 LEU HA H 4.51 0.03 1 536 654 50 LEU HB2 H 1.64 0.03 2 537 654 50 LEU HB3 H 1.74 0.03 2 538 654 50 LEU HG H 1.84 0.03 1 539 654 50 LEU HD1 H 0.92 0.03 2 540 654 50 LEU HD2 H 0.88 0.03 2 541 654 50 LEU C C 176.70 0.20 1 542 654 50 LEU CA C 53.97 0.20 1 543 654 50 LEU CB C 43.15 0.20 1 544 654 50 LEU CD1 C 24.09 0.20 2 545 654 50 LEU CD2 C 25.98 0.20 2 546 654 50 LEU N N 119.29 0.30 1 547 655 51 ASP H H 8.08 0.03 1 548 655 51 ASP HA H 4.52 0.03 1 549 655 51 ASP HB2 H 2.65 0.03 2 550 655 51 ASP HB3 H 2.81 0.03 2 551 655 51 ASP C C 179.27 0.20 1 552 655 51 ASP CA C 55.02 0.20 1 553 655 51 ASP CB C 41.29 0.20 1 554 655 51 ASP N N 119.92 0.30 1 555 656 52 ASN HA H 4.54 0.03 1 556 656 52 ASN HB3 H 2.83 0.03 2 557 656 52 ASN HD21 H 7.58 0.03 2 558 656 52 ASN HD22 H 6.85 0.03 2 559 656 52 ASN C C 176.05 0.20 1 560 656 52 ASN CA C 54.64 0.20 1 561 656 52 ASN CB C 38.50 0.20 1 562 656 52 ASN ND2 N 112.31 0.30 1 563 657 53 THR H H 8.04 0.03 1 564 657 53 THR HA H 4.22 0.03 1 565 657 53 THR HB H 4.15 0.03 1 566 657 53 THR HG2 H 1.18 0.03 1 567 657 53 THR C C 175.03 0.20 1 568 657 53 THR CA C 63.31 0.20 1 569 657 53 THR CB C 69.74 0.20 1 570 657 53 THR CG2 C 22.00 0.20 1 571 657 53 THR N N 112.13 0.30 1 572 658 54 LEU H H 8.28 0.03 1 573 658 54 LEU HA H 4.09 0.03 1 574 658 54 LEU HB2 H 1.56 0.03 2 575 658 54 LEU HB3 H 1.75 0.03 2 576 658 54 LEU HG H 1.51 0.03 1 577 658 54 LEU HD1 H 0.73 0.03 2 578 658 54 LEU HD2 H 0.72 0.03 2 579 658 54 LEU C C 175.80 0.20 1 580 658 54 LEU CA C 55.58 0.20 1 581 658 54 LEU CB C 40.97 0.20 1 582 658 54 LEU CG C 27.26 0.20 1 583 658 54 LEU CD1 C 23.67 0.20 2 584 658 54 LEU CD2 C 25.63 0.20 2 585 658 54 LEU N N 120.14 0.30 1 586 659 55 GLY H H 8.12 0.03 1 587 659 55 GLY HA3 H 3.98 0.03 2 588 659 55 GLY C C 175.03 0.20 1 589 659 55 GLY CA C 45.09 0.20 1 590 659 55 GLY N N 106.03 0.30 1 591 660 56 GLY H H 8.25 0.03 1 592 660 56 GLY HA3 H 4.12 0.03 2 593 660 56 GLY CA C 45.30 0.20 1 594 660 56 GLY N N 108.66 0.30 1 595 661 57 THR HA H 4.31 0.03 1 596 661 57 THR HB H 4.33 0.03 1 597 661 57 THR HG2 H 1.26 0.03 1 598 661 57 THR C C 175.57 0.20 1 599 661 57 THR CA C 63.26 0.20 1 600 661 57 THR CB C 69.36 0.20 1 601 661 57 THR CG2 C 22.09 0.20 1 602 662 58 SER H H 8.13 0.03 1 603 662 58 SER HA H 4.51 0.03 1 604 662 58 SER HB2 H 3.80 0.03 2 605 662 58 SER HB3 H 3.96 0.03 2 606 662 58 SER C C 174.46 0.20 1 607 662 58 SER CA C 58.53 0.20 1 608 662 58 SER CB C 63.75 0.20 1 609 662 58 SER N N 115.44 0.30 1 610 663 59 GLU H H 8.27 0.03 1 611 663 59 GLU HA H 4.17 0.03 1 612 663 59 GLU HB3 H 2.06 0.03 2 613 663 59 GLU HG3 H 2.29 0.03 2 614 663 59 GLU C C 177.13 0.20 1 615 663 59 GLU CA C 58.42 0.20 1 616 663 59 GLU CB C 30.05 0.20 1 617 663 59 GLU CG C 36.34 0.20 1 618 663 59 GLU N N 123.12 0.30 1 619 664 60 VAL H H 7.81 0.03 1 620 664 60 VAL HA H 3.75 0.03 1 621 664 60 VAL HB H 2.06 0.03 1 622 664 60 VAL HG1 H 0.98 0.03 2 623 664 60 VAL HG2 H 0.88 0.03 2 624 664 60 VAL C C 177.27 0.20 1 625 664 60 VAL CA C 65.13 0.20 1 626 664 60 VAL CB C 32.35 0.20 1 627 664 60 VAL CG1 C 21.57 0.20 2 628 664 60 VAL CG2 C 21.18 0.20 2 629 664 60 VAL N N 117.35 0.30 1 630 665 61 ILE H H 7.49 0.03 1 631 665 61 ILE HA H 3.73 0.03 1 632 665 61 ILE HB H 1.66 0.03 1 633 665 61 ILE HG12 H 1.11 0.03 2 634 665 61 ILE HG13 H 1.41 0.03 2 635 665 61 ILE HG2 H 0.75 0.03 1 636 665 61 ILE HD1 H 0.81 0.03 1 637 665 61 ILE C C 176.69 0.20 1 638 665 61 ILE CA C 63.87 0.20 1 639 665 61 ILE CB C 37.94 0.20 1 640 665 61 ILE CG1 C 28.33 0.20 1 641 665 61 ILE CG2 C 17.41 0.20 1 642 665 61 ILE CD1 C 13.05 0.20 1 643 665 61 ILE N N 119.11 0.30 1 644 666 62 HIS H H 7.15 0.03 1 645 666 62 HIS HA H 4.76 0.03 1 646 666 62 HIS HB2 H 3.04 0.03 2 647 666 62 HIS HB3 H 3.09 0.03 2 648 666 62 HIS HD2 H 7.05 0.03 1 649 666 62 HIS HE1 H 7.54 0.03 1 650 666 62 HIS CA C 57.60 0.20 1 651 666 62 HIS CB C 29.91 0.20 1 652 666 62 HIS CD2 C 119.66 0.20 1 653 666 62 HIS CE1 C 138.22 0.20 1 654 667 63 ARG HA H 3.88 0.03 1 655 667 63 ARG HB3 H 1.89 0.03 2 656 667 63 ARG HG2 H 1.49 0.03 2 657 667 63 ARG HG3 H 1.64 0.03 2 658 667 63 ARG HD3 H 3.20 0.03 2 659 667 63 ARG C C 178.68 0.20 1 660 667 63 ARG CA C 60.27 0.20 1 661 667 63 ARG CB C 30.04 0.20 1 662 667 63 ARG CG C 28.19 0.20 1 663 667 63 ARG CD C 43.55 0.20 1 664 668 64 LYS H H 8.10 0.03 1 665 668 64 LYS HA H 4.06 0.03 1 666 668 64 LYS HB2 H 1.83 0.03 2 667 668 64 LYS HB3 H 1.98 0.03 2 668 668 64 LYS HG2 H 1.44 0.03 2 669 668 64 LYS HG3 H 1.59 0.03 2 670 668 64 LYS HD3 H 1.64 0.03 2 671 668 64 LYS HE3 H 2.89 0.03 2 672 668 64 LYS C C 179.59 0.20 1 673 668 64 LYS CA C 59.53 0.20 1 674 668 64 LYS CB C 32.20 0.20 1 675 668 64 LYS CG C 25.53 0.20 1 676 668 64 LYS CD C 29.40 0.20 1 677 668 64 LYS CE C 42.13 0.20 1 678 668 64 LYS N N 118.52 0.30 1 679 669 65 ALA H H 8.05 0.03 1 680 669 65 ALA HA H 4.17 0.03 1 681 669 65 ALA HB H 1.68 0.03 1 682 669 65 ALA C C 180.29 0.20 1 683 669 65 ALA CA C 55.03 0.20 1 684 669 65 ALA CB C 19.23 0.20 1 685 669 65 ALA N N 121.56 0.30 1 686 670 66 LEU H H 7.87 0.03 1 687 670 66 LEU HA H 4.52 0.03 1 688 670 66 LEU HB2 H 1.44 0.03 2 689 670 66 LEU HB3 H 2.10 0.03 2 690 670 66 LEU HG H 2.09 0.03 1 691 670 66 LEU HD1 H 0.98 0.03 2 692 670 66 LEU HD2 H 0.85 0.03 2 693 670 66 LEU C C 179.62 0.20 1 694 670 66 LEU CA C 57.16 0.20 1 695 670 66 LEU CB C 41.91 0.20 1 696 670 66 LEU CG C 27.93 0.20 1 697 670 66 LEU CD1 C 24.09 0.20 2 698 670 66 LEU CD2 C 26.08 0.20 2 699 670 66 LEU N N 115.17 0.30 1 700 671 67 GLN H H 9.00 0.03 1 701 671 67 GLN HA H 4.15 0.03 1 702 671 67 GLN HB2 H 2.08 0.03 2 703 671 67 GLN HB3 H 2.22 0.03 2 704 671 67 GLN HG3 H 2.45 0.03 2 705 671 67 GLN HE21 H 7.46 0.03 2 706 671 67 GLN HE22 H 6.75 0.03 2 707 671 67 GLN C C 178.85 0.20 1 708 671 67 GLN CA C 59.01 0.20 1 709 671 67 GLN CB C 28.36 0.20 1 710 671 67 GLN CG C 34.27 0.20 1 711 671 67 GLN N N 121.91 0.30 1 712 671 67 GLN NE2 N 110.43 0.30 1 713 672 68 ARG H H 7.73 0.03 1 714 672 68 ARG HA H 3.97 0.03 1 715 672 68 ARG HB3 H 2.04 0.03 2 716 672 68 ARG HG2 H 1.60 0.03 2 717 672 68 ARG HG3 H 1.66 0.03 2 718 672 68 ARG HD2 H 2.65 0.03 2 719 672 68 ARG HD3 H 2.68 0.03 2 720 672 68 ARG C C 175.45 0.20 1 721 672 68 ARG CA C 58.14 0.20 1 722 672 68 ARG CB C 29.37 0.20 1 723 672 68 ARG CD C 42.45 0.20 1 724 672 68 ARG N N 117.89 0.30 1 725 673 69 ILE H H 6.54 0.03 1 726 673 69 ILE HA H 5.19 0.03 1 727 673 69 ILE HB H 1.82 0.03 1 728 673 69 ILE HG12 H 1.34 0.03 2 729 673 69 ILE HG13 H 1.42 0.03 2 730 673 69 ILE HG2 H 1.22 0.03 1 731 673 69 ILE HD1 H 0.68 0.03 1 732 673 69 ILE C C 175.82 0.20 1 733 673 69 ILE CA C 61.65 0.20 1 734 673 69 ILE CB C 39.48 0.20 1 735 673 69 ILE CG1 C 26.34 0.20 1 736 673 69 ILE CG2 C 18.48 0.20 1 737 673 69 ILE CD1 C 15.26 0.20 1 738 673 69 ILE N N 120.03 0.30 1 739 674 70 TYR H H 8.31 0.03 1 740 674 70 TYR HA H 4.67 0.03 1 741 674 70 TYR HB2 H 2.54 0.03 2 742 674 70 TYR HB3 H 2.87 0.03 2 743 674 70 TYR HD1 H 7.11 0.03 3 744 674 70 TYR HE1 H 6.71 0.03 3 745 674 70 TYR C C 176.37 0.20 1 746 674 70 TYR CA C 60.00 0.20 1 747 674 70 TYR CB C 39.85 0.20 1 748 674 70 TYR CD1 C 133.23 0.20 1 749 674 70 TYR CE1 C 118.24 0.20 1 750 674 70 TYR N N 116.03 0.30 1 751 675 71 ALA H H 8.22 0.03 1 752 675 71 ALA HA H 4.29 0.03 1 753 675 71 ALA HB H 1.69 0.03 1 754 675 71 ALA C C 177.92 0.20 1 755 675 71 ALA CA C 53.59 0.20 1 756 675 71 ALA CB C 17.93 0.20 1 757 675 71 ALA N N 124.05 0.30 1 758 676 72 ASP H H 8.62 0.03 1 759 676 72 ASP HA H 4.55 0.03 1 760 676 72 ASP HB3 H 2.86 0.03 2 761 676 72 ASP C C 177.43 0.20 1 762 676 72 ASP CA C 56.34 0.20 1 763 676 72 ASP CB C 39.85 0.20 1 764 676 72 ASP N N 120.81 0.30 1 765 677 73 LYS H H 7.90 0.03 1 766 677 73 LYS HA H 4.71 0.03 1 767 677 73 LYS HB3 H 2.12 0.03 2 768 677 73 LYS HG2 H 1.58 0.03 2 769 677 73 LYS HG3 H 1.69 0.03 2 770 677 73 LYS HD2 H 1.64 0.03 2 771 677 73 LYS HD3 H 1.72 0.03 2 772 677 73 LYS HE3 H 2.96 0.03 2 773 677 73 LYS C C 176.59 0.20 1 774 677 73 LYS CA C 55.13 0.20 1 775 677 73 LYS CB C 30.87 0.20 1 776 677 73 LYS CG C 25.23 0.20 1 777 677 73 LYS CD C 28.02 0.20 1 778 677 73 LYS CE C 42.47 0.20 1 779 677 73 LYS N N 116.80 0.30 1 780 678 74 ALA H H 8.19 0.03 1 781 678 74 ALA HA H 3.52 0.03 1 782 678 74 ALA HB H 1.44 0.03 1 783 678 74 ALA C C 178.49 0.20 1 784 678 74 ALA CA C 55.56 0.20 1 785 678 74 ALA CB C 18.06 0.20 1 786 678 74 ALA N N 122.70 0.30 1 787 679 75 ALA H H 7.85 0.03 1 788 679 75 ALA HA H 3.96 0.03 1 789 679 75 ALA HB H 1.47 0.03 1 790 679 75 ALA C C 179.74 0.20 1 791 679 75 ALA CA C 55.67 0.20 1 792 679 75 ALA CB C 18.00 0.20 1 793 679 75 ALA N N 117.77 0.30 1 794 680 76 ASP H H 7.57 0.03 1 795 680 76 ASP HA H 4.36 0.03 1 796 680 76 ASP HB2 H 2.39 0.03 2 797 680 76 ASP HB3 H 2.70 0.03 2 798 680 76 ASP C C 178.67 0.20 1 799 680 76 ASP CA C 57.01 0.20 1 800 680 76 ASP CB C 41.34 0.20 1 801 680 76 ASP N N 118.16 0.30 1 802 681 77 ILE H H 7.39 0.03 1 803 681 77 ILE HA H 3.47 0.03 1 804 681 77 ILE HB H 1.79 0.03 1 805 681 77 ILE HG12 H -0.51 0.03 2 806 681 77 ILE HG13 H 1.05 0.03 2 807 681 77 ILE HG2 H 0.52 0.03 1 808 681 77 ILE HD1 H 0.20 0.03 1 809 681 77 ILE C C 177.90 0.20 1 810 681 77 ILE CA C 61.65 0.20 1 811 681 77 ILE CB C 34.84 0.20 1 812 681 77 ILE CG1 C 24.64 0.20 1 813 681 77 ILE CG2 C 17.92 0.20 1 814 681 77 ILE CD1 C 8.83 0.20 1 815 681 77 ILE N N 121.04 0.30 1 816 682 78 ILE H H 8.62 0.03 1 817 682 78 ILE HA H 3.52 0.03 1 818 682 78 ILE HB H 1.85 0.03 1 819 682 78 ILE HG12 H 0.85 0.03 2 820 682 78 ILE HG13 H 1.74 0.03 2 821 682 78 ILE HG2 H 0.91 0.03 1 822 682 78 ILE HD1 H 0.85 0.03 1 823 682 78 ILE C C 177.28 0.20 1 824 682 78 ILE CA C 65.94 0.20 1 825 682 78 ILE CB C 37.76 0.20 1 826 682 78 ILE CG1 C 31.70 0.20 1 827 682 78 ILE CG2 C 17.38 0.20 1 828 682 78 ILE CD1 C 13.31 0.20 1 829 682 78 ILE N N 120.52 0.30 1 830 683 79 ASP H H 7.75 0.03 1 831 683 79 ASP HA H 4.41 0.03 1 832 683 79 ASP HB2 H 2.64 0.03 2 833 683 79 ASP HB3 H 2.77 0.03 2 834 683 79 ASP C C 178.36 0.20 1 835 683 79 ASP CA C 58.08 0.20 1 836 683 79 ASP CB C 41.75 0.20 1 837 683 79 ASP N N 119.11 0.30 1 838 684 80 GLY H H 7.80 0.03 1 839 684 80 GLY HA2 H 3.49 0.03 2 840 684 80 GLY HA3 H 3.96 0.03 2 841 684 80 GLY C C 175.11 0.20 1 842 684 80 GLY CA C 47.38 0.20 1 843 684 80 GLY N N 122.23 0.30 1 844 685 81 LEU H H 8.46 0.03 1 845 685 81 LEU HA H 3.71 0.03 1 846 685 81 LEU HB2 H 1.25 0.03 2 847 685 81 LEU HB3 H 2.07 0.03 2 848 685 81 LEU HG H 1.62 0.03 1 849 685 81 LEU HD1 H 0.81 0.03 2 850 685 81 LEU HD2 H 0.73 0.03 2 851 685 81 LEU C C 176.13 0.20 1 852 685 81 LEU CA C 58.58 0.20 1 853 685 81 LEU CB C 42.45 0.20 1 854 685 81 LEU CG C 27.06 0.20 1 855 685 81 LEU CD1 C 26.75 0.20 2 856 685 81 LEU CD2 C 25.02 0.20 2 857 685 81 LEU N N 122.11 0.30 1 858 686 82 ARG H H 7.76 0.03 1 859 686 82 ARG HA H 4.00 0.03 1 860 686 82 ARG HB3 H 1.91 0.03 2 861 686 82 ARG HG2 H 1.45 0.03 2 862 686 82 ARG HG3 H 1.64 0.03 2 863 686 82 ARG HD3 H 3.16 0.03 2 864 686 82 ARG C C 179.24 0.20 1 865 686 82 ARG CA C 59.41 0.20 1 866 686 82 ARG CB C 30.90 0.20 1 867 686 82 ARG CD C 43.87 0.20 1 868 686 82 ARG N N 112.01 0.30 1 869 687 83 LYS H H 8.05 0.03 1 870 687 83 LYS HA H 4.22 0.03 1 871 687 83 LYS HB3 H 1.84 0.03 2 872 687 83 LYS HG2 H 1.44 0.03 2 873 687 83 LYS HG3 H 1.56 0.03 2 874 687 83 LYS HD3 H 1.66 0.03 2 875 687 83 LYS HE3 H 2.98 0.03 2 876 687 83 LYS C C 176.80 0.20 1 877 687 83 LYS CA C 58.15 0.20 1 878 687 83 LYS CB C 34.22 0.20 1 879 687 83 LYS CG C 26.19 0.20 1 880 687 83 LYS CD C 29.09 0.20 1 881 687 83 LYS CE C 42.26 0.20 1 882 687 83 LYS N N 115.46 0.30 1 883 688 84 ASN H H 8.42 0.03 1 884 688 84 ASN HA H 5.36 0.03 1 885 688 84 ASN HB2 H 2.53 0.03 2 886 688 84 ASN HB3 H 3.03 0.03 2 887 688 84 ASN HD21 H 7.67 0.03 2 888 688 84 ASN HD22 H 6.74 0.03 2 889 688 84 ASN C C 172.75 0.20 1 890 688 84 ASN CA C 51.31 0.20 1 891 688 84 ASN CB C 40.12 0.20 1 892 688 84 ASN N N 114.76 0.30 1 893 688 84 ASN ND2 N 110.90 0.30 1 894 689 85 PRO HA H 4.40 0.03 1 895 689 85 PRO HB2 H 1.78 0.03 2 896 689 85 PRO HB3 H 2.88 0.03 2 897 689 85 PRO HG2 H 2.01 0.03 2 898 689 85 PRO HG3 H 2.15 0.03 2 899 689 85 PRO HD2 H 3.65 0.03 2 900 689 85 PRO HD3 H 3.90 0.03 2 901 689 85 PRO C C 177.77 0.20 1 902 689 85 PRO CA C 66.36 0.20 1 903 689 85 PRO CB C 31.02 0.20 1 904 689 85 PRO CD C 50.83 0.20 1 905 690 86 SER H H 8.72 0.03 1 906 690 86 SER HA H 4.05 0.03 1 907 690 86 SER HB2 H 3.82 0.03 2 908 690 86 SER HB3 H 3.94 0.03 2 909 690 86 SER C C 175.38 0.20 1 910 690 86 SER CA C 61.92 0.20 1 911 690 86 SER CB C 62.19 0.20 1 912 690 86 SER N N 111.21 0.30 1 913 691 87 ILE H H 6.96 0.03 1 914 691 87 ILE HA H 4.21 0.03 1 915 691 87 ILE HB H 1.80 0.03 1 916 691 87 ILE HG12 H 1.34 0.03 2 917 691 87 ILE HG13 H 1.54 0.03 2 918 691 87 ILE HG2 H 0.88 0.03 1 919 691 87 ILE HD1 H 0.83 0.03 1 920 691 87 ILE C C 177.57 0.20 1 921 691 87 ILE CA C 60.90 0.20 1 922 691 87 ILE CB C 39.03 0.20 1 923 691 87 ILE CG1 C 27.71 0.20 1 924 691 87 ILE CG2 C 18.06 0.20 1 925 691 87 ILE CD1 C 11.83 0.20 1 926 691 87 ILE N N 117.81 0.30 1 927 692 88 ALA H H 8.37 0.03 1 928 692 88 ALA HA H 4.05 0.03 1 929 692 88 ALA HB H 1.25 0.03 1 930 692 88 ALA C C 178.21 0.20 1 931 692 88 ALA CA C 55.07 0.20 1 932 692 88 ALA CB C 21.47 0.20 1 933 692 88 ALA N N 119.63 0.30 1 934 693 89 VAL H H 9.08 0.03 1 935 693 89 VAL HA H 3.57 0.03 1 936 693 89 VAL HB H 2.42 0.03 1 937 693 89 VAL HG1 H 1.03 0.03 2 938 693 89 VAL HG2 H 0.86 0.03 2 939 693 89 VAL C C 174.92 0.20 1 940 693 89 VAL CA C 69.36 0.20 1 941 693 89 VAL CB C 28.69 0.20 1 942 693 89 VAL CG1 C 25.28 0.20 2 943 693 89 VAL CG2 C 22.10 0.20 2 944 693 89 VAL N N 116.15 0.30 1 945 694 90 PRO HA H 4.20 0.03 1 946 694 90 PRO HB2 H 1.88 0.03 2 947 694 90 PRO HB3 H 2.32 0.03 2 948 694 90 PRO HG2 H 2.00 0.03 2 949 694 90 PRO HG3 H 2.16 0.03 2 950 694 90 PRO HD2 H 3.43 0.03 2 951 694 90 PRO HD3 H 3.58 0.03 2 952 694 90 PRO C C 179.74 0.20 1 953 694 90 PRO CA C 66.02 0.20 1 954 694 90 PRO CB C 31.24 0.20 1 955 694 90 PRO CG C 28.40 0.20 1 956 694 90 PRO CD C 49.70 0.20 1 957 695 91 ILE H H 6.51 0.03 1 958 695 91 ILE HA H 3.78 0.03 1 959 695 91 ILE HB H 2.02 0.03 1 960 695 91 ILE HG12 H 1.34 0.03 2 961 695 91 ILE HG13 H 1.74 0.03 2 962 695 91 ILE HG2 H 0.91 0.03 1 963 695 91 ILE HD1 H 0.88 0.03 1 964 695 91 ILE C C 177.60 0.20 1 965 695 91 ILE CA C 64.37 0.20 1 966 695 91 ILE CB C 38.66 0.20 1 967 695 91 ILE CG1 C 28.45 0.20 1 968 695 91 ILE CG2 C 16.68 0.20 1 969 695 91 ILE CD1 C 14.10 0.20 1 970 695 91 ILE N N 115.54 0.30 1 971 696 92 VAL H H 8.14 0.03 1 972 696 92 VAL HA H 3.77 0.03 1 973 696 92 VAL HB H 1.98 0.03 1 974 696 92 VAL HG1 H 1.04 0.03 2 975 696 92 VAL HG2 H 0.99 0.03 2 976 696 92 VAL C C 178.41 0.20 1 977 696 92 VAL CA C 66.27 0.20 1 978 696 92 VAL CB C 32.12 0.20 1 979 696 92 VAL CG1 C 23.54 0.20 2 980 696 92 VAL CG2 C 23.14 0.20 2 981 696 92 VAL N N 119.74 0.30 1 982 697 93 LEU H H 8.74 0.03 1 983 697 93 LEU HA H 3.92 0.03 1 984 697 93 LEU HB3 H 1.67 0.03 2 985 697 93 LEU HG H 1.62 0.03 1 986 697 93 LEU HD1 H 0.91 0.03 2 987 697 93 LEU HD2 H 0.85 0.03 2 988 697 93 LEU C C 178.02 0.20 1 989 697 93 LEU CA C 58.73 0.20 1 990 697 93 LEU CB C 42.75 0.20 1 991 697 93 LEU CD1 C 25.50 0.20 2 992 697 93 LEU CD2 C 25.91 0.20 2 993 697 93 LEU N N 119.68 0.30 1 994 698 94 LYS H H 7.35 0.03 1 995 698 94 LYS HA H 3.96 0.03 1 996 698 94 LYS HB3 H 1.96 0.03 2 997 698 94 LYS HG3 H 1.38 0.03 2 998 698 94 LYS HD3 H 1.69 0.03 2 999 698 94 LYS HE3 H 2.98 0.03 2 1000 698 94 LYS C C 179.71 0.20 1 1001 698 94 LYS CA C 59.81 0.20 1 1002 698 94 LYS CB C 32.11 0.20 1 1003 698 94 LYS CG C 25.25 0.20 1 1004 698 94 LYS CD C 29.43 0.20 1 1005 698 94 LYS CE C 41.99 0.20 1 1006 698 94 LYS N N 115.97 0.30 1 1007 699 95 ARG H H 7.46 0.03 1 1008 699 95 ARG HA H 3.92 0.03 1 1009 699 95 ARG HB3 H 2.31 0.03 2 1010 699 95 ARG HG3 H 1.67 0.03 2 1011 699 95 ARG HD2 H 2.79 0.03 2 1012 699 95 ARG HD3 H 3.11 0.03 2 1013 699 95 ARG C C 178.66 0.20 1 1014 699 95 ARG CA C 57.16 0.20 1 1015 699 95 ARG CB C 30.03 0.20 1 1016 699 95 ARG CD C 42.90 0.20 1 1017 699 95 ARG N N 115.57 0.30 1 1018 700 96 LEU H H 8.50 0.03 1 1019 700 96 LEU HA H 3.97 0.03 1 1020 700 96 LEU HB2 H 1.68 0.03 2 1021 700 96 LEU HB3 H 1.76 0.03 2 1022 700 96 LEU HG H 2.02 0.03 1 1023 700 96 LEU HD1 H 0.97 0.03 2 1024 700 96 LEU HD2 H 0.82 0.03 2 1025 700 96 LEU C C 180.94 0.20 1 1026 700 96 LEU CA C 58.38 0.20 1 1027 700 96 LEU CB C 41.52 0.20 1 1028 700 96 LEU CG C 27.03 0.20 1 1029 700 96 LEU CD1 C 22.47 0.20 2 1030 700 96 LEU CD2 C 28.20 0.20 2 1031 700 96 LEU N N 117.56 0.30 1 1032 701 97 LYS H H 8.42 0.03 1 1033 701 97 LYS HA H 3.96 0.03 1 1034 701 97 LYS HB3 H 1.87 0.03 2 1035 701 97 LYS HG3 H 1.36 0.03 2 1036 701 97 LYS HD3 H 1.56 0.03 2 1037 701 97 LYS HE3 H 2.86 0.03 2 1038 701 97 LYS C C 179.06 0.20 1 1039 701 97 LYS CA C 59.78 0.20 1 1040 701 97 LYS CB C 32.25 0.20 1 1041 701 97 LYS CG C 25.48 0.20 1 1042 701 97 LYS CD C 28.96 0.20 1 1043 701 97 LYS CE C 42.20 0.20 1 1044 701 97 LYS N N 118.49 0.30 1 1045 702 98 MET H H 7.87 0.03 1 1046 702 98 MET HA H 4.14 0.03 1 1047 702 98 MET HB3 H 2.20 0.03 2 1048 702 98 MET HG2 H 2.52 0.03 2 1049 702 98 MET HG3 H 2.73 0.03 2 1050 702 98 MET HE H 2.06 0.03 1 1051 702 98 MET C C 179.43 0.20 1 1052 702 98 MET CA C 59.04 0.20 1 1053 702 98 MET CB C 32.61 0.20 1 1054 702 98 MET CG C 31.96 0.20 1 1055 702 98 MET CE C 17.26 0.20 1 1056 702 98 MET N N 120.68 0.30 1 1057 703 99 LYS HA H 3.40 0.03 1 1058 703 99 LYS HB2 H 1.19 0.03 2 1059 703 99 LYS HB3 H 1.28 0.03 2 1060 703 99 LYS HG3 H 1.40 0.03 2 1061 703 99 LYS HE2 H 2.75 0.03 2 1062 703 99 LYS HE3 H 2.89 0.03 2 1063 703 99 LYS C C 176.46 0.20 1 1064 703 99 LYS CA C 56.39 0.20 1 1065 703 99 LYS CB C 28.87 0.20 1 1066 703 99 LYS CG C 27.34 0.20 1 1067 703 99 LYS CE C 42.45 0.20 1 1068 704 100 GLU H H 7.75 0.03 1 1069 704 100 GLU HA H 3.81 0.03 1 1070 704 100 GLU HB3 H 1.90 0.03 2 1071 704 100 GLU HG3 H 2.19 0.03 2 1072 704 100 GLU C C 177.63 0.20 1 1073 704 100 GLU CA C 59.80 0.20 1 1074 704 100 GLU CB C 29.06 0.20 1 1075 704 100 GLU CG C 35.83 0.20 1 1076 704 100 GLU N N 118.27 0.30 1 1077 705 101 GLU H H 7.30 0.03 1 1078 705 101 GLU HA H 4.02 0.03 1 1079 705 101 GLU HB3 H 2.10 0.03 2 1080 705 101 GLU HG2 H 2.29 0.03 2 1081 705 101 GLU HG3 H 2.43 0.03 2 1082 705 101 GLU C C 179.21 0.20 1 1083 705 101 GLU CA C 59.50 0.20 1 1084 705 101 GLU CB C 29.47 0.20 1 1085 705 101 GLU CG C 36.40 0.20 1 1086 705 101 GLU N N 115.68 0.30 1 1087 706 102 GLU H H 7.62 0.03 1 1088 706 102 GLU HA H 4.02 0.03 1 1089 706 102 GLU HB2 H 1.93 0.03 2 1090 706 102 GLU HB3 H 2.01 0.03 2 1091 706 102 GLU HG2 H 2.15 0.03 2 1092 706 102 GLU HG3 H 2.42 0.03 2 1093 706 102 GLU C C 180.15 0.20 1 1094 706 102 GLU CA C 59.46 0.20 1 1095 706 102 GLU CB C 30.06 0.20 1 1096 706 102 GLU CG C 36.33 0.20 1 1097 706 102 GLU N N 120.40 0.30 1 1098 707 103 TRP H H 9.22 0.03 1 1099 707 103 TRP HA H 4.71 0.03 1 1100 707 103 TRP HB2 H 3.08 0.03 2 1101 707 103 TRP HB3 H 3.53 0.03 2 1102 707 103 TRP HD1 H 6.97 0.03 1 1103 707 103 TRP HE1 H 9.81 0.03 1 1104 707 103 TRP HE3 H 7.20 0.03 1 1105 707 103 TRP HZ2 H 7.96 0.03 1 1106 707 103 TRP HZ3 H 6.69 0.03 1 1107 707 103 TRP HH2 H 7.11 0.03 1 1108 707 103 TRP C C 178.90 0.20 1 1109 707 103 TRP CA C 57.71 0.20 1 1110 707 103 TRP CB C 28.99 0.20 1 1111 707 103 TRP CD1 C 123.17 0.20 1 1112 707 103 TRP CE3 C 120.16 0.20 1 1113 707 103 TRP CZ2 C 114.12 0.20 1 1114 707 103 TRP CZ3 C 122.25 0.20 1 1115 707 103 TRP CH2 C 124.71 0.20 1 1116 707 103 TRP N N 122.11 0.30 1 1117 707 103 TRP NE1 N 125.21 0.30 1 1118 708 104 ARG H H 8.96 0.03 1 1119 708 104 ARG HA H 4.14 0.03 1 1120 708 104 ARG HB2 H 1.91 0.03 2 1121 708 104 ARG HB3 H 2.16 0.03 2 1122 708 104 ARG HG2 H 1.83 0.03 2 1123 708 104 ARG HG3 H 1.99 0.03 2 1124 708 104 ARG HD2 H 3.21 0.03 2 1125 708 104 ARG HD3 H 3.29 0.03 2 1126 708 104 ARG C C 179.68 0.20 1 1127 708 104 ARG CA C 59.33 0.20 1 1128 708 104 ARG CB C 29.47 0.20 1 1129 708 104 ARG CG C 28.24 0.20 1 1130 708 104 ARG CD C 43.02 0.20 1 1131 708 104 ARG N N 119.90 0.30 1 1132 709 105 GLU H H 7.78 0.03 1 1133 709 105 GLU HA H 4.17 0.03 1 1134 709 105 GLU HB3 H 2.19 0.03 2 1135 709 105 GLU HG3 H 2.36 0.03 2 1136 709 105 GLU C C 179.15 0.20 1 1137 709 105 GLU CA C 59.14 0.20 1 1138 709 105 GLU CB C 29.12 0.20 1 1139 709 105 GLU CG C 36.08 0.20 1 1140 709 105 GLU N N 119.62 0.30 1 1141 710 106 ALA H H 7.95 0.03 1 1142 710 106 ALA HA H 4.13 0.03 1 1143 710 106 ALA HB H 1.59 0.03 1 1144 710 106 ALA C C 179.84 0.20 1 1145 710 106 ALA CA C 54.73 0.20 1 1146 710 106 ALA CB C 18.12 0.20 1 1147 710 106 ALA N N 122.73 0.30 1 1148 711 107 GLN H H 8.37 0.03 1 1149 711 107 GLN HA H 3.93 0.03 1 1150 711 107 GLN HB2 H 2.10 0.03 2 1151 711 107 GLN HB3 H 2.38 0.03 2 1152 711 107 GLN HG2 H 2.25 0.03 2 1153 711 107 GLN HG3 H 2.45 0.03 2 1154 711 107 GLN HE21 H 7.63 0.03 2 1155 711 107 GLN HE22 H 6.80 0.03 2 1156 711 107 GLN C C 177.77 0.20 1 1157 711 107 GLN CA C 58.81 0.20 1 1158 711 107 GLN CB C 29.59 0.20 1 1159 711 107 GLN CG C 34.20 0.20 1 1160 711 107 GLN N N 118.25 0.30 1 1161 711 107 GLN NE2 N 112.41 0.30 1 1162 712 108 ARG H H 7.92 0.03 1 1163 712 108 ARG HA H 4.14 0.03 1 1164 712 108 ARG HB2 H 1.90 0.03 2 1165 712 108 ARG HB3 H 2.00 0.03 2 1166 712 108 ARG HG3 H 1.65 0.03 2 1167 712 108 ARG HD3 H 3.26 0.03 2 1168 712 108 ARG C C 178.84 0.20 1 1169 712 108 ARG CA C 59.10 0.20 1 1170 712 108 ARG CB C 30.46 0.20 1 1171 712 108 ARG CG C 28.12 0.20 1 1172 712 108 ARG CD C 43.61 0.20 1 1173 712 108 ARG N N 118.80 0.30 1 1174 713 109 GLY H H 7.92 0.03 1 1175 713 109 GLY HA2 H 3.88 0.03 2 1176 713 109 GLY HA3 H 3.95 0.03 2 1177 713 109 GLY C C 175.55 0.20 1 1178 713 109 GLY CA C 46.44 0.20 1 1179 713 109 GLY N N 106.68 0.30 1 1180 714 110 PHE H H 7.96 0.03 1 1181 714 110 PHE HA H 4.53 0.03 1 1182 714 110 PHE HB3 H 3.07 0.03 2 1183 714 110 PHE HD1 H 7.20 0.03 3 1184 714 110 PHE C C 176.99 0.20 1 1185 714 110 PHE CA C 58.87 0.20 1 1186 714 110 PHE CB C 38.76 0.20 1 1187 714 110 PHE CD1 C 131.62 0.20 1 1188 714 110 PHE N N 120.38 0.30 1 1189 715 111 ASN H H 8.27 0.03 1 1190 715 111 ASN HA H 4.65 0.03 1 1191 715 111 ASN HB3 H 2.88 0.03 2 1192 715 111 ASN HD21 H 7.56 0.03 2 1193 715 111 ASN HD22 H 6.94 0.03 2 1194 715 111 ASN C C 176.01 0.20 1 1195 715 111 ASN CA C 54.58 0.20 1 1196 715 111 ASN CB C 38.70 0.20 1 1197 715 111 ASN N N 118.32 0.30 1 1198 715 111 ASN ND2 N 111.62 0.30 1 1199 716 112 LYS H H 7.93 0.03 1 1200 716 112 LYS HA H 4.16 0.03 1 1201 716 112 LYS HB3 H 1.88 0.03 2 1202 716 112 LYS HG2 H 1.38 0.03 2 1203 716 112 LYS HG3 H 1.48 0.03 2 1204 716 112 LYS HD3 H 1.68 0.03 2 1205 716 112 LYS HE3 H 2.97 0.03 2 1206 716 112 LYS C C 177.25 0.20 1 1207 716 112 LYS CA C 58.37 0.20 1 1208 716 112 LYS CB C 32.88 0.20 1 1209 716 112 LYS CG C 25.18 0.20 1 1210 716 112 LYS CD C 29.53 0.20 1 1211 716 112 LYS CE C 41.92 0.20 1 1212 716 112 LYS N N 120.61 0.30 1 1213 717 113 VAL H H 7.75 0.03 1 1214 717 113 VAL HA H 3.98 0.03 1 1215 717 113 VAL HB H 2.07 0.03 1 1216 717 113 VAL HG1 H 0.98 0.03 2 1217 717 113 VAL HG2 H 0.86 0.03 2 1218 717 113 VAL C C 176.96 0.20 1 1219 717 113 VAL CA C 63.98 0.20 1 1220 717 113 VAL CB C 32.39 0.20 1 1221 717 113 VAL CG1 C 21.54 0.20 2 1222 717 113 VAL CG2 C 21.25 0.20 2 1223 717 113 VAL N N 118.84 0.30 1 1224 718 114 TRP H H 8.18 0.03 1 1225 718 114 TRP HA H 4.48 0.03 1 1226 718 114 TRP HB2 H 3.18 0.03 2 1227 718 114 TRP HB3 H 3.31 0.03 2 1228 718 114 TRP HD1 H 7.20 0.03 1 1229 718 114 TRP HE1 H 10.11 0.03 1 1230 718 114 TRP HE3 H 7.55 0.03 1 1231 718 114 TRP HZ2 H 7.39 0.03 1 1232 718 114 TRP HZ3 H 7.08 0.03 1 1233 718 114 TRP HH2 H 7.14 0.03 1 1234 718 114 TRP C C 177.25 0.20 1 1235 718 114 TRP CA C 58.98 0.20 1 1236 718 114 TRP CB C 29.53 0.20 1 1237 718 114 TRP CD1 C 126.94 0.20 1 1238 718 114 TRP CE3 C 120.85 0.20 1 1239 718 114 TRP CZ2 C 114.61 0.20 1 1240 718 114 TRP CZ3 C 122.00 0.20 1 1241 718 114 TRP CH2 C 124.65 0.20 1 1242 718 114 TRP N N 122.60 0.30 1 1243 718 114 TRP NE1 N 129.17 0.30 1 1244 719 115 ARG H H 8.03 0.03 1 1245 719 115 ARG HA H 4.07 0.03 1 1246 719 115 ARG HB3 H 1.81 0.03 2 1247 719 115 ARG HG2 H 1.54 0.03 2 1248 719 115 ARG HG3 H 1.65 0.03 2 1249 719 115 ARG HD3 H 3.15 0.03 2 1250 719 115 ARG C C 176.99 0.20 1 1251 719 115 ARG CA C 57.65 0.20 1 1252 719 115 ARG CB C 30.92 0.20 1 1253 719 115 ARG CG C 27.46 0.20 1 1254 719 115 ARG CD C 43.50 0.20 1 1255 719 115 ARG N N 120.60 0.30 1 1256 720 116 GLU H H 8.11 0.03 1 1257 720 116 GLU HA H 4.08 0.03 1 1258 720 116 GLU HB3 H 2.04 0.03 2 1259 720 116 GLU HG2 H 2.23 0.03 2 1260 720 116 GLU HG3 H 2.37 0.03 2 1261 720 116 GLU C C 177.50 0.20 1 1262 720 116 GLU CA C 57.68 0.20 1 1263 720 116 GLU CB C 30.02 0.20 1 1264 720 116 GLU CG C 36.60 0.20 1 1265 720 116 GLU N N 119.85 0.30 1 1266 721 117 GLN H H 8.15 0.03 1 1267 721 117 GLN HA H 4.20 0.03 1 1268 721 117 GLN HB2 H 2.00 0.03 2 1269 721 117 GLN HB3 H 2.06 0.03 2 1270 721 117 GLN HG2 H 2.20 0.03 2 1271 721 117 GLN HG3 H 2.35 0.03 2 1272 721 117 GLN HE21 H 7.38 0.03 2 1273 721 117 GLN HE22 H 6.74 0.03 2 1274 721 117 GLN C C 176.31 0.20 1 1275 721 117 GLN CA C 56.81 0.20 1 1276 721 117 GLN CB C 29.15 0.20 1 1277 721 117 GLN CG C 34.01 0.20 1 1278 721 117 GLN N N 118.80 0.30 1 1279 721 117 GLN NE2 N 111.58 0.30 1 1280 722 118 ASN H H 8.09 0.03 1 1281 722 118 ASN HA H 4.60 0.03 1 1282 722 118 ASN HB2 H 2.47 0.03 2 1283 722 118 ASN HB3 H 2.67 0.03 2 1284 722 118 ASN HD21 H 7.28 0.03 2 1285 722 118 ASN HD22 H 6.61 0.03 2 1286 722 118 ASN C C 175.50 0.20 1 1287 722 118 ASN CA C 54.02 0.20 1 1288 722 118 ASN CB C 39.24 0.20 1 1289 722 118 ASN N N 118.05 0.30 1 1290 722 118 ASN ND2 N 112.61 0.30 1 1291 723 119 GLU H H 8.21 0.03 1 1292 723 119 GLU HA H 4.14 0.03 1 1293 723 119 GLU HB3 H 2.02 0.03 2 1294 723 119 GLU HG3 H 2.24 0.03 2 1295 723 119 GLU C C 176.83 0.20 1 1296 723 119 GLU CA C 57.59 0.20 1 1297 723 119 GLU CB C 30.03 0.20 1 1298 723 119 GLU CG C 36.42 0.20 1 1299 723 119 GLU N N 120.31 0.30 1 1300 724 120 LYS H H 8.02 0.03 1 1301 724 120 LYS HA H 4.13 0.03 1 1302 724 120 LYS HB3 H 1.61 0.03 2 1303 724 120 LYS HG3 H 1.22 0.03 2 1304 724 120 LYS HD3 H 1.59 0.03 2 1305 724 120 LYS HE3 H 2.91 0.03 2 1306 724 120 LYS C C 176.55 0.20 1 1307 724 120 LYS CA C 57.02 0.20 1 1308 724 120 LYS CB C 32.67 0.20 1 1309 724 120 LYS CG C 24.81 0.20 1 1310 724 120 LYS CD C 29.20 0.20 1 1311 724 120 LYS CE C 42.14 0.20 1 1312 724 120 LYS N N 119.66 0.30 1 1313 725 121 TYR H H 7.82 0.03 1 1314 725 121 TYR HA H 4.46 0.03 1 1315 725 121 TYR HB2 H 2.85 0.03 2 1316 725 121 TYR HB3 H 2.96 0.03 2 1317 725 121 TYR HD2 H 6.99 0.03 3 1318 725 121 TYR HE2 H 6.79 0.03 3 1319 725 121 TYR C C 175.55 0.20 1 1320 725 121 TYR CA C 58.20 0.20 1 1321 725 121 TYR CB C 38.73 0.20 1 1322 725 121 TYR CD2 C 133.27 0.20 1 1323 725 121 TYR CE2 C 118.33 0.20 1 1324 725 121 TYR N N 119.11 0.30 1 1325 726 122 TYR H H 7.73 0.03 1 1326 726 122 TYR HA H 4.51 0.03 1 1327 726 122 TYR HB2 H 2.92 0.03 2 1328 726 122 TYR HB3 H 3.01 0.03 2 1329 726 122 TYR HD2 H 7.08 0.03 3 1330 726 122 TYR HE2 H 6.81 0.03 3 1331 726 122 TYR C C 175.23 0.20 1 1332 726 122 TYR CA C 57.83 0.20 1 1333 726 122 TYR CB C 38.86 0.20 1 1334 726 122 TYR CD2 C 133.43 0.20 1 1335 726 122 TYR CE2 C 118.43 0.20 1 1336 726 122 TYR N N 119.82 0.30 1 1337 727 123 LEU H H 7.83 0.03 1 1338 727 123 LEU HA H 4.30 0.03 1 1339 727 123 LEU HB3 H 1.57 0.03 2 1340 727 123 LEU HG H 1.49 0.03 1 1341 727 123 LEU HD1 H 0.90 0.03 2 1342 727 123 LEU HD2 H 0.86 0.03 2 1343 727 123 LEU C C 176.68 0.20 1 1344 727 123 LEU CA C 55.01 0.20 1 1345 727 123 LEU CB C 42.52 0.20 1 1346 727 123 LEU CG C 26.94 0.20 1 1347 727 123 LEU CD1 C 25.04 0.20 2 1348 727 123 LEU CD2 C 23.72 0.20 2 1349 727 123 LEU N N 123.03 0.30 1 1350 728 124 LYS H H 8.10 0.03 1 1351 728 124 LYS HA H 4.35 0.03 1 1352 728 124 LYS HB2 H 1.75 0.03 2 1353 728 124 LYS HB3 H 1.88 0.03 2 1354 728 124 LYS HG3 H 1.44 0.03 2 1355 728 124 LYS HD3 H 1.69 0.03 2 1356 728 124 LYS HE3 H 2.98 0.03 2 1357 728 124 LYS C C 175.61 0.20 1 1358 728 124 LYS CA C 56.32 0.20 1 1359 728 124 LYS CB C 33.23 0.20 1 1360 728 124 LYS CG C 24.79 0.20 1 1361 728 124 LYS CD C 29.28 0.20 1 1362 728 124 LYS CE C 42.18 0.20 1 1363 728 124 LYS N N 122.56 0.30 1 1364 729 125 SER H H 7.89 0.03 1 1365 729 125 SER HA H 4.26 0.03 1 1366 729 125 SER HB3 H 3.83 0.03 2 1367 729 125 SER C C 178.73 0.20 1 1368 729 125 SER CA C 59.94 0.20 1 1369 729 125 SER CB C 64.94 0.20 1 1370 729 125 SER N N 122.79 0.30 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Sds3SID _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 1 202 1 SER HA H 4.04 0.03 1 2 202 1 SER HB3 H 3.92 0.03 2 3 202 1 SER CA C 57.59 0.20 1 4 202 1 SER CB C 63.88 0.20 1 5 204 3 ALA HB H 1.28 0.03 1 6 204 3 ALA CB C 19.31 0.20 1 7 205 4 ALA H H 8.17 0.03 1 8 205 4 ALA HA H 4.22 0.03 1 9 205 4 ALA HB H 1.31 0.03 1 10 205 4 ALA CA C 52.68 0.20 1 11 205 4 ALA CB C 19.32 0.20 1 12 205 4 ALA N N 122.69 0.30 1 13 206 5 GLN H H 8.15 0.03 1 14 206 5 GLN HA H 4.25 0.03 1 15 206 5 GLN HB2 H 1.94 0.03 2 16 206 5 GLN HB3 H 2.04 0.03 2 17 206 5 GLN HG3 H 2.29 0.03 2 18 206 5 GLN CA C 55.55 0.20 1 19 206 5 GLN CB C 29.80 0.20 1 20 206 5 GLN CG C 33.98 0.20 1 21 206 5 GLN N N 119.18 0.30 1 22 207 6 LEU H H 8.03 0.03 1 23 207 6 LEU HA H 4.16 0.03 1 24 207 6 LEU HB2 H 1.02 0.03 2 25 207 6 LEU HB3 H 1.18 0.03 2 26 207 6 LEU HG H 1.32 0.03 1 27 207 6 LEU HD1 H 0.71 0.03 2 28 207 6 LEU HD2 H 0.71 0.03 2 29 207 6 LEU CA C 54.72 0.20 1 30 207 6 LEU CB C 42.72 0.20 1 31 207 6 LEU CG C 27.41 0.20 1 32 207 6 LEU CD1 C 25.20 0.20 2 33 207 6 LEU CD2 C 24.86 0.20 2 34 207 6 LEU N N 123.56 0.30 1 35 208 7 ASN H H 8.85 0.03 1 36 208 7 ASN HA H 4.76 0.03 1 37 208 7 ASN HB2 H 2.73 0.03 2 38 208 7 ASN HB3 H 2.89 0.03 2 39 208 7 ASN HD21 H 7.70 0.03 2 40 208 7 ASN HD22 H 6.89 0.03 2 41 208 7 ASN CA C 52.05 0.20 1 42 208 7 ASN CB C 38.79 0.20 1 43 208 7 ASN N N 121.19 0.30 1 44 208 7 ASN ND2 N 113.04 0.30 1 45 209 8 TYR HA H 4.54 0.03 1 46 209 8 TYR HB2 H 2.99 0.03 2 47 209 8 TYR HB3 H 3.08 0.03 2 48 209 8 TYR HD1 H 7.11 0.03 3 49 209 8 TYR HE1 H 6.82 0.03 3 50 210 9 LEU H H 7.37 0.03 1 51 210 9 LEU HA H 4.45 0.03 1 52 210 9 LEU HB2 H 1.69 0.03 2 53 210 9 LEU HB3 H 1.85 0.03 2 54 210 9 LEU HG H 1.86 0.03 1 55 210 9 LEU HD1 H 1.00 0.03 2 56 210 9 LEU HD2 H 0.93 0.03 2 57 210 9 LEU CA C 55.91 0.20 1 58 210 9 LEU CB C 43.47 0.20 1 59 210 9 LEU CG C 27.56 0.20 1 60 210 9 LEU CD1 C 25.96 0.20 2 61 210 9 LEU CD2 C 24.73 0.20 2 62 210 9 LEU N N 123.40 0.30 1 63 211 10 LEU H H 8.29 0.03 1 64 211 10 LEU HA H 4.45 0.03 1 65 211 10 LEU HB2 H 1.41 0.03 2 66 211 10 LEU HB3 H 1.69 0.03 2 67 211 10 LEU HG H 1.63 0.03 1 68 211 10 LEU HD1 H 0.86 0.03 2 69 211 10 LEU HD2 H 0.70 0.03 2 70 211 10 LEU CA C 54.88 0.20 1 71 211 10 LEU CD1 C 23.77 0.20 2 72 211 10 LEU CD2 C 23.98 0.20 2 73 211 10 LEU N N 121.33 0.30 1 74 212 11 THR H H 8.36 0.03 1 75 212 11 THR HA H 4.33 0.03 1 76 212 11 THR HB H 4.70 0.03 1 77 212 11 THR HG2 H 1.27 0.03 1 78 212 11 THR CA C 61.23 0.20 1 79 212 11 THR CB C 70.37 0.20 1 80 212 11 THR CG2 C 21.90 0.20 1 81 212 11 THR N N 118.96 0.30 1 82 213 12 ASP H H 8.92 0.03 1 83 213 12 ASP HA H 4.31 0.03 1 84 213 12 ASP HB3 H 2.66 0.03 2 85 213 12 ASP CA C 57.99 0.20 1 86 213 12 ASP CB C 40.15 0.20 1 87 213 12 ASP N N 121.39 0.30 1 88 214 13 GLU H H 8.51 0.03 1 89 214 13 GLU HA H 3.99 0.03 1 90 214 13 GLU HB2 H 1.95 0.03 2 91 214 13 GLU HB3 H 2.03 0.03 2 92 214 13 GLU HG3 H 2.31 0.03 2 93 214 13 GLU CA C 59.70 0.20 1 94 214 13 GLU CB C 29.60 0.20 1 95 214 13 GLU CG C 36.88 0.20 1 96 214 13 GLU N N 118.06 0.30 1 97 215 14 GLN H H 7.71 0.03 1 98 215 14 GLN HA H 3.97 0.03 1 99 215 14 GLN HB3 H 2.36 0.03 2 100 215 14 GLN HG3 H 2.48 0.03 2 101 215 14 GLN CA C 58.83 0.20 1 102 215 14 GLN CB C 34.70 0.20 1 103 215 14 GLN CG C 34.80 0.20 1 104 215 14 GLN N N 121.08 0.30 1 105 216 15 ILE H H 8.27 0.03 1 106 216 15 ILE HA H 3.65 0.03 1 107 216 15 ILE HB H 2.00 0.03 1 108 216 15 ILE HG12 H 1.05 0.03 2 109 216 15 ILE HG13 H 1.61 0.03 2 110 216 15 ILE HG2 H 1.09 0.03 1 111 216 15 ILE HD1 H 1.01 0.03 1 112 216 15 ILE CA C 67.10 0.20 1 113 216 15 ILE CB C 38.52 0.20 1 114 216 15 ILE CG1 C 30.57 0.20 1 115 216 15 ILE CG2 C 17.27 0.20 1 116 216 15 ILE CD1 C 13.18 0.20 1 117 216 15 ILE N N 118.95 0.30 1 118 217 16 MET H H 8.38 0.03 1 119 217 16 MET HA H 4.21 0.03 1 120 217 16 MET HB2 H 2.06 0.03 2 121 217 16 MET HB3 H 2.20 0.03 2 122 217 16 MET HG2 H 2.66 0.03 2 123 217 16 MET HG3 H 2.73 0.03 2 124 217 16 MET HE H 2.08 0.03 1 125 217 16 MET CA C 58.26 0.20 1 126 217 16 MET CB C 32.07 0.20 1 127 217 16 MET CG C 32.60 0.20 1 128 217 16 MET CE C 17.15 0.20 1 129 217 16 MET N N 116.20 0.30 1 130 218 17 GLU H H 8.06 0.03 1 131 218 17 GLU HA H 4.00 0.03 1 132 218 17 GLU HB2 H 2.11 0.03 2 133 218 17 GLU HB3 H 2.18 0.03 2 134 218 17 GLU HG3 H 2.33 0.03 2 135 218 17 GLU CA C 59.46 0.20 1 136 218 17 GLU CB C 29.49 0.20 1 137 218 17 GLU CG C 36.11 0.20 1 138 218 17 GLU N N 120.73 0.30 1 139 219 18 ASP H H 8.03 0.03 1 140 219 18 ASP HA H 4.28 0.03 1 141 219 18 ASP HB2 H 2.37 0.03 2 142 219 18 ASP HB3 H 3.06 0.03 2 143 219 18 ASP CA C 58.18 0.20 1 144 219 18 ASP CB C 39.50 0.20 1 145 219 18 ASP N N 124.05 0.30 1 146 220 19 LEU H H 8.52 0.03 1 147 220 19 LEU HA H 3.87 0.03 1 148 220 19 LEU HB2 H 1.37 0.03 2 149 220 19 LEU HB3 H 1.92 0.03 2 150 220 19 LEU HG H 1.61 0.03 1 151 220 19 LEU HD1 H 0.76 0.03 2 152 220 19 LEU HD2 H 0.92 0.03 2 153 220 19 LEU CA C 58.13 0.20 1 154 220 19 LEU CB C 41.68 0.20 1 155 220 19 LEU CD1 C 23.22 0.20 2 156 220 19 LEU CD2 C 26.31 0.20 2 157 220 19 LEU N N 118.97 0.30 1 158 221 20 ARG H H 8.65 0.03 1 159 221 20 ARG HA H 4.06 0.03 1 160 221 20 ARG HB3 H 1.99 0.03 2 161 221 20 ARG HG2 H 1.61 0.03 2 162 221 20 ARG HG3 H 1.81 0.03 2 163 221 20 ARG HD3 H 3.21 0.03 2 164 221 20 ARG CA C 59.77 0.20 1 165 221 20 ARG CB C 30.27 0.20 1 166 221 20 ARG CG C 27.96 0.20 1 167 221 20 ARG CD C 43.71 0.20 1 168 221 20 ARG N N 120.21 0.30 1 169 222 21 THR H H 8.18 0.03 1 170 222 21 THR HA H 4.28 0.03 1 171 222 21 THR HB H 3.89 0.03 1 172 222 21 THR HG2 H 1.22 0.03 1 173 222 21 THR CA C 68.39 0.20 1 174 222 21 THR CB C 66.48 0.20 1 175 222 21 THR CG2 C 22.38 0.20 1 176 222 21 THR N N 117.50 0.30 1 177 223 22 LEU H H 7.73 0.03 1 178 223 22 LEU HA H 4.04 0.03 1 179 223 22 LEU HB3 H 1.67 0.03 2 180 223 22 LEU HG H 1.81 0.03 1 181 223 22 LEU HD1 H 0.80 0.03 2 182 223 22 LEU HD2 H 0.79 0.03 2 183 223 22 LEU CA C 56.45 0.20 1 184 223 22 LEU CB C 41.93 0.20 1 185 223 22 LEU CG C 27.68 0.20 1 186 223 22 LEU CD1 C 25.29 0.20 2 187 223 22 LEU CD2 C 24.50 0.20 2 188 223 22 LEU N N 119.40 0.30 1 189 224 23 ASN H H 8.09 0.03 1 190 224 23 ASN HA H 4.62 0.03 1 191 224 23 ASN HB2 H 2.79 0.03 2 192 224 23 ASN HB3 H 2.96 0.03 2 193 224 23 ASN HD21 H 7.49 0.03 2 194 224 23 ASN HD22 H 6.92 0.03 2 195 224 23 ASN CA C 54.26 0.20 1 196 224 23 ASN CB C 38.23 0.20 1 197 224 23 ASN N N 116.11 0.30 1 198 224 23 ASN ND2 N 111.93 0.30 1 199 225 24 LYS H H 7.94 0.03 1 200 225 24 LYS HA H 4.32 0.03 1 201 225 24 LYS HB2 H 1.77 0.03 2 202 225 24 LYS HB3 H 1.95 0.03 2 203 225 24 LYS HG3 H 1.44 0.03 2 204 225 24 LYS HD3 H 1.66 0.03 2 205 225 24 LYS HE3 H 2.97 0.03 2 206 225 24 LYS CB C 32.99 0.20 1 207 225 24 LYS CG C 24.87 0.20 1 208 225 24 LYS CD C 29.21 0.20 1 209 225 24 LYS CE C 42.15 0.20 1 210 225 24 LYS N N 118.20 0.30 1 211 226 25 LEU H H 7.77 0.03 1 212 226 25 LEU HA H 4.37 0.03 1 213 226 25 LEU HB3 H 1.61 0.03 2 214 226 25 LEU HG H 1.62 0.03 1 215 226 25 LEU HD1 H 0.94 0.03 2 216 226 25 LEU HD2 H 0.89 0.03 2 217 226 25 LEU CA C 54.97 0.20 1 218 226 25 LEU CB C 42.57 0.20 1 219 226 25 LEU CG C 27.23 0.20 1 220 226 25 LEU CD1 C 25.45 0.20 2 221 226 25 LEU CD2 C 23.72 0.20 2 222 226 25 LEU N N 120.59 0.30 1 223 227 26 LYS H H 8.12 0.03 1 224 227 26 LYS HA H 4.38 0.03 1 225 227 26 LYS HB3 H 1.79 0.03 2 226 227 26 LYS HG3 H 1.46 0.03 2 227 227 26 LYS HD3 H 1.64 0.03 2 228 227 26 LYS N N 122.42 0.30 1 229 228 27 SER H H 7.91 0.03 1 230 228 27 SER HA H 4.25 0.03 1 231 228 27 SER HB3 H 3.84 0.03 2 232 228 27 SER CA C 60.04 0.20 1 233 228 27 SER CB C 65.00 0.20 1 234 228 27 SER N N 122.98 0.30 1 stop_ save_