data_11036 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structures of KAP-1PHD finger-bromodomain ; _BMRB_accession_number 11036 _BMRB_flat_file_name bmr11036.str _Entry_type original _Submission_date 2008-03-20 _Accession_date 2008-03-20 _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 Zeng Lei . . 2 Yap Kyoko L. . 3 Ivanov Alexey V. . 4 Wang Xueqi . . 5 Mujtaba Shiraz . . 6 Plotnikova Olga . . 7 Rauscher Frank J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 996 "13C chemical shifts" 618 "15N chemical shifts" 188 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-11-11 original author . stop_ _Original_release_date 2008-11-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insights into human KAP1 PHD finger-bromodomain and its role in gene silencing.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18488044 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zeng Lei . . 2 Yap Kyoko L. . 3 Ivanov Alexey V. . 4 Wang Xueqi . . 5 Mujtaba Shiraz . . 6 Plotnikova Olga . . 7 Rauscher Frank J. . 8 Zhou Ming-Ming . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_volume 15 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 626 _Page_last 633 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'KAP1 PHD Bromodomains' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KAP1 PHD Bromodomains' $entity_1 'ZINC ION No.1' $ZN 'ZINC ION No.2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'KAP1 PHD Bromodomains' _Molecular_mass 21043.086 _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 189 _Mol_residue_sequence ; SATICRVCQKPGDLVMCNQC EFCFHLDCHLPALQDVPGEE WSCSLCHVLPDLKEEDGSLS LDGADSTGVVAKLSPANQRK CERVLLALFCHEPCRPLHQL ATDSTFSLDQPGGTLDLTLI RARLQEKLSPPYSSPQEFAQ DVGRMFKQFNKLTEDKADVQ SIIGLQRFFETRMNEAFGDT KFSAVLVEP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 624 SER 2 625 ALA 3 626 THR 4 627 ILE 5 628 CYS 6 629 ARG 7 630 VAL 8 631 CYS 9 632 GLN 10 633 LYS 11 634 PRO 12 635 GLY 13 636 ASP 14 637 LEU 15 638 VAL 16 639 MET 17 640 CYS 18 641 ASN 19 642 GLN 20 643 CYS 21 644 GLU 22 645 PHE 23 646 CYS 24 647 PHE 25 648 HIS 26 649 LEU 27 650 ASP 28 651 CYS 29 652 HIS 30 653 LEU 31 654 PRO 32 655 ALA 33 656 LEU 34 657 GLN 35 658 ASP 36 659 VAL 37 660 PRO 38 661 GLY 39 662 GLU 40 663 GLU 41 664 TRP 42 665 SER 43 666 CYS 44 667 SER 45 668 LEU 46 669 CYS 47 670 HIS 48 671 VAL 49 672 LEU 50 673 PRO 51 674 ASP 52 675 LEU 53 676 LYS 54 677 GLU 55 678 GLU 56 679 ASP 57 680 GLY 58 681 SER 59 682 LEU 60 683 SER 61 684 LEU 62 685 ASP 63 686 GLY 64 687 ALA 65 688 ASP 66 689 SER 67 690 THR 68 691 GLY 69 692 VAL 70 693 VAL 71 694 ALA 72 695 LYS 73 696 LEU 74 697 SER 75 698 PRO 76 699 ALA 77 700 ASN 78 701 GLN 79 702 ARG 80 703 LYS 81 704 CYS 82 705 GLU 83 706 ARG 84 707 VAL 85 708 LEU 86 709 LEU 87 710 ALA 88 711 LEU 89 712 PHE 90 713 CYS 91 714 HIS 92 715 GLU 93 716 PRO 94 717 CYS 95 718 ARG 96 719 PRO 97 720 LEU 98 721 HIS 99 722 GLN 100 723 LEU 101 724 ALA 102 725 THR 103 726 ASP 104 727 SER 105 728 THR 106 729 PHE 107 730 SER 108 731 LEU 109 732 ASP 110 733 GLN 111 734 PRO 112 735 GLY 113 736 GLY 114 737 THR 115 738 LEU 116 739 ASP 117 740 LEU 118 741 THR 119 742 LEU 120 743 ILE 121 744 ARG 122 745 ALA 123 746 ARG 124 747 LEU 125 748 GLN 126 749 GLU 127 750 LYS 128 751 LEU 129 752 SER 130 753 PRO 131 754 PRO 132 755 TYR 133 756 SER 134 757 SER 135 758 PRO 136 759 GLN 137 760 GLU 138 761 PHE 139 762 ALA 140 763 GLN 141 764 ASP 142 765 VAL 143 766 GLY 144 767 ARG 145 768 MET 146 769 PHE 147 770 LYS 148 771 GLN 149 772 PHE 150 773 ASN 151 774 LYS 152 775 LEU 153 776 THR 154 777 GLU 155 778 ASP 156 779 LYS 157 780 ALA 158 781 ASP 159 782 VAL 160 783 GLN 161 784 SER 162 785 ILE 163 786 ILE 164 787 GLY 165 788 LEU 166 789 GLN 167 790 ARG 168 791 PHE 169 792 PHE 170 793 GLU 171 794 THR 172 795 ARG 173 796 MET 174 797 ASN 175 798 GLU 176 799 ALA 177 800 PHE 178 801 GLY 179 802 ASP 180 803 THR 181 804 LYS 182 805 PHE 183 806 SER 184 807 ALA 185 808 VAL 186 809 LEU 187 800 VAL 188 811 GLU 189 812 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2RO1 "Nmr Solution Structures Of Human Kap1 Phd Finger-Bromodomain" 100.00 189 100.00 100.00 4.89e-135 DBJ BAC40742 "unnamed protein product [Mus musculus]" 100.00 240 98.41 100.00 1.44e-133 DBJ BAE24661 "unnamed protein product [Mus musculus]" 100.00 834 98.41 100.00 1.96e-128 DBJ BAE29223 "unnamed protein product [Mus musculus]" 100.00 631 97.88 99.47 2.39e-129 DBJ BAG11035 "tripartite motif-containing protein 28 [synthetic construct]" 100.00 835 100.00 100.00 5.27e-130 DBJ BAG36262 "unnamed protein product [Homo sapiens]" 100.00 835 100.00 100.00 5.22e-130 EMBL CAA66150 "TIF1beta zinc finger protein [Homo sapiens]" 100.00 835 100.00 100.00 5.27e-130 EMBL CAA67963 "TIF1 beta protein [Mus musculus]" 100.00 834 98.41 100.00 1.96e-128 GB AAA74954 "unknown [Homo sapiens]" 100.00 350 100.00 100.00 1.28e-135 GB AAB17272 "KRAB-A interacting protein [Mus musculus]" 100.00 834 98.41 100.00 1.72e-128 GB AAB37341 "nuclear corepressor KAP-1 [Homo sapiens]" 100.00 835 100.00 100.00 5.27e-130 GB AAB51517 "hKAP1/TIF1B [Homo sapiens]" 100.00 835 100.00 100.00 5.27e-130 GB AAG02638 "transcriptional corepressor TIF1beta [Mus musculus]" 100.00 834 98.41 100.00 1.96e-128 REF NP_001193738 "transcription intermediary factor 1-beta [Bos taurus]" 100.00 812 97.35 98.41 1.63e-125 REF NP_005753 "transcription intermediary factor 1-beta [Homo sapiens]" 100.00 835 100.00 100.00 5.27e-130 REF NP_035718 "transcription intermediary factor 1-beta [Mus musculus]" 100.00 834 98.41 100.00 1.96e-128 REF NP_446368 "transcription intermediary factor 1-beta [Rattus norvegicus]" 100.00 835 97.88 100.00 5.30e-128 REF XP_001098702 "PREDICTED: transcription intermediary factor 1-beta isoform 4 [Macaca mulatta]" 100.00 965 100.00 100.00 2.23e-128 SP O08629 "RecName: Full=Transcription intermediary factor 1-beta; Short=TIF1-beta; AltName: Full=E3 SUMO-protein ligase TRIM28; AltName: " 100.00 835 97.88 100.00 5.30e-128 SP Q13263 "RecName: Full=Transcription intermediary factor 1-beta; Short=TIF1-beta; AltName: Full=E3 SUMO-protein ligase TRIM28; AltName: " 100.00 835 100.00 100.00 5.27e-130 SP Q62318 "RecName: Full=Transcription intermediary factor 1-beta; Short=TIF1-beta; AltName: Full=E3 SUMO-protein ligase TRIM28; AltName: " 100.00 834 98.41 100.00 1.96e-128 TPG DAA19313 "TPA: tripartite motif-containing 28 [Bos taurus]" 100.00 780 97.35 98.41 1.37e-126 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) pGEX4T3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-100% 13C; U-100% 15N]' NaCl 200 mM 'natural abundance' D2O 99.9 % . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 'methyl protons' ppm 0.00 . indirect . . . 0.25144954 water H 1 protons ppm 4.79 internal direct . . . 1.0 TMS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.1013291444 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-15N TOCSY' 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 'KAP1 PHD Bromodomains' _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 1 625 2 ALA CA C 52.969 0.4 1 2 625 2 ALA HA H 4.493 0.04 1 3 625 2 ALA CB C 19.272 0.4 1 4 625 2 ALA HB H 1.417 0.04 1 5 626 3 THR N N 113.570 0.4 1 6 626 3 THR H H 8.176 0.04 1 7 626 3 THR CA C 61.314 0.4 1 8 626 3 THR HA H 4.298 0.04 1 9 626 3 THR CB C 69.270 0.4 1 10 626 3 THR HB H 4.187 0.04 1 11 626 3 THR CG2 C 22.240 0.4 1 12 626 3 THR HG2 H 1.188 0.04 1 13 627 4 ILE N N 115.272 0.4 1 14 627 4 ILE H H 7.549 0.04 1 15 627 4 ILE CA C 58.731 0.4 1 16 627 4 ILE HA H 4.258 0.04 1 17 627 4 ILE CB C 42.246 0.4 1 18 627 4 ILE HB H 1.266 0.04 1 19 627 4 ILE CG1 C 24.883 0.4 1 20 627 4 ILE HG13 H 0.942 0.04 1 21 627 4 ILE HG12 H 1.067 0.04 1 22 627 4 ILE CD1 C 13.018 0.4 1 23 627 4 ILE HD1 H 0.675 0.04 1 24 627 4 ILE CG2 C 18.219 0.4 1 25 627 4 ILE HG2 H 0.617 0.04 1 26 628 5 CYS N N 124.095 0.4 1 27 628 5 CYS H H 7.766 0.04 1 28 628 5 CYS CA C 57.978 0.4 1 29 628 5 CYS HA H 3.781 0.04 1 30 628 5 CYS CB C 31.436 0.4 1 31 628 5 CYS HB3 H 2.260 0.04 2 32 628 5 CYS HB2 H 3.419 0.04 2 33 629 6 ARG N N 129.928 0.4 1 34 629 6 ARG H H 9.040 0.04 1 35 629 6 ARG CA C 57.514 0.4 1 36 629 6 ARG HA H 3.900 0.04 1 37 629 6 ARG CB C 30.251 0.4 1 38 629 6 ARG HB3 H 1.488 0.04 2 39 629 6 ARG HB2 H 1.729 0.04 2 40 629 6 ARG CG C 26.766 0.4 1 41 629 6 ARG HG3 H 1.304 0.04 2 42 629 6 ARG HG2 H 1.423 0.04 2 43 629 6 ARG CD C 42.458 0.4 1 44 629 6 ARG HD3 H 2.598 0.04 2 45 629 6 ARG HD2 H 2.646 0.04 2 46 630 7 VAL N N 118.166 0.4 1 47 630 7 VAL H H 8.734 0.04 1 48 630 7 VAL CA C 65.770 0.4 1 49 630 7 VAL HA H 4.137 0.04 1 50 630 7 VAL CB C 33.079 0.4 1 51 630 7 VAL HB H 2.362 0.04 1 52 630 7 VAL CG2 C 22.474 0.4 1 53 630 7 VAL HG2 H 1.200 0.04 2 54 630 7 VAL CG1 C 21.100 0.4 1 55 630 7 VAL HG1 H 0.904 0.04 2 56 631 8 CYS N N 116.148 0.4 1 57 631 8 CYS H H 8.143 0.04 1 58 631 8 CYS CA C 59.154 0.4 1 59 631 8 CYS HA H 5.105 0.04 1 60 631 8 CYS CB C 31.184 0.4 1 61 631 8 CYS HB3 H 2.946 0.04 2 62 631 8 CYS HB2 H 3.373 0.04 2 63 632 9 GLN N N 115.248 0.4 1 64 632 9 GLN H H 8.132 0.04 1 65 632 9 GLN CA C 57.404 0.4 1 66 632 9 GLN HA H 4.068 0.04 1 67 632 9 GLN CB C 26.002 0.4 1 68 632 9 GLN HB3 H 2.300 0.04 2 69 632 9 GLN HB2 H 2.445 0.04 2 70 632 9 GLN CG C 34.448 0.4 1 71 632 9 GLN HG3 H 2.065 0.04 2 72 632 9 GLN HG2 H 2.141 0.04 2 73 632 9 GLN NE2 N 112.964 0.4 1 74 632 9 GLN HE21 H 7.237 0.04 2 75 632 9 GLN HE22 H 6.826 0.04 2 76 633 10 LYS N N 118.420 0.4 1 77 633 10 LYS H H 8.091 0.04 1 78 633 10 LYS CA C 53.835 0.4 1 79 633 10 LYS HA H 5.046 0.04 1 80 633 10 LYS CB C 33.312 0.4 1 81 633 10 LYS HB3 H 2.097 0.04 2 82 633 10 LYS HB2 H 2.252 0.04 2 83 633 10 LYS CG C 25.049 0.4 1 84 633 10 LYS HG3 H 1.558 0.04 2 85 633 10 LYS HG2 H 1.684 0.04 2 86 633 10 LYS CD C 28.824 0.4 1 87 633 10 LYS HD2 H 1.757 0.04 2 88 633 10 LYS CE C 42.012 0.4 1 89 633 10 LYS HE2 H 3.068 0.04 2 90 634 11 PRO CA C 62.136 0.4 1 91 634 11 PRO HA H 5.056 0.04 1 92 634 11 PRO CB C 33.061 0.4 1 93 634 11 PRO HB3 H 2.265 0.04 2 94 634 11 PRO HB2 H 2.332 0.04 2 95 634 11 PRO CG C 26.237 0.4 1 96 634 11 PRO HG3 H 1.916 0.04 2 97 634 11 PRO HG2 H 2.114 0.04 2 98 634 11 PRO CD C 49.774 0.4 1 99 634 11 PRO HD2 H 3.756 0.04 2 100 635 12 GLY N N 106.958 0.4 1 101 635 12 GLY H H 8.475 0.04 1 102 635 12 GLY CA C 45.303 0.4 1 103 635 12 GLY HA3 H 3.812 0.04 2 104 635 12 GLY HA2 H 4.438 0.04 2 105 636 13 ASP N N 124.001 0.4 1 106 636 13 ASP H H 8.729 0.04 1 107 636 13 ASP CA C 54.239 0.4 1 108 636 13 ASP HA H 4.656 0.04 1 109 636 13 ASP CB C 39.425 0.4 1 110 636 13 ASP HB3 H 2.668 0.04 2 111 636 13 ASP HB2 H 2.742 0.04 2 112 637 14 LEU N N 121.435 0.4 1 113 637 14 LEU H H 7.849 0.04 1 114 637 14 LEU CA C 53.306 0.4 1 115 637 14 LEU HA H 4.546 0.04 1 116 637 14 LEU CB C 44.117 0.4 1 117 637 14 LEU HB3 H 0.925 0.04 2 118 637 14 LEU HB2 H 1.532 0.04 2 119 637 14 LEU CG C 25.801 0.4 1 120 637 14 LEU HG H 1.309 0.04 1 121 637 14 LEU CD1 C 26.005 0.4 1 122 637 14 LEU HD1 H 0.407 0.04 2 123 637 14 LEU CD2 C 21.756 0.4 1 124 637 14 LEU HD2 H -0.179 0.04 2 125 638 15 VAL N N 118.100 0.4 1 126 638 15 VAL H H 8.703 0.04 1 127 638 15 VAL CA C 59.865 0.4 1 128 638 15 VAL HA H 4.383 0.04 1 129 638 15 VAL CB C 33.305 0.4 1 130 638 15 VAL HB H 1.618 0.04 1 131 638 15 VAL CG2 C 19.913 0.4 1 132 638 15 VAL HG2 H 0.432 0.04 2 133 638 15 VAL CG1 C 21.761 0.4 1 134 638 15 VAL HG1 H 0.453 0.04 2 135 639 16 MET N N 125.271 0.4 1 136 639 16 MET H H 8.519 0.04 1 137 639 16 MET CA C 54.122 0.4 1 138 639 16 MET HA H 5.210 0.04 1 139 639 16 MET CB C 36.310 0.4 1 140 639 16 MET HB3 H 1.915 0.04 2 141 639 16 MET HB2 H 2.061 0.04 2 142 639 16 MET CG C 30.950 0.4 1 143 639 16 MET HG3 H 2.372 0.04 2 144 639 16 MET HG2 H 2.374 0.04 2 145 639 16 MET CE C 16.896 0.4 1 146 639 16 MET HE H 2.069 0.04 1 147 640 17 CYS N N 129.455 0.4 1 148 640 17 CYS H H 9.139 0.04 1 149 640 17 CYS CA C 59.996 0.4 1 150 640 17 CYS HA H 4.658 0.04 1 151 640 17 CYS CB C 31.238 0.4 1 152 640 17 CYS HB3 H 2.894 0.04 2 153 640 17 CYS HB2 H 3.726 0.04 2 154 641 18 ASN N N 128.271 0.4 1 155 641 18 ASN H H 8.914 0.04 1 156 641 18 ASN CA C 55.658 0.4 1 157 641 18 ASN HA H 4.584 0.04 1 158 641 18 ASN CB C 38.955 0.4 1 159 641 18 ASN HB3 H 2.849 0.04 2 160 641 18 ASN HB2 H 3.050 0.04 2 161 641 18 ASN ND2 N 112.216 0.4 1 162 641 18 ASN HD21 H 7.812 0.04 2 163 641 18 ASN HD22 H 6.844 0.04 2 164 642 19 GLN N N 121.426 0.4 1 165 642 19 GLN H H 9.313 0.04 1 166 642 19 GLN CA C 57.971 0.4 1 167 642 19 GLN HA H 4.502 0.04 1 168 642 19 GLN CB C 30.466 0.4 1 169 642 19 GLN HB2 H 2.365 0.04 2 170 642 19 GLN CG C 34.207 0.4 1 171 642 19 GLN HG2 H 2.350 0.04 2 172 642 19 GLN NE2 N 112.202 0.4 1 173 642 19 GLN HE21 H 7.424 0.04 2 174 642 19 GLN HE22 H 6.741 0.04 2 175 643 20 CYS N N 120.207 0.4 1 176 643 20 CYS H H 8.542 0.04 1 177 643 20 CYS CA C 59.473 0.4 1 178 643 20 CYS HA H 4.663 0.04 1 179 643 20 CYS CB C 31.889 0.4 1 180 643 20 CYS HB3 H 2.653 0.04 2 181 643 20 CYS HB2 H 2.911 0.04 2 182 644 21 GLU N N 114.113 0.4 1 183 644 21 GLU H H 7.441 0.04 1 184 644 21 GLU CA C 57.994 0.4 1 185 644 21 GLU HA H 4.285 0.04 1 186 644 21 GLU CB C 26.843 0.4 1 187 644 21 GLU HB3 H 2.296 0.04 2 188 644 21 GLU HB2 H 2.356 0.04 2 189 644 21 GLU CG C 37.061 0.4 1 190 644 21 GLU HG3 H 2.079 0.04 2 191 644 21 GLU HG2 H 2.184 0.04 2 192 645 22 PHE N N 120.911 0.4 1 193 645 22 PHE H H 8.941 0.04 1 194 645 22 PHE CA C 57.356 0.4 1 195 645 22 PHE HA H 4.777 0.04 1 196 645 22 PHE CB C 38.709 0.4 1 197 645 22 PHE HB3 H 2.739 0.04 2 198 645 22 PHE HB2 H 3.746 0.04 2 199 645 22 PHE CD1 C 130.342 0.4 3 200 645 22 PHE HD1 H 7.482 0.04 3 201 645 22 PHE HE1 H 7.407 0.04 3 202 645 22 PHE CZ C 129.382 0.4 1 203 645 22 PHE HZ H 7.843 0.04 1 204 646 23 CYS N N 115.830 0.4 1 205 646 23 CYS H H 8.137 0.04 1 206 646 23 CYS CA C 56.600 0.4 1 207 646 23 CYS HA H 5.813 0.04 1 208 646 23 CYS CB C 30.951 0.4 1 209 646 23 CYS HB3 H 2.369 0.04 2 210 646 23 CYS HB2 H 2.749 0.04 2 211 647 24 PHE N N 116.053 0.4 1 212 647 24 PHE H H 9.011 0.04 1 213 647 24 PHE CA C 56.827 0.4 1 214 647 24 PHE HA H 5.910 0.04 1 215 647 24 PHE CB C 44.608 0.4 1 216 647 24 PHE HB3 H 2.561 0.04 2 217 647 24 PHE HB2 H 3.462 0.04 2 218 647 24 PHE CD1 C 131.512 0.4 3 219 647 24 PHE HD1 H 7.356 0.04 3 220 647 24 PHE CE1 C 131.456 0.4 3 221 647 24 PHE HE1 H 7.472 0.04 3 222 647 24 PHE CZ C 129.263 0.4 1 223 647 24 PHE HZ H 7.854 0.04 1 224 648 25 HIS N N 120.957 0.4 1 225 648 25 HIS H H 8.427 0.04 1 226 648 25 HIS CA C 58.971 0.4 1 227 648 25 HIS HA H 4.929 0.04 1 228 648 25 HIS CB C 31.178 0.4 1 229 648 25 HIS HB3 H 3.670 0.04 2 230 648 25 HIS HB2 H 3.696 0.04 2 231 648 25 HIS CD2 C 118.267 0.4 1 232 648 25 HIS HD2 H 7.384 0.04 1 233 648 25 HIS CE1 C 138.592 0.4 1 234 648 25 HIS HE1 H 7.480 0.04 1 235 649 26 LEU N N 123.176 0.4 1 236 649 26 LEU H H 9.369 0.04 1 237 649 26 LEU CA C 59.646 0.4 1 238 649 26 LEU HA H 3.829 0.04 1 239 649 26 LEU CB C 39.426 0.4 1 240 649 26 LEU HB3 H 1.695 0.04 2 241 649 26 LEU HB2 H 1.890 0.04 2 242 649 26 LEU CG C 27.446 0.4 1 243 649 26 LEU HG H 1.886 0.04 1 244 649 26 LEU CD1 C 25.057 0.4 1 245 649 26 LEU HD1 H 0.754 0.04 2 246 649 26 LEU CD2 C 23.399 0.4 1 247 649 26 LEU HD2 H 0.572 0.04 2 248 650 27 ASP N N 109.058 0.4 1 249 650 27 ASP H H 8.326 0.04 1 250 650 27 ASP CA C 53.998 0.4 1 251 650 27 ASP HA H 4.739 0.04 1 252 650 27 ASP CB C 40.331 0.4 1 253 650 27 ASP HB2 H 2.722 0.04 2 254 651 28 CYS N N 117.495 0.4 1 255 651 28 CYS H H 7.480 0.04 1 256 651 28 CYS CA C 61.534 0.4 1 257 651 28 CYS HA H 4.245 0.04 1 258 651 28 CYS CB C 31.646 0.4 1 259 651 28 CYS HB2 H 3.029 0.04 2 260 652 29 HIS N N 116.384 0.4 1 261 652 29 HIS H H 6.894 0.04 1 262 652 29 HIS CA C 59.713 0.4 1 263 652 29 HIS HA H 3.644 0.04 1 264 652 29 HIS CB C 27.909 0.4 1 265 652 29 HIS HB3 H 2.657 0.04 2 266 652 29 HIS HB2 H 2.749 0.04 2 267 652 29 HIS HD2 H 7.341 0.04 1 268 652 29 HIS CE1 C 139.028 0.4 1 269 652 29 HIS HE1 H 7.869 0.04 1 270 653 30 LEU N N 121.110 0.4 1 271 653 30 LEU H H 4.525 0.04 1 272 653 30 LEU CA C 51.439 0.4 1 273 653 30 LEU HA H 4.515 0.04 1 274 653 30 LEU CB C 46.001 0.4 1 275 653 30 LEU HB3 H 1.114 0.04 2 276 653 30 LEU HB2 H 1.433 0.04 2 277 653 30 LEU CG C 26.484 0.4 1 278 653 30 LEU HG H 1.406 0.04 1 279 653 30 LEU CD1 C 25.995 0.4 1 280 653 30 LEU HD1 H 0.893 0.04 2 281 653 30 LEU HD2 H 0.891 0.04 2 282 654 31 PRO CA C 62.964 0.4 1 283 654 31 PRO HA H 4.471 0.04 1 284 654 31 PRO CB C 34.045 0.4 1 285 654 31 PRO HB3 H 2.107 0.04 2 286 654 31 PRO HB2 H 2.608 0.04 2 287 654 31 PRO CG C 25.038 0.4 1 288 654 31 PRO HG2 H 2.022 0.04 2 289 654 31 PRO CD C 49.840 0.4 1 290 654 31 PRO HD3 H 3.472 0.04 2 291 654 31 PRO HD2 H 3.588 0.04 2 292 655 32 ALA N N 125.871 0.4 1 293 655 32 ALA H H 8.766 0.04 1 294 655 32 ALA CA C 52.771 0.4 1 295 655 32 ALA HA H 4.349 0.04 1 296 655 32 ALA CB C 18.177 0.4 1 297 655 32 ALA HB H 1.382 0.04 1 298 656 33 LEU N N 123.348 0.4 1 299 656 33 LEU H H 8.230 0.04 1 300 656 33 LEU CA C 54.014 0.4 1 301 656 33 LEU HA H 4.445 0.04 1 302 656 33 LEU CB C 43.197 0.4 1 303 656 33 LEU HB3 H 1.418 0.04 2 304 656 33 LEU HB2 H 1.659 0.04 2 305 656 33 LEU CG C 27.430 0.4 1 306 656 33 LEU HG H 1.716 0.04 1 307 656 33 LEU CD1 C 23.197 0.4 1 308 656 33 LEU HD1 H 0.735 0.04 2 309 656 33 LEU CD2 C 25.294 0.4 1 310 656 33 LEU HD2 H 0.364 0.04 2 311 657 34 GLN N N 119.992 0.4 1 312 657 34 GLN H H 8.679 0.04 1 313 657 34 GLN CA C 56.354 0.4 1 314 657 34 GLN HA H 4.159 0.04 1 315 657 34 GLN CB C 29.555 0.4 1 316 657 34 GLN HB3 H 1.933 0.04 2 317 657 34 GLN HB2 H 2.129 0.04 2 318 657 34 GLN CG C 34.193 0.4 1 319 657 34 GLN HG2 H 2.345 0.04 2 320 657 34 GLN NE2 N 111.810 0.4 1 321 657 34 GLN HE21 H 7.581 0.04 2 322 657 34 GLN HE22 H 6.809 0.04 2 323 658 35 ASP N N 115.420 0.4 1 324 658 35 ASP H H 7.457 0.04 1 325 658 35 ASP CA C 51.696 0.4 1 326 658 35 ASP HA H 4.626 0.04 1 327 658 35 ASP CB C 43.431 0.4 1 328 658 35 ASP HB3 H 2.434 0.04 2 329 658 35 ASP HB2 H 2.516 0.04 2 330 659 36 VAL N N 122.099 0.4 1 331 659 36 VAL H H 8.624 0.04 1 332 659 36 VAL CA C 60.994 0.4 1 333 659 36 VAL HA H 3.752 0.04 1 334 659 36 VAL CB C 32.087 0.4 1 335 659 36 VAL HB H 1.929 0.04 1 336 659 36 VAL CG2 C 21.610 0.4 1 337 659 36 VAL HG2 H 0.961 0.04 2 338 659 36 VAL CG1 C 21.023 0.4 1 339 659 36 VAL HG1 H 0.949 0.04 2 340 660 37 PRO CA C 62.728 0.4 1 341 660 37 PRO HA H 4.454 0.04 1 342 660 37 PRO CB C 32.835 0.4 1 343 660 37 PRO HB3 H 1.960 0.04 2 344 660 37 PRO HB2 H 1.956 0.04 2 345 660 37 PRO CG C 26.251 0.4 1 346 660 37 PRO HG3 H 0.753 0.04 2 347 660 37 PRO HG2 H 1.168 0.04 2 348 660 37 PRO CD C 50.508 0.4 1 349 660 37 PRO HD3 H 3.282 0.04 2 350 660 37 PRO HD2 H 3.510 0.04 2 351 661 38 GLY N N 106.940 0.4 1 352 661 38 GLY H H 8.189 0.04 1 353 661 38 GLY CA C 44.397 0.4 1 354 661 38 GLY HA3 H 3.969 0.04 2 355 661 38 GLY HA2 H 4.190 0.04 2 356 662 39 GLU N N 117.365 0.4 1 357 662 39 GLU H H 8.281 0.04 1 358 662 39 GLU CA C 57.520 0.4 1 359 662 39 GLU HA H 4.281 0.04 1 360 662 39 GLU CB C 30.013 0.4 1 361 662 39 GLU HB3 H 2.082 0.04 2 362 662 39 GLU HB2 H 2.171 0.04 2 363 662 39 GLU CG C 36.160 0.4 1 364 662 39 GLU HG2 H 2.361 0.04 2 365 663 40 GLU N N 117.986 0.4 1 366 663 40 GLU H H 8.697 0.04 1 367 663 40 GLU CA C 56.389 0.4 1 368 663 40 GLU HA H 4.293 0.04 1 369 663 40 GLU CB C 28.787 0.4 1 370 663 40 GLU HB3 H 2.035 0.04 2 371 663 40 GLU HB2 H 2.139 0.04 2 372 663 40 GLU CG C 36.130 0.4 1 373 663 40 GLU HG2 H 2.211 0.04 2 374 664 41 TRP N N 124.391 0.4 1 375 664 41 TRP H H 7.967 0.04 1 376 664 41 TRP CA C 59.934 0.4 1 377 664 41 TRP HA H 4.312 0.04 1 378 664 41 TRP CB C 29.998 0.4 1 379 664 41 TRP HB2 H 3.201 0.04 2 380 664 41 TRP CD1 C 125.786 0.4 1 381 664 41 TRP HD1 H 7.225 0.04 1 382 664 41 TRP NE1 N 129.603 0.4 1 383 664 41 TRP HE1 H 9.655 0.04 1 384 664 41 TRP CZ2 C 112.960 0.4 1 385 664 41 TRP HZ2 H 5.473 0.04 1 386 664 41 TRP CH2 C 122.789 0.4 1 387 664 41 TRP HH2 H 6.282 0.04 1 388 664 41 TRP CZ3 C 119.397 0.4 1 389 664 41 TRP HZ3 H 6.727 0.04 1 390 664 41 TRP CE3 C 120.317 0.4 1 391 664 41 TRP HE3 H 7.383 0.04 1 392 665 42 SER N N 120.355 0.4 1 393 665 42 SER H H 6.873 0.04 1 394 665 42 SER CA C 55.166 0.4 1 395 665 42 SER HA H 5.259 0.04 1 396 665 42 SER CB C 65.990 0.4 1 397 665 42 SER HB3 H 3.311 0.04 2 398 665 42 SER HB2 H 3.566 0.04 2 399 666 43 CYS N N 125.642 0.4 1 400 666 43 CYS H H 9.271 0.04 1 401 666 43 CYS CA C 57.325 0.4 1 402 666 43 CYS HA H 3.952 0.04 1 403 666 43 CYS CB C 34.022 0.4 1 404 666 43 CYS HB3 H 2.531 0.04 2 405 666 43 CYS HB2 H 3.404 0.04 2 406 667 44 SER N N 117.158 0.4 1 407 667 44 SER H H 7.068 0.04 1 408 667 44 SER CA C 61.353 0.4 1 409 667 44 SER HA H 4.225 0.04 1 410 667 44 SER CB C 63.693 0.4 1 411 667 44 SER HB3 H 3.831 0.04 2 412 667 44 SER HB2 H 3.916 0.04 2 413 668 45 LEU N N 120.667 0.4 1 414 668 45 LEU H H 8.965 0.04 1 415 668 45 LEU CA C 57.416 0.4 1 416 668 45 LEU HA H 4.178 0.04 1 417 668 45 LEU CB C 40.611 0.4 1 418 668 45 LEU HB3 H 1.529 0.04 2 419 668 45 LEU HB2 H 2.284 0.04 2 420 668 45 LEU CG C 26.975 0.4 1 421 668 45 LEU HG H 1.906 0.04 1 422 668 45 LEU CD1 C 25.839 0.4 1 423 668 45 LEU HD1 H 1.246 0.04 2 424 668 45 LEU CD2 C 22.469 0.4 1 425 668 45 LEU HD2 H 0.964 0.04 2 426 669 46 CYS N N 121.872 0.4 1 427 669 46 CYS H H 7.816 0.04 1 428 669 46 CYS CA C 62.557 0.4 1 429 669 46 CYS HA H 3.969 0.04 1 430 669 46 CYS CB C 30.467 0.4 1 431 669 46 CYS HB3 H 2.699 0.04 2 432 669 46 CYS HB2 H 2.789 0.04 2 433 670 47 HIS N N 119.396 0.4 1 434 670 47 HIS H H 8.077 0.04 1 435 670 47 HIS CA C 55.625 0.4 1 436 670 47 HIS HA H 4.429 0.04 1 437 670 47 HIS CB C 30.326 0.4 1 438 670 47 HIS HB3 H 2.794 0.04 2 439 670 47 HIS HB2 H 2.929 0.04 2 440 670 47 HIS CD2 C 119.157 0.4 1 441 670 47 HIS HD2 H 6.896 0.04 1 442 670 47 HIS CE1 C 138.340 0.4 1 443 670 47 HIS HE1 H 7.450 0.04 1 444 671 48 VAL N N 123.528 0.4 1 445 671 48 VAL H H 7.978 0.04 1 446 671 48 VAL CA C 62.120 0.4 1 447 671 48 VAL HA H 3.925 0.04 1 448 671 48 VAL CB C 32.396 0.4 1 449 671 48 VAL HB H 1.908 0.04 1 450 671 48 VAL CG2 C 20.144 0.4 1 451 671 48 VAL HG2 H 0.812 0.04 2 452 671 48 VAL CG1 C 20.756 0.4 1 453 671 48 VAL HG1 H 0.797 0.04 2 454 672 49 LEU N N 126.622 0.4 1 455 672 49 LEU H H 8.139 0.04 1 456 672 49 LEU CA C 52.859 0.4 1 457 672 49 LEU HA H 4.475 0.04 1 458 672 49 LEU CB C 41.536 0.4 1 459 672 49 LEU HB2 H 1.531 0.04 2 460 672 49 LEU CG C 27.049 0.4 1 461 672 49 LEU HG H 1.589 0.04 1 462 672 49 LEU CD1 C 25.118 0.4 1 463 672 49 LEU HD1 H 0.898 0.04 2 464 672 49 LEU CD2 C 23.561 0.4 1 465 672 49 LEU HD2 H 0.881 0.04 2 466 673 50 PRO CA C 62.715 0.4 1 467 673 50 PRO HA H 4.386 0.04 1 468 673 50 PRO CB C 32.093 0.4 1 469 673 50 PRO HB3 H 1.871 0.04 2 470 673 50 PRO HB2 H 2.245 0.04 2 471 673 50 PRO CG C 27.231 0.4 1 472 673 50 PRO HG2 H 2.003 0.04 2 473 673 50 PRO CD C 50.453 0.4 1 474 673 50 PRO HD3 H 3.609 0.04 2 475 673 50 PRO HD2 H 3.810 0.04 2 476 674 51 ASP N N 120.540 0.4 1 477 674 51 ASP H H 8.307 0.04 1 478 674 51 ASP CA C 54.202 0.4 1 479 674 51 ASP HA H 4.564 0.04 1 480 674 51 ASP CB C 41.030 0.4 1 481 674 51 ASP HB3 H 2.554 0.04 2 482 674 51 ASP HB2 H 2.667 0.04 2 483 675 52 LEU N N 122.987 0.4 1 484 675 52 LEU H H 8.053 0.04 1 485 675 52 LEU CA C 54.945 0.4 1 486 675 52 LEU HA H 4.364 0.04 1 487 675 52 LEU CB C 42.436 0.4 1 488 675 52 LEU HB2 H 1.607 0.04 2 489 675 52 LEU CG C 26.997 0.4 1 490 675 52 LEU HG H 1.636 0.04 1 491 675 52 LEU CD1 C 25.119 0.4 1 492 675 52 LEU HD1 H 0.926 0.04 2 493 675 52 LEU CD2 C 23.536 0.4 1 494 675 52 LEU HD2 H 0.885 0.04 2 495 676 53 LYS N N 122.061 0.4 1 496 676 53 LYS H H 8.340 0.04 1 497 676 53 LYS CA C 56.060 0.4 1 498 676 53 LYS HA H 4.331 0.04 1 499 676 53 LYS CB C 32.363 0.4 1 500 676 53 LYS HB3 H 1.421 0.04 2 501 676 53 LYS HB2 H 1.820 0.04 2 502 676 53 LYS CG C 24.185 0.4 1 503 676 53 LYS HG2 H 1.601 0.04 2 504 676 53 LYS CD C 28.500 0.4 1 505 676 53 LYS HD2 H 1.432 0.04 2 506 676 53 LYS CE C 41.892 0.4 1 507 676 53 LYS HE2 H 2.691 0.04 2 508 677 54 GLU N N 121.909 0.4 1 509 677 54 GLU H H 8.403 0.04 1 510 677 54 GLU CA C 56.586 0.4 1 511 677 54 GLU HA H 4.312 0.04 1 512 677 54 GLU CB C 30.221 0.4 1 513 677 54 GLU HB3 H 1.980 0.04 2 514 677 54 GLU HB2 H 2.099 0.04 2 515 677 54 GLU CG C 36.227 0.4 1 516 677 54 GLU HG2 H 2.297 0.04 2 517 678 55 GLU N N 121.528 0.4 1 518 678 55 GLU H H 8.486 0.04 1 519 678 55 GLU CA C 56.368 0.4 1 520 678 55 GLU HA H 4.315 0.04 1 521 678 55 GLU CB C 28.896 0.4 1 522 678 55 GLU HB3 H 1.972 0.04 2 523 678 55 GLU HB2 H 2.091 0.04 2 524 678 55 GLU CG C 35.963 0.4 1 525 678 55 GLU HG2 H 2.276 0.04 2 526 679 56 ASP N N 121.530 0.4 1 527 679 56 ASP H H 8.322 0.04 1 528 679 56 ASP CA C 54.252 0.4 1 529 679 56 ASP HA H 4.680 0.04 1 530 679 56 ASP CB C 41.146 0.4 1 531 679 56 ASP HB2 H 2.743 0.04 2 532 680 57 GLY N N 109.997 0.4 1 533 680 57 GLY H H 8.412 0.04 1 534 680 57 GLY CA C 45.247 0.4 1 535 680 57 GLY HA2 H 4.020 0.04 2 536 681 58 SER N N 115.994 0.4 1 537 681 58 SER H H 8.280 0.04 1 538 681 58 SER CA C 58.239 0.4 1 539 681 58 SER HA H 3.996 0.04 1 540 681 58 SER CB C 63.789 0.4 1 541 681 58 SER HB2 H 4.531 0.04 2 542 682 59 LEU N N 123.362 0.4 1 543 682 59 LEU H H 8.164 0.04 1 544 682 59 LEU CA C 55.160 0.4 1 545 682 59 LEU HA H 4.427 0.04 1 546 682 59 LEU CB C 42.473 0.4 1 547 682 59 LEU HB2 H 1.666 0.04 2 548 682 59 LEU CG C 26.716 0.4 1 549 682 59 LEU HG H 1.656 0.04 1 550 682 59 LEU CD1 C 25.060 0.4 1 551 682 59 LEU HD1 H 0.926 0.04 2 552 682 59 LEU CD2 C 23.484 0.4 1 553 682 59 LEU HD2 H 0.898 0.04 2 554 683 60 SER N N 116.385 0.4 1 555 683 60 SER H H 8.226 0.04 1 556 683 60 SER CA C 58.004 0.4 1 557 683 60 SER HA H 4.517 0.04 1 558 683 60 SER CB C 63.651 0.4 1 559 683 60 SER HB2 H 3.951 0.04 2 560 684 61 LEU N N 124.466 0.4 1 561 684 61 LEU H H 8.303 0.04 1 562 684 61 LEU CA C 54.959 0.4 1 563 684 61 LEU HA H 4.412 0.04 1 564 684 61 LEU CB C 41.713 0.4 1 565 684 61 LEU HB2 H 1.659 0.04 2 566 684 61 LEU CG C 26.609 0.4 1 567 684 61 LEU CD1 C 24.495 0.4 2 568 684 61 LEU HD1 H 0.960 0.04 2 569 684 61 LEU CD2 C 22.885 0.4 2 570 684 61 LEU HD2 H 0.910 0.04 2 571 685 62 ASP N N 120.536 0.4 1 572 685 62 ASP H H 8.267 0.04 1 573 685 62 ASP CA C 54.276 0.4 1 574 685 62 ASP HA H 4.680 0.04 1 575 685 62 ASP CB C 41.125 0.4 1 576 685 62 ASP HB3 H 2.653 0.04 2 577 685 62 ASP HB2 H 2.685 0.04 2 578 686 63 GLY N N 109.373 0.4 1 579 686 63 GLY H H 8.277 0.04 1 580 686 63 GLY CA C 45.297 0.4 1 581 686 63 GLY HA2 H 3.992 0.04 2 582 687 64 ALA N N 123.584 0.4 1 583 687 64 ALA H H 8.129 0.04 1 584 687 64 ALA CA C 52.637 0.4 1 585 687 64 ALA HA H 4.379 0.04 1 586 687 64 ALA CB C 19.122 0.4 1 587 687 64 ALA HB H 1.425 0.04 1 588 688 65 ASP N N 118.924 0.4 1 589 688 65 ASP H H 8.326 0.04 1 590 688 65 ASP CA C 53.972 0.4 1 591 688 65 ASP HA H 4.682 0.04 1 592 688 65 ASP CB C 41.061 0.4 1 593 688 65 ASP HB2 H 2.762 0.04 2 594 689 66 SER N N 116.036 0.4 1 595 689 66 SER H H 8.285 0.04 1 596 689 66 SER CA C 58.352 0.4 1 597 689 66 SER HA H 4.443 0.04 1 598 689 66 SER CB C 63.665 0.4 1 599 689 66 SER HB2 H 3.936 0.04 2 600 690 67 THR N N 115.059 0.4 1 601 690 67 THR H H 8.253 0.04 1 602 690 67 THR CA C 62.556 0.4 1 603 690 67 THR HA H 4.379 0.04 1 604 690 67 THR CB C 69.623 0.4 1 605 690 67 THR HB H 4.319 0.04 1 606 690 67 THR CG2 C 21.531 0.4 1 607 690 67 THR HG2 H 1.272 0.04 1 608 691 68 GLY N N 111.091 0.4 1 609 691 68 GLY H H 8.366 0.04 1 610 691 68 GLY CA C 45.297 0.4 1 611 691 68 GLY HA2 H 4.002 0.04 2 612 692 69 VAL N N 119.280 0.4 1 613 692 69 VAL H H 7.876 0.04 1 614 692 69 VAL CA C 62.068 0.4 1 615 692 69 VAL HA H 4.176 0.04 1 616 692 69 VAL CB C 32.322 0.4 1 617 692 69 VAL HB H 2.092 0.04 1 618 692 69 VAL CG1 C 20.330 0.4 2 619 692 69 VAL HG1 H 0.952 0.04 2 620 693 70 VAL N N 123.601 0.4 1 621 693 70 VAL H H 8.102 0.04 1 622 693 70 VAL CA C 61.886 0.4 1 623 693 70 VAL HA H 4.150 0.04 1 624 693 70 VAL CB C 32.429 0.4 1 625 693 70 VAL HB H 2.089 0.04 1 626 693 70 VAL CG1 C 20.589 0.4 2 627 693 70 VAL HG1 H 0.953 0.04 2 628 694 71 ALA N N 129.048 0.4 1 629 694 71 ALA H H 8.374 0.04 1 630 694 71 ALA CA C 52.125 0.4 1 631 694 71 ALA HA H 4.454 0.04 1 632 694 71 ALA CB C 19.203 0.4 1 633 694 71 ALA HB H 1.423 0.04 1 634 695 72 LYS N N 118.535 0.4 1 635 695 72 LYS H H 7.833 0.04 1 636 695 72 LYS CA C 54.556 0.4 1 637 695 72 LYS HA H 4.827 0.04 1 638 695 72 LYS CB C 35.245 0.4 1 639 695 72 LYS HB3 H 1.767 0.04 2 640 695 72 LYS HB2 H 1.903 0.04 2 641 695 72 LYS CG C 23.901 0.4 1 642 695 72 LYS HG2 H 1.431 0.04 2 643 695 72 LYS CD C 28.831 0.4 1 644 695 72 LYS HD2 H 1.709 0.04 2 645 695 72 LYS CE C 41.956 0.4 1 646 695 72 LYS HE3 H 2.985 0.04 2 647 695 72 LYS HE2 H 3.043 0.04 2 648 696 73 LEU N N 121.834 0.4 1 649 696 73 LEU H H 8.772 0.04 1 650 696 73 LEU CA C 54.973 0.4 1 651 696 73 LEU HA H 4.268 0.04 1 652 696 73 LEU CB C 42.467 0.4 1 653 696 73 LEU HB3 H 1.273 0.04 2 654 696 73 LEU HB2 H 1.939 0.04 2 655 696 73 LEU CG C 26.266 0.4 1 656 696 73 LEU HG H 1.793 0.04 1 657 696 73 LEU CD1 C 26.534 0.4 1 658 696 73 LEU HD1 H 0.793 0.04 2 659 696 73 LEU CD2 C 23.435 0.4 1 660 696 73 LEU HD2 H 0.574 0.04 2 661 697 74 SER N N 121.120 0.4 1 662 697 74 SER H H 8.890 0.04 1 663 697 74 SER CA C 56.165 0.4 1 664 697 74 SER HA H 4.710 0.04 1 665 697 74 SER CB C 62.177 0.4 1 666 697 74 SER HB2 H 4.166 0.04 2 667 698 75 PRO CA C 66.251 0.4 1 668 698 75 PRO HA H 4.350 0.04 1 669 698 75 PRO CB C 31.661 0.4 1 670 698 75 PRO HB3 H 2.014 0.04 2 671 698 75 PRO HB2 H 2.429 0.04 2 672 698 75 PRO CG C 28.119 0.4 1 673 698 75 PRO HG3 H 2.126 0.04 2 674 698 75 PRO HG2 H 2.282 0.04 2 675 698 75 PRO CD C 49.768 0.4 1 676 698 75 PRO HD2 H 3.978 0.04 2 677 699 76 ALA N N 117.914 0.4 1 678 699 76 ALA H H 8.458 0.04 1 679 699 76 ALA CA C 55.000 0.4 1 680 699 76 ALA HA H 4.132 0.04 1 681 699 76 ALA CB C 18.785 0.4 1 682 699 76 ALA HB H 1.391 0.04 1 683 700 77 ASN N N 116.945 0.4 1 684 700 77 ASN H H 7.760 0.04 1 685 700 77 ASN CA C 55.210 0.4 1 686 700 77 ASN HA H 4.763 0.04 1 687 700 77 ASN CB C 38.005 0.4 1 688 700 77 ASN HB3 H 2.479 0.04 2 689 700 77 ASN HB2 H 3.092 0.04 2 690 701 78 GLN N N 124.719 0.4 1 691 701 78 GLN H H 9.480 0.04 1 692 701 78 GLN CA C 59.634 0.4 1 693 701 78 GLN HA H 3.673 0.04 1 694 701 78 GLN CB C 27.114 0.4 1 695 701 78 GLN HB3 H 2.103 0.04 2 696 701 78 GLN HB2 H 2.221 0.04 2 697 701 78 GLN CG C 31.406 0.4 1 698 701 78 GLN HG2 H 2.439 0.04 2 699 701 78 GLN NE2 N 112.158 0.4 1 700 701 78 GLN HE21 H 7.964 0.04 2 701 701 78 GLN HE22 H 6.882 0.04 2 702 702 79 ARG N N 117.069 0.4 1 703 702 79 ARG H H 7.654 0.04 1 704 702 79 ARG CA C 57.561 0.4 1 705 702 79 ARG HA H 4.487 0.04 1 706 702 79 ARG CB C 29.680 0.4 1 707 702 79 ARG HB3 H 1.899 0.04 2 708 702 79 ARG HB2 H 1.963 0.04 2 709 702 79 ARG CG C 27.079 0.4 1 710 702 79 ARG HG2 H 1.752 0.04 2 711 702 79 ARG CD C 42.452 0.4 1 712 702 79 ARG HD3 H 3.306 0.04 2 713 702 79 ARG HD2 H 3.376 0.04 2 714 703 80 LYS N N 119.251 0.4 1 715 703 80 LYS H H 7.636 0.04 1 716 703 80 LYS CA C 60.735 0.4 1 717 703 80 LYS HA H 3.702 0.04 1 718 703 80 LYS CB C 34.002 0.4 1 719 703 80 LYS HB2 H 1.606 0.04 2 720 703 80 LYS CG C 26.953 0.4 1 721 703 80 LYS HG3 H 1.041 0.04 2 722 703 80 LYS HG2 H 1.578 0.04 2 723 703 80 LYS CD C 29.563 0.4 1 724 703 80 LYS HD3 H 0.848 0.04 2 725 703 80 LYS HD2 H 1.308 0.04 2 726 703 80 LYS CE C 42.310 0.4 1 727 703 80 LYS HE2 H 2.797 0.04 2 728 704 81 CYS N N 115.848 0.4 1 729 704 81 CYS H H 8.031 0.04 1 730 704 81 CYS CA C 64.823 0.4 1 731 704 81 CYS HA H 3.687 0.04 1 732 704 81 CYS CB C 26.491 0.4 1 733 704 81 CYS HB3 H 1.257 0.04 2 734 704 81 CYS HB2 H 2.675 0.04 2 735 705 82 GLU N N 118.931 0.4 1 736 705 82 GLU H H 8.286 0.04 1 737 705 82 GLU CA C 59.887 0.4 1 738 705 82 GLU HA H 3.589 0.04 1 739 705 82 GLU CB C 29.067 0.4 1 740 705 82 GLU HB3 H 1.504 0.04 2 741 705 82 GLU HB2 H 2.465 0.04 2 742 705 82 GLU CG C 37.761 0.4 1 743 705 82 GLU HG3 H 1.931 0.04 2 744 705 82 GLU HG2 H 2.503 0.04 2 745 706 83 ARG N N 119.029 0.4 1 746 706 83 ARG H H 7.931 0.04 1 747 706 83 ARG CA C 60.133 0.4 1 748 706 83 ARG HA H 3.748 0.04 1 749 706 83 ARG CB C 30.197 0.4 1 750 706 83 ARG HB3 H 1.936 0.04 2 751 706 83 ARG HB2 H 1.956 0.04 2 752 706 83 ARG CG C 28.140 0.4 1 753 706 83 ARG HG3 H 1.605 0.04 2 754 706 83 ARG HG2 H 1.746 0.04 2 755 706 83 ARG CD C 44.592 0.4 1 756 706 83 ARG HD3 H 3.091 0.04 2 757 706 83 ARG HD2 H 3.216 0.04 2 758 707 84 VAL N N 119.247 0.4 1 759 707 84 VAL H H 7.762 0.04 1 760 707 84 VAL CA C 67.133 0.4 1 761 707 84 VAL HA H 3.562 0.04 1 762 707 84 VAL CB C 31.857 0.4 1 763 707 84 VAL HB H 2.360 0.04 1 764 707 84 VAL CG2 C 23.183 0.4 1 765 707 84 VAL HG2 H 1.146 0.04 2 766 707 84 VAL CG1 C 22.229 0.4 1 767 707 84 VAL HG1 H 1.202 0.04 2 768 708 85 LEU N N 119.414 0.4 1 769 708 85 LEU H H 8.844 0.04 1 770 708 85 LEU CA C 57.561 0.4 1 771 708 85 LEU HA H 4.366 0.04 1 772 708 85 LEU CB C 41.320 0.4 1 773 708 85 LEU HB3 H 1.701 0.04 2 774 708 85 LEU HB2 H 2.145 0.04 2 775 708 85 LEU CG C 26.925 0.4 1 776 708 85 LEU HG H 1.966 0.04 1 777 708 85 LEU CD1 C 27.433 0.4 1 778 708 85 LEU HD1 H 1.197 0.04 2 779 708 85 LEU CD2 C 24.167 0.4 1 780 708 85 LEU HD2 H 1.135 0.04 2 781 709 86 LEU N N 120.156 0.4 1 782 709 86 LEU H H 9.044 0.04 1 783 709 86 LEU CA C 57.977 0.4 1 784 709 86 LEU HA H 4.382 0.04 1 785 709 86 LEU CB C 41.069 0.4 1 786 709 86 LEU HB3 H 1.671 0.04 2 787 709 86 LEU HB2 H 2.159 0.04 2 788 709 86 LEU CG C 26.912 0.4 1 789 709 86 LEU HG H 1.875 0.04 1 790 709 86 LEU CD1 C 27.637 0.4 1 791 709 86 LEU HD1 H 0.883 0.04 2 792 709 86 LEU CD2 C 23.181 0.4 1 793 709 86 LEU HD2 H 1.028 0.04 2 794 710 87 ALA N N 121.264 0.4 1 795 710 87 ALA H H 8.136 0.04 1 796 710 87 ALA CA C 55.439 0.4 1 797 710 87 ALA HA H 4.217 0.04 1 798 710 87 ALA CB C 17.525 0.4 1 799 710 87 ALA HB H 1.760 0.04 1 800 711 88 LEU N N 117.148 0.4 1 801 711 88 LEU H H 8.158 0.04 1 802 711 88 LEU CA C 58.688 0.4 1 803 711 88 LEU HA H 4.401 0.04 1 804 711 88 LEU CB C 41.534 0.4 1 805 711 88 LEU HB3 H 1.601 0.04 2 806 711 88 LEU HB2 H 2.449 0.04 2 807 711 88 LEU CG C 27.225 0.4 1 808 711 88 LEU HG H 2.394 0.04 1 809 711 88 LEU CD1 C 26.018 0.4 1 810 711 88 LEU HD1 H 0.986 0.04 2 811 711 88 LEU CD2 C 23.454 0.4 1 812 711 88 LEU HD2 H 1.265 0.04 2 813 712 89 PHE N N 117.048 0.4 1 814 712 89 PHE H H 8.536 0.04 1 815 712 89 PHE CA C 62.732 0.4 1 816 712 89 PHE HA H 3.971 0.04 1 817 712 89 PHE CB C 40.351 0.4 1 818 712 89 PHE HB3 H 3.274 0.04 2 819 712 89 PHE HB2 H 3.392 0.04 2 820 712 89 PHE CD1 C 130.773 0.4 3 821 712 89 PHE HD1 H 6.836 0.04 3 822 712 89 PHE CE1 C 129.891 0.4 3 823 712 89 PHE HE1 H 6.887 0.04 3 824 713 90 CYS N N 111.682 0.4 1 825 713 90 CYS H H 7.689 0.04 1 826 713 90 CYS CA C 60.573 0.4 1 827 713 90 CYS HA H 4.614 0.04 1 828 713 90 CYS CB C 28.820 0.4 1 829 713 90 CYS HB3 H 2.997 0.04 2 830 713 90 CYS HB2 H 3.203 0.04 2 831 714 91 HIS N N 123.036 0.4 1 832 714 91 HIS H H 7.517 0.04 1 833 714 91 HIS CA C 54.945 0.4 1 834 714 91 HIS HA H 4.939 0.04 1 835 714 91 HIS CB C 31.433 0.4 1 836 714 91 HIS HB3 H 2.997 0.04 2 837 714 91 HIS HB2 H 3.141 0.04 2 838 714 91 HIS CD2 C 118.014 0.4 1 839 714 91 HIS HD2 H 6.232 0.04 1 840 714 91 HIS CE1 C 138.360 0.4 1 841 714 91 HIS HE1 H 6.958 0.04 1 842 715 92 GLU CA C 61.506 0.4 1 843 715 92 GLU HA H 4.052 0.04 1 844 715 92 GLU CB C 26.765 0.4 1 845 715 92 GLU HB3 H 1.986 0.04 2 846 715 92 GLU HB2 H 2.021 0.04 2 847 715 92 GLU CG C 35.652 0.4 1 848 715 92 GLU HG2 H 2.294 0.04 2 849 716 93 PRO CA C 65.272 0.4 1 850 716 93 PRO HA H 4.294 0.04 1 851 716 93 PRO CB C 31.486 0.4 1 852 716 93 PRO HB3 H 1.387 0.04 2 853 716 93 PRO HB2 H 2.300 0.04 2 854 716 93 PRO CG C 28.367 0.4 1 855 716 93 PRO HG3 H 1.506 0.04 2 856 716 93 PRO HG2 H 1.685 0.04 2 857 716 93 PRO CD C 49.067 0.4 1 858 716 93 PRO HD3 H 1.186 0.04 2 859 716 93 PRO HD2 H 3.200 0.04 2 860 717 94 CYS N N 110.309 0.4 1 861 717 94 CYS H H 7.667 0.04 1 862 717 94 CYS CA C 58.484 0.4 1 863 717 94 CYS HA H 4.406 0.04 1 864 717 94 CYS CB C 28.612 0.4 1 865 717 94 CYS HB3 H 3.316 0.04 2 866 717 94 CYS HB2 H 3.471 0.04 2 867 718 95 ARG N N 122.655 0.4 1 868 718 95 ARG H H 7.928 0.04 1 869 718 95 ARG CA C 60.829 0.4 1 870 718 95 ARG HA H 3.740 0.04 1 871 718 95 ARG CB C 28.131 0.4 1 872 718 95 ARG HB3 H 1.577 0.04 2 873 718 95 ARG HB2 H 1.702 0.04 2 874 718 95 ARG CG C 26.955 0.4 1 875 718 95 ARG HG3 H 1.569 0.04 2 876 718 95 ARG HG2 H 1.892 0.04 2 877 718 95 ARG CD C 42.454 0.4 1 878 718 95 ARG HD2 H 3.065 0.04 2 879 719 96 PRO CA C 65.328 0.4 1 880 719 96 PRO HA H 4.456 0.04 1 881 719 96 PRO CB C 31.665 0.4 1 882 719 96 PRO HB3 H 1.597 0.04 2 883 719 96 PRO HB2 H 2.567 0.04 2 884 719 96 PRO CG C 28.138 0.4 1 885 719 96 PRO HG2 H 2.017 0.04 2 886 719 96 PRO CD C 50.951 0.4 1 887 719 96 PRO HD3 H 3.449 0.04 2 888 719 96 PRO HD2 H 3.591 0.04 2 889 720 97 LEU N N 112.429 0.4 1 890 720 97 LEU H H 7.720 0.04 1 891 720 97 LEU CA C 54.707 0.4 1 892 720 97 LEU HA H 4.228 0.04 1 893 720 97 LEU CB C 40.391 0.4 1 894 720 97 LEU HB3 H 1.751 0.04 2 895 720 97 LEU HB2 H 2.020 0.04 2 896 720 97 LEU CG C 28.108 0.4 1 897 720 97 LEU HG H 1.037 0.04 1 898 720 97 LEU CD1 C 26.047 0.4 1 899 720 97 LEU HD1 H 0.717 0.04 2 900 720 97 LEU CD2 C 24.076 0.4 1 901 720 97 LEU HD2 H 0.502 0.04 2 902 721 98 HIS N N 118.891 0.4 1 903 721 98 HIS H H 7.964 0.04 1 904 721 98 HIS CA C 60.901 0.4 1 905 721 98 HIS HA H 4.190 0.04 1 906 721 98 HIS CB C 31.678 0.4 1 907 721 98 HIS HB3 H 3.163 0.04 2 908 721 98 HIS HB2 H 3.383 0.04 2 909 721 98 HIS CD2 C 116.170 0.4 1 910 721 98 HIS HD2 H 6.956 0.04 1 911 721 98 HIS CE1 C 138.569 0.4 1 912 721 98 HIS HE1 H 8.508 0.04 1 913 722 99 GLN N N 116.787 0.4 1 914 722 99 GLN H H 8.090 0.04 1 915 722 99 GLN CA C 55.180 0.4 1 916 722 99 GLN HA H 4.808 0.04 1 917 722 99 GLN CB C 30.690 0.4 1 918 722 99 GLN HB3 H 1.932 0.04 2 919 722 99 GLN HB2 H 2.115 0.04 2 920 722 99 GLN CG C 34.208 0.4 1 921 722 99 GLN HG2 H 2.335 0.04 2 922 723 100 LEU H H 9.277 0.04 1 923 723 100 LEU CA C 55.397 0.4 1 924 723 100 LEU HA H 4.566 0.04 1 925 723 100 LEU CB C 43.862 0.4 1 926 723 100 LEU HB3 H 1.637 0.04 2 927 723 100 LEU HB2 H 1.711 0.04 2 928 723 100 LEU CG C 27.159 0.4 1 929 723 100 LEU HG H 1.692 0.04 1 930 723 100 LEU CD1 C 25.054 0.4 1 931 723 100 LEU HD1 H 1.057 0.04 2 932 723 100 LEU CD2 C 24.578 0.4 1 933 723 100 LEU HD2 H 1.077 0.04 2 934 724 101 ALA N N 123.211 0.4 1 935 724 101 ALA H H 8.577 0.04 1 936 724 101 ALA CA C 52.591 0.4 1 937 724 101 ALA HA H 4.392 0.04 1 938 724 101 ALA CB C 19.262 0.4 1 939 724 101 ALA HB H 1.413 0.04 1 940 725 102 THR N N 112.189 0.4 1 941 725 102 THR H H 8.069 0.04 1 942 725 102 THR CA C 61.802 0.4 1 943 725 102 THR HA H 4.366 0.04 1 944 725 102 THR CB C 69.684 0.4 1 945 725 102 THR HB H 4.318 0.04 1 946 725 102 THR CG2 C 21.572 0.4 1 947 725 102 THR HG2 H 1.219 0.04 1 948 726 103 ASP N N 121.846 0.4 1 949 726 103 ASP H H 8.195 0.04 1 950 726 103 ASP CA C 54.057 0.4 1 951 726 103 ASP HA H 4.681 0.04 1 952 726 103 ASP CB C 41.228 0.4 1 953 726 103 ASP HB2 H 2.749 0.04 2 954 727 104 SER N N 116.230 0.4 1 955 727 104 SER H H 8.260 0.04 1 956 727 104 SER CA C 58.945 0.4 1 957 727 104 SER HA H 4.468 0.04 1 958 727 104 SER CB C 63.856 0.4 1 959 727 104 SER HB2 H 3.897 0.04 2 960 728 105 THR N N 115.362 0.4 1 961 728 105 THR H H 8.205 0.04 1 962 728 105 THR CA C 62.744 0.4 1 963 728 105 THR HA H 4.238 0.04 1 964 728 105 THR CB C 69.490 0.4 1 965 728 105 THR HB H 4.138 0.04 1 966 728 105 THR CG2 C 21.430 0.4 1 967 728 105 THR HG2 H 1.116 0.04 1 968 729 106 PHE N N 121.735 0.4 1 969 729 106 PHE H H 8.047 0.04 1 970 729 106 PHE CA C 57.966 0.4 1 971 729 106 PHE HA H 4.626 0.04 1 972 729 106 PHE CB C 39.633 0.4 1 973 729 106 PHE HB3 H 3.065 0.04 2 974 729 106 PHE HB2 H 3.156 0.04 2 975 729 106 PHE CD1 C 131.297 0.4 3 976 729 106 PHE HD1 H 7.263 0.04 3 977 729 106 PHE HE1 H 7.313 0.04 3 978 730 107 SER N N 116.751 0.4 1 979 730 107 SER H H 7.962 0.04 1 980 730 107 SER CA C 57.921 0.4 1 981 730 107 SER HA H 4.413 0.04 1 982 730 107 SER CB C 63.659 0.4 1 983 730 107 SER HB3 H 3.796 0.04 2 984 730 107 SER HB2 H 3.890 0.04 2 985 731 108 LEU N N 123.373 0.4 1 986 731 108 LEU H H 8.212 0.04 1 987 731 108 LEU CA C 55.650 0.4 1 988 731 108 LEU HA H 4.265 0.04 1 989 731 108 LEU CB C 42.257 0.4 1 990 731 108 LEU HB2 H 1.650 0.04 2 991 731 108 LEU CG C 26.786 0.4 1 992 731 108 LEU HG H 1.381 0.04 1 993 731 108 LEU CD1 C 24.825 0.4 1 994 731 108 LEU HD1 H 0.930 0.04 2 995 731 108 LEU CD2 C 23.462 0.4 1 996 731 108 LEU HD2 H 0.906 0.04 2 997 732 109 ASP N N 118.496 0.4 1 998 732 109 ASP H H 8.172 0.04 1 999 732 109 ASP CA C 54.239 0.4 1 1000 732 109 ASP HA H 4.566 0.04 1 1001 732 109 ASP CB C 41.124 0.4 1 1002 732 109 ASP HB3 H 2.601 0.04 2 1003 732 109 ASP HB2 H 2.700 0.04 2 1004 733 110 GLN N N 119.403 0.4 1 1005 733 110 GLN H H 7.707 0.04 1 1006 733 110 GLN CA C 53.251 0.4 1 1007 733 110 GLN HA H 4.675 0.04 1 1008 733 110 GLN CB C 29.061 0.4 1 1009 733 110 GLN HB3 H 1.894 0.04 2 1010 733 110 GLN HB2 H 2.069 0.04 2 1011 733 110 GLN CG C 33.060 0.4 1 1012 733 110 GLN HG2 H 2.287 0.04 2 1013 734 111 PRO CA C 63.869 0.4 1 1014 734 111 PRO HA H 4.435 0.04 1 1015 734 111 PRO CB C 31.900 0.4 1 1016 734 111 PRO HB3 H 1.968 0.04 2 1017 734 111 PRO HB2 H 2.302 0.04 2 1018 734 111 PRO CG C 27.176 0.4 1 1019 734 111 PRO HG2 H 2.055 0.04 2 1020 734 111 PRO CD C 50.576 0.4 1 1021 734 111 PRO HD3 H 3.671 0.04 2 1022 734 111 PRO HD2 H 3.737 0.04 2 1023 735 112 GLY N N 109.783 0.4 1 1024 735 112 GLY H H 8.510 0.04 1 1025 735 112 GLY CA C 44.954 0.4 1 1026 735 112 GLY HA3 H 3.903 0.04 2 1027 735 112 GLY HA2 H 3.994 0.04 2 1028 736 113 GLY N N 108.485 0.4 1 1029 736 113 GLY H H 8.138 0.04 1 1030 736 113 GLY CA C 44.755 0.4 1 1031 736 113 GLY HA3 H 3.899 0.04 2 1032 736 113 GLY HA2 H 3.964 0.04 2 1033 737 114 THR N N 116.361 0.4 1 1034 737 114 THR H H 7.951 0.04 1 1035 737 114 THR CA C 62.508 0.4 1 1036 737 114 THR HA H 4.189 0.04 1 1037 737 114 THR CB C 69.780 0.4 1 1038 737 114 THR HB H 3.978 0.04 1 1039 737 114 THR CG2 C 22.021 0.4 1 1040 737 114 THR HG2 H 1.165 0.04 1 1041 738 115 LEU N N 125.899 0.4 1 1042 738 115 LEU H H 8.575 0.04 1 1043 738 115 LEU CA C 54.534 0.4 1 1044 738 115 LEU HA H 4.452 0.04 1 1045 738 115 LEU CB C 45.506 0.4 1 1046 738 115 LEU HB3 H 1.291 0.04 2 1047 738 115 LEU HB2 H 1.472 0.04 2 1048 738 115 LEU CG C 27.236 0.4 1 1049 738 115 LEU HG H 1.541 0.04 1 1050 738 115 LEU CD1 C 25.960 0.4 1 1051 738 115 LEU HD1 H 0.859 0.04 2 1052 738 115 LEU CD2 C 24.354 0.4 1 1053 738 115 LEU HD2 H 0.805 0.04 2 1054 739 116 ASP N N 115.416 0.4 1 1055 739 116 ASP H H 6.819 0.04 1 1056 739 116 ASP CA C 52.606 0.4 1 1057 739 116 ASP HA H 4.472 0.04 1 1058 739 116 ASP CB C 42.811 0.4 1 1059 739 116 ASP HB3 H 2.778 0.04 2 1060 739 116 ASP HB2 H 3.161 0.04 2 1061 740 117 LEU N N 115.281 0.4 1 1062 740 117 LEU H H 8.213 0.04 1 1063 740 117 LEU CA C 57.750 0.4 1 1064 740 117 LEU HA H 3.841 0.04 1 1065 740 117 LEU CB C 42.005 0.4 1 1066 740 117 LEU HB3 H 0.639 0.04 2 1067 740 117 LEU HB2 H 1.235 0.04 2 1068 740 117 LEU CG C 26.019 0.4 1 1069 740 117 LEU HG H 1.361 0.04 1 1070 740 117 LEU CD1 C 25.760 0.4 1 1071 740 117 LEU HD1 H 0.172 0.04 2 1072 740 117 LEU CD2 C 23.891 0.4 1 1073 740 117 LEU HD2 H 0.408 0.04 2 1074 741 118 THR N N 116.995 0.4 1 1075 741 118 THR H H 8.152 0.04 1 1076 741 118 THR CA C 68.068 0.4 1 1077 741 118 THR HA H 4.054 0.04 1 1078 741 118 THR CB C 68.392 0.4 1 1079 741 118 THR HB H 4.634 0.04 1 1080 741 118 THR CG2 C 21.313 0.4 1 1081 741 118 THR HG2 H 1.363 0.04 1 1082 742 119 LEU N N 127.180 0.4 1 1083 742 119 LEU H H 8.804 0.04 1 1084 742 119 LEU CA C 58.460 0.4 1 1085 742 119 LEU HA H 4.214 0.04 1 1086 742 119 LEU CB C 42.491 0.4 1 1087 742 119 LEU HB3 H 1.595 0.04 2 1088 742 119 LEU HB2 H 1.853 0.04 2 1089 742 119 LEU CG C 27.447 0.4 1 1090 742 119 LEU HG H 1.858 0.04 1 1091 742 119 LEU CD1 C 26.021 0.4 1 1092 742 119 LEU HD1 H 0.971 0.04 2 1093 742 119 LEU CD2 C 23.612 0.4 1 1094 742 119 LEU HD2 H 0.882 0.04 2 1095 743 120 ILE N N 120.880 0.4 1 1096 743 120 ILE H H 7.884 0.04 1 1097 743 120 ILE CA C 65.546 0.4 1 1098 743 120 ILE HA H 4.101 0.04 1 1099 743 120 ILE CB C 38.693 0.4 1 1100 743 120 ILE HB H 1.840 0.04 1 1101 743 120 ILE CG1 C 29.056 0.4 1 1102 743 120 ILE HG13 H 1.172 0.04 1 1103 743 120 ILE HG12 H 1.881 0.04 1 1104 743 120 ILE CD1 C 14.017 0.4 1 1105 743 120 ILE HD1 H 0.548 0.04 1 1106 743 120 ILE CG2 C 17.283 0.4 1 1107 743 120 ILE HG2 H 1.241 0.04 1 1108 744 121 ARG N N 119.772 0.4 1 1109 744 121 ARG H H 8.792 0.04 1 1110 744 121 ARG CA C 60.369 0.4 1 1111 744 121 ARG HA H 3.896 0.04 1 1112 744 121 ARG CB C 30.241 0.4 1 1113 744 121 ARG HB3 H 2.140 0.04 2 1114 744 121 ARG HB2 H 2.555 0.04 2 1115 744 121 ARG CG C 26.491 0.4 1 1116 744 121 ARG HG3 H 1.562 0.04 2 1117 744 121 ARG HG2 H 1.679 0.04 2 1118 744 121 ARG CD C 43.675 0.4 1 1119 744 121 ARG HD3 H 2.931 0.04 2 1120 744 121 ARG HD2 H 3.187 0.04 2 1121 745 122 ALA N N 120.978 0.4 1 1122 745 122 ALA H H 8.303 0.04 1 1123 745 122 ALA CA C 55.203 0.4 1 1124 745 122 ALA HA H 4.246 0.04 1 1125 745 122 ALA CB C 18.005 0.4 1 1126 745 122 ALA HB H 1.583 0.04 1 1127 746 123 ARG N N 119.408 0.4 1 1128 746 123 ARG H H 8.224 0.04 1 1129 746 123 ARG CA C 59.895 0.4 1 1130 746 123 ARG HA H 4.335 0.04 1 1131 746 123 ARG CB C 29.768 0.4 1 1132 746 123 ARG HB3 H 1.744 0.04 2 1133 746 123 ARG HB2 H 1.877 0.04 2 1134 746 123 ARG CG C 27.619 0.4 1 1135 746 123 ARG HG2 H 0.993 0.04 2 1136 746 123 ARG CD C 42.754 0.4 1 1137 746 123 ARG HD3 H 2.650 0.04 2 1138 746 123 ARG HD2 H 2.806 0.04 2 1139 746 123 ARG NH1 N 83.946 0.4 2 1140 746 123 ARG HH11 H 6.709 0.04 1 1141 747 124 LEU N N 125.115 0.4 1 1142 747 124 LEU H H 9.029 0.04 1 1143 747 124 LEU CA C 57.559 0.4 1 1144 747 124 LEU HA H 4.925 0.04 1 1145 747 124 LEU CB C 42.721 0.4 1 1146 747 124 LEU HB3 H 1.860 0.04 2 1147 747 124 LEU HB2 H 2.192 0.04 2 1148 747 124 LEU CG C 27.190 0.4 1 1149 747 124 LEU HG H 1.855 0.04 1 1150 747 124 LEU CD1 C 26.959 0.4 1 1151 747 124 LEU HD1 H 0.796 0.04 2 1152 747 124 LEU CD2 C 24.349 0.4 1 1153 747 124 LEU HD2 H 0.966 0.04 2 1154 748 125 GLN N N 114.117 0.4 1 1155 748 125 GLN H H 8.418 0.04 1 1156 748 125 GLN CA C 55.664 0.4 1 1157 748 125 GLN HA H 4.444 0.04 1 1158 748 125 GLN CB C 29.301 0.4 1 1159 748 125 GLN HB3 H 2.160 0.04 2 1160 748 125 GLN HB2 H 2.250 0.04 2 1161 748 125 GLN CG C 34.733 0.4 1 1162 748 125 GLN HG3 H 2.465 0.04 2 1163 748 125 GLN HG2 H 2.597 0.04 2 1164 748 125 GLN NE2 N 112.097 0.4 1 1165 748 125 GLN HE21 H 7.363 0.04 2 1166 748 125 GLN HE22 H 7.108 0.04 2 1167 749 126 GLU N N 113.381 0.4 1 1168 749 126 GLU H H 7.978 0.04 1 1169 749 126 GLU CA C 57.789 0.4 1 1170 749 126 GLU HA H 4.156 0.04 1 1171 749 126 GLU CB C 25.906 0.4 1 1172 749 126 GLU HB2 H 2.309 0.04 2 1173 749 126 GLU CG C 37.277 0.4 1 1174 749 126 GLU HG3 H 2.220 0.04 2 1175 749 126 GLU HG2 H 2.298 0.04 2 1176 750 127 LYS N N 116.557 0.4 1 1177 750 127 LYS H H 8.538 0.04 1 1178 750 127 LYS CA C 56.417 0.4 1 1179 750 127 LYS HA H 4.344 0.04 1 1180 750 127 LYS CB C 33.029 0.4 1 1181 750 127 LYS HB3 H 1.698 0.04 2 1182 750 127 LYS HB2 H 2.013 0.04 2 1183 750 127 LYS CG C 25.305 0.4 1 1184 750 127 LYS HG3 H 1.406 0.04 2 1185 750 127 LYS HG2 H 1.483 0.04 2 1186 750 127 LYS CD C 28.249 0.4 1 1187 750 127 LYS HD2 H 1.554 0.04 2 1188 750 127 LYS CE C 42.003 0.4 1 1189 750 127 LYS HE2 H 2.966 0.04 2 1190 751 128 LEU N N 119.986 0.4 1 1191 751 128 LEU H H 6.949 0.04 1 1192 751 128 LEU CA C 53.476 0.4 1 1193 751 128 LEU HA H 4.532 0.04 1 1194 751 128 LEU CB C 45.503 0.4 1 1195 751 128 LEU HB3 H 1.186 0.04 2 1196 751 128 LEU HB2 H 1.408 0.04 2 1197 751 128 LEU CG C 26.947 0.4 1 1198 751 128 LEU HG H 1.422 0.04 1 1199 751 128 LEU CD1 C 24.694 0.4 1 1200 751 128 LEU HD1 H 0.919 0.04 2 1201 751 128 LEU CD2 C 25.099 0.4 1 1202 751 128 LEU HD2 H 0.914 0.04 2 1203 752 129 SER N N 118.455 0.4 1 1204 752 129 SER H H 8.225 0.04 1 1205 752 129 SER CA C 56.129 0.4 1 1206 752 129 SER HA H 4.434 0.04 1 1207 752 129 SER CB C 63.911 0.4 1 1208 752 129 SER HB3 H 3.760 0.04 2 1209 752 129 SER HB2 H 3.795 0.04 2 1210 753 130 PRO CA C 61.355 0.4 1 1211 753 130 PRO HA H 5.026 0.04 1 1212 753 130 PRO CB C 32.831 0.4 1 1213 753 130 PRO HB3 H 2.190 0.04 2 1214 753 130 PRO HB2 H 2.420 0.04 2 1215 753 130 PRO CG C 24.134 0.4 1 1216 753 130 PRO HG3 H 1.864 0.04 2 1217 753 130 PRO HG2 H 1.980 0.04 2 1218 753 130 PRO CD C 50.003 0.4 1 1219 753 130 PRO HD2 H 3.623 0.04 2 1220 754 131 PRO CA C 62.470 0.4 1 1221 754 131 PRO HA H 4.651 0.04 1 1222 754 131 PRO CB C 32.403 0.4 1 1223 754 131 PRO HB3 H 2.151 0.04 2 1224 754 131 PRO HB2 H 2.390 0.04 2 1225 754 131 PRO CG C 27.151 0.4 1 1226 754 131 PRO HG3 H 1.972 0.04 2 1227 754 131 PRO HG2 H 2.000 0.04 2 1228 754 131 PRO CD C 50.194 0.4 1 1229 754 131 PRO HD3 H 3.436 0.04 2 1230 754 131 PRO HD2 H 3.547 0.04 2 1231 755 132 TYR N N 121.321 0.4 1 1232 755 132 TYR H H 9.635 0.04 1 1233 755 132 TYR CA C 60.382 0.4 1 1234 755 132 TYR HA H 4.433 0.04 1 1235 755 132 TYR CB C 38.713 0.4 1 1236 755 132 TYR HB3 H 2.858 0.04 2 1237 755 132 TYR HB2 H 2.964 0.04 2 1238 755 132 TYR CD1 C 131.243 0.4 3 1239 755 132 TYR HD1 H 7.140 0.04 3 1240 755 132 TYR CE1 C 117.778 0.4 3 1241 755 132 TYR HE1 H 7.030 0.04 3 1242 756 133 SER N N 114.917 0.4 1 1243 756 133 SER H H 9.343 0.04 1 1244 756 133 SER CA C 58.776 0.4 1 1245 756 133 SER HA H 4.430 0.04 1 1246 756 133 SER CB C 64.839 0.4 1 1247 756 133 SER HB2 H 3.960 0.04 2 1248 757 134 SER N N 112.021 0.4 1 1249 757 134 SER H H 7.500 0.04 1 1250 757 134 SER CA C 56.158 0.4 1 1251 757 134 SER HA H 4.950 0.04 1 1252 757 134 SER CB C 63.906 0.4 1 1253 757 134 SER HB3 H 3.993 0.04 2 1254 757 134 SER HB2 H 4.258 0.04 2 1255 758 135 PRO CA C 64.159 0.4 1 1256 758 135 PRO HA H 4.132 0.04 1 1257 758 135 PRO CB C 31.649 0.4 1 1258 758 135 PRO HB3 H 1.313 0.04 2 1259 758 135 PRO HB2 H 1.638 0.04 2 1260 758 135 PRO CG C 28.485 0.4 1 1261 758 135 PRO HG3 H 1.500 0.04 2 1262 758 135 PRO HG2 H 2.023 0.04 2 1263 758 135 PRO CD C 50.728 0.4 1 1264 758 135 PRO HD3 H 3.668 0.04 2 1265 758 135 PRO HD2 H 3.928 0.04 2 1266 759 136 GLN N N 116.382 0.4 1 1267 759 136 GLN H H 8.067 0.04 1 1268 759 136 GLN CA C 59.483 0.4 1 1269 759 136 GLN HA H 3.963 0.04 1 1270 759 136 GLN CB C 27.414 0.4 1 1271 759 136 GLN HB3 H 1.969 0.04 2 1272 759 136 GLN HB2 H 2.113 0.04 2 1273 759 136 GLN CG C 34.201 0.4 1 1274 759 136 GLN HG3 H 2.276 0.04 2 1275 759 136 GLN HG2 H 2.476 0.04 2 1276 759 136 GLN NE2 N 111.513 0.4 1 1277 759 136 GLN HE21 H 7.363 0.04 2 1278 759 136 GLN HE22 H 6.783 0.04 2 1279 760 137 GLU N N 121.764 0.4 1 1280 760 137 GLU H H 7.826 0.04 1 1281 760 137 GLU CA C 59.184 0.4 1 1282 760 137 GLU HA H 4.063 0.04 1 1283 760 137 GLU CB C 30.403 0.4 1 1284 760 137 GLU HB3 H 2.277 0.04 2 1285 760 137 GLU HB2 H 2.404 0.04 2 1286 760 137 GLU CG C 36.855 0.4 1 1287 760 137 GLU HG3 H 2.503 0.04 2 1288 760 137 GLU HG2 H 2.625 0.04 2 1289 761 138 PHE N N 120.582 0.4 1 1290 761 138 PHE H H 6.900 0.04 1 1291 761 138 PHE CA C 60.105 0.4 1 1292 761 138 PHE HA H 3.604 0.04 1 1293 761 138 PHE CB C 38.271 0.4 1 1294 761 138 PHE HB3 H 2.218 0.04 2 1295 761 138 PHE HB2 H 3.030 0.04 2 1296 761 138 PHE CD1 C 131.684 0.4 3 1297 761 138 PHE HD1 H 6.964 0.04 3 1298 761 138 PHE CE1 C 129.602 0.4 3 1299 761 138 PHE HE1 H 7.288 0.04 3 1300 761 138 PHE CZ C 128.265 0.4 1 1301 761 138 PHE HZ H 7.077 0.04 1 1302 762 139 ALA N N 120.917 0.4 1 1303 762 139 ALA H H 8.399 0.04 1 1304 762 139 ALA CA C 54.940 0.4 1 1305 762 139 ALA HA H 3.804 0.04 1 1306 762 139 ALA CB C 18.001 0.4 1 1307 762 139 ALA HB H 1.606 0.04 1 1308 763 140 GLN N N 119.041 0.4 1 1309 763 140 GLN H H 8.436 0.04 1 1310 763 140 GLN CA C 58.474 0.4 1 1311 763 140 GLN HA H 4.056 0.04 1 1312 763 140 GLN CB C 28.345 0.4 1 1313 763 140 GLN HB3 H 2.184 0.04 2 1314 763 140 GLN HB2 H 2.322 0.04 2 1315 763 140 GLN CG C 34.481 0.4 1 1316 763 140 GLN HG3 H 2.460 0.04 2 1317 763 140 GLN HG2 H 2.581 0.04 2 1318 763 140 GLN NE2 N 111.278 0.4 1 1319 763 140 GLN HE21 H 7.472 0.04 2 1320 763 140 GLN HE22 H 6.855 0.04 2 1321 764 141 ASP N N 122.985 0.4 1 1322 764 141 ASP H H 7.694 0.04 1 1323 764 141 ASP CA C 57.087 0.4 1 1324 764 141 ASP HA H 4.517 0.04 1 1325 764 141 ASP CB C 39.897 0.4 1 1326 764 141 ASP HB3 H 2.461 0.04 2 1327 764 141 ASP HB2 H 3.004 0.04 2 1328 765 142 VAL N N 119.630 0.4 1 1329 765 142 VAL H H 7.431 0.04 1 1330 765 142 VAL CA C 66.489 0.4 1 1331 765 142 VAL HA H 2.740 0.04 1 1332 765 142 VAL CB C 30.729 0.4 1 1333 765 142 VAL HB H 1.009 0.04 1 1334 765 142 VAL CG2 C 20.616 0.4 1 1335 765 142 VAL HG2 H -0.795 0.04 2 1336 765 142 VAL CG1 C 21.248 0.4 1 1337 765 142 VAL HG1 H -0.078 0.04 2 1338 766 143 GLY N N 104.089 0.4 1 1339 766 143 GLY H H 8.089 0.04 1 1340 766 143 GLY CA C 47.271 0.4 1 1341 766 143 GLY HA3 H 3.783 0.04 2 1342 766 143 GLY HA2 H 3.870 0.04 2 1343 767 144 ARG N N 123.406 0.4 1 1344 767 144 ARG H H 8.270 0.04 1 1345 767 144 ARG CA C 59.627 0.4 1 1346 767 144 ARG HA H 4.026 0.04 1 1347 767 144 ARG CB C 30.003 0.4 1 1348 767 144 ARG HB3 H 1.928 0.04 2 1349 767 144 ARG HB2 H 1.990 0.04 2 1350 767 144 ARG CG C 28.310 0.4 1 1351 767 144 ARG HG3 H 1.602 0.04 2 1352 767 144 ARG HG2 H 1.816 0.04 2 1353 767 144 ARG CD C 43.671 0.4 1 1354 767 144 ARG HD2 H 3.249 0.04 2 1355 768 145 MET N N 121.310 0.4 1 1356 768 145 MET H H 8.053 0.04 1 1357 768 145 MET CA C 58.727 0.4 1 1358 768 145 MET HA H 3.932 0.04 1 1359 768 145 MET CB C 31.536 0.4 1 1360 768 145 MET HB3 H 1.601 0.04 2 1361 768 145 MET HB2 H 2.342 0.04 2 1362 768 145 MET CG C 30.454 0.4 1 1363 768 145 MET HG3 H 1.910 0.04 2 1364 768 145 MET HG2 H 2.360 0.04 2 1365 768 145 MET CE C 17.051 0.4 1 1366 768 145 MET HE H 1.309 0.04 1 1367 769 146 PHE N N 117.125 0.4 1 1368 769 146 PHE H H 8.005 0.04 1 1369 769 146 PHE CA C 59.441 0.4 1 1370 769 146 PHE HA H 4.582 0.04 1 1371 769 146 PHE CB C 37.558 0.4 1 1372 769 146 PHE HB3 H 3.208 0.04 2 1373 769 146 PHE HB2 H 3.278 0.04 2 1374 769 146 PHE CD1 C 129.514 0.4 3 1375 769 146 PHE HD1 H 7.130 0.04 3 1376 769 146 PHE CE1 C 130.326 0.4 3 1377 769 146 PHE HE1 H 6.950 0.04 3 1378 769 146 PHE CZ C 127.564 0.4 1 1379 769 146 PHE HZ H 6.786 0.04 1 1380 770 147 LYS N N 119.226 0.4 1 1381 770 147 LYS H H 8.078 0.04 1 1382 770 147 LYS CA C 59.479 0.4 1 1383 770 147 LYS HA H 4.153 0.04 1 1384 770 147 LYS CB C 32.336 0.4 1 1385 770 147 LYS HB2 H 2.037 0.04 2 1386 770 147 LYS CG C 25.526 0.4 1 1387 770 147 LYS HG3 H 1.536 0.04 2 1388 770 147 LYS HG2 H 1.708 0.04 2 1389 770 147 LYS CD C 29.048 0.4 1 1390 770 147 LYS HD2 H 1.735 0.04 2 1391 770 147 LYS CE C 41.960 0.4 1 1392 770 147 LYS HE2 H 3.013 0.04 2 1393 771 148 GLN N N 118.870 0.4 1 1394 771 148 GLN H H 8.338 0.04 1 1395 771 148 GLN CA C 58.440 0.4 1 1396 771 148 GLN HA H 4.140 0.04 1 1397 771 148 GLN CB C 28.382 0.4 1 1398 771 148 GLN HB3 H 2.132 0.04 2 1399 771 148 GLN HB2 H 2.382 0.04 2 1400 771 148 GLN CG C 34.101 0.4 1 1401 771 148 GLN HG3 H 2.406 0.04 2 1402 771 148 GLN HG2 H 2.677 0.04 2 1403 771 148 GLN NE2 N 109.214 0.4 1 1404 771 148 GLN HE21 H 7.152 0.04 2 1405 771 148 GLN HE22 H 6.994 0.04 2 1406 772 149 PHE N N 120.162 0.4 1 1407 772 149 PHE H H 8.411 0.04 1 1408 772 149 PHE CA C 60.460 0.4 1 1409 772 149 PHE HA H 4.433 0.04 1 1410 772 149 PHE CB C 39.428 0.4 1 1411 772 149 PHE HB3 H 3.281 0.04 2 1412 772 149 PHE HB2 H 3.309 0.04 2 1413 772 149 PHE CD1 C 131.027 0.4 3 1414 772 149 PHE HD1 H 7.271 0.04 3 1415 772 149 PHE CE1 C 130.819 0.4 3 1416 772 149 PHE HE1 H 6.950 0.04 3 1417 772 149 PHE CZ C 130.244 0.4 1 1418 772 149 PHE HZ H 6.940 0.04 1 1419 773 150 ASN N N 117.836 0.4 1 1420 773 150 ASN H H 8.279 0.04 1 1421 773 150 ASN HA H 4.375 0.04 1 1422 773 150 ASN CB C 38.977 0.4 1 1423 773 150 ASN HB3 H 2.877 0.04 2 1424 773 150 ASN HB2 H 2.993 0.04 2 1425 773 150 ASN ND2 N 111.924 0.4 1 1426 773 150 ASN HD21 H 7.611 0.04 2 1427 773 150 ASN HD22 H 6.844 0.04 2 1428 774 151 LYS N N 118.045 0.4 1 1429 774 151 LYS H H 7.648 0.04 1 1430 774 151 LYS CA C 57.563 0.4 1 1431 774 151 LYS HA H 4.225 0.04 1 1432 774 151 LYS CB C 32.333 0.4 1 1433 774 151 LYS HB3 H 1.935 0.04 2 1434 774 151 LYS HB2 H 2.013 0.04 2 1435 774 151 LYS CG C 24.785 0.4 1 1436 774 151 LYS HG2 H 1.545 0.04 2 1437 774 151 LYS CD C 28.776 0.4 1 1438 774 151 LYS HD2 H 1.734 0.04 2 1439 774 151 LYS CE C 41.989 0.4 1 1440 774 151 LYS HE2 H 3.018 0.04 2 1441 775 152 LEU N N 119.031 0.4 1 1442 775 152 LEU H H 7.825 0.04 1 1443 775 152 LEU CA C 55.990 0.4 1 1444 775 152 LEU HA H 4.270 0.04 1 1445 775 152 LEU CB C 42.487 0.4 1 1446 775 152 LEU HB3 H 1.610 0.04 2 1447 775 152 LEU HB2 H 1.788 0.04 2 1448 775 152 LEU CG C 27.050 0.4 1 1449 775 152 LEU HG H 1.650 0.04 1 1450 775 152 LEU CD1 C 25.261 0.4 1 1451 775 152 LEU HD1 H 0.945 0.04 2 1452 775 152 LEU CD2 C 23.357 0.4 1 1453 775 152 LEU HD2 H 0.903 0.04 2 1454 776 153 THR N N 110.107 0.4 1 1455 776 153 THR H H 7.525 0.04 1 1456 776 153 THR CA C 61.535 0.4 1 1457 776 153 THR HA H 4.332 0.04 1 1458 776 153 THR CB C 69.570 0.4 1 1459 776 153 THR HB H 4.217 0.04 1 1460 776 153 THR CG2 C 21.209 0.4 1 1461 776 153 THR HG2 H 0.983 0.04 1 1462 777 154 GLU N N 122.427 0.4 1 1463 777 154 GLU H H 8.027 0.04 1 1464 777 154 GLU CA C 57.720 0.4 1 1465 777 154 GLU HA H 4.216 0.04 1 1466 777 154 GLU CB C 29.977 0.4 1 1467 777 154 GLU HB3 H 2.013 0.04 2 1468 777 154 GLU HB2 H 2.105 0.04 2 1469 777 154 GLU CG C 36.135 0.4 1 1470 777 154 GLU HG2 H 2.296 0.04 2 1471 778 155 ASP N N 119.283 0.4 1 1472 778 155 ASP H H 8.372 0.04 1 1473 778 155 ASP CA C 54.709 0.4 1 1474 778 155 ASP HA H 4.602 0.04 1 1475 778 155 ASP CB C 40.600 0.4 1 1476 778 155 ASP HB3 H 2.707 0.04 2 1477 778 155 ASP HB2 H 2.784 0.04 2 1478 779 156 LYS N N 120.684 0.4 1 1479 779 156 LYS H H 8.068 0.04 1 1480 779 156 LYS CA C 56.388 0.4 1 1481 779 156 LYS HA H 4.333 0.04 1 1482 779 156 LYS CB C 32.814 0.4 1 1483 779 156 LYS HB3 H 1.824 0.04 2 1484 779 156 LYS HB2 H 1.935 0.04 2 1485 779 156 LYS CG C 24.735 0.4 1 1486 779 156 LYS HG2 H 1.449 0.04 2 1487 779 156 LYS CD C 28.793 0.4 1 1488 779 156 LYS HD2 H 1.700 0.04 2 1489 779 156 LYS CE C 41.952 0.4 1 1490 779 156 LYS HE2 H 3.025 0.04 2 1491 780 157 ALA N N 123.182 0.4 1 1492 780 157 ALA H H 8.197 0.04 1 1493 780 157 ALA CA C 52.591 0.4 1 1494 780 157 ALA HA H 4.337 0.04 1 1495 780 157 ALA CB C 19.186 0.4 1 1496 780 157 ALA HB H 1.410 0.04 1 1497 781 158 ASP N N 118.794 0.4 1 1498 781 158 ASP H H 8.222 0.04 1 1499 781 158 ASP CA C 54.003 0.4 1 1500 781 158 ASP HA H 4.673 0.04 1 1501 781 158 ASP CB C 41.075 0.4 1 1502 781 158 ASP HB3 H 2.734 0.04 2 1503 781 158 ASP HB2 H 2.787 0.04 2 1504 782 159 VAL N N 120.713 0.4 1 1505 782 159 VAL H H 8.039 0.04 1 1506 782 159 VAL CA C 63.898 0.4 1 1507 782 159 VAL HA H 4.028 0.04 1 1508 782 159 VAL CB C 32.181 0.4 1 1509 782 159 VAL HB H 2.205 0.04 1 1510 782 159 VAL CG2 C 20.900 0.4 1 1511 782 159 VAL HG2 H 1.010 0.04 2 1512 782 159 VAL CG1 C 21.119 0.4 1 1513 782 159 VAL HG1 H 1.003 0.04 2 1514 783 160 GLN N N 120.756 0.4 1 1515 783 160 GLN H H 8.370 0.04 1 1516 783 160 GLN CA C 57.563 0.4 1 1517 783 160 GLN HA H 4.219 0.04 1 1518 783 160 GLN CB C 28.410 0.4 1 1519 783 160 GLN HB2 H 2.149 0.04 2 1520 783 160 GLN CG C 33.995 0.4 1 1521 783 160 GLN HG2 H 2.467 0.04 2 1522 783 160 GLN NE2 N 112.214 0.4 1 1523 783 160 GLN HE21 H 7.551 0.04 2 1524 783 160 GLN HE22 H 6.826 0.04 2 1525 784 161 SER N N 116.111 0.4 1 1526 784 161 SER H H 8.190 0.04 1 1527 784 161 SER CA C 60.089 0.4 1 1528 784 161 SER HA H 4.361 0.04 1 1529 784 161 SER CB C 62.955 0.4 1 1530 784 161 SER HB3 H 3.958 0.04 2 1531 784 161 SER HB2 H 4.027 0.04 2 1532 785 162 ILE N N 122.105 0.4 1 1533 785 162 ILE H H 8.014 0.04 1 1534 785 162 ILE CA C 62.963 0.4 1 1535 785 162 ILE HA H 3.986 0.04 1 1536 785 162 ILE CB C 37.568 0.4 1 1537 785 162 ILE HB H 2.055 0.04 1 1538 785 162 ILE CG1 C 28.282 0.4 1 1539 785 162 ILE HG13 H 1.371 0.04 1 1540 785 162 ILE HG12 H 1.553 0.04 1 1541 785 162 ILE CD1 C 13.056 0.4 1 1542 785 162 ILE HD1 H 0.886 0.04 1 1543 785 162 ILE CG2 C 17.825 0.4 1 1544 785 162 ILE HG2 H 0.994 0.04 1 1545 786 163 ILE N N 122.150 0.4 1 1546 786 163 ILE H H 7.913 0.04 1 1547 786 163 ILE CA C 64.074 0.4 1 1548 786 163 ILE HA H 3.947 0.04 1 1549 786 163 ILE CB C 37.561 0.4 1 1550 786 163 ILE HB H 1.908 0.04 1 1551 786 163 ILE CG1 C 28.621 0.4 1 1552 786 163 ILE HG13 H 1.272 0.04 1 1553 786 163 ILE HG12 H 1.629 0.04 1 1554 786 163 ILE CD1 C 12.789 0.4 1 1555 786 163 ILE HD1 H 0.894 0.04 1 1556 786 163 ILE CG2 C 17.091 0.4 1 1557 786 163 ILE HG2 H 0.950 0.04 1 1558 787 164 GLY N N 107.177 0.4 1 1559 787 164 GLY H H 8.057 0.04 1 1560 787 164 GLY CA C 46.938 0.4 1 1561 787 164 GLY HA3 H 3.907 0.04 2 1562 787 164 GLY HA2 H 4.007 0.04 2 1563 788 165 LEU N N 123.590 0.4 1 1564 788 165 LEU H H 7.676 0.04 1 1565 788 165 LEU CA C 57.738 0.4 1 1566 788 165 LEU HA H 4.052 0.04 1 1567 788 165 LEU CB C 40.833 0.4 1 1568 788 165 LEU HB2 H 1.533 0.04 2 1569 788 165 LEU CG C 26.470 0.4 1 1570 788 165 LEU HG H 1.805 0.04 1 1571 788 165 LEU CD1 C 25.579 0.4 1 1572 788 165 LEU HD1 H 0.864 0.04 2 1573 788 165 LEU CD2 C 23.651 0.4 1 1574 788 165 LEU HD2 H 0.804 0.04 2 1575 789 166 GLN N N 119.114 0.4 1 1576 789 166 GLN H H 7.956 0.04 1 1577 789 166 GLN CA C 59.445 0.4 1 1578 789 166 GLN HA H 3.844 0.04 1 1579 789 166 GLN CB C 27.826 0.4 1 1580 789 166 GLN HB3 H 2.106 0.04 2 1581 789 166 GLN HB2 H 2.197 0.04 2 1582 789 166 GLN CG C 33.990 0.4 1 1583 789 166 GLN HG2 H 2.277 0.04 2 1584 789 166 GLN NE2 N 110.017 0.4 1 1585 789 166 GLN HE21 H 7.598 0.04 2 1586 789 166 GLN HE22 H 6.724 0.04 2 1587 790 167 ARG N N 118.851 0.4 1 1588 790 167 ARG H H 8.387 0.04 1 1589 790 167 ARG CA C 58.942 0.4 1 1590 790 167 ARG HA H 4.191 0.04 1 1591 790 167 ARG CB C 29.829 0.4 1 1592 790 167 ARG HB2 H 1.998 0.04 2 1593 790 167 ARG CG C 27.374 0.4 1 1594 790 167 ARG HG3 H 1.765 0.04 2 1595 790 167 ARG HG2 H 1.821 0.04 2 1596 790 167 ARG CD C 42.962 0.4 1 1597 790 167 ARG HD2 H 3.254 0.04 2 1598 791 168 PHE N N 122.408 0.4 1 1599 791 168 PHE H H 8.127 0.04 1 1600 791 168 PHE CA C 61.976 0.4 1 1601 791 168 PHE HA H 4.164 0.04 1 1602 791 168 PHE CB C 38.894 0.4 1 1603 791 168 PHE HB2 H 3.226 0.04 2 1604 791 168 PHE CD1 C 130.635 0.4 3 1605 791 168 PHE HD1 H 6.962 0.04 3 1606 791 168 PHE CE1 C 130.651 0.4 3 1607 791 168 PHE HE1 H 7.143 0.04 3 1608 791 168 PHE CZ C 128.678 0.4 1 1609 791 168 PHE HZ H 6.907 0.04 1 1610 792 169 PHE N N 119.223 0.4 1 1611 792 169 PHE H H 8.500 0.04 1 1612 792 169 PHE CA C 61.093 0.4 1 1613 792 169 PHE HA H 4.053 0.04 1 1614 792 169 PHE CB C 39.182 0.4 1 1615 792 169 PHE HB2 H 3.471 0.04 2 1616 792 169 PHE CD1 C 130.873 0.4 3 1617 792 169 PHE HD1 H 7.261 0.04 3 1618 792 169 PHE CE1 C 130.685 0.4 3 1619 792 169 PHE HE1 H 6.957 0.04 3 1620 792 169 PHE CZ C 129.208 0.4 1 1621 792 169 PHE HZ H 6.965 0.04 1 1622 793 170 GLU N N 119.089 0.4 1 1623 793 170 GLU H H 8.718 0.04 1 1624 793 170 GLU CA C 59.843 0.4 1 1625 793 170 GLU HA H 3.483 0.04 1 1626 793 170 GLU CB C 29.372 0.4 1 1627 793 170 GLU HB3 H 2.073 0.04 2 1628 793 170 GLU HB2 H 2.206 0.04 2 1629 793 170 GLU CG C 36.586 0.4 1 1630 793 170 GLU HG3 H 2.247 0.04 2 1631 793 170 GLU HG2 H 2.582 0.04 2 1632 794 171 THR N N 115.081 0.4 1 1633 794 171 THR H H 8.205 0.04 1 1634 794 171 THR CA C 66.661 0.4 1 1635 794 171 THR HA H 3.935 0.04 1 1636 794 171 THR CB C 68.604 0.4 1 1637 794 171 THR HB H 4.161 0.04 1 1638 794 171 THR CG2 C 21.527 0.4 1 1639 794 171 THR HG2 H 1.185 0.04 1 1640 795 172 ARG N N 120.165 0.4 1 1641 795 172 ARG H H 7.776 0.04 1 1642 795 172 ARG CA C 57.535 0.4 1 1643 795 172 ARG HA H 4.030 0.04 1 1644 795 172 ARG CB C 29.886 0.4 1 1645 795 172 ARG HB2 H 1.907 0.04 2 1646 795 172 ARG HG2 H 0.906 0.04 2 1647 795 172 ARG HD2 H 3.212 0.04 2 1648 796 173 MET N N 120.347 0.4 1 1649 796 173 MET H H 8.503 0.04 1 1650 796 173 MET CA C 57.453 0.4 1 1651 796 173 MET HA H 4.383 0.04 1 1652 796 173 MET CB C 30.469 0.4 1 1653 796 173 MET HB3 H 1.715 0.04 2 1654 796 173 MET HB2 H 1.857 0.04 2 1655 796 173 MET HG2 H 1.637 0.04 2 1656 796 173 MET CE C 17.805 0.4 1 1657 796 173 MET HE H 1.608 0.04 1 1658 797 174 ASN N N 119.200 0.4 1 1659 797 174 ASN H H 8.351 0.04 1 1660 797 174 ASN CA C 55.851 0.4 1 1661 797 174 ASN HA H 4.510 0.04 1 1662 797 174 ASN CB C 38.213 0.4 1 1663 797 174 ASN HB3 H 2.813 0.04 2 1664 797 174 ASN HB2 H 2.893 0.04 2 1665 797 174 ASN ND2 N 111.077 0.4 1 1666 797 174 ASN HD21 H 7.442 0.04 2 1667 797 174 ASN HD22 H 6.907 0.04 2 1668 798 175 GLU N N 119.589 0.4 1 1669 798 175 GLU H H 7.896 0.04 1 1670 798 175 GLU CA C 59.033 0.4 1 1671 798 175 GLU HA H 3.967 0.04 1 1672 798 175 GLU CB C 29.296 0.4 1 1673 798 175 GLU HB3 H 2.050 0.04 2 1674 798 175 GLU HB2 H 2.133 0.04 2 1675 798 175 GLU CG C 36.136 0.4 1 1676 798 175 GLU HG3 H 2.229 0.04 2 1677 798 175 GLU HG2 H 2.464 0.04 2 1678 799 176 ALA N N 116.937 0.4 1 1679 799 176 ALA H H 8.030 0.04 1 1680 799 176 ALA CA C 54.179 0.4 1 1681 799 176 ALA HA H 4.085 0.04 1 1682 799 176 ALA CB C 19.432 0.4 1 1683 799 176 ALA HB H 1.179 0.04 1 1684 800 177 PHE N N 112.840 0.4 1 1685 800 177 PHE H H 8.544 0.04 1 1686 800 177 PHE CA C 59.182 0.4 1 1687 800 177 PHE HA H 4.515 0.04 1 1688 800 177 PHE CB C 39.642 0.4 1 1689 800 177 PHE HB3 H 3.086 0.04 2 1690 800 177 PHE HB2 H 3.292 0.04 2 1691 800 177 PHE CD1 C 131.906 0.4 3 1692 800 177 PHE HD1 H 7.622 0.04 3 1693 800 177 PHE CE1 C 129.996 0.4 3 1694 800 177 PHE HE1 H 7.331 0.04 3 1695 800 177 PHE CZ C 130.276 0.4 1 1696 800 177 PHE HZ H 7.131 0.04 1 1697 801 178 GLY N N 110.339 0.4 1 1698 801 178 GLY H H 7.974 0.04 1 1699 801 178 GLY CA C 45.607 0.4 1 1700 801 178 GLY HA3 H 3.988 0.04 2 1701 801 178 GLY HA2 H 4.031 0.04 2 1702 802 179 ASP N N 119.627 0.4 1 1703 802 179 ASP H H 8.185 0.04 1 1704 802 179 ASP CA C 53.949 0.4 1 1705 802 179 ASP HA H 4.679 0.04 1 1706 802 179 ASP CB C 41.070 0.4 1 1707 802 179 ASP HB2 H 2.753 0.04 2 1708 803 180 THR N N 113.769 0.4 1 1709 803 180 THR H H 8.037 0.04 1 1710 803 180 THR CA C 61.885 0.4 1 1711 803 180 THR HA H 4.331 0.04 1 1712 803 180 THR CB C 70.002 0.4 1 1713 803 180 THR HB H 4.177 0.04 1 1714 803 180 THR CG2 C 21.295 0.4 1 1715 803 180 THR HG2 H 1.082 0.04 1 1716 804 181 LYS N N 122.277 0.4 1 1717 804 181 LYS H H 8.198 0.04 1 1718 804 181 LYS CA C 56.652 0.4 1 1719 804 181 LYS HA H 4.151 0.04 1 1720 804 181 LYS CB C 32.377 0.4 1 1721 804 181 LYS HB2 H 1.673 0.04 2 1722 804 181 LYS CG C 24.507 0.4 1 1723 804 181 LYS HG2 H 1.246 0.04 2 1724 804 181 LYS CD C 28.728 0.4 1 1725 804 181 LYS HD2 H 1.607 0.04 2 1726 804 181 LYS CE C 41.819 0.4 1 1727 804 181 LYS HE2 H 2.929 0.04 2 1728 805 182 PHE N N 119.784 0.4 1 1729 805 182 PHE H H 8.206 0.04 1 1730 805 182 PHE CA C 57.256 0.4 1 1731 805 182 PHE HA H 4.664 0.04 1 1732 805 182 PHE CB C 38.774 0.4 1 1733 805 182 PHE HB3 H 2.862 0.04 2 1734 805 182 PHE HB2 H 2.930 0.04 2 1735 805 182 PHE CD1 C 131.033 0.4 3 1736 805 182 PHE HD1 H 7.127 0.04 3 1737 805 182 PHE CE1 C 129.591 0.4 3 1738 805 182 PHE HE1 H 6.977 0.04 3 1739 805 182 PHE CZ C 128.678 0.4 1 1740 805 182 PHE HZ H 7.146 0.04 1 1741 806 183 SER N N 123.742 0.4 1 1742 806 183 SER H H 8.121 0.04 1 1743 806 183 SER CA C 58.203 0.4 1 1744 806 183 SER HA H 4.361 0.04 1 1745 806 183 SER CB C 63.764 0.4 1 1746 806 183 SER HB3 H 3.793 0.04 2 1747 806 183 SER HB2 H 3.839 0.04 2 1748 807 184 ALA N N 125.704 0.4 1 1749 807 184 ALA H H 8.286 0.04 1 1750 807 184 ALA CA C 52.574 0.4 1 1751 807 184 ALA HA H 4.360 0.04 1 1752 807 184 ALA CB C 18.947 0.4 1 1753 807 184 ALA HB H 1.379 0.04 1 1754 808 185 VAL N N 118.271 0.4 1 1755 808 185 VAL H H 7.958 0.04 1 1756 808 185 VAL CA C 62.216 0.4 1 1757 808 185 VAL HA H 4.151 0.04 1 1758 808 185 VAL CB C 32.178 0.4 1 1759 808 185 VAL HB H 2.095 0.04 1 1760 808 185 VAL CG1 C 20.589 0.4 2 1761 808 185 VAL HG1 H 0.948 0.04 2 1762 809 186 LEU N N 125.280 0.4 1 1763 809 186 LEU H H 8.195 0.04 1 1764 809 186 LEU CA C 54.474 0.4 1 1765 809 186 LEU HA H 4.430 0.04 1 1766 809 186 LEU CB C 42.303 0.4 1 1767 809 186 LEU HB2 H 1.653 0.04 2 1768 809 186 LEU CG C 27.229 0.4 1 1769 809 186 LEU HG H 1.594 0.04 1 1770 809 186 LEU CD1 C 25.219 0.4 1 1771 809 186 LEU HD1 H 0.947 0.04 2 1772 809 186 LEU CD2 C 23.588 0.4 1 1773 809 186 LEU HD2 H 0.900 0.04 2 1774 810 187 VAL N N 120.937 0.4 1 1775 810 187 VAL H H 7.985 0.04 1 1776 810 187 VAL CA C 62.004 0.4 1 1777 810 187 VAL HA H 4.155 0.04 1 1778 810 187 VAL CB C 32.602 0.4 1 1779 810 187 VAL HB H 2.084 0.04 1 1780 810 187 VAL CG2 C 18.312 0.4 2 1781 810 187 VAL CG1 C 20.883 0.4 1 1782 810 187 VAL HG1 H 0.954 0.04 2 1783 811 188 GLU N N 126.353 0.4 1 1784 811 188 GLU H H 8.292 0.04 1 1785 811 188 GLU CA C 54.162 0.4 1 1786 811 188 GLU HA H 4.609 0.04 1 1787 811 188 GLU CB C 29.775 0.4 1 1788 811 188 GLU HB3 H 1.909 0.04 2 1789 811 188 GLU HB2 H 2.079 0.04 2 1790 811 188 GLU CG C 33.296 0.4 1 1791 811 188 GLU HG2 H 2.288 0.04 2 1792 812 189 PRO CA C 64.791 0.4 1 1793 812 189 PRO HA H 4.241 0.04 1 1794 812 189 PRO CB C 32.105 0.4 1 1795 812 189 PRO HB3 H 1.928 0.04 2 1796 812 189 PRO HB2 H 2.230 0.04 2 1797 812 189 PRO CG C 26.943 0.4 1 1798 812 189 PRO HG3 H 2.004 0.04 2 1799 812 189 PRO HG2 H 2.010 0.04 2 1800 812 189 PRO CD C 50.424 0.4 1 1801 812 189 PRO HD3 H 3.689 0.04 2 1802 812 189 PRO HD2 H 3.771 0.04 2 stop_ save_