data_11504 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11504 _Entry.Title ; Structure of SPOC domain of the human transcriptional corepressor SHARP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-22 _Entry.Accession_date 2012-05-25 _Entry.Last_release_date 2013-12-02 _Entry.Original_release_date 2013-12-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Suzuka Mikami . . . 11504 2 Teppei Kanaba . . . 11504 3 Masaki Mishima . . . 11504 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11504 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SHARP . 11504 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11504 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 723 11504 '15N chemical shifts' 163 11504 '1H chemical shifts' 1137 11504 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-12-02 2012-05-22 original author . 11504 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11504 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24268649 _Citation.Full_citation . _Citation.Title 'Structural Insights into the Recruitment of SMRT by the Corepressor SHARP under Phosphorylative Regulation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Suzuka Mikami . . . 11504 1 2 Teppei Kanaba . . . 11504 1 3 Masaki Mishima . . . 11504 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11504 _Assembly.ID 1 _Assembly.Name 'SPOC domain of the human transcriptional corepressor SHARP in complex with SMRT' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $SHARP A . yes native no no . . . 11504 1 2 entity_2 2 $SMRT B . yes native no no . . . 11504 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SHARP _Entity.Sf_category entity _Entity.Sf_framecode SHARP _Entity.Entry_ID 11504 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SHARP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VDMVQLLKKYPIVWQGLLAL KNDTAAVQLHFVSGNNVLAH RSLPLSEGGPPLRIAQRMRL EATQLEGVARRMTVETDYCL LLALPCGRDQEDVVSQTESL KAAFITYLQAKQAAGIINVP NPGSNQPAYVLQIFPPCEFS ESHLSRLAPDLLASISNISP HLMIVIASV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 169 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18471.535 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1OW1 . "Crystal Structure Of The Spoc Domain Of The Human Transcriptional Corepressor, Sharp" . . . . . 100.00 195 100.00 100.00 3.52e-118 . . . . 11504 1 2 no PDB 2RT5 . "Structural Insights Into The Recruitment Of Smrt By The Co-repressor Sharp Under Phosphorylative Regulation" . . . . . 100.00 169 100.00 100.00 8.48e-119 . . . . 11504 1 3 no DBJ BAA76773 . "KIAA0929 protein [Homo sapiens]" . . . . . 100.00 1663 100.00 100.00 3.28e-111 . . . . 11504 1 4 no DBJ BAB32786 . "Msx-2 interacting nuclear target protein [Mus musculus]" . . . . . 100.00 3551 99.41 100.00 2.80e-108 . . . . 11504 1 5 no DBJ BAG10400 . "spen homolog, transcriptional regulator [synthetic construct]" . . . . . 100.00 3623 100.00 100.00 1.81e-108 . . . . 11504 1 6 no EMBL CAB51072 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 3261 100.00 100.00 5.58e-109 . . . . 11504 1 7 no GB AAD55931 . "Msx2 interacting nuclear target protein [Mus musculus]" . . . . . 100.00 3576 99.41 100.00 2.17e-108 . . . . 11504 1 8 no GB AAI72907 . "spen homolog, transcriptional regulator [synthetic construct]" . . . . . 100.00 1513 100.00 100.00 2.76e-111 . . . . 11504 1 9 no GB AAK52750 . "nuclear receptor transcription cofactor [Homo sapiens]" . . . . . 100.00 3664 100.00 100.00 8.20e-109 . . . . 11504 1 10 no GB EAW51756 . "spen homolog, transcriptional regulator (Drosophila) [Homo sapiens]" . . . . . 100.00 3664 100.00 100.00 8.20e-109 . . . . 11504 1 11 no GB EDL80993 . "rCG30673 [Rattus norvegicus]" . . . . . 100.00 3563 99.41 100.00 1.93e-108 . . . . 11504 1 12 no REF NP_001258424 . "msx2-interacting protein [Rattus norvegicus]" . . . . . 100.00 3611 99.41 100.00 2.99e-108 . . . . 11504 1 13 no REF NP_055816 . "msx2-interacting protein [Homo sapiens]" . . . . . 100.00 3664 100.00 100.00 8.20e-109 . . . . 11504 1 14 no REF NP_062737 . "msx2-interacting protein [Mus musculus]" . . . . . 100.00 3643 99.41 100.00 3.38e-108 . . . . 11504 1 15 no REF XP_002694185 . "PREDICTED: msx2-interacting protein isoform X1 [Bos taurus]" . . . . . 100.00 3652 99.41 100.00 3.20e-108 . . . . 11504 1 16 no REF XP_002750362 . "PREDICTED: msx2-interacting protein isoform X1 [Callithrix jacchus]" . . . . . 100.00 3675 99.41 100.00 2.89e-108 . . . . 11504 1 17 no SP Q62504 . "RecName: Full=Msx2-interacting protein; AltName: Full=SMART/HDAC1-associated repressor protein; AltName: Full=SPEN homolog" . . . . . 100.00 3644 99.41 100.00 3.51e-108 . . . . 11504 1 18 no SP Q96T58 . "RecName: Full=Msx2-interacting protein; AltName: Full=SMART/HDAC1-associated repressor protein; AltName: Full=SPEN homolog" . . . . . 100.00 3664 100.00 100.00 8.20e-109 . . . . 11504 1 19 no TPG DAA21211 . "TPA: spen homolog, transcriptional regulator [Bos taurus]" . . . . . 100.00 3652 99.41 100.00 3.20e-108 . . . . 11504 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 3496 VAL . 11504 1 2 3497 ASP . 11504 1 3 3498 MET . 11504 1 4 3499 VAL . 11504 1 5 3500 GLN . 11504 1 6 3501 LEU . 11504 1 7 3502 LEU . 11504 1 8 3503 LYS . 11504 1 9 3504 LYS . 11504 1 10 3505 TYR . 11504 1 11 3506 PRO . 11504 1 12 3507 ILE . 11504 1 13 3508 VAL . 11504 1 14 3509 TRP . 11504 1 15 3510 GLN . 11504 1 16 3511 GLY . 11504 1 17 3512 LEU . 11504 1 18 3513 LEU . 11504 1 19 3514 ALA . 11504 1 20 3515 LEU . 11504 1 21 3516 LYS . 11504 1 22 3517 ASN . 11504 1 23 3518 ASP . 11504 1 24 3519 THR . 11504 1 25 3520 ALA . 11504 1 26 3521 ALA . 11504 1 27 3522 VAL . 11504 1 28 3523 GLN . 11504 1 29 3524 LEU . 11504 1 30 3525 HIS . 11504 1 31 3526 PHE . 11504 1 32 3527 VAL . 11504 1 33 3528 SER . 11504 1 34 3529 GLY . 11504 1 35 3530 ASN . 11504 1 36 3531 ASN . 11504 1 37 3532 VAL . 11504 1 38 3533 LEU . 11504 1 39 3534 ALA . 11504 1 40 3535 HIS . 11504 1 41 3536 ARG . 11504 1 42 3537 SER . 11504 1 43 3538 LEU . 11504 1 44 3539 PRO . 11504 1 45 3540 LEU . 11504 1 46 3541 SER . 11504 1 47 3542 GLU . 11504 1 48 3543 GLY . 11504 1 49 3544 GLY . 11504 1 50 3545 PRO . 11504 1 51 3546 PRO . 11504 1 52 3547 LEU . 11504 1 53 3548 ARG . 11504 1 54 3549 ILE . 11504 1 55 3550 ALA . 11504 1 56 3551 GLN . 11504 1 57 3552 ARG . 11504 1 58 3553 MET . 11504 1 59 3554 ARG . 11504 1 60 3555 LEU . 11504 1 61 3556 GLU . 11504 1 62 3557 ALA . 11504 1 63 3558 THR . 11504 1 64 3559 GLN . 11504 1 65 3560 LEU . 11504 1 66 3561 GLU . 11504 1 67 3562 GLY . 11504 1 68 3563 VAL . 11504 1 69 3564 ALA . 11504 1 70 3565 ARG . 11504 1 71 3566 ARG . 11504 1 72 3567 MET . 11504 1 73 3568 THR . 11504 1 74 3569 VAL . 11504 1 75 3570 GLU . 11504 1 76 3571 THR . 11504 1 77 3572 ASP . 11504 1 78 3573 TYR . 11504 1 79 3574 CYS . 11504 1 80 3575 LEU . 11504 1 81 3576 LEU . 11504 1 82 3577 LEU . 11504 1 83 3578 ALA . 11504 1 84 3579 LEU . 11504 1 85 3580 PRO . 11504 1 86 3581 CYS . 11504 1 87 3582 GLY . 11504 1 88 3583 ARG . 11504 1 89 3584 ASP . 11504 1 90 3585 GLN . 11504 1 91 3586 GLU . 11504 1 92 3587 ASP . 11504 1 93 3588 VAL . 11504 1 94 3589 VAL . 11504 1 95 3590 SER . 11504 1 96 3591 GLN . 11504 1 97 3592 THR . 11504 1 98 3593 GLU . 11504 1 99 3594 SER . 11504 1 100 3595 LEU . 11504 1 101 3596 LYS . 11504 1 102 3597 ALA . 11504 1 103 3598 ALA . 11504 1 104 3599 PHE . 11504 1 105 3600 ILE . 11504 1 106 3601 THR . 11504 1 107 3602 TYR . 11504 1 108 3603 LEU . 11504 1 109 3604 GLN . 11504 1 110 3605 ALA . 11504 1 111 3606 LYS . 11504 1 112 3607 GLN . 11504 1 113 3608 ALA . 11504 1 114 3609 ALA . 11504 1 115 3610 GLY . 11504 1 116 3611 ILE . 11504 1 117 3612 ILE . 11504 1 118 3613 ASN . 11504 1 119 3614 VAL . 11504 1 120 3615 PRO . 11504 1 121 3616 ASN . 11504 1 122 3617 PRO . 11504 1 123 3618 GLY . 11504 1 124 3619 SER . 11504 1 125 3620 ASN . 11504 1 126 3621 GLN . 11504 1 127 3622 PRO . 11504 1 128 3623 ALA . 11504 1 129 3624 TYR . 11504 1 130 3625 VAL . 11504 1 131 3626 LEU . 11504 1 132 3627 GLN . 11504 1 133 3628 ILE . 11504 1 134 3629 PHE . 11504 1 135 3630 PRO . 11504 1 136 3631 PRO . 11504 1 137 3632 CYS . 11504 1 138 3633 GLU . 11504 1 139 3634 PHE . 11504 1 140 3635 SER . 11504 1 141 3636 GLU . 11504 1 142 3637 SER . 11504 1 143 3638 HIS . 11504 1 144 3639 LEU . 11504 1 145 3640 SER . 11504 1 146 3641 ARG . 11504 1 147 3642 LEU . 11504 1 148 3643 ALA . 11504 1 149 3644 PRO . 11504 1 150 3645 ASP . 11504 1 151 3646 LEU . 11504 1 152 3647 LEU . 11504 1 153 3648 ALA . 11504 1 154 3649 SER . 11504 1 155 3650 ILE . 11504 1 156 3651 SER . 11504 1 157 3652 ASN . 11504 1 158 3653 ILE . 11504 1 159 3654 SER . 11504 1 160 3655 PRO . 11504 1 161 3656 HIS . 11504 1 162 3657 LEU . 11504 1 163 3658 MET . 11504 1 164 3659 ILE . 11504 1 165 3660 VAL . 11504 1 166 3661 ILE . 11504 1 167 3662 ALA . 11504 1 168 3663 SER . 11504 1 169 3664 VAL . 11504 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . VAL 1 1 11504 1 . ASP 2 2 11504 1 . MET 3 3 11504 1 . VAL 4 4 11504 1 . GLN 5 5 11504 1 . LEU 6 6 11504 1 . LEU 7 7 11504 1 . LYS 8 8 11504 1 . LYS 9 9 11504 1 . TYR 10 10 11504 1 . PRO 11 11 11504 1 . ILE 12 12 11504 1 . VAL 13 13 11504 1 . TRP 14 14 11504 1 . GLN 15 15 11504 1 . GLY 16 16 11504 1 . LEU 17 17 11504 1 . LEU 18 18 11504 1 . ALA 19 19 11504 1 . LEU 20 20 11504 1 . LYS 21 21 11504 1 . ASN 22 22 11504 1 . ASP 23 23 11504 1 . THR 24 24 11504 1 . ALA 25 25 11504 1 . ALA 26 26 11504 1 . VAL 27 27 11504 1 . GLN 28 28 11504 1 . LEU 29 29 11504 1 . HIS 30 30 11504 1 . PHE 31 31 11504 1 . VAL 32 32 11504 1 . SER 33 33 11504 1 . GLY 34 34 11504 1 . ASN 35 35 11504 1 . ASN 36 36 11504 1 . VAL 37 37 11504 1 . LEU 38 38 11504 1 . ALA 39 39 11504 1 . HIS 40 40 11504 1 . ARG 41 41 11504 1 . SER 42 42 11504 1 . LEU 43 43 11504 1 . PRO 44 44 11504 1 . LEU 45 45 11504 1 . SER 46 46 11504 1 . GLU 47 47 11504 1 . GLY 48 48 11504 1 . GLY 49 49 11504 1 . PRO 50 50 11504 1 . PRO 51 51 11504 1 . LEU 52 52 11504 1 . ARG 53 53 11504 1 . ILE 54 54 11504 1 . ALA 55 55 11504 1 . GLN 56 56 11504 1 . ARG 57 57 11504 1 . MET 58 58 11504 1 . ARG 59 59 11504 1 . LEU 60 60 11504 1 . GLU 61 61 11504 1 . ALA 62 62 11504 1 . THR 63 63 11504 1 . GLN 64 64 11504 1 . LEU 65 65 11504 1 . GLU 66 66 11504 1 . GLY 67 67 11504 1 . VAL 68 68 11504 1 . ALA 69 69 11504 1 . ARG 70 70 11504 1 . ARG 71 71 11504 1 . MET 72 72 11504 1 . THR 73 73 11504 1 . VAL 74 74 11504 1 . GLU 75 75 11504 1 . THR 76 76 11504 1 . ASP 77 77 11504 1 . TYR 78 78 11504 1 . CYS 79 79 11504 1 . LEU 80 80 11504 1 . LEU 81 81 11504 1 . LEU 82 82 11504 1 . ALA 83 83 11504 1 . LEU 84 84 11504 1 . PRO 85 85 11504 1 . CYS 86 86 11504 1 . GLY 87 87 11504 1 . ARG 88 88 11504 1 . ASP 89 89 11504 1 . GLN 90 90 11504 1 . GLU 91 91 11504 1 . ASP 92 92 11504 1 . VAL 93 93 11504 1 . VAL 94 94 11504 1 . SER 95 95 11504 1 . GLN 96 96 11504 1 . THR 97 97 11504 1 . GLU 98 98 11504 1 . SER 99 99 11504 1 . LEU 100 100 11504 1 . LYS 101 101 11504 1 . ALA 102 102 11504 1 . ALA 103 103 11504 1 . PHE 104 104 11504 1 . ILE 105 105 11504 1 . THR 106 106 11504 1 . TYR 107 107 11504 1 . LEU 108 108 11504 1 . GLN 109 109 11504 1 . ALA 110 110 11504 1 . LYS 111 111 11504 1 . GLN 112 112 11504 1 . ALA 113 113 11504 1 . ALA 114 114 11504 1 . GLY 115 115 11504 1 . ILE 116 116 11504 1 . ILE 117 117 11504 1 . ASN 118 118 11504 1 . VAL 119 119 11504 1 . PRO 120 120 11504 1 . ASN 121 121 11504 1 . PRO 122 122 11504 1 . GLY 123 123 11504 1 . SER 124 124 11504 1 . ASN 125 125 11504 1 . GLN 126 126 11504 1 . PRO 127 127 11504 1 . ALA 128 128 11504 1 . TYR 129 129 11504 1 . VAL 130 130 11504 1 . LEU 131 131 11504 1 . GLN 132 132 11504 1 . ILE 133 133 11504 1 . PHE 134 134 11504 1 . PRO 135 135 11504 1 . PRO 136 136 11504 1 . CYS 137 137 11504 1 . GLU 138 138 11504 1 . PHE 139 139 11504 1 . SER 140 140 11504 1 . GLU 141 141 11504 1 . SER 142 142 11504 1 . HIS 143 143 11504 1 . LEU 144 144 11504 1 . SER 145 145 11504 1 . ARG 146 146 11504 1 . LEU 147 147 11504 1 . ALA 148 148 11504 1 . PRO 149 149 11504 1 . ASP 150 150 11504 1 . LEU 151 151 11504 1 . LEU 152 152 11504 1 . ALA 153 153 11504 1 . SER 154 154 11504 1 . ILE 155 155 11504 1 . SER 156 156 11504 1 . ASN 157 157 11504 1 . ILE 158 158 11504 1 . SER 159 159 11504 1 . PRO 160 160 11504 1 . HIS 161 161 11504 1 . LEU 162 162 11504 1 . MET 163 163 11504 1 . ILE 164 164 11504 1 . VAL 165 165 11504 1 . ILE 166 166 11504 1 . ALA 167 167 11504 1 . SER 168 168 11504 1 . VAL 169 169 11504 1 stop_ save_ save_SMRT _Entity.Sf_category entity _Entity.Sf_framecode SMRT _Entity.Entry_ID 11504 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SMRT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code YETLXDXE _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details YETL(SEP)D(SEP)E _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1102.889 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2518 TYR . 11504 2 2 2519 GLU . 11504 2 3 2520 THR . 11504 2 4 2521 LEU . 11504 2 5 2522 SEP . 11504 2 6 2523 ASP . 11504 2 7 2524 SEP . 11504 2 8 2525 GLU . 11504 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . TYR 1 1 11504 2 . GLU 2 2 11504 2 . THR 3 3 11504 2 . LEU 4 4 11504 2 . SEP 5 5 11504 2 . ASP 6 6 11504 2 . SEP 7 7 11504 2 . GLU 8 8 11504 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11504 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SHARP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11504 1 2 2 $SMRT . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11504 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 11504 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SHARP . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pGEX6P-3 . . . . . . 11504 1 2 2 $SMRT . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11504 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 11504 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BX6 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 11504 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 11504 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11504 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 11504 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 11504 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 11504 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 11504 SEP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11504 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 11504 SEP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 11504 SEP CA CA CA CA . C . . S 0 . . . 1 no no . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 11504 SEP CB CB CB CB . C . . N 0 . . . 1 no no . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 11504 SEP OG OG OG OG . O . . N 0 . . . 1 no no . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 11504 SEP C C C C . C . . N 0 . . . 1 no no . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 11504 SEP O O O O . O . . N 0 . . . 1 no no . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 11504 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 11504 SEP P P P P . P . . N 0 . . . 1 no no . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 11504 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 11504 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 11504 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 11504 SEP H H H H . H . . N 0 . . . 1 no no . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 11504 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 11504 SEP HA HA HA HA . H . . N 0 . . . 1 no no . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 11504 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 11504 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 11504 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 11504 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 11504 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 11504 SEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 11504 SEP 2 . SING N H no N 2 . 11504 SEP 3 . SING N H2 no N 3 . 11504 SEP 4 . SING CA CB no N 4 . 11504 SEP 5 . SING CA C no N 5 . 11504 SEP 6 . SING CA HA no N 6 . 11504 SEP 7 . SING CB OG no N 7 . 11504 SEP 8 . SING CB HB2 no N 8 . 11504 SEP 9 . SING CB HB3 no N 9 . 11504 SEP 10 . SING OG P no N 10 . 11504 SEP 11 . DOUB C O no N 11 . 11504 SEP 12 . SING C OXT no N 12 . 11504 SEP 13 . SING OXT HXT no N 13 . 11504 SEP 14 . DOUB P O1P no N 14 . 11504 SEP 15 . SING P O2P no N 15 . 11504 SEP 16 . SING P O3P no N 16 . 11504 SEP 17 . SING O2P HOP2 no N 17 . 11504 SEP 18 . SING O3P HOP3 no N 18 . 11504 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11504 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SHARP '[U-100% 13C; U-100% 15N]' . . 1 $SHARP . protein 0.9 . . mM . . . . 11504 1 2 SMRT 'natural abundance' . . 2 $SMRT . protein 0.9 . . mM . . . . 11504 1 3 H2O . . . . . . solvent 93 . . % . . . . 11504 1 4 D2O . . . . . . solvent 7 . . % . . . . 11504 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11504 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SHARP '[U-15% 13C; U-100% 15N]' . . 1 $SHARP . protein 0.9 . . mM . . . . 11504 2 2 SMRT 'natural abundance' . . 2 $SMRT . protein 0.9 . . mM . . . . 11504 2 3 H2O . . . . . . solvent 93 . . % . . . . 11504 2 4 D2O . . . . . . solvent 7 . . % . . . . 11504 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11504 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SMRT '[U-13C; U-15N]-Leu, Glu, Tyr, Asp' . . 1 $SHARP . protein 0.9 . . mM . . . . 11504 3 2 SHARP 'natural abundance' . . 2 $SMRT . protein 0.9 . . mM . . . . 11504 3 3 H2O . . . . . . solvent 93 . . % . . . . 11504 3 4 D2O . . . . . . solvent 7 . . % . . . . 11504 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 11504 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SHARP '[U-100% 13C; U-100% 15N]' . . 1 $SHARP . protein 0.9 . . mM . . . . 11504 4 2 SMRT 'natural abundance' . . 2 $SMRT . protein 0.9 . . mM . . . . 11504 4 3 D2O . . . . . . solvent 100 . . % . . . . 11504 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11504 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 11504 1 pH 7.5 . pH 11504 1 pressure 1 . atm 11504 1 temperature 303 . K 11504 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11504 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11504 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11504 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11504 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11504 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11504 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 11504 1 2 spectrometer_2 Bruker Avance . 900 . . . 11504 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11504 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 9 '4D HC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 10 '3D 13C edited NOESY-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11504 1 11 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 12 '3D HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 13 '3D HN(CO)NB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 14 '15N edited NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 15 '2D 15N filtered 1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11504 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11504 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11504 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11504 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11504 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11504 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11504 1 2 '3D HNCO' . . . 11504 1 3 '3D HNCACB' . . . 11504 1 4 '3D CBCA(CO)NH' . . . 11504 1 5 '3D HN(CA)CO' . . . 11504 1 6 '3D C(CO)NH' . . . 11504 1 7 '3D H(CCO)NH' . . . 11504 1 8 '3D HCCH-TOCSY' . . . 11504 1 9 '4D HC(CO)NH' . . . 11504 1 10 '3D 13C edited NOESY-HSQC' . . . 11504 1 11 '2D 1H-13C HSQC aliphatic' . . . 11504 1 12 '3D HNHB' . . . 11504 1 13 '3D HN(CO)NB' . . . 11504 1 14 '15N edited NOESY-HSQC' . . . 11504 1 15 '2D 15N filtered 1H NOESY' . . . 11504 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL HA H 1 3.952 0.04 . 1 . . . A 3496 VAL HA . 11504 1 2 . 1 1 1 1 VAL HB H 1 1.955 0.04 . 1 . . . A 3496 VAL HB . 11504 1 3 . 1 1 1 1 VAL HG11 H 1 0.847 0.04 . 2 . . . A 3496 VAL HG11 . 11504 1 4 . 1 1 1 1 VAL HG12 H 1 0.847 0.04 . 2 . . . A 3496 VAL HG12 . 11504 1 5 . 1 1 1 1 VAL HG13 H 1 0.847 0.04 . 2 . . . A 3496 VAL HG13 . 11504 1 6 . 1 1 1 1 VAL HG21 H 1 0.873 0.04 . 2 . . . A 3496 VAL HG21 . 11504 1 7 . 1 1 1 1 VAL HG22 H 1 0.873 0.04 . 2 . . . A 3496 VAL HG22 . 11504 1 8 . 1 1 1 1 VAL HG23 H 1 0.873 0.04 . 2 . . . A 3496 VAL HG23 . 11504 1 9 . 1 1 1 1 VAL C C 13 175.376 0.40 . 1 . . . A 3496 VAL C . 11504 1 10 . 1 1 1 1 VAL CA C 13 62.448 0.40 . 1 . . . A 3496 VAL CA . 11504 1 11 . 1 1 1 1 VAL CB C 13 32.815 0.40 . 1 . . . A 3496 VAL CB . 11504 1 12 . 1 1 1 1 VAL CG1 C 13 21.161 0.40 . 2 . . . A 3496 VAL CG1 . 11504 1 13 . 1 1 1 1 VAL CG2 C 13 21.128 0.40 . 2 . . . A 3496 VAL CG2 . 11504 1 14 . 1 1 2 2 ASP H H 1 8.459 0.04 . 1 . . . A 3497 ASP H . 11504 1 15 . 1 1 2 2 ASP HA H 1 4.612 0.04 . 1 . . . A 3497 ASP HA . 11504 1 16 . 1 1 2 2 ASP HB2 H 1 2.622 0.04 . 2 . . . A 3497 ASP HB2 . 11504 1 17 . 1 1 2 2 ASP HB3 H 1 2.802 0.04 . 2 . . . A 3497 ASP HB3 . 11504 1 18 . 1 1 2 2 ASP C C 13 176.960 0.40 . 1 . . . A 3497 ASP C . 11504 1 19 . 1 1 2 2 ASP CA C 13 53.826 0.40 . 1 . . . A 3497 ASP CA . 11504 1 20 . 1 1 2 2 ASP CB C 13 40.965 0.40 . 1 . . . A 3497 ASP CB . 11504 1 21 . 1 1 2 2 ASP N N 15 126.184 0.40 . 1 . . . A 3497 ASP N . 11504 1 22 . 1 1 3 3 MET H H 1 8.466 0.04 . 1 . . . A 3498 MET H . 11504 1 23 . 1 1 3 3 MET HA H 1 4.302 0.04 . 1 . . . A 3498 MET HA . 11504 1 24 . 1 1 3 3 MET HB2 H 1 2.076 0.04 . 2 . . . A 3498 MET HB2 . 11504 1 25 . 1 1 3 3 MET HB3 H 1 2.062 0.04 . 2 . . . A 3498 MET HB3 . 11504 1 26 . 1 1 3 3 MET HG2 H 1 2.548 0.04 . 2 . . . A 3498 MET HG2 . 11504 1 27 . 1 1 3 3 MET HG3 H 1 2.597 0.04 . 2 . . . A 3498 MET HG3 . 11504 1 28 . 1 1 3 3 MET HE1 H 1 1.890 0.04 . 1 . . . A 3498 MET HE1 . 11504 1 29 . 1 1 3 3 MET HE2 H 1 1.890 0.04 . 1 . . . A 3498 MET HE2 . 11504 1 30 . 1 1 3 3 MET HE3 H 1 1.890 0.04 . 1 . . . A 3498 MET HE3 . 11504 1 31 . 1 1 3 3 MET C C 13 177.531 0.40 . 1 . . . A 3498 MET C . 11504 1 32 . 1 1 3 3 MET CA C 13 57.005 0.40 . 1 . . . A 3498 MET CA . 11504 1 33 . 1 1 3 3 MET CB C 13 31.808 0.40 . 1 . . . A 3498 MET CB . 11504 1 34 . 1 1 3 3 MET CG C 13 32.290 0.40 . 1 . . . A 3498 MET CG . 11504 1 35 . 1 1 3 3 MET CE C 13 16.326 0.40 . 1 . . . A 3498 MET CE . 11504 1 36 . 1 1 3 3 MET N N 15 125.200 0.40 . 1 . . . A 3498 MET N . 11504 1 37 . 1 1 4 4 VAL H H 1 7.908 0.04 . 1 . . . A 3499 VAL H . 11504 1 38 . 1 1 4 4 VAL HA H 1 3.610 0.04 . 1 . . . A 3499 VAL HA . 11504 1 39 . 1 1 4 4 VAL HB H 1 2.181 0.04 . 1 . . . A 3499 VAL HB . 11504 1 40 . 1 1 4 4 VAL HG11 H 1 0.901 0.04 . 1 . . . A 3499 VAL HG11 . 11504 1 41 . 1 1 4 4 VAL HG12 H 1 0.901 0.04 . 1 . . . A 3499 VAL HG12 . 11504 1 42 . 1 1 4 4 VAL HG13 H 1 0.901 0.04 . 1 . . . A 3499 VAL HG13 . 11504 1 43 . 1 1 4 4 VAL HG21 H 1 1.019 0.04 . 1 . . . A 3499 VAL HG21 . 11504 1 44 . 1 1 4 4 VAL HG22 H 1 1.019 0.04 . 1 . . . A 3499 VAL HG22 . 11504 1 45 . 1 1 4 4 VAL HG23 H 1 1.019 0.04 . 1 . . . A 3499 VAL HG23 . 11504 1 46 . 1 1 4 4 VAL C C 13 178.701 0.40 . 1 . . . A 3499 VAL C . 11504 1 47 . 1 1 4 4 VAL CA C 13 66.222 0.40 . 1 . . . A 3499 VAL CA . 11504 1 48 . 1 1 4 4 VAL CB C 13 31.341 0.40 . 1 . . . A 3499 VAL CB . 11504 1 49 . 1 1 4 4 VAL CG1 C 13 20.838 0.40 . 1 . . . A 3499 VAL CG1 . 11504 1 50 . 1 1 4 4 VAL CG2 C 13 22.387 0.40 . 1 . . . A 3499 VAL CG2 . 11504 1 51 . 1 1 4 4 VAL N N 15 120.575 0.40 . 1 . . . A 3499 VAL N . 11504 1 52 . 1 1 5 5 GLN H H 1 7.653 0.04 . 1 . . . A 3500 GLN H . 11504 1 53 . 1 1 5 5 GLN HA H 1 4.061 0.04 . 1 . . . A 3500 GLN HA . 11504 1 54 . 1 1 5 5 GLN HB2 H 1 2.073 0.04 . 2 . . . A 3500 GLN HB2 . 11504 1 55 . 1 1 5 5 GLN HB3 H 1 2.104 0.04 . 2 . . . A 3500 GLN HB3 . 11504 1 56 . 1 1 5 5 GLN HG2 H 1 2.412 0.04 . 2 . . . A 3500 GLN HG2 . 11504 1 57 . 1 1 5 5 GLN HG3 H 1 2.434 0.04 . 2 . . . A 3500 GLN HG3 . 11504 1 58 . 1 1 5 5 GLN C C 13 178.926 0.40 . 1 . . . A 3500 GLN C . 11504 1 59 . 1 1 5 5 GLN CA C 13 58.024 0.40 . 1 . . . A 3500 GLN CA . 11504 1 60 . 1 1 5 5 GLN CB C 13 28.337 0.40 . 1 . . . A 3500 GLN CB . 11504 1 61 . 1 1 5 5 GLN CG C 13 33.760 0.40 . 1 . . . A 3500 GLN CG . 11504 1 62 . 1 1 5 5 GLN N N 15 119.457 0.40 . 1 . . . A 3500 GLN N . 11504 1 63 . 1 1 6 6 LEU H H 1 7.986 0.04 . 1 . . . A 3501 LEU H . 11504 1 64 . 1 1 6 6 LEU HA H 1 4.107 0.04 . 1 . . . A 3501 LEU HA . 11504 1 65 . 1 1 6 6 LEU HB2 H 1 1.641 0.04 . 1 . . . A 3501 LEU HB2 . 11504 1 66 . 1 1 6 6 LEU HB3 H 1 1.840 0.04 . 1 . . . A 3501 LEU HB3 . 11504 1 67 . 1 1 6 6 LEU HG H 1 1.034 0.04 . 1 . . . A 3501 LEU HG . 11504 1 68 . 1 1 6 6 LEU HD11 H 1 0.859 0.04 . 1 . . . A 3501 LEU HD11 . 11504 1 69 . 1 1 6 6 LEU HD12 H 1 0.859 0.04 . 1 . . . A 3501 LEU HD12 . 11504 1 70 . 1 1 6 6 LEU HD13 H 1 0.859 0.04 . 1 . . . A 3501 LEU HD13 . 11504 1 71 . 1 1 6 6 LEU HD21 H 1 0.820 0.04 . 1 . . . A 3501 LEU HD21 . 11504 1 72 . 1 1 6 6 LEU HD22 H 1 0.820 0.04 . 1 . . . A 3501 LEU HD22 . 11504 1 73 . 1 1 6 6 LEU HD23 H 1 0.820 0.04 . 1 . . . A 3501 LEU HD23 . 11504 1 74 . 1 1 6 6 LEU C C 13 178.613 0.40 . 1 . . . A 3501 LEU C . 11504 1 75 . 1 1 6 6 LEU CA C 13 58.116 0.40 . 1 . . . A 3501 LEU CA . 11504 1 76 . 1 1 6 6 LEU CB C 13 42.303 0.40 . 1 . . . A 3501 LEU CB . 11504 1 77 . 1 1 6 6 LEU CG C 13 27.081 0.40 . 1 . . . A 3501 LEU CG . 11504 1 78 . 1 1 6 6 LEU CD1 C 13 25.345 0.40 . 1 . . . A 3501 LEU CD1 . 11504 1 79 . 1 1 6 6 LEU CD2 C 13 24.685 0.40 . 1 . . . A 3501 LEU CD2 . 11504 1 80 . 1 1 6 6 LEU N N 15 123.106 0.40 . 1 . . . A 3501 LEU N . 11504 1 81 . 1 1 7 7 LEU H H 1 8.029 0.04 . 1 . . . A 3502 LEU H . 11504 1 82 . 1 1 7 7 LEU HA H 1 4.124 0.04 . 1 . . . A 3502 LEU HA . 11504 1 83 . 1 1 7 7 LEU HB2 H 1 1.568 0.04 . 1 . . . A 3502 LEU HB2 . 11504 1 84 . 1 1 7 7 LEU HB3 H 1 1.838 0.04 . 1 . . . A 3502 LEU HB3 . 11504 1 85 . 1 1 7 7 LEU HG H 1 1.661 0.04 . 1 . . . A 3502 LEU HG . 11504 1 86 . 1 1 7 7 LEU HD11 H 1 0.838 0.04 . 1 . . . A 3502 LEU HD11 . 11504 1 87 . 1 1 7 7 LEU HD12 H 1 0.838 0.04 . 1 . . . A 3502 LEU HD12 . 11504 1 88 . 1 1 7 7 LEU HD13 H 1 0.838 0.04 . 1 . . . A 3502 LEU HD13 . 11504 1 89 . 1 1 7 7 LEU HD21 H 1 0.725 0.04 . 1 . . . A 3502 LEU HD21 . 11504 1 90 . 1 1 7 7 LEU HD22 H 1 0.725 0.04 . 1 . . . A 3502 LEU HD22 . 11504 1 91 . 1 1 7 7 LEU HD23 H 1 0.725 0.04 . 1 . . . A 3502 LEU HD23 . 11504 1 92 . 1 1 7 7 LEU C C 13 178.760 0.40 . 1 . . . A 3502 LEU C . 11504 1 93 . 1 1 7 7 LEU CA C 13 56.842 0.40 . 1 . . . A 3502 LEU CA . 11504 1 94 . 1 1 7 7 LEU CB C 13 41.400 0.40 . 1 . . . A 3502 LEU CB . 11504 1 95 . 1 1 7 7 LEU CG C 13 27.260 0.40 . 1 . . . A 3502 LEU CG . 11504 1 96 . 1 1 7 7 LEU CD1 C 13 25.150 0.40 . 1 . . . A 3502 LEU CD1 . 11504 1 97 . 1 1 7 7 LEU CD2 C 13 22.820 0.40 . 1 . . . A 3502 LEU CD2 . 11504 1 98 . 1 1 7 7 LEU N N 15 118.549 0.40 . 1 . . . A 3502 LEU N . 11504 1 99 . 1 1 8 8 LYS H H 1 7.336 0.04 . 1 . . . A 3503 LYS H . 11504 1 100 . 1 1 8 8 LYS HA H 1 4.052 0.04 . 1 . . . A 3503 LYS HA . 11504 1 101 . 1 1 8 8 LYS HB2 H 1 1.450 0.04 . 2 . . . A 3503 LYS HB2 . 11504 1 102 . 1 1 8 8 LYS HB3 H 1 1.424 0.04 . 2 . . . A 3503 LYS HB3 . 11504 1 103 . 1 1 8 8 LYS HG2 H 1 1.837 0.04 . 2 . . . A 3503 LYS HG2 . 11504 1 104 . 1 1 8 8 LYS HG3 H 1 1.861 0.04 . 2 . . . A 3503 LYS HG3 . 11504 1 105 . 1 1 8 8 LYS HD2 H 1 1.640 0.04 . 2 . . . A 3503 LYS HD2 . 11504 1 106 . 1 1 8 8 LYS HD3 H 1 1.667 0.04 . 2 . . . A 3503 LYS HD3 . 11504 1 107 . 1 1 8 8 LYS HE2 H 1 2.958 0.04 . 2 . . . A 3503 LYS HE2 . 11504 1 108 . 1 1 8 8 LYS HE3 H 1 2.930 0.04 . 2 . . . A 3503 LYS HE3 . 11504 1 109 . 1 1 8 8 LYS C C 13 177.769 0.40 . 1 . . . A 3503 LYS C . 11504 1 110 . 1 1 8 8 LYS CA C 13 58.479 0.40 . 1 . . . A 3503 LYS CA . 11504 1 111 . 1 1 8 8 LYS CB C 13 32.441 0.40 . 1 . . . A 3503 LYS CB . 11504 1 112 . 1 1 8 8 LYS CG C 13 25.210 0.40 . 1 . . . A 3503 LYS CG . 11504 1 113 . 1 1 8 8 LYS CD C 13 29.216 0.40 . 1 . . . A 3503 LYS CD . 11504 1 114 . 1 1 8 8 LYS CE C 13 42.122 0.40 . 1 . . . A 3503 LYS CE . 11504 1 115 . 1 1 8 8 LYS N N 15 119.344 0.40 . 1 . . . A 3503 LYS N . 11504 1 116 . 1 1 9 9 LYS H H 1 7.355 0.04 . 1 . . . A 3504 LYS H . 11504 1 117 . 1 1 9 9 LYS HA H 1 3.943 0.04 . 1 . . . A 3504 LYS HA . 11504 1 118 . 1 1 9 9 LYS HB2 H 1 1.418 0.04 . 2 . . . A 3504 LYS HB2 . 11504 1 119 . 1 1 9 9 LYS HB3 H 1 1.267 0.04 . 2 . . . A 3504 LYS HB3 . 11504 1 120 . 1 1 9 9 LYS HG2 H 1 1.556 0.04 . 2 . . . A 3504 LYS HG2 . 11504 1 121 . 1 1 9 9 LYS HG3 H 1 1.563 0.04 . 2 . . . A 3504 LYS HG3 . 11504 1 122 . 1 1 9 9 LYS HD2 H 1 1.528 0.04 . 2 . . . A 3504 LYS HD2 . 11504 1 123 . 1 1 9 9 LYS HD3 H 1 1.523 0.04 . 2 . . . A 3504 LYS HD3 . 11504 1 124 . 1 1 9 9 LYS HE2 H 1 2.903 0.04 . 2 . . . A 3504 LYS HE2 . 11504 1 125 . 1 1 9 9 LYS HE3 H 1 2.931 0.04 . 2 . . . A 3504 LYS HE3 . 11504 1 126 . 1 1 9 9 LYS C C 13 175.494 0.40 . 1 . . . A 3504 LYS C . 11504 1 127 . 1 1 9 9 LYS CA C 13 57.709 0.40 . 1 . . . A 3504 LYS CA . 11504 1 128 . 1 1 9 9 LYS CB C 13 33.315 0.40 . 1 . . . A 3504 LYS CB . 11504 1 129 . 1 1 9 9 LYS CG C 13 24.951 0.40 . 1 . . . A 3504 LYS CG . 11504 1 130 . 1 1 9 9 LYS CD C 13 29.517 0.40 . 1 . . . A 3504 LYS CD . 11504 1 131 . 1 1 9 9 LYS CE C 13 41.962 0.40 . 1 . . . A 3504 LYS CE . 11504 1 132 . 1 1 9 9 LYS N N 15 119.572 0.40 . 1 . . . A 3504 LYS N . 11504 1 133 . 1 1 10 10 TYR H H 1 7.839 0.04 . 1 . . . A 3505 TYR H . 11504 1 134 . 1 1 10 10 TYR HA H 1 5.627 0.04 . 1 . . . A 3505 TYR HA . 11504 1 135 . 1 1 10 10 TYR HB2 H 1 2.941 0.04 . 2 . . . A 3505 TYR HB2 . 11504 1 136 . 1 1 10 10 TYR HB3 H 1 2.847 0.04 . 2 . . . A 3505 TYR HB3 . 11504 1 137 . 1 1 10 10 TYR HD1 H 1 7.481 0.04 . 3 . . . A 3505 TYR HD1 . 11504 1 138 . 1 1 10 10 TYR HE1 H 1 6.809 0.04 . 3 . . . A 3505 TYR HE1 . 11504 1 139 . 1 1 10 10 TYR C C 13 172.235 0.40 . 1 . . . A 3505 TYR C . 11504 1 140 . 1 1 10 10 TYR CA C 13 54.228 0.40 . 1 . . . A 3505 TYR CA . 11504 1 141 . 1 1 10 10 TYR CB C 13 37.723 0.40 . 1 . . . A 3505 TYR CB . 11504 1 142 . 1 1 10 10 TYR CD1 C 13 134.531 0.40 . 3 . . . A 3505 TYR CD1 . 11504 1 143 . 1 1 10 10 TYR CE1 C 13 117.731 0.40 . 3 . . . A 3505 TYR CE1 . 11504 1 144 . 1 1 10 10 TYR N N 15 120.711 0.40 . 1 . . . A 3505 TYR N . 11504 1 145 . 1 1 11 11 PRO HA H 1 4.570 0.04 . 1 . . . A 3506 PRO HA . 11504 1 146 . 1 1 11 11 PRO HB2 H 1 1.856 0.04 . 2 . . . A 3506 PRO HB2 . 11504 1 147 . 1 1 11 11 PRO HB3 H 1 2.306 0.04 . 2 . . . A 3506 PRO HB3 . 11504 1 148 . 1 1 11 11 PRO HG2 H 1 1.990 0.04 . 2 . . . A 3506 PRO HG2 . 11504 1 149 . 1 1 11 11 PRO HG3 H 1 1.997 0.04 . 2 . . . A 3506 PRO HG3 . 11504 1 150 . 1 1 11 11 PRO HD2 H 1 3.551 0.04 . 2 . . . A 3506 PRO HD2 . 11504 1 151 . 1 1 11 11 PRO HD3 H 1 4.003 0.04 . 2 . . . A 3506 PRO HD3 . 11504 1 152 . 1 1 11 11 PRO C C 13 176.787 0.40 . 1 . . . A 3506 PRO C . 11504 1 153 . 1 1 11 11 PRO CA C 13 62.972 0.40 . 1 . . . A 3506 PRO CA . 11504 1 154 . 1 1 11 11 PRO CB C 13 32.773 0.40 . 1 . . . A 3506 PRO CB . 11504 1 155 . 1 1 11 11 PRO CG C 13 27.097 0.40 . 1 . . . A 3506 PRO CG . 11504 1 156 . 1 1 11 11 PRO CD C 13 50.828 0.40 . 1 . . . A 3506 PRO CD . 11504 1 157 . 1 1 12 12 ILE H H 1 8.332 0.04 . 1 . . . A 3507 ILE H . 11504 1 158 . 1 1 12 12 ILE HA H 1 4.030 0.04 . 1 . . . A 3507 ILE HA . 11504 1 159 . 1 1 12 12 ILE HB H 1 1.486 0.04 . 1 . . . A 3507 ILE HB . 11504 1 160 . 1 1 12 12 ILE HG12 H 1 -0.173 0.04 . 2 . . . A 3507 ILE HG12 . 11504 1 161 . 1 1 12 12 ILE HG13 H 1 1.402 0.04 . 2 . . . A 3507 ILE HG13 . 11504 1 162 . 1 1 12 12 ILE HG21 H 1 0.658 0.04 . 1 . . . A 3507 ILE HG21 . 11504 1 163 . 1 1 12 12 ILE HG22 H 1 0.658 0.04 . 1 . . . A 3507 ILE HG22 . 11504 1 164 . 1 1 12 12 ILE HG23 H 1 0.658 0.04 . 1 . . . A 3507 ILE HG23 . 11504 1 165 . 1 1 12 12 ILE HD11 H 1 0.659 0.04 . 1 . . . A 3507 ILE HD11 . 11504 1 166 . 1 1 12 12 ILE HD12 H 1 0.659 0.04 . 1 . . . A 3507 ILE HD12 . 11504 1 167 . 1 1 12 12 ILE HD13 H 1 0.659 0.04 . 1 . . . A 3507 ILE HD13 . 11504 1 168 . 1 1 12 12 ILE C C 13 178.133 0.40 . 1 . . . A 3507 ILE C . 11504 1 169 . 1 1 12 12 ILE CA C 13 62.047 0.40 . 1 . . . A 3507 ILE CA . 11504 1 170 . 1 1 12 12 ILE CB C 13 38.270 0.40 . 1 . . . A 3507 ILE CB . 11504 1 171 . 1 1 12 12 ILE CG1 C 13 28.533 0.40 . 1 . . . A 3507 ILE CG1 . 11504 1 172 . 1 1 12 12 ILE CG2 C 13 17.686 0.40 . 1 . . . A 3507 ILE CG2 . 11504 1 173 . 1 1 12 12 ILE CD1 C 13 13.408 0.40 . 1 . . . A 3507 ILE CD1 . 11504 1 174 . 1 1 12 12 ILE N N 15 122.219 0.40 . 1 . . . A 3507 ILE N . 11504 1 175 . 1 1 13 13 VAL H H 1 8.950 0.04 . 1 . . . A 3508 VAL H . 11504 1 176 . 1 1 13 13 VAL HA H 1 4.545 0.04 . 1 . . . A 3508 VAL HA . 11504 1 177 . 1 1 13 13 VAL HB H 1 2.210 0.04 . 1 . . . A 3508 VAL HB . 11504 1 178 . 1 1 13 13 VAL HG11 H 1 0.915 0.04 . 1 . . . A 3508 VAL HG11 . 11504 1 179 . 1 1 13 13 VAL HG12 H 1 0.915 0.04 . 1 . . . A 3508 VAL HG12 . 11504 1 180 . 1 1 13 13 VAL HG13 H 1 0.915 0.04 . 1 . . . A 3508 VAL HG13 . 11504 1 181 . 1 1 13 13 VAL HG21 H 1 0.759 0.04 . 1 . . . A 3508 VAL HG21 . 11504 1 182 . 1 1 13 13 VAL HG22 H 1 0.759 0.04 . 1 . . . A 3508 VAL HG22 . 11504 1 183 . 1 1 13 13 VAL HG23 H 1 0.759 0.04 . 1 . . . A 3508 VAL HG23 . 11504 1 184 . 1 1 13 13 VAL C C 13 174.952 0.40 . 1 . . . A 3508 VAL C . 11504 1 185 . 1 1 13 13 VAL CA C 13 60.571 0.40 . 1 . . . A 3508 VAL CA . 11504 1 186 . 1 1 13 13 VAL CB C 13 32.987 0.40 . 1 . . . A 3508 VAL CB . 11504 1 187 . 1 1 13 13 VAL CG1 C 13 22.036 0.40 . 1 . . . A 3508 VAL CG1 . 11504 1 188 . 1 1 13 13 VAL CG2 C 13 19.520 0.40 . 1 . . . A 3508 VAL CG2 . 11504 1 189 . 1 1 13 13 VAL N N 15 122.331 0.40 . 1 . . . A 3508 VAL N . 11504 1 190 . 1 1 14 14 TRP H H 1 7.439 0.04 . 1 . . . A 3509 TRP H . 11504 1 191 . 1 1 14 14 TRP HA H 1 4.501 0.04 . 1 . . . A 3509 TRP HA . 11504 1 192 . 1 1 14 14 TRP HB2 H 1 3.366 0.04 . 1 . . . A 3509 TRP HB2 . 11504 1 193 . 1 1 14 14 TRP HB3 H 1 2.544 0.04 . 1 . . . A 3509 TRP HB3 . 11504 1 194 . 1 1 14 14 TRP C C 13 172.797 0.40 . 1 . . . A 3509 TRP C . 11504 1 195 . 1 1 14 14 TRP CA C 13 59.697 0.40 . 1 . . . A 3509 TRP CA . 11504 1 196 . 1 1 14 14 TRP CB C 13 32.821 0.40 . 1 . . . A 3509 TRP CB . 11504 1 197 . 1 1 14 14 TRP N N 15 122.799 0.40 . 1 . . . A 3509 TRP N . 11504 1 198 . 1 1 15 15 GLN H H 1 6.982 0.04 . 1 . . . A 3510 GLN H . 11504 1 199 . 1 1 15 15 GLN HA H 1 4.852 0.04 . 1 . . . A 3510 GLN HA . 11504 1 200 . 1 1 15 15 GLN HB2 H 1 1.754 0.04 . 2 . . . A 3510 GLN HB2 . 11504 1 201 . 1 1 15 15 GLN HB3 H 1 1.716 0.04 . 2 . . . A 3510 GLN HB3 . 11504 1 202 . 1 1 15 15 GLN HG2 H 1 1.981 0.04 . 2 . . . A 3510 GLN HG2 . 11504 1 203 . 1 1 15 15 GLN HG3 H 1 2.051 0.04 . 2 . . . A 3510 GLN HG3 . 11504 1 204 . 1 1 15 15 GLN C C 13 172.444 0.40 . 1 . . . A 3510 GLN C . 11504 1 205 . 1 1 15 15 GLN CA C 13 54.470 0.40 . 1 . . . A 3510 GLN CA . 11504 1 206 . 1 1 15 15 GLN CB C 13 32.061 0.40 . 1 . . . A 3510 GLN CB . 11504 1 207 . 1 1 15 15 GLN CG C 13 33.636 0.40 . 1 . . . A 3510 GLN CG . 11504 1 208 . 1 1 15 15 GLN N N 15 125.989 0.40 . 1 . . . A 3510 GLN N . 11504 1 209 . 1 1 16 16 GLY H H 1 7.868 0.04 . 1 . . . A 3511 GLY H . 11504 1 210 . 1 1 16 16 GLY HA2 H 1 3.370 0.04 . 2 . . . A 3511 GLY HA2 . 11504 1 211 . 1 1 16 16 GLY HA3 H 1 3.037 0.04 . 2 . . . A 3511 GLY HA3 . 11504 1 212 . 1 1 16 16 GLY C C 13 170.638 0.40 . 1 . . . A 3511 GLY C . 11504 1 213 . 1 1 16 16 GLY CA C 13 45.631 0.40 . 1 . . . A 3511 GLY CA . 11504 1 214 . 1 1 16 16 GLY N N 15 113.046 0.40 . 1 . . . A 3511 GLY N . 11504 1 215 . 1 1 17 17 LEU H H 1 8.505 0.04 . 1 . . . A 3512 LEU H . 11504 1 216 . 1 1 17 17 LEU HA H 1 5.032 0.04 . 1 . . . A 3512 LEU HA . 11504 1 217 . 1 1 17 17 LEU HB2 H 1 1.579 0.04 . 1 . . . A 3512 LEU HB2 . 11504 1 218 . 1 1 17 17 LEU HB3 H 1 1.213 0.04 . 1 . . . A 3512 LEU HB3 . 11504 1 219 . 1 1 17 17 LEU HG H 1 1.564 0.04 . 1 . . . A 3512 LEU HG . 11504 1 220 . 1 1 17 17 LEU HD11 H 1 0.814 0.04 . 1 . . . A 3512 LEU HD11 . 11504 1 221 . 1 1 17 17 LEU HD12 H 1 0.814 0.04 . 1 . . . A 3512 LEU HD12 . 11504 1 222 . 1 1 17 17 LEU HD13 H 1 0.814 0.04 . 1 . . . A 3512 LEU HD13 . 11504 1 223 . 1 1 17 17 LEU HD21 H 1 0.725 0.04 . 1 . . . A 3512 LEU HD21 . 11504 1 224 . 1 1 17 17 LEU HD22 H 1 0.725 0.04 . 1 . . . A 3512 LEU HD22 . 11504 1 225 . 1 1 17 17 LEU HD23 H 1 0.725 0.04 . 1 . . . A 3512 LEU HD23 . 11504 1 226 . 1 1 17 17 LEU C C 13 176.160 0.40 . 1 . . . A 3512 LEU C . 11504 1 227 . 1 1 17 17 LEU CA C 13 54.140 0.40 . 1 . . . A 3512 LEU CA . 11504 1 228 . 1 1 17 17 LEU CB C 13 44.641 0.40 . 1 . . . A 3512 LEU CB . 11504 1 229 . 1 1 17 17 LEU CG C 13 27.219 0.40 . 1 . . . A 3512 LEU CG . 11504 1 230 . 1 1 17 17 LEU CD1 C 13 25.190 0.40 . 1 . . . A 3512 LEU CD1 . 11504 1 231 . 1 1 17 17 LEU CD2 C 13 23.592 0.40 . 1 . . . A 3512 LEU CD2 . 11504 1 232 . 1 1 17 17 LEU N N 15 122.294 0.40 . 1 . . . A 3512 LEU N . 11504 1 233 . 1 1 18 18 LEU H H 1 8.682 0.04 . 1 . . . A 3513 LEU H . 11504 1 234 . 1 1 18 18 LEU HA H 1 5.215 0.04 . 1 . . . A 3513 LEU HA . 11504 1 235 . 1 1 18 18 LEU HB2 H 1 1.327 0.04 . 2 . . . A 3513 LEU HB2 . 11504 1 236 . 1 1 18 18 LEU HB3 H 1 1.291 0.04 . 2 . . . A 3513 LEU HB3 . 11504 1 237 . 1 1 18 18 LEU HG H 1 1.645 0.04 . 1 . . . A 3513 LEU HG . 11504 1 238 . 1 1 18 18 LEU HD11 H 1 0.462 0.04 . 1 . . . A 3513 LEU HD11 . 11504 1 239 . 1 1 18 18 LEU HD12 H 1 0.462 0.04 . 1 . . . A 3513 LEU HD12 . 11504 1 240 . 1 1 18 18 LEU HD13 H 1 0.462 0.04 . 1 . . . A 3513 LEU HD13 . 11504 1 241 . 1 1 18 18 LEU HD21 H 1 0.619 0.04 . 1 . . . A 3513 LEU HD21 . 11504 1 242 . 1 1 18 18 LEU HD22 H 1 0.619 0.04 . 1 . . . A 3513 LEU HD22 . 11504 1 243 . 1 1 18 18 LEU HD23 H 1 0.619 0.04 . 1 . . . A 3513 LEU HD23 . 11504 1 244 . 1 1 18 18 LEU C C 13 176.066 0.40 . 1 . . . A 3513 LEU C . 11504 1 245 . 1 1 18 18 LEU CA C 13 52.883 0.40 . 1 . . . A 3513 LEU CA . 11504 1 246 . 1 1 18 18 LEU CB C 13 45.585 0.40 . 1 . . . A 3513 LEU CB . 11504 1 247 . 1 1 18 18 LEU CG C 13 26.773 0.40 . 1 . . . A 3513 LEU CG . 11504 1 248 . 1 1 18 18 LEU CD1 C 13 25.491 0.40 . 1 . . . A 3513 LEU CD1 . 11504 1 249 . 1 1 18 18 LEU CD2 C 13 23.800 0.40 . 1 . . . A 3513 LEU CD2 . 11504 1 250 . 1 1 18 18 LEU N N 15 122.165 0.40 . 1 . . . A 3513 LEU N . 11504 1 251 . 1 1 19 19 ALA H H 1 8.781 0.04 . 1 . . . A 3514 ALA H . 11504 1 252 . 1 1 19 19 ALA HA H 1 5.530 0.04 . 1 . . . A 3514 ALA HA . 11504 1 253 . 1 1 19 19 ALA HB1 H 1 1.150 0.04 . 1 . . . A 3514 ALA HB1 . 11504 1 254 . 1 1 19 19 ALA HB2 H 1 1.150 0.04 . 1 . . . A 3514 ALA HB2 . 11504 1 255 . 1 1 19 19 ALA HB3 H 1 1.150 0.04 . 1 . . . A 3514 ALA HB3 . 11504 1 256 . 1 1 19 19 ALA C C 13 174.916 0.40 . 1 . . . A 3514 ALA C . 11504 1 257 . 1 1 19 19 ALA CA C 13 50.517 0.40 . 1 . . . A 3514 ALA CA . 11504 1 258 . 1 1 19 19 ALA CB C 13 23.058 0.40 . 1 . . . A 3514 ALA CB . 11504 1 259 . 1 1 19 19 ALA N N 15 123.799 0.40 . 1 . . . A 3514 ALA N . 11504 1 260 . 1 1 20 20 LEU H H 1 8.044 0.04 . 1 . . . A 3515 LEU H . 11504 1 261 . 1 1 20 20 LEU HA H 1 4.137 0.04 . 1 . . . A 3515 LEU HA . 11504 1 262 . 1 1 20 20 LEU HB2 H 1 0.518 0.04 . 1 . . . A 3515 LEU HB2 . 11504 1 263 . 1 1 20 20 LEU HB3 H 1 0.942 0.04 . 1 . . . A 3515 LEU HB3 . 11504 1 264 . 1 1 20 20 LEU HG H 1 0.968 0.04 . 1 . . . A 3515 LEU HG . 11504 1 265 . 1 1 20 20 LEU HD11 H 1 0.519 0.04 . 1 . . . A 3515 LEU HD11 . 11504 1 266 . 1 1 20 20 LEU HD12 H 1 0.519 0.04 . 1 . . . A 3515 LEU HD12 . 11504 1 267 . 1 1 20 20 LEU HD13 H 1 0.519 0.04 . 1 . . . A 3515 LEU HD13 . 11504 1 268 . 1 1 20 20 LEU HD21 H 1 0.120 0.04 . 1 . . . A 3515 LEU HD21 . 11504 1 269 . 1 1 20 20 LEU HD22 H 1 0.120 0.04 . 1 . . . A 3515 LEU HD22 . 11504 1 270 . 1 1 20 20 LEU HD23 H 1 0.120 0.04 . 1 . . . A 3515 LEU HD23 . 11504 1 271 . 1 1 20 20 LEU C C 13 174.717 0.40 . 1 . . . A 3515 LEU C . 11504 1 272 . 1 1 20 20 LEU CA C 13 55.869 0.40 . 1 . . . A 3515 LEU CA . 11504 1 273 . 1 1 20 20 LEU CB C 13 44.313 0.40 . 1 . . . A 3515 LEU CB . 11504 1 274 . 1 1 20 20 LEU CG C 13 27.842 0.40 . 1 . . . A 3515 LEU CG . 11504 1 275 . 1 1 20 20 LEU CD1 C 13 24.520 0.40 . 1 . . . A 3515 LEU CD1 . 11504 1 276 . 1 1 20 20 LEU CD2 C 13 25.042 0.40 . 1 . . . A 3515 LEU CD2 . 11504 1 277 . 1 1 20 20 LEU N N 15 125.052 0.40 . 1 . . . A 3515 LEU N . 11504 1 278 . 1 1 21 21 LYS H H 1 9.465 0.04 . 1 . . . A 3516 LYS H . 11504 1 279 . 1 1 21 21 LYS HA H 1 3.574 0.04 . 1 . . . A 3516 LYS HA . 11504 1 280 . 1 1 21 21 LYS HB2 H 1 2.011 0.04 . 1 . . . A 3516 LYS HB2 . 11504 1 281 . 1 1 21 21 LYS HB3 H 1 1.654 0.04 . 1 . . . A 3516 LYS HB3 . 11504 1 282 . 1 1 21 21 LYS HG2 H 1 1.528 0.04 . 2 . . . A 3516 LYS HG2 . 11504 1 283 . 1 1 21 21 LYS HG3 H 1 1.448 0.04 . 2 . . . A 3516 LYS HG3 . 11504 1 284 . 1 1 21 21 LYS HD2 H 1 1.297 0.04 . 2 . . . A 3516 LYS HD2 . 11504 1 285 . 1 1 21 21 LYS HD3 H 1 1.030 0.04 . 2 . . . A 3516 LYS HD3 . 11504 1 286 . 1 1 21 21 LYS HE2 H 1 2.761 0.04 . 2 . . . A 3516 LYS HE2 . 11504 1 287 . 1 1 21 21 LYS HE3 H 1 2.542 0.04 . 2 . . . A 3516 LYS HE3 . 11504 1 288 . 1 1 21 21 LYS C C 13 176.694 0.40 . 1 . . . A 3516 LYS C . 11504 1 289 . 1 1 21 21 LYS CA C 13 58.570 0.40 . 1 . . . A 3516 LYS CA . 11504 1 290 . 1 1 21 21 LYS CB C 13 29.421 0.40 . 1 . . . A 3516 LYS CB . 11504 1 291 . 1 1 21 21 LYS CG C 13 29.622 0.40 . 1 . . . A 3516 LYS CG . 11504 1 292 . 1 1 21 21 LYS CD C 13 25.496 0.40 . 1 . . . A 3516 LYS CD . 11504 1 293 . 1 1 21 21 LYS CE C 13 41.727 0.40 . 1 . . . A 3516 LYS CE . 11504 1 294 . 1 1 21 21 LYS N N 15 126.910 0.40 . 1 . . . A 3516 LYS N . 11504 1 295 . 1 1 22 22 ASN H H 1 8.509 0.04 . 1 . . . A 3517 ASN H . 11504 1 296 . 1 1 22 22 ASN HA H 1 4.882 0.04 . 1 . . . A 3517 ASN HA . 11504 1 297 . 1 1 22 22 ASN HB2 H 1 2.689 0.04 . 1 . . . A 3517 ASN HB2 . 11504 1 298 . 1 1 22 22 ASN HB3 H 1 2.968 0.04 . 1 . . . A 3517 ASN HB3 . 11504 1 299 . 1 1 22 22 ASN C C 13 174.226 0.40 . 1 . . . A 3517 ASN C . 11504 1 300 . 1 1 22 22 ASN CA C 13 53.747 0.40 . 1 . . . A 3517 ASN CA . 11504 1 301 . 1 1 22 22 ASN CB C 13 38.821 0.40 . 1 . . . A 3517 ASN CB . 11504 1 302 . 1 1 22 22 ASN N N 15 123.280 0.40 . 1 . . . A 3517 ASN N . 11504 1 303 . 1 1 23 23 ASP H H 1 8.168 0.04 . 1 . . . A 3518 ASP H . 11504 1 304 . 1 1 23 23 ASP HA H 1 5.105 0.04 . 1 . . . A 3518 ASP HA . 11504 1 305 . 1 1 23 23 ASP HB2 H 1 2.314 0.04 . 2 . . . A 3518 ASP HB2 . 11504 1 306 . 1 1 23 23 ASP HB3 H 1 2.365 0.04 . 2 . . . A 3518 ASP HB3 . 11504 1 307 . 1 1 23 23 ASP C C 13 175.654 0.40 . 1 . . . A 3518 ASP C . 11504 1 308 . 1 1 23 23 ASP CA C 13 54.764 0.40 . 1 . . . A 3518 ASP CA . 11504 1 309 . 1 1 23 23 ASP CB C 13 45.336 0.40 . 1 . . . A 3518 ASP CB . 11504 1 310 . 1 1 23 23 ASP N N 15 121.686 0.40 . 1 . . . A 3518 ASP N . 11504 1 311 . 1 1 24 24 THR H H 1 8.514 0.04 . 1 . . . A 3519 THR H . 11504 1 312 . 1 1 24 24 THR HA H 1 5.763 0.04 . 1 . . . A 3519 THR HA . 11504 1 313 . 1 1 24 24 THR HB H 1 4.134 0.04 . 1 . . . A 3519 THR HB . 11504 1 314 . 1 1 24 24 THR HG21 H 1 1.115 0.04 . 1 . . . A 3519 THR HG21 . 11504 1 315 . 1 1 24 24 THR HG22 H 1 1.115 0.04 . 1 . . . A 3519 THR HG22 . 11504 1 316 . 1 1 24 24 THR HG23 H 1 1.115 0.04 . 1 . . . A 3519 THR HG23 . 11504 1 317 . 1 1 24 24 THR C C 13 173.970 0.40 . 1 . . . A 3519 THR C . 11504 1 318 . 1 1 24 24 THR CA C 13 59.762 0.40 . 1 . . . A 3519 THR CA . 11504 1 319 . 1 1 24 24 THR CB C 13 73.458 0.40 . 1 . . . A 3519 THR CB . 11504 1 320 . 1 1 24 24 THR CG2 C 13 21.477 0.40 . 1 . . . A 3519 THR CG2 . 11504 1 321 . 1 1 24 24 THR N N 15 111.917 0.40 . 1 . . . A 3519 THR N . 11504 1 322 . 1 1 25 25 ALA H H 1 8.531 0.04 . 1 . . . A 3520 ALA H . 11504 1 323 . 1 1 25 25 ALA HA H 1 4.771 0.04 . 1 . . . A 3520 ALA HA . 11504 1 324 . 1 1 25 25 ALA HB1 H 1 0.898 0.04 . 1 . . . A 3520 ALA HB1 . 11504 1 325 . 1 1 25 25 ALA HB2 H 1 0.898 0.04 . 1 . . . A 3520 ALA HB2 . 11504 1 326 . 1 1 25 25 ALA HB3 H 1 0.898 0.04 . 1 . . . A 3520 ALA HB3 . 11504 1 327 . 1 1 25 25 ALA C C 13 174.564 0.40 . 1 . . . A 3520 ALA C . 11504 1 328 . 1 1 25 25 ALA CA C 13 51.741 0.40 . 1 . . . A 3520 ALA CA . 11504 1 329 . 1 1 25 25 ALA CB C 13 21.969 0.40 . 1 . . . A 3520 ALA CB . 11504 1 330 . 1 1 25 25 ALA N N 15 123.276 0.40 . 1 . . . A 3520 ALA N . 11504 1 331 . 1 1 26 26 ALA H H 1 8.498 0.04 . 1 . . . A 3521 ALA H . 11504 1 332 . 1 1 26 26 ALA HA H 1 4.800 0.04 . 1 . . . A 3521 ALA HA . 11504 1 333 . 1 1 26 26 ALA HB1 H 1 1.169 0.04 . 1 . . . A 3521 ALA HB1 . 11504 1 334 . 1 1 26 26 ALA HB2 H 1 1.169 0.04 . 1 . . . A 3521 ALA HB2 . 11504 1 335 . 1 1 26 26 ALA HB3 H 1 1.169 0.04 . 1 . . . A 3521 ALA HB3 . 11504 1 336 . 1 1 26 26 ALA C C 13 176.940 0.40 . 1 . . . A 3521 ALA C . 11504 1 337 . 1 1 26 26 ALA CA C 13 51.401 0.40 . 1 . . . A 3521 ALA CA . 11504 1 338 . 1 1 26 26 ALA CB C 13 18.816 0.40 . 1 . . . A 3521 ALA CB . 11504 1 339 . 1 1 26 26 ALA N N 15 128.846 0.40 . 1 . . . A 3521 ALA N . 11504 1 340 . 1 1 27 27 VAL H H 1 8.809 0.04 . 1 . . . A 3522 VAL H . 11504 1 341 . 1 1 27 27 VAL HA H 1 5.262 0.04 . 1 . . . A 3522 VAL HA . 11504 1 342 . 1 1 27 27 VAL HB H 1 1.899 0.04 . 1 . . . A 3522 VAL HB . 11504 1 343 . 1 1 27 27 VAL HG11 H 1 0.505 0.04 . 1 . . . A 3522 VAL HG11 . 11504 1 344 . 1 1 27 27 VAL HG12 H 1 0.505 0.04 . 1 . . . A 3522 VAL HG12 . 11504 1 345 . 1 1 27 27 VAL HG13 H 1 0.505 0.04 . 1 . . . A 3522 VAL HG13 . 11504 1 346 . 1 1 27 27 VAL HG21 H 1 0.743 0.04 . 1 . . . A 3522 VAL HG21 . 11504 1 347 . 1 1 27 27 VAL HG22 H 1 0.743 0.04 . 1 . . . A 3522 VAL HG22 . 11504 1 348 . 1 1 27 27 VAL HG23 H 1 0.743 0.04 . 1 . . . A 3522 VAL HG23 . 11504 1 349 . 1 1 27 27 VAL C C 13 174.260 0.40 . 1 . . . A 3522 VAL C . 11504 1 350 . 1 1 27 27 VAL CA C 13 58.377 0.40 . 1 . . . A 3522 VAL CA . 11504 1 351 . 1 1 27 27 VAL CB C 13 36.701 0.40 . 1 . . . A 3522 VAL CB . 11504 1 352 . 1 1 27 27 VAL CG1 C 13 21.550 0.40 . 1 . . . A 3522 VAL CG1 . 11504 1 353 . 1 1 27 27 VAL CG2 C 13 18.303 0.40 . 1 . . . A 3522 VAL CG2 . 11504 1 354 . 1 1 27 27 VAL N N 15 114.817 0.40 . 1 . . . A 3522 VAL N . 11504 1 355 . 1 1 28 28 GLN H H 1 9.113 0.04 . 1 . . . A 3523 GLN H . 11504 1 356 . 1 1 28 28 GLN HA H 1 5.059 0.04 . 1 . . . A 3523 GLN HA . 11504 1 357 . 1 1 28 28 GLN HB2 H 1 1.769 0.04 . 1 . . . A 3523 GLN HB2 . 11504 1 358 . 1 1 28 28 GLN HB3 H 1 1.907 0.04 . 1 . . . A 3523 GLN HB3 . 11504 1 359 . 1 1 28 28 GLN HG2 H 1 2.280 0.04 . 2 . . . A 3523 GLN HG2 . 11504 1 360 . 1 1 28 28 GLN HG3 H 1 2.478 0.04 . 2 . . . A 3523 GLN HG3 . 11504 1 361 . 1 1 28 28 GLN C C 13 174.250 0.40 . 1 . . . A 3523 GLN C . 11504 1 362 . 1 1 28 28 GLN CA C 13 52.988 0.40 . 1 . . . A 3523 GLN CA . 11504 1 363 . 1 1 28 28 GLN CB C 13 31.408 0.40 . 1 . . . A 3523 GLN CB . 11504 1 364 . 1 1 28 28 GLN CG C 13 33.149 0.40 . 1 . . . A 3523 GLN CG . 11504 1 365 . 1 1 28 28 GLN N N 15 118.773 0.40 . 1 . . . A 3523 GLN N . 11504 1 366 . 1 1 29 29 LEU H H 1 8.942 0.04 . 1 . . . A 3524 LEU H . 11504 1 367 . 1 1 29 29 LEU HA H 1 5.283 0.04 . 1 . . . A 3524 LEU HA . 11504 1 368 . 1 1 29 29 LEU HB2 H 1 2.008 0.04 . 1 . . . A 3524 LEU HB2 . 11504 1 369 . 1 1 29 29 LEU HB3 H 1 1.233 0.04 . 1 . . . A 3524 LEU HB3 . 11504 1 370 . 1 1 29 29 LEU HG H 1 1.832 0.04 . 1 . . . A 3524 LEU HG . 11504 1 371 . 1 1 29 29 LEU HD11 H 1 0.673 0.04 . 1 . . . A 3524 LEU HD11 . 11504 1 372 . 1 1 29 29 LEU HD12 H 1 0.673 0.04 . 1 . . . A 3524 LEU HD12 . 11504 1 373 . 1 1 29 29 LEU HD13 H 1 0.673 0.04 . 1 . . . A 3524 LEU HD13 . 11504 1 374 . 1 1 29 29 LEU HD21 H 1 0.727 0.04 . 1 . . . A 3524 LEU HD21 . 11504 1 375 . 1 1 29 29 LEU HD22 H 1 0.727 0.04 . 1 . . . A 3524 LEU HD22 . 11504 1 376 . 1 1 29 29 LEU HD23 H 1 0.727 0.04 . 1 . . . A 3524 LEU HD23 . 11504 1 377 . 1 1 29 29 LEU C C 13 175.360 0.40 . 1 . . . A 3524 LEU C . 11504 1 378 . 1 1 29 29 LEU CA C 13 52.867 0.40 . 1 . . . A 3524 LEU CA . 11504 1 379 . 1 1 29 29 LEU CB C 13 42.919 0.40 . 1 . . . A 3524 LEU CB . 11504 1 380 . 1 1 29 29 LEU CG C 13 27.672 0.40 . 1 . . . A 3524 LEU CG . 11504 1 381 . 1 1 29 29 LEU CD1 C 13 25.999 0.40 . 1 . . . A 3524 LEU CD1 . 11504 1 382 . 1 1 29 29 LEU CD2 C 13 25.381 0.40 . 1 . . . A 3524 LEU CD2 . 11504 1 383 . 1 1 29 29 LEU N N 15 122.610 0.40 . 1 . . . A 3524 LEU N . 11504 1 384 . 1 1 30 30 HIS H H 1 9.598 0.04 . 1 . . . A 3525 HIS H . 11504 1 385 . 1 1 30 30 HIS HA H 1 4.894 0.04 . 1 . . . A 3525 HIS HA . 11504 1 386 . 1 1 30 30 HIS HB2 H 1 2.912 0.04 . 2 . . . A 3525 HIS HB2 . 11504 1 387 . 1 1 30 30 HIS HB3 H 1 2.833 0.04 . 2 . . . A 3525 HIS HB3 . 11504 1 388 . 1 1 30 30 HIS C C 13 175.977 0.40 . 1 . . . A 3525 HIS C . 11504 1 389 . 1 1 30 30 HIS CA C 13 55.075 0.40 . 1 . . . A 3525 HIS CA . 11504 1 390 . 1 1 30 30 HIS CB C 13 29.850 0.40 . 1 . . . A 3525 HIS CB . 11504 1 391 . 1 1 30 30 HIS N N 15 125.501 0.40 . 1 . . . A 3525 HIS N . 11504 1 392 . 1 1 31 31 PHE H H 1 9.399 0.04 . 1 . . . A 3526 PHE H . 11504 1 393 . 1 1 31 31 PHE HA H 1 4.258 0.04 . 1 . . . A 3526 PHE HA . 11504 1 394 . 1 1 31 31 PHE HB2 H 1 2.954 0.04 . 2 . . . A 3526 PHE HB2 . 11504 1 395 . 1 1 31 31 PHE HB3 H 1 2.921 0.04 . 2 . . . A 3526 PHE HB3 . 11504 1 396 . 1 1 31 31 PHE HD1 H 1 6.951 0.04 . 3 . . . A 3526 PHE HD1 . 11504 1 397 . 1 1 31 31 PHE C C 13 173.136 0.40 . 1 . . . A 3526 PHE C . 11504 1 398 . 1 1 31 31 PHE CA C 13 59.586 0.40 . 1 . . . A 3526 PHE CA . 11504 1 399 . 1 1 31 31 PHE CB C 13 39.803 0.40 . 1 . . . A 3526 PHE CB . 11504 1 400 . 1 1 31 31 PHE CD1 C 13 130.995 0.40 . 3 . . . A 3526 PHE CD1 . 11504 1 401 . 1 1 31 31 PHE N N 15 126.754 0.40 . 1 . . . A 3526 PHE N . 11504 1 402 . 1 1 32 32 VAL H H 1 7.809 0.04 . 1 . . . A 3527 VAL H . 11504 1 403 . 1 1 32 32 VAL HA H 1 4.224 0.04 . 1 . . . A 3527 VAL HA . 11504 1 404 . 1 1 32 32 VAL HB H 1 1.583 0.04 . 1 . . . A 3527 VAL HB . 11504 1 405 . 1 1 32 32 VAL HG11 H 1 0.644 0.04 . 1 . . . A 3527 VAL HG11 . 11504 1 406 . 1 1 32 32 VAL HG12 H 1 0.644 0.04 . 1 . . . A 3527 VAL HG12 . 11504 1 407 . 1 1 32 32 VAL HG13 H 1 0.644 0.04 . 1 . . . A 3527 VAL HG13 . 11504 1 408 . 1 1 32 32 VAL HG21 H 1 0.505 0.04 . 1 . . . A 3527 VAL HG21 . 11504 1 409 . 1 1 32 32 VAL HG22 H 1 0.505 0.04 . 1 . . . A 3527 VAL HG22 . 11504 1 410 . 1 1 32 32 VAL HG23 H 1 0.505 0.04 . 1 . . . A 3527 VAL HG23 . 11504 1 411 . 1 1 32 32 VAL C C 13 174.659 0.40 . 1 . . . A 3527 VAL C . 11504 1 412 . 1 1 32 32 VAL CA C 13 63.910 0.40 . 1 . . . A 3527 VAL CA . 11504 1 413 . 1 1 32 32 VAL CB C 13 33.079 0.40 . 1 . . . A 3527 VAL CB . 11504 1 414 . 1 1 32 32 VAL CG1 C 13 22.250 0.40 . 1 . . . A 3527 VAL CG1 . 11504 1 415 . 1 1 32 32 VAL CG2 C 13 21.435 0.40 . 1 . . . A 3527 VAL CG2 . 11504 1 416 . 1 1 32 32 VAL N N 15 126.760 0.40 . 1 . . . A 3527 VAL N . 11504 1 417 . 1 1 33 33 SER H H 1 7.102 0.04 . 1 . . . A 3528 SER H . 11504 1 418 . 1 1 33 33 SER HA H 1 4.314 0.04 . 1 . . . A 3528 SER HA . 11504 1 419 . 1 1 33 33 SER HB2 H 1 3.937 0.04 . 2 . . . A 3528 SER HB2 . 11504 1 420 . 1 1 33 33 SER HB3 H 1 3.638 0.04 . 2 . . . A 3528 SER HB3 . 11504 1 421 . 1 1 33 33 SER C C 13 171.815 0.40 . 1 . . . A 3528 SER C . 11504 1 422 . 1 1 33 33 SER CA C 13 58.120 0.40 . 1 . . . A 3528 SER CA . 11504 1 423 . 1 1 33 33 SER CB C 13 64.655 0.40 . 1 . . . A 3528 SER CB . 11504 1 424 . 1 1 33 33 SER N N 15 111.049 0.40 . 1 . . . A 3528 SER N . 11504 1 425 . 1 1 34 34 GLY H H 1 8.614 0.04 . 1 . . . A 3529 GLY H . 11504 1 426 . 1 1 34 34 GLY HA2 H 1 3.586 0.04 . 2 . . . A 3529 GLY HA2 . 11504 1 427 . 1 1 34 34 GLY HA3 H 1 3.309 0.04 . 2 . . . A 3529 GLY HA3 . 11504 1 428 . 1 1 34 34 GLY C C 13 173.609 0.40 . 1 . . . A 3529 GLY C . 11504 1 429 . 1 1 34 34 GLY CA C 13 44.691 0.40 . 1 . . . A 3529 GLY CA . 11504 1 430 . 1 1 34 34 GLY N N 15 112.793 0.40 . 1 . . . A 3529 GLY N . 11504 1 431 . 1 1 35 35 ASN H H 1 9.188 0.04 . 1 . . . A 3530 ASN H . 11504 1 432 . 1 1 35 35 ASN HA H 1 4.839 0.04 . 1 . . . A 3530 ASN HA . 11504 1 433 . 1 1 35 35 ASN HB2 H 1 3.149 0.04 . 1 . . . A 3530 ASN HB2 . 11504 1 434 . 1 1 35 35 ASN HB3 H 1 2.840 0.04 . 1 . . . A 3530 ASN HB3 . 11504 1 435 . 1 1 35 35 ASN C C 13 176.330 0.40 . 1 . . . A 3530 ASN C . 11504 1 436 . 1 1 35 35 ASN CA C 13 51.482 0.40 . 1 . . . A 3530 ASN CA . 11504 1 437 . 1 1 35 35 ASN CB C 13 38.015 0.40 . 1 . . . A 3530 ASN CB . 11504 1 438 . 1 1 35 35 ASN N N 15 123.128 0.40 . 1 . . . A 3530 ASN N . 11504 1 439 . 1 1 36 36 ASN H H 1 9.111 0.04 . 1 . . . A 3531 ASN H . 11504 1 440 . 1 1 36 36 ASN HA H 1 4.035 0.04 . 1 . . . A 3531 ASN HA . 11504 1 441 . 1 1 36 36 ASN HB2 H 1 2.213 0.04 . 1 . . . A 3531 ASN HB2 . 11504 1 442 . 1 1 36 36 ASN HB3 H 1 1.903 0.04 . 1 . . . A 3531 ASN HB3 . 11504 1 443 . 1 1 36 36 ASN C C 13 176.382 0.40 . 1 . . . A 3531 ASN C . 11504 1 444 . 1 1 36 36 ASN CA C 13 55.960 0.40 . 1 . . . A 3531 ASN CA . 11504 1 445 . 1 1 36 36 ASN CB C 13 36.736 0.40 . 1 . . . A 3531 ASN CB . 11504 1 446 . 1 1 36 36 ASN N N 15 125.849 0.40 . 1 . . . A 3531 ASN N . 11504 1 447 . 1 1 37 37 VAL H H 1 7.703 0.04 . 1 . . . A 3532 VAL H . 11504 1 448 . 1 1 37 37 VAL HA H 1 3.568 0.04 . 1 . . . A 3532 VAL HA . 11504 1 449 . 1 1 37 37 VAL HB H 1 2.002 0.04 . 1 . . . A 3532 VAL HB . 11504 1 450 . 1 1 37 37 VAL HG11 H 1 0.873 0.04 . 1 . . . A 3532 VAL HG11 . 11504 1 451 . 1 1 37 37 VAL HG12 H 1 0.873 0.04 . 1 . . . A 3532 VAL HG12 . 11504 1 452 . 1 1 37 37 VAL HG13 H 1 0.873 0.04 . 1 . . . A 3532 VAL HG13 . 11504 1 453 . 1 1 37 37 VAL HG21 H 1 1.003 0.04 . 1 . . . A 3532 VAL HG21 . 11504 1 454 . 1 1 37 37 VAL HG22 H 1 1.003 0.04 . 1 . . . A 3532 VAL HG22 . 11504 1 455 . 1 1 37 37 VAL HG23 H 1 1.003 0.04 . 1 . . . A 3532 VAL HG23 . 11504 1 456 . 1 1 37 37 VAL C C 13 177.677 0.40 . 1 . . . A 3532 VAL C . 11504 1 457 . 1 1 37 37 VAL CA C 13 65.508 0.40 . 1 . . . A 3532 VAL CA . 11504 1 458 . 1 1 37 37 VAL CB C 13 31.346 0.40 . 1 . . . A 3532 VAL CB . 11504 1 459 . 1 1 37 37 VAL CG1 C 13 20.817 0.40 . 1 . . . A 3532 VAL CG1 . 11504 1 460 . 1 1 37 37 VAL CG2 C 13 22.512 0.40 . 1 . . . A 3532 VAL CG2 . 11504 1 461 . 1 1 37 37 VAL N N 15 122.888 0.40 . 1 . . . A 3532 VAL N . 11504 1 462 . 1 1 38 38 LEU H H 1 7.162 0.04 . 1 . . . A 3533 LEU H . 11504 1 463 . 1 1 38 38 LEU HA H 1 3.612 0.04 . 1 . . . A 3533 LEU HA . 11504 1 464 . 1 1 38 38 LEU HB2 H 1 1.531 0.04 . 1 . . . A 3533 LEU HB2 . 11504 1 465 . 1 1 38 38 LEU HB3 H 1 1.178 0.04 . 1 . . . A 3533 LEU HB3 . 11504 1 466 . 1 1 38 38 LEU HG H 1 1.502 0.04 . 1 . . . A 3533 LEU HG . 11504 1 467 . 1 1 38 38 LEU HD11 H 1 0.763 0.04 . 1 . . . A 3533 LEU HD11 . 11504 1 468 . 1 1 38 38 LEU HD12 H 1 0.763 0.04 . 1 . . . A 3533 LEU HD12 . 11504 1 469 . 1 1 38 38 LEU HD13 H 1 0.763 0.04 . 1 . . . A 3533 LEU HD13 . 11504 1 470 . 1 1 38 38 LEU HD21 H 1 0.772 0.04 . 1 . . . A 3533 LEU HD21 . 11504 1 471 . 1 1 38 38 LEU HD22 H 1 0.772 0.04 . 1 . . . A 3533 LEU HD22 . 11504 1 472 . 1 1 38 38 LEU HD23 H 1 0.772 0.04 . 1 . . . A 3533 LEU HD23 . 11504 1 473 . 1 1 38 38 LEU C C 13 179.600 0.40 . 1 . . . A 3533 LEU C . 11504 1 474 . 1 1 38 38 LEU CA C 13 57.486 0.40 . 1 . . . A 3533 LEU CA . 11504 1 475 . 1 1 38 38 LEU CB C 13 41.269 0.40 . 1 . . . A 3533 LEU CB . 11504 1 476 . 1 1 38 38 LEU CG C 13 27.800 0.40 . 1 . . . A 3533 LEU CG . 11504 1 477 . 1 1 38 38 LEU CD1 C 13 24.754 0.40 . 1 . . . A 3533 LEU CD1 . 11504 1 478 . 1 1 38 38 LEU CD2 C 13 23.272 0.40 . 1 . . . A 3533 LEU CD2 . 11504 1 479 . 1 1 38 38 LEU N N 15 118.446 0.40 . 1 . . . A 3533 LEU N . 11504 1 480 . 1 1 39 39 ALA H H 1 6.851 0.04 . 1 . . . A 3534 ALA H . 11504 1 481 . 1 1 39 39 ALA HA H 1 3.683 0.04 . 1 . . . A 3534 ALA HA . 11504 1 482 . 1 1 39 39 ALA HB1 H 1 1.368 0.04 . 1 . . . A 3534 ALA HB1 . 11504 1 483 . 1 1 39 39 ALA HB2 H 1 1.368 0.04 . 1 . . . A 3534 ALA HB2 . 11504 1 484 . 1 1 39 39 ALA HB3 H 1 1.368 0.04 . 1 . . . A 3534 ALA HB3 . 11504 1 485 . 1 1 39 39 ALA C C 13 177.228 0.40 . 1 . . . A 3534 ALA C . 11504 1 486 . 1 1 39 39 ALA CA C 13 54.785 0.40 . 1 . . . A 3534 ALA CA . 11504 1 487 . 1 1 39 39 ALA CB C 13 17.549 0.40 . 1 . . . A 3534 ALA CB . 11504 1 488 . 1 1 39 39 ALA N N 15 121.755 0.40 . 1 . . . A 3534 ALA N . 11504 1 489 . 1 1 40 40 HIS H H 1 7.294 0.04 . 1 . . . A 3535 HIS H . 11504 1 490 . 1 1 40 40 HIS HA H 1 4.282 0.04 . 1 . . . A 3535 HIS HA . 11504 1 491 . 1 1 40 40 HIS HB2 H 1 3.173 0.04 . 2 . . . A 3535 HIS HB2 . 11504 1 492 . 1 1 40 40 HIS HB3 H 1 3.148 0.04 . 2 . . . A 3535 HIS HB3 . 11504 1 493 . 1 1 40 40 HIS C C 13 177.806 0.40 . 1 . . . A 3535 HIS C . 11504 1 494 . 1 1 40 40 HIS CA C 13 58.338 0.40 . 1 . . . A 3535 HIS CA . 11504 1 495 . 1 1 40 40 HIS CB C 13 29.896 0.40 . 1 . . . A 3535 HIS CB . 11504 1 496 . 1 1 40 40 HIS N N 15 117.233 0.40 . 1 . . . A 3535 HIS N . 11504 1 497 . 1 1 41 41 ARG H H 1 7.812 0.04 . 1 . . . A 3536 ARG H . 11504 1 498 . 1 1 41 41 ARG HA H 1 4.067 0.04 . 1 . . . A 3536 ARG HA . 11504 1 499 . 1 1 41 41 ARG HB2 H 1 1.799 0.04 . 1 . . . A 3536 ARG HB2 . 11504 1 500 . 1 1 41 41 ARG HB3 H 1 1.361 0.04 . 1 . . . A 3536 ARG HB3 . 11504 1 501 . 1 1 41 41 ARG HG2 H 1 1.794 0.04 . 2 . . . A 3536 ARG HG2 . 11504 1 502 . 1 1 41 41 ARG HG3 H 1 1.668 0.04 . 2 . . . A 3536 ARG HG3 . 11504 1 503 . 1 1 41 41 ARG HD2 H 1 3.142 0.04 . 2 . . . A 3536 ARG HD2 . 11504 1 504 . 1 1 41 41 ARG HD3 H 1 2.972 0.04 . 2 . . . A 3536 ARG HD3 . 11504 1 505 . 1 1 41 41 ARG C C 13 176.892 0.40 . 1 . . . A 3536 ARG C . 11504 1 506 . 1 1 41 41 ARG CA C 13 57.440 0.40 . 1 . . . A 3536 ARG CA . 11504 1 507 . 1 1 41 41 ARG CB C 13 31.189 0.40 . 1 . . . A 3536 ARG CB . 11504 1 508 . 1 1 41 41 ARG CG C 13 27.584 0.40 . 1 . . . A 3536 ARG CG . 11504 1 509 . 1 1 41 41 ARG CD C 13 43.379 0.40 . 1 . . . A 3536 ARG CD . 11504 1 510 . 1 1 41 41 ARG N N 15 115.282 0.40 . 1 . . . A 3536 ARG N . 11504 1 511 . 1 1 42 42 SER H H 1 7.008 0.04 . 1 . . . A 3537 SER H . 11504 1 512 . 1 1 42 42 SER HA H 1 4.036 0.04 . 1 . . . A 3537 SER HA . 11504 1 513 . 1 1 42 42 SER HB2 H 1 3.317 0.04 . 1 . . . A 3537 SER HB2 . 11504 1 514 . 1 1 42 42 SER HB3 H 1 2.980 0.04 . 1 . . . A 3537 SER HB3 . 11504 1 515 . 1 1 42 42 SER C C 13 172.829 0.40 . 1 . . . A 3537 SER C . 11504 1 516 . 1 1 42 42 SER CA C 13 59.705 0.40 . 1 . . . A 3537 SER CA . 11504 1 517 . 1 1 42 42 SER CB C 13 64.794 0.40 . 1 . . . A 3537 SER CB . 11504 1 518 . 1 1 42 42 SER N N 15 113.269 0.40 . 1 . . . A 3537 SER N . 11504 1 519 . 1 1 43 43 LEU H H 1 7.004 0.04 . 1 . . . A 3538 LEU H . 11504 1 520 . 1 1 43 43 LEU HA H 1 4.322 0.04 . 1 . . . A 3538 LEU HA . 11504 1 521 . 1 1 43 43 LEU HB2 H 1 1.450 0.04 . 2 . . . A 3538 LEU HB2 . 11504 1 522 . 1 1 43 43 LEU HB3 H 1 0.273 0.04 . 2 . . . A 3538 LEU HB3 . 11504 1 523 . 1 1 43 43 LEU HG H 1 1.379 0.04 . 1 . . . A 3538 LEU HG . 11504 1 524 . 1 1 43 43 LEU HD11 H 1 0.242 0.04 . 1 . . . A 3538 LEU HD11 . 11504 1 525 . 1 1 43 43 LEU HD12 H 1 0.242 0.04 . 1 . . . A 3538 LEU HD12 . 11504 1 526 . 1 1 43 43 LEU HD13 H 1 0.242 0.04 . 1 . . . A 3538 LEU HD13 . 11504 1 527 . 1 1 43 43 LEU HD21 H 1 -0.144 0.04 . 1 . . . A 3538 LEU HD21 . 11504 1 528 . 1 1 43 43 LEU HD22 H 1 -0.144 0.04 . 1 . . . A 3538 LEU HD22 . 11504 1 529 . 1 1 43 43 LEU HD23 H 1 -0.144 0.04 . 1 . . . A 3538 LEU HD23 . 11504 1 530 . 1 1 43 43 LEU C C 13 174.437 0.40 . 1 . . . A 3538 LEU C . 11504 1 531 . 1 1 43 43 LEU CA C 13 51.795 0.40 . 1 . . . A 3538 LEU CA . 11504 1 532 . 1 1 43 43 LEU CB C 13 40.270 0.40 . 1 . . . A 3538 LEU CB . 11504 1 533 . 1 1 43 43 LEU CG C 13 25.819 0.40 . 1 . . . A 3538 LEU CG . 11504 1 534 . 1 1 43 43 LEU CD1 C 13 25.939 0.40 . 1 . . . A 3538 LEU CD1 . 11504 1 535 . 1 1 43 43 LEU CD2 C 13 22.497 0.40 . 1 . . . A 3538 LEU CD2 . 11504 1 536 . 1 1 43 43 LEU N N 15 123.089 0.40 . 1 . . . A 3538 LEU N . 11504 1 537 . 1 1 44 44 PRO HA H 1 4.452 0.04 . 1 . . . A 3539 PRO HA . 11504 1 538 . 1 1 44 44 PRO HB2 H 1 2.339 0.04 . 2 . . . A 3539 PRO HB2 . 11504 1 539 . 1 1 44 44 PRO HB3 H 1 2.131 0.04 . 2 . . . A 3539 PRO HB3 . 11504 1 540 . 1 1 44 44 PRO HG2 H 1 2.008 0.04 . 2 . . . A 3539 PRO HG2 . 11504 1 541 . 1 1 44 44 PRO HG3 H 1 2.167 0.04 . 2 . . . A 3539 PRO HG3 . 11504 1 542 . 1 1 44 44 PRO HD2 H 1 3.487 0.04 . 2 . . . A 3539 PRO HD2 . 11504 1 543 . 1 1 44 44 PRO HD3 H 1 2.963 0.04 . 2 . . . A 3539 PRO HD3 . 11504 1 544 . 1 1 44 44 PRO C C 13 177.098 0.40 . 1 . . . A 3539 PRO C . 11504 1 545 . 1 1 44 44 PRO CA C 13 62.996 0.40 . 1 . . . A 3539 PRO CA . 11504 1 546 . 1 1 44 44 PRO CB C 13 32.216 0.40 . 1 . . . A 3539 PRO CB . 11504 1 547 . 1 1 44 44 PRO CG C 13 27.499 0.40 . 1 . . . A 3539 PRO CG . 11504 1 548 . 1 1 44 44 PRO CD C 13 49.766 0.40 . 1 . . . A 3539 PRO CD . 11504 1 549 . 1 1 45 45 LEU H H 1 8.378 0.04 . 1 . . . A 3540 LEU H . 11504 1 550 . 1 1 45 45 LEU HA H 1 4.429 0.04 . 1 . . . A 3540 LEU HA . 11504 1 551 . 1 1 45 45 LEU HB2 H 1 1.632 0.04 . 2 . . . A 3540 LEU HB2 . 11504 1 552 . 1 1 45 45 LEU HB3 H 1 1.656 0.04 . 2 . . . A 3540 LEU HB3 . 11504 1 553 . 1 1 45 45 LEU HG H 1 1.723 0.04 . 1 . . . A 3540 LEU HG . 11504 1 554 . 1 1 45 45 LEU HD11 H 1 0.942 0.04 . 1 . . . A 3540 LEU HD11 . 11504 1 555 . 1 1 45 45 LEU HD12 H 1 0.942 0.04 . 1 . . . A 3540 LEU HD12 . 11504 1 556 . 1 1 45 45 LEU HD13 H 1 0.942 0.04 . 1 . . . A 3540 LEU HD13 . 11504 1 557 . 1 1 45 45 LEU HD21 H 1 0.919 0.04 . 1 . . . A 3540 LEU HD21 . 11504 1 558 . 1 1 45 45 LEU HD22 H 1 0.919 0.04 . 1 . . . A 3540 LEU HD22 . 11504 1 559 . 1 1 45 45 LEU HD23 H 1 0.919 0.04 . 1 . . . A 3540 LEU HD23 . 11504 1 560 . 1 1 45 45 LEU C C 13 177.675 0.40 . 1 . . . A 3540 LEU C . 11504 1 561 . 1 1 45 45 LEU CA C 13 55.473 0.40 . 1 . . . A 3540 LEU CA . 11504 1 562 . 1 1 45 45 LEU CB C 13 42.358 0.40 . 1 . . . A 3540 LEU CB . 11504 1 563 . 1 1 45 45 LEU CG C 13 27.006 0.40 . 1 . . . A 3540 LEU CG . 11504 1 564 . 1 1 45 45 LEU CD1 C 13 24.995 0.40 . 1 . . . A 3540 LEU CD1 . 11504 1 565 . 1 1 45 45 LEU CD2 C 13 23.864 0.40 . 1 . . . A 3540 LEU CD2 . 11504 1 566 . 1 1 45 45 LEU N N 15 124.154 0.40 . 1 . . . A 3540 LEU N . 11504 1 567 . 1 1 46 46 SER H H 1 8.227 0.04 . 1 . . . A 3541 SER H . 11504 1 568 . 1 1 46 46 SER HA H 1 4.383 0.04 . 1 . . . A 3541 SER HA . 11504 1 569 . 1 1 46 46 SER HB2 H 1 3.812 0.04 . 2 . . . A 3541 SER HB2 . 11504 1 570 . 1 1 46 46 SER HB3 H 1 3.775 0.04 . 2 . . . A 3541 SER HB3 . 11504 1 571 . 1 1 46 46 SER C C 13 174.501 0.40 . 1 . . . A 3541 SER C . 11504 1 572 . 1 1 46 46 SER CA C 13 59.528 0.40 . 1 . . . A 3541 SER CA . 11504 1 573 . 1 1 46 46 SER CB C 13 63.985 0.40 . 1 . . . A 3541 SER CB . 11504 1 574 . 1 1 46 46 SER N N 15 118.585 0.40 . 1 . . . A 3541 SER N . 11504 1 575 . 1 1 47 47 GLU H H 1 8.321 0.04 . 1 . . . A 3542 GLU H . 11504 1 576 . 1 1 47 47 GLU HA H 1 4.252 0.04 . 1 . . . A 3542 GLU HA . 11504 1 577 . 1 1 47 47 GLU HB2 H 1 1.943 0.04 . 2 . . . A 3542 GLU HB2 . 11504 1 578 . 1 1 47 47 GLU HB3 H 1 1.896 0.04 . 2 . . . A 3542 GLU HB3 . 11504 1 579 . 1 1 47 47 GLU HG2 H 1 2.127 0.04 . 2 . . . A 3542 GLU HG2 . 11504 1 580 . 1 1 47 47 GLU HG3 H 1 2.153 0.04 . 2 . . . A 3542 GLU HG3 . 11504 1 581 . 1 1 47 47 GLU C C 13 176.830 0.40 . 1 . . . A 3542 GLU C . 11504 1 582 . 1 1 47 47 GLU CA C 13 56.714 0.40 . 1 . . . A 3542 GLU CA . 11504 1 583 . 1 1 47 47 GLU CB C 13 29.828 0.40 . 1 . . . A 3542 GLU CB . 11504 1 584 . 1 1 47 47 GLU CG C 13 36.170 0.40 . 1 . . . A 3542 GLU CG . 11504 1 585 . 1 1 47 47 GLU N N 15 124.434 0.40 . 1 . . . A 3542 GLU N . 11504 1 586 . 1 1 48 48 GLY H H 1 8.595 0.04 . 1 . . . A 3543 GLY H . 11504 1 587 . 1 1 48 48 GLY HA2 H 1 3.998 0.04 . 2 . . . A 3543 GLY HA2 . 11504 1 588 . 1 1 48 48 GLY HA3 H 1 3.803 0.04 . 2 . . . A 3543 GLY HA3 . 11504 1 589 . 1 1 48 48 GLY C C 13 174.805 0.40 . 1 . . . A 3543 GLY C . 11504 1 590 . 1 1 48 48 GLY CA C 13 45.620 0.40 . 1 . . . A 3543 GLY CA . 11504 1 591 . 1 1 48 48 GLY N N 15 113.037 0.40 . 1 . . . A 3543 GLY N . 11504 1 592 . 1 1 49 49 GLY H H 1 7.945 0.04 . 1 . . . A 3544 GLY H . 11504 1 593 . 1 1 49 49 GLY HA2 H 1 4.229 0.04 . 2 . . . A 3544 GLY HA2 . 11504 1 594 . 1 1 49 49 GLY HA3 H 1 4.049 0.04 . 2 . . . A 3544 GLY HA3 . 11504 1 595 . 1 1 49 49 GLY C C 13 171.196 0.40 . 1 . . . A 3544 GLY C . 11504 1 596 . 1 1 49 49 GLY CA C 13 44.399 0.40 . 1 . . . A 3544 GLY CA . 11504 1 597 . 1 1 49 49 GLY N N 15 110.341 0.40 . 1 . . . A 3544 GLY N . 11504 1 598 . 1 1 50 50 PRO HA H 1 4.750 0.04 . 1 . . . A 3545 PRO HA . 11504 1 599 . 1 1 50 50 PRO HB2 H 1 2.333 0.04 . 2 . . . A 3545 PRO HB2 . 11504 1 600 . 1 1 50 50 PRO HB3 H 1 2.010 0.04 . 2 . . . A 3545 PRO HB3 . 11504 1 601 . 1 1 50 50 PRO CA C 13 61.574 0.40 . 1 . . . A 3545 PRO CA . 11504 1 602 . 1 1 50 50 PRO CB C 13 30.838 0.40 . 1 . . . A 3545 PRO CB . 11504 1 603 . 1 1 51 51 PRO HA H 1 4.637 0.04 . 1 . . . A 3546 PRO HA . 11504 1 604 . 1 1 51 51 PRO HB2 H 1 1.501 0.04 . 2 . . . A 3546 PRO HB2 . 11504 1 605 . 1 1 51 51 PRO HB3 H 1 1.905 0.04 . 2 . . . A 3546 PRO HB3 . 11504 1 606 . 1 1 51 51 PRO HG2 H 1 1.693 0.04 . 2 . . . A 3546 PRO HG2 . 11504 1 607 . 1 1 51 51 PRO HG3 H 1 1.834 0.04 . 2 . . . A 3546 PRO HG3 . 11504 1 608 . 1 1 51 51 PRO HD2 H 1 3.554 0.04 . 2 . . . A 3546 PRO HD2 . 11504 1 609 . 1 1 51 51 PRO HD3 H 1 3.815 0.04 . 2 . . . A 3546 PRO HD3 . 11504 1 610 . 1 1 51 51 PRO C C 13 176.696 0.40 . 1 . . . A 3546 PRO C . 11504 1 611 . 1 1 51 51 PRO CA C 13 62.346 0.40 . 1 . . . A 3546 PRO CA . 11504 1 612 . 1 1 51 51 PRO CB C 13 32.840 0.40 . 1 . . . A 3546 PRO CB . 11504 1 613 . 1 1 51 51 PRO CG C 13 27.050 0.40 . 1 . . . A 3546 PRO CG . 11504 1 614 . 1 1 51 51 PRO CD C 13 50.346 0.40 . 1 . . . A 3546 PRO CD . 11504 1 615 . 1 1 52 52 LEU H H 1 8.583 0.04 . 1 . . . A 3547 LEU H . 11504 1 616 . 1 1 52 52 LEU HA H 1 4.352 0.04 . 1 . . . A 3547 LEU HA . 11504 1 617 . 1 1 52 52 LEU HB2 H 1 1.629 0.04 . 1 . . . A 3547 LEU HB2 . 11504 1 618 . 1 1 52 52 LEU HB3 H 1 1.359 0.04 . 1 . . . A 3547 LEU HB3 . 11504 1 619 . 1 1 52 52 LEU HG H 1 1.506 0.04 . 1 . . . A 3547 LEU HG . 11504 1 620 . 1 1 52 52 LEU HD11 H 1 0.189 0.04 . 1 . . . A 3547 LEU HD11 . 11504 1 621 . 1 1 52 52 LEU HD12 H 1 0.189 0.04 . 1 . . . A 3547 LEU HD12 . 11504 1 622 . 1 1 52 52 LEU HD13 H 1 0.189 0.04 . 1 . . . A 3547 LEU HD13 . 11504 1 623 . 1 1 52 52 LEU HD21 H 1 0.458 0.04 . 1 . . . A 3547 LEU HD21 . 11504 1 624 . 1 1 52 52 LEU HD22 H 1 0.458 0.04 . 1 . . . A 3547 LEU HD22 . 11504 1 625 . 1 1 52 52 LEU HD23 H 1 0.458 0.04 . 1 . . . A 3547 LEU HD23 . 11504 1 626 . 1 1 52 52 LEU C C 13 174.772 0.40 . 1 . . . A 3547 LEU C . 11504 1 627 . 1 1 52 52 LEU CA C 13 54.438 0.40 . 1 . . . A 3547 LEU CA . 11504 1 628 . 1 1 52 52 LEU CB C 13 42.219 0.40 . 1 . . . A 3547 LEU CB . 11504 1 629 . 1 1 52 52 LEU CG C 13 26.175 0.40 . 1 . . . A 3547 LEU CG . 11504 1 630 . 1 1 52 52 LEU CD1 C 13 24.716 0.40 . 1 . . . A 3547 LEU CD1 . 11504 1 631 . 1 1 52 52 LEU CD2 C 13 23.245 0.40 . 1 . . . A 3547 LEU CD2 . 11504 1 632 . 1 1 52 52 LEU N N 15 125.395 0.40 . 1 . . . A 3547 LEU N . 11504 1 633 . 1 1 53 53 ARG H H 1 8.395 0.04 . 1 . . . A 3548 ARG H . 11504 1 634 . 1 1 53 53 ARG HA H 1 4.734 0.04 . 1 . . . A 3548 ARG HA . 11504 1 635 . 1 1 53 53 ARG HB2 H 1 1.792 0.04 . 1 . . . A 3548 ARG HB2 . 11504 1 636 . 1 1 53 53 ARG HB3 H 1 1.577 0.04 . 1 . . . A 3548 ARG HB3 . 11504 1 637 . 1 1 53 53 ARG HG2 H 1 1.332 0.04 . 2 . . . A 3548 ARG HG2 . 11504 1 638 . 1 1 53 53 ARG HG3 H 1 1.161 0.04 . 2 . . . A 3548 ARG HG3 . 11504 1 639 . 1 1 53 53 ARG HD2 H 1 3.069 0.04 . 2 . . . A 3548 ARG HD2 . 11504 1 640 . 1 1 53 53 ARG HD3 H 1 3.269 0.04 . 2 . . . A 3548 ARG HD3 . 11504 1 641 . 1 1 53 53 ARG HE H 1 7.351 0.04 . 1 . . . A 3548 ARG HE . 11504 1 642 . 1 1 53 53 ARG C C 13 175.518 0.40 . 1 . . . A 3548 ARG C . 11504 1 643 . 1 1 53 53 ARG CA C 13 55.125 0.40 . 1 . . . A 3548 ARG CA . 11504 1 644 . 1 1 53 53 ARG CB C 13 31.943 0.40 . 1 . . . A 3548 ARG CB . 11504 1 645 . 1 1 53 53 ARG CG C 13 27.391 0.40 . 1 . . . A 3548 ARG CG . 11504 1 646 . 1 1 53 53 ARG CD C 13 42.453 0.40 . 1 . . . A 3548 ARG CD . 11504 1 647 . 1 1 53 53 ARG N N 15 128.077 0.40 . 1 . . . A 3548 ARG N . 11504 1 648 . 1 1 53 53 ARG NE N 15 83.972 0.40 . 1 . . . A 3548 ARG NE . 11504 1 649 . 1 1 54 54 ILE H H 1 8.900 0.04 . 1 . . . A 3549 ILE H . 11504 1 650 . 1 1 54 54 ILE HA H 1 3.781 0.04 . 1 . . . A 3549 ILE HA . 11504 1 651 . 1 1 54 54 ILE HB H 1 2.005 0.04 . 1 . . . A 3549 ILE HB . 11504 1 652 . 1 1 54 54 ILE HG12 H 1 0.791 0.04 . 2 . . . A 3549 ILE HG12 . 11504 1 653 . 1 1 54 54 ILE HG13 H 1 1.969 0.04 . 2 . . . A 3549 ILE HG13 . 11504 1 654 . 1 1 54 54 ILE HG21 H 1 0.982 0.04 . 1 . . . A 3549 ILE HG21 . 11504 1 655 . 1 1 54 54 ILE HG22 H 1 0.982 0.04 . 1 . . . A 3549 ILE HG22 . 11504 1 656 . 1 1 54 54 ILE HG23 H 1 0.982 0.04 . 1 . . . A 3549 ILE HG23 . 11504 1 657 . 1 1 54 54 ILE HD11 H 1 1.049 0.04 . 1 . . . A 3549 ILE HD11 . 11504 1 658 . 1 1 54 54 ILE HD12 H 1 1.049 0.04 . 1 . . . A 3549 ILE HD12 . 11504 1 659 . 1 1 54 54 ILE HD13 H 1 1.049 0.04 . 1 . . . A 3549 ILE HD13 . 11504 1 660 . 1 1 54 54 ILE C C 13 173.933 0.40 . 1 . . . A 3549 ILE C . 11504 1 661 . 1 1 54 54 ILE CA C 13 62.984 0.40 . 1 . . . A 3549 ILE CA . 11504 1 662 . 1 1 54 54 ILE CB C 13 37.506 0.40 . 1 . . . A 3549 ILE CB . 11504 1 663 . 1 1 54 54 ILE CG1 C 13 28.524 0.40 . 1 . . . A 3549 ILE CG1 . 11504 1 664 . 1 1 54 54 ILE CG2 C 13 17.987 0.40 . 1 . . . A 3549 ILE CG2 . 11504 1 665 . 1 1 54 54 ILE CD1 C 13 14.147 0.40 . 1 . . . A 3549 ILE CD1 . 11504 1 666 . 1 1 54 54 ILE N N 15 129.487 0.40 . 1 . . . A 3549 ILE N . 11504 1 667 . 1 1 55 55 ALA H H 1 7.997 0.04 . 1 . . . A 3550 ALA H . 11504 1 668 . 1 1 55 55 ALA HA H 1 4.651 0.04 . 1 . . . A 3550 ALA HA . 11504 1 669 . 1 1 55 55 ALA HB1 H 1 1.505 0.04 . 1 . . . A 3550 ALA HB1 . 11504 1 670 . 1 1 55 55 ALA HB2 H 1 1.505 0.04 . 1 . . . A 3550 ALA HB2 . 11504 1 671 . 1 1 55 55 ALA HB3 H 1 1.505 0.04 . 1 . . . A 3550 ALA HB3 . 11504 1 672 . 1 1 55 55 ALA C C 13 176.744 0.40 . 1 . . . A 3550 ALA C . 11504 1 673 . 1 1 55 55 ALA CA C 13 52.023 0.40 . 1 . . . A 3550 ALA CA . 11504 1 674 . 1 1 55 55 ALA CB C 13 21.884 0.40 . 1 . . . A 3550 ALA CB . 11504 1 675 . 1 1 55 55 ALA N N 15 132.298 0.40 . 1 . . . A 3550 ALA N . 11504 1 676 . 1 1 56 56 GLN H H 1 7.893 0.04 . 1 . . . A 3551 GLN H . 11504 1 677 . 1 1 56 56 GLN HA H 1 4.993 0.04 . 1 . . . A 3551 GLN HA . 11504 1 678 . 1 1 56 56 GLN HB2 H 1 1.654 0.04 . 1 . . . A 3551 GLN HB2 . 11504 1 679 . 1 1 56 56 GLN HB3 H 1 1.997 0.04 . 1 . . . A 3551 GLN HB3 . 11504 1 680 . 1 1 56 56 GLN HG2 H 1 2.189 0.04 . 2 . . . A 3551 GLN HG2 . 11504 1 681 . 1 1 56 56 GLN HG3 H 1 2.230 0.04 . 2 . . . A 3551 GLN HG3 . 11504 1 682 . 1 1 56 56 GLN C C 13 173.558 0.40 . 1 . . . A 3551 GLN C . 11504 1 683 . 1 1 56 56 GLN CA C 13 54.106 0.40 . 1 . . . A 3551 GLN CA . 11504 1 684 . 1 1 56 56 GLN CB C 13 35.053 0.40 . 1 . . . A 3551 GLN CB . 11504 1 685 . 1 1 56 56 GLN CG C 13 35.205 0.40 . 1 . . . A 3551 GLN CG . 11504 1 686 . 1 1 56 56 GLN N N 15 118.501 0.40 . 1 . . . A 3551 GLN N . 11504 1 687 . 1 1 57 57 ARG H H 1 9.148 0.04 . 1 . . . A 3552 ARG H . 11504 1 688 . 1 1 57 57 ARG HA H 1 5.253 0.04 . 1 . . . A 3552 ARG HA . 11504 1 689 . 1 1 57 57 ARG HB2 H 1 1.614 0.04 . 1 . . . A 3552 ARG HB2 . 11504 1 690 . 1 1 57 57 ARG HB3 H 1 1.454 0.04 . 1 . . . A 3552 ARG HB3 . 11504 1 691 . 1 1 57 57 ARG HG2 H 1 1.429 0.04 . 2 . . . A 3552 ARG HG2 . 11504 1 692 . 1 1 57 57 ARG HG3 H 1 1.323 0.04 . 2 . . . A 3552 ARG HG3 . 11504 1 693 . 1 1 57 57 ARG HD2 H 1 2.862 0.04 . 2 . . . A 3552 ARG HD2 . 11504 1 694 . 1 1 57 57 ARG HD3 H 1 2.605 0.04 . 2 . . . A 3552 ARG HD3 . 11504 1 695 . 1 1 57 57 ARG HE H 1 7.667 0.04 . 1 . . . A 3552 ARG HE . 11504 1 696 . 1 1 57 57 ARG C C 13 172.891 0.40 . 1 . . . A 3552 ARG C . 11504 1 697 . 1 1 57 57 ARG CA C 13 54.410 0.40 . 1 . . . A 3552 ARG CA . 11504 1 698 . 1 1 57 57 ARG CB C 13 33.521 0.40 . 1 . . . A 3552 ARG CB . 11504 1 699 . 1 1 57 57 ARG CG C 13 27.142 0.40 . 1 . . . A 3552 ARG CG . 11504 1 700 . 1 1 57 57 ARG CD C 13 42.888 0.40 . 1 . . . A 3552 ARG CD . 11504 1 701 . 1 1 57 57 ARG N N 15 117.920 0.40 . 1 . . . A 3552 ARG N . 11504 1 702 . 1 1 57 57 ARG NE N 15 84.796 0.40 . 1 . . . A 3552 ARG NE . 11504 1 703 . 1 1 58 58 MET H H 1 8.961 0.04 . 1 . . . A 3553 MET H . 11504 1 704 . 1 1 58 58 MET HA H 1 4.958 0.04 . 1 . . . A 3553 MET HA . 11504 1 705 . 1 1 58 58 MET HB2 H 1 1.763 0.04 . 2 . . . A 3553 MET HB2 . 11504 1 706 . 1 1 58 58 MET HB3 H 1 1.763 0.04 . 2 . . . A 3553 MET HB3 . 11504 1 707 . 1 1 58 58 MET HG2 H 1 2.537 0.04 . 2 . . . A 3553 MET HG2 . 11504 1 708 . 1 1 58 58 MET HG3 H 1 2.320 0.04 . 2 . . . A 3553 MET HG3 . 11504 1 709 . 1 1 58 58 MET HE1 H 1 1.735 0.04 . 1 . . . A 3553 MET HE1 . 11504 1 710 . 1 1 58 58 MET HE2 H 1 1.735 0.04 . 1 . . . A 3553 MET HE2 . 11504 1 711 . 1 1 58 58 MET HE3 H 1 1.735 0.04 . 1 . . . A 3553 MET HE3 . 11504 1 712 . 1 1 58 58 MET C C 13 174.524 0.40 . 1 . . . A 3553 MET C . 11504 1 713 . 1 1 58 58 MET CA C 13 53.197 0.40 . 1 . . . A 3553 MET CA . 11504 1 714 . 1 1 58 58 MET CB C 13 37.781 0.40 . 1 . . . A 3553 MET CB . 11504 1 715 . 1 1 58 58 MET CG C 13 31.080 0.40 . 1 . . . A 3553 MET CG . 11504 1 716 . 1 1 58 58 MET CE C 13 17.112 0.40 . 1 . . . A 3553 MET CE . 11504 1 717 . 1 1 58 58 MET N N 15 122.841 0.40 . 1 . . . A 3553 MET N . 11504 1 718 . 1 1 59 59 ARG H H 1 9.064 0.04 . 1 . . . A 3554 ARG H . 11504 1 719 . 1 1 59 59 ARG HA H 1 4.308 0.04 . 1 . . . A 3554 ARG HA . 11504 1 720 . 1 1 59 59 ARG HB2 H 1 1.776 0.04 . 1 . . . A 3554 ARG HB2 . 11504 1 721 . 1 1 59 59 ARG HB3 H 1 1.878 0.04 . 1 . . . A 3554 ARG HB3 . 11504 1 722 . 1 1 59 59 ARG HD2 H 1 3.215 0.04 . 2 . . . A 3554 ARG HD2 . 11504 1 723 . 1 1 59 59 ARG HD3 H 1 3.238 0.04 . 2 . . . A 3554 ARG HD3 . 11504 1 724 . 1 1 59 59 ARG HE H 1 7.608 0.04 . 1 . . . A 3554 ARG HE . 11504 1 725 . 1 1 59 59 ARG C C 13 177.040 0.40 . 1 . . . A 3554 ARG C . 11504 1 726 . 1 1 59 59 ARG CA C 13 57.224 0.40 . 1 . . . A 3554 ARG CA . 11504 1 727 . 1 1 59 59 ARG CB C 13 30.684 0.40 . 1 . . . A 3554 ARG CB . 11504 1 728 . 1 1 59 59 ARG CG C 13 27.869 0.40 . 1 . . . A 3554 ARG CG . 11504 1 729 . 1 1 59 59 ARG CD C 13 43.046 0.40 . 1 . . . A 3554 ARG CD . 11504 1 730 . 1 1 59 59 ARG N N 15 128.545 0.40 . 1 . . . A 3554 ARG N . 11504 1 731 . 1 1 59 59 ARG NE N 15 87.097 0.40 . 1 . . . A 3554 ARG NE . 11504 1 732 . 1 1 60 60 LEU H H 1 8.603 0.04 . 1 . . . A 3555 LEU H . 11504 1 733 . 1 1 60 60 LEU HA H 1 4.250 0.04 . 1 . . . A 3555 LEU HA . 11504 1 734 . 1 1 60 60 LEU HB2 H 1 1.372 0.04 . 1 . . . A 3555 LEU HB2 . 11504 1 735 . 1 1 60 60 LEU HB3 H 1 1.724 0.04 . 1 . . . A 3555 LEU HB3 . 11504 1 736 . 1 1 60 60 LEU HG H 1 1.468 0.04 . 1 . . . A 3555 LEU HG . 11504 1 737 . 1 1 60 60 LEU HD11 H 1 0.857 0.04 . 1 . . . A 3555 LEU HD11 . 11504 1 738 . 1 1 60 60 LEU HD12 H 1 0.857 0.04 . 1 . . . A 3555 LEU HD12 . 11504 1 739 . 1 1 60 60 LEU HD13 H 1 0.857 0.04 . 1 . . . A 3555 LEU HD13 . 11504 1 740 . 1 1 60 60 LEU HD21 H 1 0.839 0.04 . 1 . . . A 3555 LEU HD21 . 11504 1 741 . 1 1 60 60 LEU HD22 H 1 0.839 0.04 . 1 . . . A 3555 LEU HD22 . 11504 1 742 . 1 1 60 60 LEU HD23 H 1 0.839 0.04 . 1 . . . A 3555 LEU HD23 . 11504 1 743 . 1 1 60 60 LEU C C 13 175.786 0.40 . 1 . . . A 3555 LEU C . 11504 1 744 . 1 1 60 60 LEU CA C 13 53.351 0.40 . 1 . . . A 3555 LEU CA . 11504 1 745 . 1 1 60 60 LEU CB C 13 38.776 0.40 . 1 . . . A 3555 LEU CB . 11504 1 746 . 1 1 60 60 LEU CG C 13 25.858 0.40 . 1 . . . A 3555 LEU CG . 11504 1 747 . 1 1 60 60 LEU CD1 C 13 25.664 0.40 . 1 . . . A 3555 LEU CD1 . 11504 1 748 . 1 1 60 60 LEU CD2 C 13 24.177 0.40 . 1 . . . A 3555 LEU CD2 . 11504 1 749 . 1 1 60 60 LEU N N 15 125.380 0.40 . 1 . . . A 3555 LEU N . 11504 1 750 . 1 1 61 61 GLU H H 1 7.656 0.04 . 1 . . . A 3556 GLU H . 11504 1 751 . 1 1 61 61 GLU HA H 1 4.570 0.04 . 1 . . . A 3556 GLU HA . 11504 1 752 . 1 1 61 61 GLU HB2 H 1 1.990 0.04 . 1 . . . A 3556 GLU HB2 . 11504 1 753 . 1 1 61 61 GLU HB3 H 1 2.163 0.04 . 1 . . . A 3556 GLU HB3 . 11504 1 754 . 1 1 61 61 GLU HG2 H 1 2.288 0.04 . 2 . . . A 3556 GLU HG2 . 11504 1 755 . 1 1 61 61 GLU HG3 H 1 2.280 0.04 . 2 . . . A 3556 GLU HG3 . 11504 1 756 . 1 1 61 61 GLU C C 13 176.743 0.40 . 1 . . . A 3556 GLU C . 11504 1 757 . 1 1 61 61 GLU CA C 13 54.594 0.40 . 1 . . . A 3556 GLU CA . 11504 1 758 . 1 1 61 61 GLU CB C 13 32.025 0.40 . 1 . . . A 3556 GLU CB . 11504 1 759 . 1 1 61 61 GLU CG C 13 36.193 0.40 . 1 . . . A 3556 GLU CG . 11504 1 760 . 1 1 61 61 GLU N N 15 124.732 0.40 . 1 . . . A 3556 GLU N . 11504 1 761 . 1 1 62 62 ALA H H 1 8.863 0.04 . 1 . . . A 3557 ALA H . 11504 1 762 . 1 1 62 62 ALA HA H 1 3.992 0.04 . 1 . . . A 3557 ALA HA . 11504 1 763 . 1 1 62 62 ALA HB1 H 1 1.499 0.04 . 1 . . . A 3557 ALA HB1 . 11504 1 764 . 1 1 62 62 ALA HB2 H 1 1.499 0.04 . 1 . . . A 3557 ALA HB2 . 11504 1 765 . 1 1 62 62 ALA HB3 H 1 1.499 0.04 . 1 . . . A 3557 ALA HB3 . 11504 1 766 . 1 1 62 62 ALA C C 13 179.782 0.40 . 1 . . . A 3557 ALA C . 11504 1 767 . 1 1 62 62 ALA CA C 13 56.901 0.40 . 1 . . . A 3557 ALA CA . 11504 1 768 . 1 1 62 62 ALA CB C 13 18.649 0.40 . 1 . . . A 3557 ALA CB . 11504 1 769 . 1 1 62 62 ALA N N 15 128.140 0.40 . 1 . . . A 3557 ALA N . 11504 1 770 . 1 1 63 63 THR H H 1 8.610 0.04 . 1 . . . A 3558 THR H . 11504 1 771 . 1 1 63 63 THR HA H 1 4.019 0.04 . 1 . . . A 3558 THR HA . 11504 1 772 . 1 1 63 63 THR HB H 1 4.188 0.04 . 1 . . . A 3558 THR HB . 11504 1 773 . 1 1 63 63 THR HG21 H 1 1.274 0.04 . 1 . . . A 3558 THR HG21 . 11504 1 774 . 1 1 63 63 THR HG22 H 1 1.274 0.04 . 1 . . . A 3558 THR HG22 . 11504 1 775 . 1 1 63 63 THR HG23 H 1 1.274 0.04 . 1 . . . A 3558 THR HG23 . 11504 1 776 . 1 1 63 63 THR C C 13 177.455 0.40 . 1 . . . A 3558 THR C . 11504 1 777 . 1 1 63 63 THR CA C 13 65.915 0.40 . 1 . . . A 3558 THR CA . 11504 1 778 . 1 1 63 63 THR CB C 13 68.365 0.40 . 1 . . . A 3558 THR CB . 11504 1 779 . 1 1 63 63 THR CG2 C 13 22.138 0.40 . 1 . . . A 3558 THR CG2 . 11504 1 780 . 1 1 63 63 THR N N 15 112.945 0.40 . 1 . . . A 3558 THR N . 11504 1 781 . 1 1 64 64 GLN H H 1 7.713 0.04 . 1 . . . A 3559 GLN H . 11504 1 782 . 1 1 64 64 GLN HA H 1 4.228 0.04 . 1 . . . A 3559 GLN HA . 11504 1 783 . 1 1 64 64 GLN HB2 H 1 2.303 0.04 . 1 . . . A 3559 GLN HB2 . 11504 1 784 . 1 1 64 64 GLN HB3 H 1 2.421 0.04 . 1 . . . A 3559 GLN HB3 . 11504 1 785 . 1 1 64 64 GLN HG2 H 1 2.571 0.04 . 2 . . . A 3559 GLN HG2 . 11504 1 786 . 1 1 64 64 GLN HG3 H 1 2.572 0.04 . 2 . . . A 3559 GLN HG3 . 11504 1 787 . 1 1 64 64 GLN C C 13 179.373 0.40 . 1 . . . A 3559 GLN C . 11504 1 788 . 1 1 64 64 GLN CA C 13 58.424 0.40 . 1 . . . A 3559 GLN CA . 11504 1 789 . 1 1 64 64 GLN CB C 13 28.335 0.40 . 1 . . . A 3559 GLN CB . 11504 1 790 . 1 1 64 64 GLN CG C 13 34.199 0.40 . 1 . . . A 3559 GLN CG . 11504 1 791 . 1 1 64 64 GLN N N 15 123.545 0.40 . 1 . . . A 3559 GLN N . 11504 1 792 . 1 1 65 65 LEU H H 1 8.249 0.04 . 1 . . . A 3560 LEU H . 11504 1 793 . 1 1 65 65 LEU HA H 1 3.704 0.04 . 1 . . . A 3560 LEU HA . 11504 1 794 . 1 1 65 65 LEU HB2 H 1 1.686 0.04 . 1 . . . A 3560 LEU HB2 . 11504 1 795 . 1 1 65 65 LEU HB3 H 1 1.242 0.04 . 1 . . . A 3560 LEU HB3 . 11504 1 796 . 1 1 65 65 LEU HG H 1 1.527 0.04 . 1 . . . A 3560 LEU HG . 11504 1 797 . 1 1 65 65 LEU HD11 H 1 0.635 0.04 . 1 . . . A 3560 LEU HD11 . 11504 1 798 . 1 1 65 65 LEU HD12 H 1 0.635 0.04 . 1 . . . A 3560 LEU HD12 . 11504 1 799 . 1 1 65 65 LEU HD13 H 1 0.635 0.04 . 1 . . . A 3560 LEU HD13 . 11504 1 800 . 1 1 65 65 LEU HD21 H 1 0.148 0.04 . 1 . . . A 3560 LEU HD21 . 11504 1 801 . 1 1 65 65 LEU HD22 H 1 0.148 0.04 . 1 . . . A 3560 LEU HD22 . 11504 1 802 . 1 1 65 65 LEU HD23 H 1 0.148 0.04 . 1 . . . A 3560 LEU HD23 . 11504 1 803 . 1 1 65 65 LEU C C 13 178.858 0.40 . 1 . . . A 3560 LEU C . 11504 1 804 . 1 1 65 65 LEU CA C 13 57.473 0.40 . 1 . . . A 3560 LEU CA . 11504 1 805 . 1 1 65 65 LEU CB C 13 40.268 0.40 . 1 . . . A 3560 LEU CB . 11504 1 806 . 1 1 65 65 LEU CG C 13 26.422 0.40 . 1 . . . A 3560 LEU CG . 11504 1 807 . 1 1 65 65 LEU CD1 C 13 25.071 0.40 . 1 . . . A 3560 LEU CD1 . 11504 1 808 . 1 1 65 65 LEU CD2 C 13 21.548 0.40 . 1 . . . A 3560 LEU CD2 . 11504 1 809 . 1 1 65 65 LEU N N 15 121.283 0.40 . 1 . . . A 3560 LEU N . 11504 1 810 . 1 1 66 66 GLU H H 1 8.258 0.04 . 1 . . . A 3561 GLU H . 11504 1 811 . 1 1 66 66 GLU HA H 1 4.083 0.04 . 1 . . . A 3561 GLU HA . 11504 1 812 . 1 1 66 66 GLU HB2 H 1 2.014 0.04 . 2 . . . A 3561 GLU HB2 . 11504 1 813 . 1 1 66 66 GLU HB3 H 1 2.098 0.04 . 2 . . . A 3561 GLU HB3 . 11504 1 814 . 1 1 66 66 GLU HG2 H 1 2.403 0.04 . 2 . . . A 3561 GLU HG2 . 11504 1 815 . 1 1 66 66 GLU HG3 H 1 2.249 0.04 . 2 . . . A 3561 GLU HG3 . 11504 1 816 . 1 1 66 66 GLU C C 13 179.374 0.40 . 1 . . . A 3561 GLU C . 11504 1 817 . 1 1 66 66 GLU CA C 13 59.438 0.40 . 1 . . . A 3561 GLU CA . 11504 1 818 . 1 1 66 66 GLU CB C 13 29.098 0.40 . 1 . . . A 3561 GLU CB . 11504 1 819 . 1 1 66 66 GLU CG C 13 36.244 0.40 . 1 . . . A 3561 GLU CG . 11504 1 820 . 1 1 66 66 GLU N N 15 122.073 0.40 . 1 . . . A 3561 GLU N . 11504 1 821 . 1 1 67 67 GLY H H 1 7.556 0.04 . 1 . . . A 3562 GLY H . 11504 1 822 . 1 1 67 67 GLY HA2 H 1 3.817 0.04 . 2 . . . A 3562 GLY HA2 . 11504 1 823 . 1 1 67 67 GLY HA3 H 1 3.973 0.04 . 2 . . . A 3562 GLY HA3 . 11504 1 824 . 1 1 67 67 GLY C C 13 176.370 0.40 . 1 . . . A 3562 GLY C . 11504 1 825 . 1 1 67 67 GLY CA C 13 46.956 0.40 . 1 . . . A 3562 GLY CA . 11504 1 826 . 1 1 67 67 GLY N N 15 107.530 0.40 . 1 . . . A 3562 GLY N . 11504 1 827 . 1 1 68 68 VAL H H 1 7.500 0.04 . 1 . . . A 3563 VAL H . 11504 1 828 . 1 1 68 68 VAL HA H 1 3.708 0.04 . 1 . . . A 3563 VAL HA . 11504 1 829 . 1 1 68 68 VAL HB H 1 2.151 0.04 . 1 . . . A 3563 VAL HB . 11504 1 830 . 1 1 68 68 VAL HG11 H 1 0.966 0.04 . 1 . . . A 3563 VAL HG11 . 11504 1 831 . 1 1 68 68 VAL HG12 H 1 0.966 0.04 . 1 . . . A 3563 VAL HG12 . 11504 1 832 . 1 1 68 68 VAL HG13 H 1 0.966 0.04 . 1 . . . A 3563 VAL HG13 . 11504 1 833 . 1 1 68 68 VAL HG21 H 1 1.053 0.04 . 1 . . . A 3563 VAL HG21 . 11504 1 834 . 1 1 68 68 VAL HG22 H 1 1.053 0.04 . 1 . . . A 3563 VAL HG22 . 11504 1 835 . 1 1 68 68 VAL HG23 H 1 1.053 0.04 . 1 . . . A 3563 VAL HG23 . 11504 1 836 . 1 1 68 68 VAL C C 13 177.994 0.40 . 1 . . . A 3563 VAL C . 11504 1 837 . 1 1 68 68 VAL CA C 13 65.880 0.40 . 1 . . . A 3563 VAL CA . 11504 1 838 . 1 1 68 68 VAL CB C 13 31.389 0.40 . 1 . . . A 3563 VAL CB . 11504 1 839 . 1 1 68 68 VAL CG1 C 13 21.684 0.40 . 1 . . . A 3563 VAL CG1 . 11504 1 840 . 1 1 68 68 VAL CG2 C 13 22.266 0.40 . 1 . . . A 3563 VAL CG2 . 11504 1 841 . 1 1 68 68 VAL N N 15 124.701 0.40 . 1 . . . A 3563 VAL N . 11504 1 842 . 1 1 69 69 ALA H H 1 8.354 0.04 . 1 . . . A 3564 ALA H . 11504 1 843 . 1 1 69 69 ALA HA H 1 3.879 0.04 . 1 . . . A 3564 ALA HA . 11504 1 844 . 1 1 69 69 ALA HB1 H 1 1.578 0.04 . 1 . . . A 3564 ALA HB1 . 11504 1 845 . 1 1 69 69 ALA HB2 H 1 1.578 0.04 . 1 . . . A 3564 ALA HB2 . 11504 1 846 . 1 1 69 69 ALA HB3 H 1 1.578 0.04 . 1 . . . A 3564 ALA HB3 . 11504 1 847 . 1 1 69 69 ALA C C 13 180.915 0.40 . 1 . . . A 3564 ALA C . 11504 1 848 . 1 1 69 69 ALA CA C 13 55.089 0.40 . 1 . . . A 3564 ALA CA . 11504 1 849 . 1 1 69 69 ALA CB C 13 18.045 0.40 . 1 . . . A 3564 ALA CB . 11504 1 850 . 1 1 69 69 ALA N N 15 122.620 0.40 . 1 . . . A 3564 ALA N . 11504 1 851 . 1 1 70 70 ARG H H 1 8.104 0.04 . 1 . . . A 3565 ARG H . 11504 1 852 . 1 1 70 70 ARG HA H 1 4.036 0.04 . 1 . . . A 3565 ARG HA . 11504 1 853 . 1 1 70 70 ARG HB2 H 1 1.966 0.04 . 2 . . . A 3565 ARG HB2 . 11504 1 854 . 1 1 70 70 ARG HB3 H 1 1.899 0.04 . 2 . . . A 3565 ARG HB3 . 11504 1 855 . 1 1 70 70 ARG HG2 H 1 1.787 0.04 . 2 . . . A 3565 ARG HG2 . 11504 1 856 . 1 1 70 70 ARG HG3 H 1 1.667 0.04 . 2 . . . A 3565 ARG HG3 . 11504 1 857 . 1 1 70 70 ARG HD2 H 1 3.256 0.04 . 2 . . . A 3565 ARG HD2 . 11504 1 858 . 1 1 70 70 ARG HD3 H 1 3.213 0.04 . 2 . . . A 3565 ARG HD3 . 11504 1 859 . 1 1 70 70 ARG C C 13 179.704 0.40 . 1 . . . A 3565 ARG C . 11504 1 860 . 1 1 70 70 ARG CA C 13 59.042 0.40 . 1 . . . A 3565 ARG CA . 11504 1 861 . 1 1 70 70 ARG CB C 13 29.946 0.40 . 1 . . . A 3565 ARG CB . 11504 1 862 . 1 1 70 70 ARG CG C 13 27.724 0.40 . 1 . . . A 3565 ARG CG . 11504 1 863 . 1 1 70 70 ARG CD C 13 43.309 0.40 . 1 . . . A 3565 ARG CD . 11504 1 864 . 1 1 70 70 ARG N N 15 119.255 0.40 . 1 . . . A 3565 ARG N . 11504 1 865 . 1 1 71 71 ARG H H 1 7.518 0.04 . 1 . . . A 3566 ARG H . 11504 1 866 . 1 1 71 71 ARG HA H 1 4.267 0.04 . 1 . . . A 3566 ARG HA . 11504 1 867 . 1 1 71 71 ARG HB2 H 1 2.095 0.04 . 1 . . . A 3566 ARG HB2 . 11504 1 868 . 1 1 71 71 ARG HB3 H 1 1.987 0.04 . 1 . . . A 3566 ARG HB3 . 11504 1 869 . 1 1 71 71 ARG HG2 H 1 1.829 0.04 . 2 . . . A 3566 ARG HG2 . 11504 1 870 . 1 1 71 71 ARG HG3 H 1 1.783 0.04 . 2 . . . A 3566 ARG HG3 . 11504 1 871 . 1 1 71 71 ARG HD2 H 1 3.238 0.04 . 2 . . . A 3566 ARG HD2 . 11504 1 872 . 1 1 71 71 ARG HD3 H 1 3.360 0.04 . 2 . . . A 3566 ARG HD3 . 11504 1 873 . 1 1 71 71 ARG HE H 1 7.368 0.04 . 1 . . . A 3566 ARG HE . 11504 1 874 . 1 1 71 71 ARG C C 13 176.715 0.40 . 1 . . . A 3566 ARG C . 11504 1 875 . 1 1 71 71 ARG CA C 13 57.475 0.40 . 1 . . . A 3566 ARG CA . 11504 1 876 . 1 1 71 71 ARG CB C 13 29.073 0.40 . 1 . . . A 3566 ARG CB . 11504 1 877 . 1 1 71 71 ARG CG C 13 27.253 0.40 . 1 . . . A 3566 ARG CG . 11504 1 878 . 1 1 71 71 ARG CD C 13 42.642 0.40 . 1 . . . A 3566 ARG CD . 11504 1 879 . 1 1 71 71 ARG N N 15 122.030 0.40 . 1 . . . A 3566 ARG N . 11504 1 880 . 1 1 71 71 ARG NE N 15 86.326 0.40 . 1 . . . A 3566 ARG NE . 11504 1 881 . 1 1 72 72 MET H H 1 7.096 0.04 . 1 . . . A 3567 MET H . 11504 1 882 . 1 1 72 72 MET HA H 1 3.485 0.04 . 1 . . . A 3567 MET HA . 11504 1 883 . 1 1 72 72 MET HB2 H 1 2.071 0.04 . 2 . . . A 3567 MET HB2 . 11504 1 884 . 1 1 72 72 MET HB3 H 1 1.515 0.04 . 2 . . . A 3567 MET HB3 . 11504 1 885 . 1 1 72 72 MET HG2 H 1 2.211 0.04 . 2 . . . A 3567 MET HG2 . 11504 1 886 . 1 1 72 72 MET HG3 H 1 1.238 0.04 . 2 . . . A 3567 MET HG3 . 11504 1 887 . 1 1 72 72 MET HE1 H 1 1.121 0.04 . 1 . . . A 3567 MET HE1 . 11504 1 888 . 1 1 72 72 MET HE2 H 1 1.121 0.04 . 1 . . . A 3567 MET HE2 . 11504 1 889 . 1 1 72 72 MET HE3 H 1 1.121 0.04 . 1 . . . A 3567 MET HE3 . 11504 1 890 . 1 1 72 72 MET C C 13 175.424 0.40 . 1 . . . A 3567 MET C . 11504 1 891 . 1 1 72 72 MET CA C 13 55.830 0.40 . 1 . . . A 3567 MET CA . 11504 1 892 . 1 1 72 72 MET CB C 13 32.718 0.40 . 1 . . . A 3567 MET CB . 11504 1 893 . 1 1 72 72 MET CG C 13 30.849 0.40 . 1 . . . A 3567 MET CG . 11504 1 894 . 1 1 72 72 MET CE C 13 15.832 0.40 . 1 . . . A 3567 MET CE . 11504 1 895 . 1 1 72 72 MET N N 15 115.347 0.40 . 1 . . . A 3567 MET N . 11504 1 896 . 1 1 73 73 THR H H 1 7.331 0.04 . 1 . . . A 3568 THR H . 11504 1 897 . 1 1 73 73 THR HA H 1 4.248 0.04 . 1 . . . A 3568 THR HA . 11504 1 898 . 1 1 73 73 THR HB H 1 4.370 0.04 . 1 . . . A 3568 THR HB . 11504 1 899 . 1 1 73 73 THR HG21 H 1 1.315 0.04 . 1 . . . A 3568 THR HG21 . 11504 1 900 . 1 1 73 73 THR HG22 H 1 1.315 0.04 . 1 . . . A 3568 THR HG22 . 11504 1 901 . 1 1 73 73 THR HG23 H 1 1.315 0.04 . 1 . . . A 3568 THR HG23 . 11504 1 902 . 1 1 73 73 THR C C 13 174.362 0.40 . 1 . . . A 3568 THR C . 11504 1 903 . 1 1 73 73 THR CA C 13 63.424 0.40 . 1 . . . A 3568 THR CA . 11504 1 904 . 1 1 73 73 THR CB C 13 70.090 0.40 . 1 . . . A 3568 THR CB . 11504 1 905 . 1 1 73 73 THR CG2 C 13 21.773 0.40 . 1 . . . A 3568 THR CG2 . 11504 1 906 . 1 1 73 73 THR N N 15 111.236 0.40 . 1 . . . A 3568 THR N . 11504 1 907 . 1 1 74 74 VAL H H 1 7.599 0.04 . 1 . . . A 3569 VAL H . 11504 1 908 . 1 1 74 74 VAL HA H 1 4.414 0.04 . 1 . . . A 3569 VAL HA . 11504 1 909 . 1 1 74 74 VAL HB H 1 2.177 0.04 . 1 . . . A 3569 VAL HB . 11504 1 910 . 1 1 74 74 VAL HG11 H 1 1.019 0.04 . 1 . . . A 3569 VAL HG11 . 11504 1 911 . 1 1 74 74 VAL HG12 H 1 1.019 0.04 . 1 . . . A 3569 VAL HG12 . 11504 1 912 . 1 1 74 74 VAL HG13 H 1 1.019 0.04 . 1 . . . A 3569 VAL HG13 . 11504 1 913 . 1 1 74 74 VAL HG21 H 1 0.961 0.04 . 1 . . . A 3569 VAL HG21 . 11504 1 914 . 1 1 74 74 VAL HG22 H 1 0.961 0.04 . 1 . . . A 3569 VAL HG22 . 11504 1 915 . 1 1 74 74 VAL HG23 H 1 0.961 0.04 . 1 . . . A 3569 VAL HG23 . 11504 1 916 . 1 1 74 74 VAL C C 13 177.100 0.40 . 1 . . . A 3569 VAL C . 11504 1 917 . 1 1 74 74 VAL CA C 13 61.843 0.40 . 1 . . . A 3569 VAL CA . 11504 1 918 . 1 1 74 74 VAL CB C 13 33.314 0.40 . 1 . . . A 3569 VAL CB . 11504 1 919 . 1 1 74 74 VAL CG1 C 13 21.894 0.40 . 1 . . . A 3569 VAL CG1 . 11504 1 920 . 1 1 74 74 VAL CG2 C 13 20.770 0.40 . 1 . . . A 3569 VAL CG2 . 11504 1 921 . 1 1 74 74 VAL N N 15 124.385 0.40 . 1 . . . A 3569 VAL N . 11504 1 922 . 1 1 75 75 GLU H H 1 8.918 0.04 . 1 . . . A 3570 GLU H . 11504 1 923 . 1 1 75 75 GLU HA H 1 4.209 0.04 . 1 . . . A 3570 GLU HA . 11504 1 924 . 1 1 75 75 GLU HB2 H 1 2.160 0.04 . 2 . . . A 3570 GLU HB2 . 11504 1 925 . 1 1 75 75 GLU HB3 H 1 2.148 0.04 . 2 . . . A 3570 GLU HB3 . 11504 1 926 . 1 1 75 75 GLU HG2 H 1 2.441 0.04 . 2 . . . A 3570 GLU HG2 . 11504 1 927 . 1 1 75 75 GLU HG3 H 1 2.412 0.04 . 2 . . . A 3570 GLU HG3 . 11504 1 928 . 1 1 75 75 GLU C C 13 175.651 0.40 . 1 . . . A 3570 GLU C . 11504 1 929 . 1 1 75 75 GLU CA C 13 59.680 0.40 . 1 . . . A 3570 GLU CA . 11504 1 930 . 1 1 75 75 GLU CB C 13 30.353 0.40 . 1 . . . A 3570 GLU CB . 11504 1 931 . 1 1 75 75 GLU CG C 13 36.651 0.40 . 1 . . . A 3570 GLU CG . 11504 1 932 . 1 1 75 75 GLU N N 15 127.951 0.40 . 1 . . . A 3570 GLU N . 11504 1 933 . 1 1 76 76 THR H H 1 7.048 0.04 . 1 . . . A 3571 THR H . 11504 1 934 . 1 1 76 76 THR HA H 1 4.123 0.04 . 1 . . . A 3571 THR HA . 11504 1 935 . 1 1 76 76 THR HB H 1 4.369 0.04 . 1 . . . A 3571 THR HB . 11504 1 936 . 1 1 76 76 THR HG21 H 1 1.262 0.04 . 1 . . . A 3571 THR HG21 . 11504 1 937 . 1 1 76 76 THR HG22 H 1 1.262 0.04 . 1 . . . A 3571 THR HG22 . 11504 1 938 . 1 1 76 76 THR HG23 H 1 1.262 0.04 . 1 . . . A 3571 THR HG23 . 11504 1 939 . 1 1 76 76 THR C C 13 177.248 0.40 . 1 . . . A 3571 THR C . 11504 1 940 . 1 1 76 76 THR CA C 13 63.107 0.40 . 1 . . . A 3571 THR CA . 11504 1 941 . 1 1 76 76 THR CB C 13 69.940 0.40 . 1 . . . A 3571 THR CB . 11504 1 942 . 1 1 76 76 THR CG2 C 13 22.054 0.40 . 1 . . . A 3571 THR CG2 . 11504 1 943 . 1 1 76 76 THR N N 15 103.949 0.40 . 1 . . . A 3571 THR N . 11504 1 944 . 1 1 77 77 ASP H H 1 8.042 0.04 . 1 . . . A 3572 ASP H . 11504 1 945 . 1 1 77 77 ASP HA H 1 4.867 0.04 . 1 . . . A 3572 ASP HA . 11504 1 946 . 1 1 77 77 ASP HB2 H 1 2.969 0.04 . 1 . . . A 3572 ASP HB2 . 11504 1 947 . 1 1 77 77 ASP HB3 H 1 3.167 0.04 . 1 . . . A 3572 ASP HB3 . 11504 1 948 . 1 1 77 77 ASP C C 13 174.356 0.40 . 1 . . . A 3572 ASP C . 11504 1 949 . 1 1 77 77 ASP CA C 13 55.278 0.40 . 1 . . . A 3572 ASP CA . 11504 1 950 . 1 1 77 77 ASP CB C 13 41.861 0.40 . 1 . . . A 3572 ASP CB . 11504 1 951 . 1 1 77 77 ASP N N 15 122.254 0.40 . 1 . . . A 3572 ASP N . 11504 1 952 . 1 1 78 78 TYR H H 1 7.619 0.04 . 1 . . . A 3573 TYR H . 11504 1 953 . 1 1 78 78 TYR HA H 1 5.656 0.04 . 1 . . . A 3573 TYR HA . 11504 1 954 . 1 1 78 78 TYR HB2 H 1 2.778 0.04 . 1 . . . A 3573 TYR HB2 . 11504 1 955 . 1 1 78 78 TYR HB3 H 1 2.969 0.04 . 1 . . . A 3573 TYR HB3 . 11504 1 956 . 1 1 78 78 TYR HD1 H 1 6.997 0.04 . 3 . . . A 3573 TYR HD1 . 11504 1 957 . 1 1 78 78 TYR HE1 H 1 6.476 0.04 . 3 . . . A 3573 TYR HE1 . 11504 1 958 . 1 1 78 78 TYR C C 13 172.935 0.40 . 1 . . . A 3573 TYR C . 11504 1 959 . 1 1 78 78 TYR CA C 13 55.435 0.40 . 1 . . . A 3573 TYR CA . 11504 1 960 . 1 1 78 78 TYR CB C 13 41.589 0.40 . 1 . . . A 3573 TYR CB . 11504 1 961 . 1 1 78 78 TYR CD1 C 13 133.697 0.40 . 3 . . . A 3573 TYR CD1 . 11504 1 962 . 1 1 78 78 TYR CE1 C 13 118.228 0.40 . 3 . . . A 3573 TYR CE1 . 11504 1 963 . 1 1 78 78 TYR N N 15 118.009 0.40 . 1 . . . A 3573 TYR N . 11504 1 964 . 1 1 79 79 CYS H H 1 8.738 0.04 . 1 . . . A 3574 CYS H . 11504 1 965 . 1 1 79 79 CYS HA H 1 4.438 0.04 . 1 . . . A 3574 CYS HA . 11504 1 966 . 1 1 79 79 CYS HB2 H 1 2.532 0.04 . 2 . . . A 3574 CYS HB2 . 11504 1 967 . 1 1 79 79 CYS HB3 H 1 3.101 0.04 . 2 . . . A 3574 CYS HB3 . 11504 1 968 . 1 1 79 79 CYS C C 13 171.145 0.40 . 1 . . . A 3574 CYS C . 11504 1 969 . 1 1 79 79 CYS CA C 13 58.983 0.40 . 1 . . . A 3574 CYS CA . 11504 1 970 . 1 1 79 79 CYS CB C 13 29.408 0.40 . 1 . . . A 3574 CYS CB . 11504 1 971 . 1 1 79 79 CYS N N 15 120.515 0.40 . 1 . . . A 3574 CYS N . 11504 1 972 . 1 1 80 80 LEU H H 1 9.239 0.04 . 1 . . . A 3575 LEU H . 11504 1 973 . 1 1 80 80 LEU HA H 1 5.559 0.04 . 1 . . . A 3575 LEU HA . 11504 1 974 . 1 1 80 80 LEU HB2 H 1 1.423 0.04 . 2 . . . A 3575 LEU HB2 . 11504 1 975 . 1 1 80 80 LEU HB3 H 1 1.961 0.04 . 2 . . . A 3575 LEU HB3 . 11504 1 976 . 1 1 80 80 LEU HG H 1 1.438 0.04 . 1 . . . A 3575 LEU HG . 11504 1 977 . 1 1 80 80 LEU HD11 H 1 0.912 0.04 . 1 . . . A 3575 LEU HD11 . 11504 1 978 . 1 1 80 80 LEU HD12 H 1 0.912 0.04 . 1 . . . A 3575 LEU HD12 . 11504 1 979 . 1 1 80 80 LEU HD13 H 1 0.912 0.04 . 1 . . . A 3575 LEU HD13 . 11504 1 980 . 1 1 80 80 LEU HD21 H 1 0.696 0.04 . 1 . . . A 3575 LEU HD21 . 11504 1 981 . 1 1 80 80 LEU HD22 H 1 0.696 0.04 . 1 . . . A 3575 LEU HD22 . 11504 1 982 . 1 1 80 80 LEU HD23 H 1 0.696 0.04 . 1 . . . A 3575 LEU HD23 . 11504 1 983 . 1 1 80 80 LEU C C 13 174.409 0.40 . 1 . . . A 3575 LEU C . 11504 1 984 . 1 1 80 80 LEU CA C 13 54.519 0.40 . 1 . . . A 3575 LEU CA . 11504 1 985 . 1 1 80 80 LEU CB C 13 45.872 0.40 . 1 . . . A 3575 LEU CB . 11504 1 986 . 1 1 80 80 LEU CG C 13 28.355 0.40 . 1 . . . A 3575 LEU CG . 11504 1 987 . 1 1 80 80 LEU CD1 C 13 26.019 0.40 . 1 . . . A 3575 LEU CD1 . 11504 1 988 . 1 1 80 80 LEU CD2 C 13 25.324 0.40 . 1 . . . A 3575 LEU CD2 . 11504 1 989 . 1 1 80 80 LEU N N 15 135.097 0.40 . 1 . . . A 3575 LEU N . 11504 1 990 . 1 1 81 81 LEU H H 1 9.702 0.04 . 1 . . . A 3576 LEU H . 11504 1 991 . 1 1 81 81 LEU HA H 1 5.537 0.04 . 1 . . . A 3576 LEU HA . 11504 1 992 . 1 1 81 81 LEU HB2 H 1 1.578 0.04 . 1 . . . A 3576 LEU HB2 . 11504 1 993 . 1 1 81 81 LEU HB3 H 1 1.367 0.04 . 1 . . . A 3576 LEU HB3 . 11504 1 994 . 1 1 81 81 LEU HG H 1 1.674 0.04 . 1 . . . A 3576 LEU HG . 11504 1 995 . 1 1 81 81 LEU HD11 H 1 0.738 0.04 . 1 . . . A 3576 LEU HD11 . 11504 1 996 . 1 1 81 81 LEU HD12 H 1 0.738 0.04 . 1 . . . A 3576 LEU HD12 . 11504 1 997 . 1 1 81 81 LEU HD13 H 1 0.738 0.04 . 1 . . . A 3576 LEU HD13 . 11504 1 998 . 1 1 81 81 LEU HD21 H 1 0.876 0.04 . 1 . . . A 3576 LEU HD21 . 11504 1 999 . 1 1 81 81 LEU HD22 H 1 0.876 0.04 . 1 . . . A 3576 LEU HD22 . 11504 1 1000 . 1 1 81 81 LEU HD23 H 1 0.876 0.04 . 1 . . . A 3576 LEU HD23 . 11504 1 1001 . 1 1 81 81 LEU C C 13 174.468 0.40 . 1 . . . A 3576 LEU C . 11504 1 1002 . 1 1 81 81 LEU CA C 13 52.534 0.40 . 1 . . . A 3576 LEU CA . 11504 1 1003 . 1 1 81 81 LEU CB C 13 45.858 0.40 . 1 . . . A 3576 LEU CB . 11504 1 1004 . 1 1 81 81 LEU CG C 13 27.783 0.40 . 1 . . . A 3576 LEU CG . 11504 1 1005 . 1 1 81 81 LEU CD1 C 13 27.996 0.40 . 1 . . . A 3576 LEU CD1 . 11504 1 1006 . 1 1 81 81 LEU CD2 C 13 25.995 0.40 . 1 . . . A 3576 LEU CD2 . 11504 1 1007 . 1 1 81 81 LEU N N 15 126.789 0.40 . 1 . . . A 3576 LEU N . 11504 1 1008 . 1 1 82 82 LEU H H 1 9.064 0.04 . 1 . . . A 3577 LEU H . 11504 1 1009 . 1 1 82 82 LEU HA H 1 5.093 0.04 . 1 . . . A 3577 LEU HA . 11504 1 1010 . 1 1 82 82 LEU HB2 H 1 1.004 0.04 . 1 . . . A 3577 LEU HB2 . 11504 1 1011 . 1 1 82 82 LEU HB3 H 1 1.632 0.04 . 1 . . . A 3577 LEU HB3 . 11504 1 1012 . 1 1 82 82 LEU HG H 1 1.446 0.04 . 1 . . . A 3577 LEU HG . 11504 1 1013 . 1 1 82 82 LEU HD11 H 1 0.729 0.04 . 1 . . . A 3577 LEU HD11 . 11504 1 1014 . 1 1 82 82 LEU HD12 H 1 0.729 0.04 . 1 . . . A 3577 LEU HD12 . 11504 1 1015 . 1 1 82 82 LEU HD13 H 1 0.729 0.04 . 1 . . . A 3577 LEU HD13 . 11504 1 1016 . 1 1 82 82 LEU HD21 H 1 0.539 0.04 . 1 . . . A 3577 LEU HD21 . 11504 1 1017 . 1 1 82 82 LEU HD22 H 1 0.539 0.04 . 1 . . . A 3577 LEU HD22 . 11504 1 1018 . 1 1 82 82 LEU HD23 H 1 0.539 0.04 . 1 . . . A 3577 LEU HD23 . 11504 1 1019 . 1 1 82 82 LEU C C 13 175.012 0.40 . 1 . . . A 3577 LEU C . 11504 1 1020 . 1 1 82 82 LEU CA C 13 53.073 0.40 . 1 . . . A 3577 LEU CA . 11504 1 1021 . 1 1 82 82 LEU CB C 13 46.388 0.40 . 1 . . . A 3577 LEU CB . 11504 1 1022 . 1 1 82 82 LEU CG C 13 27.549 0.40 . 1 . . . A 3577 LEU CG . 11504 1 1023 . 1 1 82 82 LEU CD1 C 13 25.012 0.40 . 1 . . . A 3577 LEU CD1 . 11504 1 1024 . 1 1 82 82 LEU CD2 C 13 26.403 0.40 . 1 . . . A 3577 LEU CD2 . 11504 1 1025 . 1 1 82 82 LEU N N 15 125.292 0.40 . 1 . . . A 3577 LEU N . 11504 1 1026 . 1 1 83 83 ALA H H 1 9.429 0.04 . 1 . . . A 3578 ALA H . 11504 1 1027 . 1 1 83 83 ALA HA H 1 5.541 0.04 . 1 . . . A 3578 ALA HA . 11504 1 1028 . 1 1 83 83 ALA HB1 H 1 1.115 0.04 . 1 . . . A 3578 ALA HB1 . 11504 1 1029 . 1 1 83 83 ALA HB2 H 1 1.115 0.04 . 1 . . . A 3578 ALA HB2 . 11504 1 1030 . 1 1 83 83 ALA HB3 H 1 1.115 0.04 . 1 . . . A 3578 ALA HB3 . 11504 1 1031 . 1 1 83 83 ALA C C 13 175.452 0.40 . 1 . . . A 3578 ALA C . 11504 1 1032 . 1 1 83 83 ALA CA C 13 50.461 0.40 . 1 . . . A 3578 ALA CA . 11504 1 1033 . 1 1 83 83 ALA CB C 13 21.155 0.40 . 1 . . . A 3578 ALA CB . 11504 1 1034 . 1 1 83 83 ALA N N 15 131.105 0.40 . 1 . . . A 3578 ALA N . 11504 1 1035 . 1 1 84 84 LEU H H 1 8.743 0.04 . 1 . . . A 3579 LEU H . 11504 1 1036 . 1 1 84 84 LEU HA H 1 5.130 0.04 . 1 . . . A 3579 LEU HA . 11504 1 1037 . 1 1 84 84 LEU HB2 H 1 1.690 0.04 . 2 . . . A 3579 LEU HB2 . 11504 1 1038 . 1 1 84 84 LEU HD11 H 1 0.785 0.04 . 1 . . . A 3579 LEU HD11 . 11504 1 1039 . 1 1 84 84 LEU HD12 H 1 0.785 0.04 . 1 . . . A 3579 LEU HD12 . 11504 1 1040 . 1 1 84 84 LEU HD13 H 1 0.785 0.04 . 1 . . . A 3579 LEU HD13 . 11504 1 1041 . 1 1 84 84 LEU HD21 H 1 1.025 0.04 . 1 . . . A 3579 LEU HD21 . 11504 1 1042 . 1 1 84 84 LEU HD22 H 1 1.025 0.04 . 1 . . . A 3579 LEU HD22 . 11504 1 1043 . 1 1 84 84 LEU HD23 H 1 1.025 0.04 . 1 . . . A 3579 LEU HD23 . 11504 1 1044 . 1 1 84 84 LEU C C 13 173.735 0.40 . 1 . . . A 3579 LEU C . 11504 1 1045 . 1 1 84 84 LEU CA C 13 51.282 0.40 . 1 . . . A 3579 LEU CA . 11504 1 1046 . 1 1 84 84 LEU CB C 13 44.114 0.40 . 1 . . . A 3579 LEU CB . 11504 1 1047 . 1 1 84 84 LEU CD1 C 13 25.647 0.40 . 1 . . . A 3579 LEU CD1 . 11504 1 1048 . 1 1 84 84 LEU CD2 C 13 23.646 0.40 . 1 . . . A 3579 LEU CD2 . 11504 1 1049 . 1 1 84 84 LEU N N 15 123.729 0.40 . 1 . . . A 3579 LEU N . 11504 1 1050 . 1 1 85 85 PRO HA H 1 4.902 0.04 . 1 . . . A 3580 PRO HA . 11504 1 1051 . 1 1 85 85 PRO HB2 H 1 1.772 0.04 . 2 . . . A 3580 PRO HB2 . 11504 1 1052 . 1 1 85 85 PRO HB3 H 1 2.144 0.04 . 2 . . . A 3580 PRO HB3 . 11504 1 1053 . 1 1 85 85 PRO HG2 H 1 1.938 0.04 . 2 . . . A 3580 PRO HG2 . 11504 1 1054 . 1 1 85 85 PRO HG3 H 1 2.204 0.04 . 2 . . . A 3580 PRO HG3 . 11504 1 1055 . 1 1 85 85 PRO HD2 H 1 3.737 0.04 . 2 . . . A 3580 PRO HD2 . 11504 1 1056 . 1 1 85 85 PRO HD3 H 1 3.706 0.04 . 2 . . . A 3580 PRO HD3 . 11504 1 1057 . 1 1 85 85 PRO C C 13 175.032 0.40 . 1 . . . A 3580 PRO C . 11504 1 1058 . 1 1 85 85 PRO CA C 13 62.716 0.40 . 1 . . . A 3580 PRO CA . 11504 1 1059 . 1 1 85 85 PRO CB C 13 33.013 0.40 . 1 . . . A 3580 PRO CB . 11504 1 1060 . 1 1 85 85 PRO CG C 13 28.639 0.40 . 1 . . . A 3580 PRO CG . 11504 1 1061 . 1 1 85 85 PRO CD C 13 49.843 0.40 . 1 . . . A 3580 PRO CD . 11504 1 1062 . 1 1 86 86 CYS H H 1 7.916 0.04 . 1 . . . A 3581 CYS H . 11504 1 1063 . 1 1 86 86 CYS HA H 1 4.706 0.04 . 1 . . . A 3581 CYS HA . 11504 1 1064 . 1 1 86 86 CYS HB2 H 1 2.822 0.04 . 1 . . . A 3581 CYS HB2 . 11504 1 1065 . 1 1 86 86 CYS HB3 H 1 2.430 0.04 . 1 . . . A 3581 CYS HB3 . 11504 1 1066 . 1 1 86 86 CYS C C 13 171.041 0.40 . 1 . . . A 3581 CYS C . 11504 1 1067 . 1 1 86 86 CYS CA C 13 55.960 0.40 . 1 . . . A 3581 CYS CA . 11504 1 1068 . 1 1 86 86 CYS CB C 13 30.252 0.40 . 1 . . . A 3581 CYS CB . 11504 1 1069 . 1 1 86 86 CYS N N 15 120.670 0.40 . 1 . . . A 3581 CYS N . 11504 1 1070 . 1 1 87 87 GLY H H 1 7.805 0.04 . 1 . . . A 3582 GLY H . 11504 1 1071 . 1 1 87 87 GLY HA2 H 1 3.491 0.04 . 2 . . . A 3582 GLY HA2 . 11504 1 1072 . 1 1 87 87 GLY HA3 H 1 4.304 0.04 . 2 . . . A 3582 GLY HA3 . 11504 1 1073 . 1 1 87 87 GLY C C 13 173.561 0.40 . 1 . . . A 3582 GLY C . 11504 1 1074 . 1 1 87 87 GLY CA C 13 44.944 0.40 . 1 . . . A 3582 GLY CA . 11504 1 1075 . 1 1 87 87 GLY N N 15 105.937 0.40 . 1 . . . A 3582 GLY N . 11504 1 1076 . 1 1 88 88 ARG H H 1 10.235 0.04 . 1 . . . A 3583 ARG H . 11504 1 1077 . 1 1 88 88 ARG HA H 1 4.131 0.04 . 1 . . . A 3583 ARG HA . 11504 1 1078 . 1 1 88 88 ARG HB2 H 1 1.765 0.04 . 2 . . . A 3583 ARG HB2 . 11504 1 1079 . 1 1 88 88 ARG HB3 H 1 1.798 0.04 . 2 . . . A 3583 ARG HB3 . 11504 1 1080 . 1 1 88 88 ARG HG2 H 1 1.568 0.04 . 2 . . . A 3583 ARG HG2 . 11504 1 1081 . 1 1 88 88 ARG HG3 H 1 1.547 0.04 . 2 . . . A 3583 ARG HG3 . 11504 1 1082 . 1 1 88 88 ARG HD2 H 1 3.133 0.04 . 2 . . . A 3583 ARG HD2 . 11504 1 1083 . 1 1 88 88 ARG HD3 H 1 3.165 0.04 . 2 . . . A 3583 ARG HD3 . 11504 1 1084 . 1 1 88 88 ARG HE H 1 7.112 0.04 . 1 . . . A 3583 ARG HE . 11504 1 1085 . 1 1 88 88 ARG C C 13 175.463 0.40 . 1 . . . A 3583 ARG C . 11504 1 1086 . 1 1 88 88 ARG CA C 13 57.735 0.40 . 1 . . . A 3583 ARG CA . 11504 1 1087 . 1 1 88 88 ARG CB C 13 31.038 0.40 . 1 . . . A 3583 ARG CB . 11504 1 1088 . 1 1 88 88 ARG CG C 13 27.138 0.40 . 1 . . . A 3583 ARG CG . 11504 1 1089 . 1 1 88 88 ARG CD C 13 43.181 0.40 . 1 . . . A 3583 ARG CD . 11504 1 1090 . 1 1 88 88 ARG N N 15 123.019 0.40 . 1 . . . A 3583 ARG N . 11504 1 1091 . 1 1 88 88 ARG NE N 15 86.379 0.40 . 1 . . . A 3583 ARG NE . 11504 1 1092 . 1 1 89 89 ASP H H 1 7.771 0.04 . 1 . . . A 3584 ASP H . 11504 1 1093 . 1 1 89 89 ASP HA H 1 4.483 0.04 . 1 . . . A 3584 ASP HA . 11504 1 1094 . 1 1 89 89 ASP HB2 H 1 3.014 0.04 . 2 . . . A 3584 ASP HB2 . 11504 1 1095 . 1 1 89 89 ASP HB3 H 1 2.963 0.04 . 2 . . . A 3584 ASP HB3 . 11504 1 1096 . 1 1 89 89 ASP C C 13 175.622 0.40 . 1 . . . A 3584 ASP C . 11504 1 1097 . 1 1 89 89 ASP CA C 13 52.446 0.40 . 1 . . . A 3584 ASP CA . 11504 1 1098 . 1 1 89 89 ASP CB C 13 41.158 0.40 . 1 . . . A 3584 ASP CB . 11504 1 1099 . 1 1 89 89 ASP N N 15 117.290 0.40 . 1 . . . A 3584 ASP N . 11504 1 1100 . 1 1 90 90 GLN H H 1 8.690 0.04 . 1 . . . A 3585 GLN H . 11504 1 1101 . 1 1 90 90 GLN HA H 1 3.985 0.04 . 1 . . . A 3585 GLN HA . 11504 1 1102 . 1 1 90 90 GLN HB2 H 1 2.104 0.04 . 2 . . . A 3585 GLN HB2 . 11504 1 1103 . 1 1 90 90 GLN HB3 H 1 2.085 0.04 . 2 . . . A 3585 GLN HB3 . 11504 1 1104 . 1 1 90 90 GLN HG2 H 1 2.428 0.04 . 2 . . . A 3585 GLN HG2 . 11504 1 1105 . 1 1 90 90 GLN HG3 H 1 2.408 0.04 . 2 . . . A 3585 GLN HG3 . 11504 1 1106 . 1 1 90 90 GLN C C 13 177.640 0.40 . 1 . . . A 3585 GLN C . 11504 1 1107 . 1 1 90 90 GLN CA C 13 59.595 0.40 . 1 . . . A 3585 GLN CA . 11504 1 1108 . 1 1 90 90 GLN CB C 13 28.382 0.40 . 1 . . . A 3585 GLN CB . 11504 1 1109 . 1 1 90 90 GLN CG C 13 34.113 0.40 . 1 . . . A 3585 GLN CG . 11504 1 1110 . 1 1 90 90 GLN N N 15 120.181 0.40 . 1 . . . A 3585 GLN N . 11504 1 1111 . 1 1 91 91 GLU H H 1 8.261 0.04 . 1 . . . A 3586 GLU H . 11504 1 1112 . 1 1 91 91 GLU HA H 1 4.062 0.04 . 1 . . . A 3586 GLU HA . 11504 1 1113 . 1 1 91 91 GLU HB2 H 1 2.051 0.04 . 2 . . . A 3586 GLU HB2 . 11504 1 1114 . 1 1 91 91 GLU HB3 H 1 2.032 0.04 . 2 . . . A 3586 GLU HB3 . 11504 1 1115 . 1 1 91 91 GLU HG2 H 1 2.314 0.04 . 2 . . . A 3586 GLU HG2 . 11504 1 1116 . 1 1 91 91 GLU HG3 H 1 2.293 0.04 . 2 . . . A 3586 GLU HG3 . 11504 1 1117 . 1 1 91 91 GLU C C 13 179.090 0.40 . 1 . . . A 3586 GLU C . 11504 1 1118 . 1 1 91 91 GLU CA C 13 59.651 0.40 . 1 . . . A 3586 GLU CA . 11504 1 1119 . 1 1 91 91 GLU CB C 13 29.076 0.40 . 1 . . . A 3586 GLU CB . 11504 1 1120 . 1 1 91 91 GLU CG C 13 36.974 0.40 . 1 . . . A 3586 GLU CG . 11504 1 1121 . 1 1 91 91 GLU N N 15 121.232 0.40 . 1 . . . A 3586 GLU N . 11504 1 1122 . 1 1 92 92 ASP H H 1 8.611 0.04 . 1 . . . A 3587 ASP H . 11504 1 1123 . 1 1 92 92 ASP HA H 1 4.679 0.04 . 1 . . . A 3587 ASP HA . 11504 1 1124 . 1 1 92 92 ASP HB2 H 1 2.986 0.04 . 2 . . . A 3587 ASP HB2 . 11504 1 1125 . 1 1 92 92 ASP HB3 H 1 2.635 0.04 . 2 . . . A 3587 ASP HB3 . 11504 1 1126 . 1 1 92 92 ASP C C 13 178.415 0.40 . 1 . . . A 3587 ASP C . 11504 1 1127 . 1 1 92 92 ASP CA C 13 56.740 0.40 . 1 . . . A 3587 ASP CA . 11504 1 1128 . 1 1 92 92 ASP CB C 13 42.257 0.40 . 1 . . . A 3587 ASP CB . 11504 1 1129 . 1 1 92 92 ASP N N 15 123.038 0.40 . 1 . . . A 3587 ASP N . 11504 1 1130 . 1 1 93 93 VAL H H 1 8.543 0.04 . 1 . . . A 3588 VAL H . 11504 1 1131 . 1 1 93 93 VAL HA H 1 3.369 0.04 . 1 . . . A 3588 VAL HA . 11504 1 1132 . 1 1 93 93 VAL HB H 1 2.125 0.04 . 1 . . . A 3588 VAL HB . 11504 1 1133 . 1 1 93 93 VAL HG11 H 1 0.819 0.04 . 1 . . . A 3588 VAL HG11 . 11504 1 1134 . 1 1 93 93 VAL HG12 H 1 0.819 0.04 . 1 . . . A 3588 VAL HG12 . 11504 1 1135 . 1 1 93 93 VAL HG13 H 1 0.819 0.04 . 1 . . . A 3588 VAL HG13 . 11504 1 1136 . 1 1 93 93 VAL HG21 H 1 0.831 0.04 . 1 . . . A 3588 VAL HG21 . 11504 1 1137 . 1 1 93 93 VAL HG22 H 1 0.831 0.04 . 1 . . . A 3588 VAL HG22 . 11504 1 1138 . 1 1 93 93 VAL HG23 H 1 0.831 0.04 . 1 . . . A 3588 VAL HG23 . 11504 1 1139 . 1 1 93 93 VAL C C 13 179.675 0.40 . 1 . . . A 3588 VAL C . 11504 1 1140 . 1 1 93 93 VAL CA C 13 67.179 0.40 . 1 . . . A 3588 VAL CA . 11504 1 1141 . 1 1 93 93 VAL CB C 13 31.161 0.40 . 1 . . . A 3588 VAL CB . 11504 1 1142 . 1 1 93 93 VAL CG1 C 13 21.070 0.40 . 1 . . . A 3588 VAL CG1 . 11504 1 1143 . 1 1 93 93 VAL CG2 C 13 22.799 0.40 . 1 . . . A 3588 VAL CG2 . 11504 1 1144 . 1 1 93 93 VAL N N 15 120.184 0.40 . 1 . . . A 3588 VAL N . 11504 1 1145 . 1 1 94 94 VAL H H 1 7.853 0.04 . 1 . . . A 3589 VAL H . 11504 1 1146 . 1 1 94 94 VAL HA H 1 3.655 0.04 . 1 . . . A 3589 VAL HA . 11504 1 1147 . 1 1 94 94 VAL HB H 1 2.305 0.04 . 1 . . . A 3589 VAL HB . 11504 1 1148 . 1 1 94 94 VAL HG11 H 1 1.000 0.04 . 1 . . . A 3589 VAL HG11 . 11504 1 1149 . 1 1 94 94 VAL HG12 H 1 1.000 0.04 . 1 . . . A 3589 VAL HG12 . 11504 1 1150 . 1 1 94 94 VAL HG13 H 1 1.000 0.04 . 1 . . . A 3589 VAL HG13 . 11504 1 1151 . 1 1 94 94 VAL HG21 H 1 1.123 0.04 . 1 . . . A 3589 VAL HG21 . 11504 1 1152 . 1 1 94 94 VAL HG22 H 1 1.123 0.04 . 1 . . . A 3589 VAL HG22 . 11504 1 1153 . 1 1 94 94 VAL HG23 H 1 1.123 0.04 . 1 . . . A 3589 VAL HG23 . 11504 1 1154 . 1 1 94 94 VAL C C 13 178.343 0.40 . 1 . . . A 3589 VAL C . 11504 1 1155 . 1 1 94 94 VAL CA C 13 67.405 0.40 . 1 . . . A 3589 VAL CA . 11504 1 1156 . 1 1 94 94 VAL CB C 13 31.457 0.40 . 1 . . . A 3589 VAL CB . 11504 1 1157 . 1 1 94 94 VAL CG1 C 13 21.169 0.40 . 1 . . . A 3589 VAL CG1 . 11504 1 1158 . 1 1 94 94 VAL CG2 C 13 22.637 0.40 . 1 . . . A 3589 VAL CG2 . 11504 1 1159 . 1 1 94 94 VAL N N 15 125.520 0.40 . 1 . . . A 3589 VAL N . 11504 1 1160 . 1 1 95 95 SER H H 1 7.886 0.04 . 1 . . . A 3590 SER H . 11504 1 1161 . 1 1 95 95 SER HA H 1 4.382 0.04 . 1 . . . A 3590 SER HA . 11504 1 1162 . 1 1 95 95 SER HB2 H 1 4.323 0.04 . 2 . . . A 3590 SER HB2 . 11504 1 1163 . 1 1 95 95 SER HB3 H 1 4.306 0.04 . 2 . . . A 3590 SER HB3 . 11504 1 1164 . 1 1 95 95 SER C C 13 177.934 0.40 . 1 . . . A 3590 SER C . 11504 1 1165 . 1 1 95 95 SER CA C 13 62.051 0.40 . 1 . . . A 3590 SER CA . 11504 1 1166 . 1 1 95 95 SER CB C 13 62.984 0.40 . 1 . . . A 3590 SER CB . 11504 1 1167 . 1 1 95 95 SER N N 15 118.343 0.40 . 1 . . . A 3590 SER N . 11504 1 1168 . 1 1 96 96 GLN H H 1 9.036 0.04 . 1 . . . A 3591 GLN H . 11504 1 1169 . 1 1 96 96 GLN HA H 1 4.319 0.04 . 1 . . . A 3591 GLN HA . 11504 1 1170 . 1 1 96 96 GLN HB2 H 1 2.584 0.04 . 2 . . . A 3591 GLN HB2 . 11504 1 1171 . 1 1 96 96 GLN HB3 H 1 2.032 0.04 . 2 . . . A 3591 GLN HB3 . 11504 1 1172 . 1 1 96 96 GLN HG2 H 1 3.034 0.04 . 2 . . . A 3591 GLN HG2 . 11504 1 1173 . 1 1 96 96 GLN HG3 H 1 3.008 0.04 . 2 . . . A 3591 GLN HG3 . 11504 1 1174 . 1 1 96 96 GLN C C 13 179.409 0.40 . 1 . . . A 3591 GLN C . 11504 1 1175 . 1 1 96 96 GLN CA C 13 57.826 0.40 . 1 . . . A 3591 GLN CA . 11504 1 1176 . 1 1 96 96 GLN CB C 13 27.327 0.40 . 1 . . . A 3591 GLN CB . 11504 1 1177 . 1 1 96 96 GLN CG C 13 32.184 0.40 . 1 . . . A 3591 GLN CG . 11504 1 1178 . 1 1 96 96 GLN N N 15 122.278 0.40 . 1 . . . A 3591 GLN N . 11504 1 1179 . 1 1 97 97 THR H H 1 8.459 0.04 . 1 . . . A 3592 THR H . 11504 1 1180 . 1 1 97 97 THR HA H 1 3.703 0.04 . 1 . . . A 3592 THR HA . 11504 1 1181 . 1 1 97 97 THR HB H 1 3.691 0.04 . 1 . . . A 3592 THR HB . 11504 1 1182 . 1 1 97 97 THR HG21 H 1 1.262 0.04 . 1 . . . A 3592 THR HG21 . 11504 1 1183 . 1 1 97 97 THR HG22 H 1 1.262 0.04 . 1 . . . A 3592 THR HG22 . 11504 1 1184 . 1 1 97 97 THR HG23 H 1 1.262 0.04 . 1 . . . A 3592 THR HG23 . 11504 1 1185 . 1 1 97 97 THR C C 13 175.604 0.40 . 1 . . . A 3592 THR C . 11504 1 1186 . 1 1 97 97 THR CA C 13 67.516 0.40 . 1 . . . A 3592 THR CA . 11504 1 1187 . 1 1 97 97 THR CB C 13 68.285 0.40 . 1 . . . A 3592 THR CB . 11504 1 1188 . 1 1 97 97 THR CG2 C 13 21.130 0.40 . 1 . . . A 3592 THR CG2 . 11504 1 1189 . 1 1 97 97 THR N N 15 120.260 0.40 . 1 . . . A 3592 THR N . 11504 1 1190 . 1 1 98 98 GLU H H 1 8.226 0.04 . 1 . . . A 3593 GLU H . 11504 1 1191 . 1 1 98 98 GLU HA H 1 4.142 0.04 . 1 . . . A 3593 GLU HA . 11504 1 1192 . 1 1 98 98 GLU HB2 H 1 2.180 0.04 . 2 . . . A 3593 GLU HB2 . 11504 1 1193 . 1 1 98 98 GLU HB3 H 1 2.170 0.04 . 2 . . . A 3593 GLU HB3 . 11504 1 1194 . 1 1 98 98 GLU HG2 H 1 2.448 0.04 . 2 . . . A 3593 GLU HG2 . 11504 1 1195 . 1 1 98 98 GLU HG3 H 1 2.430 0.04 . 2 . . . A 3593 GLU HG3 . 11504 1 1196 . 1 1 98 98 GLU C C 13 179.092 0.40 . 1 . . . A 3593 GLU C . 11504 1 1197 . 1 1 98 98 GLU CA C 13 59.225 0.40 . 1 . . . A 3593 GLU CA . 11504 1 1198 . 1 1 98 98 GLU CB C 13 28.716 0.40 . 1 . . . A 3593 GLU CB . 11504 1 1199 . 1 1 98 98 GLU CG C 13 35.748 0.40 . 1 . . . A 3593 GLU CG . 11504 1 1200 . 1 1 98 98 GLU N N 15 122.841 0.40 . 1 . . . A 3593 GLU N . 11504 1 1201 . 1 1 99 99 SER H H 1 8.156 0.04 . 1 . . . A 3594 SER H . 11504 1 1202 . 1 1 99 99 SER HA H 1 4.476 0.04 . 1 . . . A 3594 SER HA . 11504 1 1203 . 1 1 99 99 SER HB2 H 1 4.467 0.04 . 2 . . . A 3594 SER HB2 . 11504 1 1204 . 1 1 99 99 SER HB3 H 1 4.178 0.04 . 2 . . . A 3594 SER HB3 . 11504 1 1205 . 1 1 99 99 SER C C 13 177.135 0.40 . 1 . . . A 3594 SER C . 11504 1 1206 . 1 1 99 99 SER CA C 13 61.537 0.40 . 1 . . . A 3594 SER CA . 11504 1 1207 . 1 1 99 99 SER CB C 13 63.523 0.40 . 1 . . . A 3594 SER CB . 11504 1 1208 . 1 1 99 99 SER N N 15 116.749 0.40 . 1 . . . A 3594 SER N . 11504 1 1209 . 1 1 100 100 LEU H H 1 8.353 0.04 . 1 . . . A 3595 LEU H . 11504 1 1210 . 1 1 100 100 LEU HA H 1 3.991 0.04 . 1 . . . A 3595 LEU HA . 11504 1 1211 . 1 1 100 100 LEU HB2 H 1 1.887 0.04 . 2 . . . A 3595 LEU HB2 . 11504 1 1212 . 1 1 100 100 LEU HB3 H 1 1.635 0.04 . 2 . . . A 3595 LEU HB3 . 11504 1 1213 . 1 1 100 100 LEU HG H 1 1.427 0.04 . 1 . . . A 3595 LEU HG . 11504 1 1214 . 1 1 100 100 LEU HD11 H 1 0.319 0.04 . 1 . . . A 3595 LEU HD11 . 11504 1 1215 . 1 1 100 100 LEU HD12 H 1 0.319 0.04 . 1 . . . A 3595 LEU HD12 . 11504 1 1216 . 1 1 100 100 LEU HD13 H 1 0.319 0.04 . 1 . . . A 3595 LEU HD13 . 11504 1 1217 . 1 1 100 100 LEU HD21 H 1 0.556 0.04 . 1 . . . A 3595 LEU HD21 . 11504 1 1218 . 1 1 100 100 LEU HD22 H 1 0.556 0.04 . 1 . . . A 3595 LEU HD22 . 11504 1 1219 . 1 1 100 100 LEU HD23 H 1 0.556 0.04 . 1 . . . A 3595 LEU HD23 . 11504 1 1220 . 1 1 100 100 LEU C C 13 179.697 0.40 . 1 . . . A 3595 LEU C . 11504 1 1221 . 1 1 100 100 LEU CA C 13 58.334 0.40 . 1 . . . A 3595 LEU CA . 11504 1 1222 . 1 1 100 100 LEU CB C 13 41.798 0.40 . 1 . . . A 3595 LEU CB . 11504 1 1223 . 1 1 100 100 LEU CG C 13 27.003 0.40 . 1 . . . A 3595 LEU CG . 11504 1 1224 . 1 1 100 100 LEU CD1 C 13 22.936 0.40 . 1 . . . A 3595 LEU CD1 . 11504 1 1225 . 1 1 100 100 LEU CD2 C 13 25.553 0.40 . 1 . . . A 3595 LEU CD2 . 11504 1 1226 . 1 1 100 100 LEU N N 15 122.688 0.40 . 1 . . . A 3595 LEU N . 11504 1 1227 . 1 1 101 101 LYS H H 1 8.301 0.04 . 1 . . . A 3596 LYS H . 11504 1 1228 . 1 1 101 101 LYS HA H 1 4.032 0.04 . 1 . . . A 3596 LYS HA . 11504 1 1229 . 1 1 101 101 LYS HB2 H 1 2.055 0.04 . 2 . . . A 3596 LYS HB2 . 11504 1 1230 . 1 1 101 101 LYS HB3 H 1 1.804 0.04 . 2 . . . A 3596 LYS HB3 . 11504 1 1231 . 1 1 101 101 LYS HG2 H 1 1.626 0.04 . 2 . . . A 3596 LYS HG2 . 11504 1 1232 . 1 1 101 101 LYS HG3 H 1 1.452 0.04 . 2 . . . A 3596 LYS HG3 . 11504 1 1233 . 1 1 101 101 LYS HD2 H 1 1.767 0.04 . 2 . . . A 3596 LYS HD2 . 11504 1 1234 . 1 1 101 101 LYS HD3 H 1 1.655 0.04 . 2 . . . A 3596 LYS HD3 . 11504 1 1235 . 1 1 101 101 LYS HE2 H 1 2.953 0.04 . 2 . . . A 3596 LYS HE2 . 11504 1 1236 . 1 1 101 101 LYS HE3 H 1 2.933 0.04 . 2 . . . A 3596 LYS HE3 . 11504 1 1237 . 1 1 101 101 LYS C C 13 177.891 0.40 . 1 . . . A 3596 LYS C . 11504 1 1238 . 1 1 101 101 LYS CA C 13 60.306 0.40 . 1 . . . A 3596 LYS CA . 11504 1 1239 . 1 1 101 101 LYS CB C 13 33.382 0.40 . 1 . . . A 3596 LYS CB . 11504 1 1240 . 1 1 101 101 LYS CG C 13 25.006 0.40 . 1 . . . A 3596 LYS CG . 11504 1 1241 . 1 1 101 101 LYS CD C 13 29.576 0.40 . 1 . . . A 3596 LYS CD . 11504 1 1242 . 1 1 101 101 LYS CE C 13 41.703 0.40 . 1 . . . A 3596 LYS CE . 11504 1 1243 . 1 1 101 101 LYS N N 15 118.913 0.40 . 1 . . . A 3596 LYS N . 11504 1 1244 . 1 1 102 102 ALA H H 1 8.918 0.04 . 1 . . . A 3597 ALA H . 11504 1 1245 . 1 1 102 102 ALA HA H 1 4.198 0.04 . 1 . . . A 3597 ALA HA . 11504 1 1246 . 1 1 102 102 ALA HB1 H 1 1.548 0.04 . 1 . . . A 3597 ALA HB1 . 11504 1 1247 . 1 1 102 102 ALA HB2 H 1 1.548 0.04 . 1 . . . A 3597 ALA HB2 . 11504 1 1248 . 1 1 102 102 ALA HB3 H 1 1.548 0.04 . 1 . . . A 3597 ALA HB3 . 11504 1 1249 . 1 1 102 102 ALA C C 13 178.586 0.40 . 1 . . . A 3597 ALA C . 11504 1 1250 . 1 1 102 102 ALA CA C 13 55.317 0.40 . 1 . . . A 3597 ALA CA . 11504 1 1251 . 1 1 102 102 ALA CB C 13 19.504 0.40 . 1 . . . A 3597 ALA CB . 11504 1 1252 . 1 1 102 102 ALA N N 15 123.454 0.40 . 1 . . . A 3597 ALA N . 11504 1 1253 . 1 1 103 103 ALA H H 1 8.647 0.04 . 1 . . . A 3598 ALA H . 11504 1 1254 . 1 1 103 103 ALA HA H 1 4.440 0.04 . 1 . . . A 3598 ALA HA . 11504 1 1255 . 1 1 103 103 ALA HB1 H 1 1.351 0.04 . 1 . . . A 3598 ALA HB1 . 11504 1 1256 . 1 1 103 103 ALA HB2 H 1 1.351 0.04 . 1 . . . A 3598 ALA HB2 . 11504 1 1257 . 1 1 103 103 ALA HB3 H 1 1.351 0.04 . 1 . . . A 3598 ALA HB3 . 11504 1 1258 . 1 1 103 103 ALA C C 13 176.565 0.40 . 1 . . . A 3598 ALA C . 11504 1 1259 . 1 1 103 103 ALA CA C 13 52.781 0.40 . 1 . . . A 3598 ALA CA . 11504 1 1260 . 1 1 103 103 ALA CB C 13 19.431 0.40 . 1 . . . A 3598 ALA CB . 11504 1 1261 . 1 1 103 103 ALA N N 15 119.002 0.40 . 1 . . . A 3598 ALA N . 11504 1 1262 . 1 1 104 104 PHE H H 1 7.018 0.04 . 1 . . . A 3599 PHE H . 11504 1 1263 . 1 1 104 104 PHE HA H 1 4.497 0.04 . 1 . . . A 3599 PHE HA . 11504 1 1264 . 1 1 104 104 PHE HB2 H 1 3.934 0.04 . 1 . . . A 3599 PHE HB2 . 11504 1 1265 . 1 1 104 104 PHE HB3 H 1 2.448 0.04 . 1 . . . A 3599 PHE HB3 . 11504 1 1266 . 1 1 104 104 PHE HD1 H 1 7.103 0.04 . 3 . . . A 3599 PHE HD1 . 11504 1 1267 . 1 1 104 104 PHE C C 13 176.359 0.40 . 1 . . . A 3599 PHE C . 11504 1 1268 . 1 1 104 104 PHE CA C 13 59.360 0.40 . 1 . . . A 3599 PHE CA . 11504 1 1269 . 1 1 104 104 PHE CB C 13 39.913 0.40 . 1 . . . A 3599 PHE CB . 11504 1 1270 . 1 1 104 104 PHE CD1 C 13 130.700 0.40 . 3 . . . A 3599 PHE CD1 . 11504 1 1271 . 1 1 104 104 PHE N N 15 113.000 0.40 . 1 . . . A 3599 PHE N . 11504 1 1272 . 1 1 105 105 ILE H H 1 8.861 0.04 . 1 . . . A 3600 ILE H . 11504 1 1273 . 1 1 105 105 ILE HA H 1 3.440 0.04 . 1 . . . A 3600 ILE HA . 11504 1 1274 . 1 1 105 105 ILE HB H 1 2.292 0.04 . 1 . . . A 3600 ILE HB . 11504 1 1275 . 1 1 105 105 ILE HG21 H 1 0.948 0.04 . 1 . . . A 3600 ILE HG21 . 11504 1 1276 . 1 1 105 105 ILE HG22 H 1 0.948 0.04 . 1 . . . A 3600 ILE HG22 . 11504 1 1277 . 1 1 105 105 ILE HG23 H 1 0.948 0.04 . 1 . . . A 3600 ILE HG23 . 11504 1 1278 . 1 1 105 105 ILE HD11 H 1 0.897 0.04 . 1 . . . A 3600 ILE HD11 . 11504 1 1279 . 1 1 105 105 ILE HD12 H 1 0.897 0.04 . 1 . . . A 3600 ILE HD12 . 11504 1 1280 . 1 1 105 105 ILE HD13 H 1 0.897 0.04 . 1 . . . A 3600 ILE HD13 . 11504 1 1281 . 1 1 105 105 ILE C C 13 177.510 0.40 . 1 . . . A 3600 ILE C . 11504 1 1282 . 1 1 105 105 ILE CA C 13 67.568 0.40 . 1 . . . A 3600 ILE CA . 11504 1 1283 . 1 1 105 105 ILE CB C 13 37.405 0.40 . 1 . . . A 3600 ILE CB . 11504 1 1284 . 1 1 105 105 ILE CG1 C 13 31.477 0.40 . 1 . . . A 3600 ILE CG1 . 11504 1 1285 . 1 1 105 105 ILE CG2 C 13 17.092 0.40 . 1 . . . A 3600 ILE CG2 . 11504 1 1286 . 1 1 105 105 ILE CD1 C 13 15.020 0.40 . 1 . . . A 3600 ILE CD1 . 11504 1 1287 . 1 1 105 105 ILE N N 15 121.322 0.40 . 1 . . . A 3600 ILE N . 11504 1 1288 . 1 1 106 106 THR H H 1 8.067 0.04 . 1 . . . A 3601 THR H . 11504 1 1289 . 1 1 106 106 THR HA H 1 3.944 0.04 . 1 . . . A 3601 THR HA . 11504 1 1290 . 1 1 106 106 THR HB H 1 3.936 0.04 . 1 . . . A 3601 THR HB . 11504 1 1291 . 1 1 106 106 THR HG21 H 1 1.298 0.04 . 1 . . . A 3601 THR HG21 . 11504 1 1292 . 1 1 106 106 THR HG22 H 1 1.298 0.04 . 1 . . . A 3601 THR HG22 . 11504 1 1293 . 1 1 106 106 THR HG23 H 1 1.298 0.04 . 1 . . . A 3601 THR HG23 . 11504 1 1294 . 1 1 106 106 THR C C 13 175.925 0.40 . 1 . . . A 3601 THR C . 11504 1 1295 . 1 1 106 106 THR CA C 13 67.078 0.40 . 1 . . . A 3601 THR CA . 11504 1 1296 . 1 1 106 106 THR CB C 13 68.720 0.40 . 1 . . . A 3601 THR CB . 11504 1 1297 . 1 1 106 106 THR CG2 C 13 21.195 0.40 . 1 . . . A 3601 THR CG2 . 11504 1 1298 . 1 1 106 106 THR N N 15 114.506 0.40 . 1 . . . A 3601 THR N . 11504 1 1299 . 1 1 107 107 TYR H H 1 6.201 0.04 . 1 . . . A 3602 TYR H . 11504 1 1300 . 1 1 107 107 TYR HA H 1 4.121 0.04 . 1 . . . A 3602 TYR HA . 11504 1 1301 . 1 1 107 107 TYR HB2 H 1 2.665 0.04 . 1 . . . A 3602 TYR HB2 . 11504 1 1302 . 1 1 107 107 TYR HB3 H 1 2.990 0.04 . 1 . . . A 3602 TYR HB3 . 11504 1 1303 . 1 1 107 107 TYR HD1 H 1 6.889 0.04 . 3 . . . A 3602 TYR HD1 . 11504 1 1304 . 1 1 107 107 TYR HE1 H 1 6.554 0.04 . 3 . . . A 3602 TYR HE1 . 11504 1 1305 . 1 1 107 107 TYR C C 13 176.138 0.40 . 1 . . . A 3602 TYR C . 11504 1 1306 . 1 1 107 107 TYR CA C 13 61.508 0.40 . 1 . . . A 3602 TYR CA . 11504 1 1307 . 1 1 107 107 TYR CB C 13 38.848 0.40 . 1 . . . A 3602 TYR CB . 11504 1 1308 . 1 1 107 107 TYR CD1 C 13 133.712 0.40 . 3 . . . A 3602 TYR CD1 . 11504 1 1309 . 1 1 107 107 TYR CE1 C 13 116.857 0.40 . 3 . . . A 3602 TYR CE1 . 11504 1 1310 . 1 1 107 107 TYR N N 15 121.584 0.40 . 1 . . . A 3602 TYR N . 11504 1 1311 . 1 1 108 108 LEU H H 1 8.135 0.04 . 1 . . . A 3603 LEU H . 11504 1 1312 . 1 1 108 108 LEU HA H 1 3.751 0.04 . 1 . . . A 3603 LEU HA . 11504 1 1313 . 1 1 108 108 LEU HD11 H 1 0.859 0.04 . 1 . . . A 3603 LEU HD11 . 11504 1 1314 . 1 1 108 108 LEU HD12 H 1 0.859 0.04 . 1 . . . A 3603 LEU HD12 . 11504 1 1315 . 1 1 108 108 LEU HD13 H 1 0.859 0.04 . 1 . . . A 3603 LEU HD13 . 11504 1 1316 . 1 1 108 108 LEU HD21 H 1 0.728 0.04 . 1 . . . A 3603 LEU HD21 . 11504 1 1317 . 1 1 108 108 LEU HD22 H 1 0.728 0.04 . 1 . . . A 3603 LEU HD22 . 11504 1 1318 . 1 1 108 108 LEU HD23 H 1 0.728 0.04 . 1 . . . A 3603 LEU HD23 . 11504 1 1319 . 1 1 108 108 LEU C C 13 179.808 0.40 . 1 . . . A 3603 LEU C . 11504 1 1320 . 1 1 108 108 LEU CA C 13 58.230 0.40 . 1 . . . A 3603 LEU CA . 11504 1 1321 . 1 1 108 108 LEU CB C 13 39.665 0.40 . 1 . . . A 3603 LEU CB . 11504 1 1322 . 1 1 108 108 LEU CG C 13 24.858 0.40 . 1 . . . A 3603 LEU CG . 11504 1 1323 . 1 1 108 108 LEU CD1 C 13 25.351 0.40 . 1 . . . A 3603 LEU CD1 . 11504 1 1324 . 1 1 108 108 LEU CD2 C 13 20.480 0.40 . 1 . . . A 3603 LEU CD2 . 11504 1 1325 . 1 1 108 108 LEU N N 15 119.389 0.40 . 1 . . . A 3603 LEU N . 11504 1 1326 . 1 1 109 109 GLN H H 1 8.650 0.04 . 1 . . . A 3604 GLN H . 11504 1 1327 . 1 1 109 109 GLN HA H 1 4.101 0.04 . 1 . . . A 3604 GLN HA . 11504 1 1328 . 1 1 109 109 GLN HB2 H 1 2.248 0.04 . 2 . . . A 3604 GLN HB2 . 11504 1 1329 . 1 1 109 109 GLN HB3 H 1 1.970 0.04 . 2 . . . A 3604 GLN HB3 . 11504 1 1330 . 1 1 109 109 GLN HG2 H 1 2.700 0.04 . 2 . . . A 3604 GLN HG2 . 11504 1 1331 . 1 1 109 109 GLN HG3 H 1 2.325 0.04 . 2 . . . A 3604 GLN HG3 . 11504 1 1332 . 1 1 109 109 GLN C C 13 179.832 0.40 . 1 . . . A 3604 GLN C . 11504 1 1333 . 1 1 109 109 GLN CA C 13 59.248 0.40 . 1 . . . A 3604 GLN CA . 11504 1 1334 . 1 1 109 109 GLN CB C 13 27.702 0.40 . 1 . . . A 3604 GLN CB . 11504 1 1335 . 1 1 109 109 GLN CG C 13 35.011 0.40 . 1 . . . A 3604 GLN CG . 11504 1 1336 . 1 1 109 109 GLN N N 15 117.490 0.40 . 1 . . . A 3604 GLN N . 11504 1 1337 . 1 1 110 110 ALA H H 1 8.275 0.04 . 1 . . . A 3605 ALA H . 11504 1 1338 . 1 1 110 110 ALA HA H 1 4.102 0.04 . 1 . . . A 3605 ALA HA . 11504 1 1339 . 1 1 110 110 ALA HB1 H 1 1.465 0.04 . 1 . . . A 3605 ALA HB1 . 11504 1 1340 . 1 1 110 110 ALA HB2 H 1 1.465 0.04 . 1 . . . A 3605 ALA HB2 . 11504 1 1341 . 1 1 110 110 ALA HB3 H 1 1.465 0.04 . 1 . . . A 3605 ALA HB3 . 11504 1 1342 . 1 1 110 110 ALA C C 13 180.351 0.40 . 1 . . . A 3605 ALA C . 11504 1 1343 . 1 1 110 110 ALA CA C 13 55.219 0.40 . 1 . . . A 3605 ALA CA . 11504 1 1344 . 1 1 110 110 ALA CB C 13 17.813 0.40 . 1 . . . A 3605 ALA CB . 11504 1 1345 . 1 1 110 110 ALA N N 15 125.542 0.40 . 1 . . . A 3605 ALA N . 11504 1 1346 . 1 1 111 111 LYS H H 1 7.611 0.04 . 1 . . . A 3606 LYS H . 11504 1 1347 . 1 1 111 111 LYS HA H 1 4.030 0.04 . 1 . . . A 3606 LYS HA . 11504 1 1348 . 1 1 111 111 LYS HB2 H 1 1.327 0.04 . 1 . . . A 3606 LYS HB2 . 11504 1 1349 . 1 1 111 111 LYS HB3 H 1 1.575 0.04 . 1 . . . A 3606 LYS HB3 . 11504 1 1350 . 1 1 111 111 LYS HG2 H 1 0.929 0.04 . 2 . . . A 3606 LYS HG2 . 11504 1 1351 . 1 1 111 111 LYS HG3 H 1 0.574 0.04 . 2 . . . A 3606 LYS HG3 . 11504 1 1352 . 1 1 111 111 LYS HD2 H 1 1.323 0.04 . 2 . . . A 3606 LYS HD2 . 11504 1 1353 . 1 1 111 111 LYS HD3 H 1 1.157 0.04 . 2 . . . A 3606 LYS HD3 . 11504 1 1354 . 1 1 111 111 LYS HE2 H 1 2.798 0.04 . 2 . . . A 3606 LYS HE2 . 11504 1 1355 . 1 1 111 111 LYS HE3 H 1 2.617 0.04 . 2 . . . A 3606 LYS HE3 . 11504 1 1356 . 1 1 111 111 LYS C C 13 174.972 0.40 . 1 . . . A 3606 LYS C . 11504 1 1357 . 1 1 111 111 LYS CA C 13 53.994 0.40 . 1 . . . A 3606 LYS CA . 11504 1 1358 . 1 1 111 111 LYS CB C 13 31.799 0.40 . 1 . . . A 3606 LYS CB . 11504 1 1359 . 1 1 111 111 LYS CG C 13 23.794 0.40 . 1 . . . A 3606 LYS CG . 11504 1 1360 . 1 1 111 111 LYS CD C 13 27.526 0.40 . 1 . . . A 3606 LYS CD . 11504 1 1361 . 1 1 111 111 LYS CE C 13 42.055 0.40 . 1 . . . A 3606 LYS CE . 11504 1 1362 . 1 1 111 111 LYS N N 15 115.775 0.40 . 1 . . . A 3606 LYS N . 11504 1 1363 . 1 1 112 112 GLN H H 1 7.750 0.04 . 1 . . . A 3607 GLN H . 11504 1 1364 . 1 1 112 112 GLN HA H 1 3.735 0.04 . 1 . . . A 3607 GLN HA . 11504 1 1365 . 1 1 112 112 GLN HB2 H 1 2.174 0.04 . 2 . . . A 3607 GLN HB2 . 11504 1 1366 . 1 1 112 112 GLN HB3 H 1 2.173 0.04 . 2 . . . A 3607 GLN HB3 . 11504 1 1367 . 1 1 112 112 GLN HG2 H 1 2.375 0.04 . 2 . . . A 3607 GLN HG2 . 11504 1 1368 . 1 1 112 112 GLN HG3 H 1 2.308 0.04 . 2 . . . A 3607 GLN HG3 . 11504 1 1369 . 1 1 112 112 GLN C C 13 173.721 0.40 . 1 . . . A 3607 GLN C . 11504 1 1370 . 1 1 112 112 GLN CA C 13 56.152 0.40 . 1 . . . A 3607 GLN CA . 11504 1 1371 . 1 1 112 112 GLN CB C 13 26.995 0.40 . 1 . . . A 3607 GLN CB . 11504 1 1372 . 1 1 112 112 GLN CG C 13 34.315 0.40 . 1 . . . A 3607 GLN CG . 11504 1 1373 . 1 1 112 112 GLN N N 15 120.573 0.40 . 1 . . . A 3607 GLN N . 11504 1 1374 . 1 1 113 113 ALA H H 1 8.306 0.04 . 1 . . . A 3608 ALA H . 11504 1 1375 . 1 1 113 113 ALA HA H 1 5.197 0.04 . 1 . . . A 3608 ALA HA . 11504 1 1376 . 1 1 113 113 ALA HB1 H 1 0.980 0.04 . 1 . . . A 3608 ALA HB1 . 11504 1 1377 . 1 1 113 113 ALA HB2 H 1 0.980 0.04 . 1 . . . A 3608 ALA HB2 . 11504 1 1378 . 1 1 113 113 ALA HB3 H 1 0.980 0.04 . 1 . . . A 3608 ALA HB3 . 11504 1 1379 . 1 1 113 113 ALA C C 13 173.755 0.40 . 1 . . . A 3608 ALA C . 11504 1 1380 . 1 1 113 113 ALA CA C 13 50.715 0.40 . 1 . . . A 3608 ALA CA . 11504 1 1381 . 1 1 113 113 ALA CB C 13 24.546 0.40 . 1 . . . A 3608 ALA CB . 11504 1 1382 . 1 1 113 113 ALA N N 15 122.030 0.40 . 1 . . . A 3608 ALA N . 11504 1 1383 . 1 1 114 114 ALA H H 1 8.497 0.04 . 1 . . . A 3609 ALA H . 11504 1 1384 . 1 1 114 114 ALA HA H 1 4.829 0.04 . 1 . . . A 3609 ALA HA . 11504 1 1385 . 1 1 114 114 ALA HB1 H 1 0.394 0.04 . 1 . . . A 3609 ALA HB1 . 11504 1 1386 . 1 1 114 114 ALA HB2 H 1 0.394 0.04 . 1 . . . A 3609 ALA HB2 . 11504 1 1387 . 1 1 114 114 ALA HB3 H 1 0.394 0.04 . 1 . . . A 3609 ALA HB3 . 11504 1 1388 . 1 1 114 114 ALA C C 13 179.072 0.40 . 1 . . . A 3609 ALA C . 11504 1 1389 . 1 1 114 114 ALA CA C 13 49.068 0.40 . 1 . . . A 3609 ALA CA . 11504 1 1390 . 1 1 114 114 ALA CB C 13 20.209 0.40 . 1 . . . A 3609 ALA CB . 11504 1 1391 . 1 1 114 114 ALA N N 15 117.639 0.40 . 1 . . . A 3609 ALA N . 11504 1 1392 . 1 1 115 115 GLY H H 1 9.510 0.04 . 1 . . . A 3610 GLY H . 11504 1 1393 . 1 1 115 115 GLY HA2 H 1 4.299 0.04 . 2 . . . A 3610 GLY HA2 . 11504 1 1394 . 1 1 115 115 GLY HA3 H 1 3.146 0.04 . 2 . . . A 3610 GLY HA3 . 11504 1 1395 . 1 1 115 115 GLY C C 13 171.128 0.40 . 1 . . . A 3610 GLY C . 11504 1 1396 . 1 1 115 115 GLY CA C 13 44.769 0.40 . 1 . . . A 3610 GLY CA . 11504 1 1397 . 1 1 115 115 GLY N N 15 109.563 0.40 . 1 . . . A 3610 GLY N . 11504 1 1398 . 1 1 116 116 ILE H H 1 8.073 0.04 . 1 . . . A 3611 ILE H . 11504 1 1399 . 1 1 116 116 ILE HA H 1 4.981 0.04 . 1 . . . A 3611 ILE HA . 11504 1 1400 . 1 1 116 116 ILE HB H 1 1.224 0.04 . 1 . . . A 3611 ILE HB . 11504 1 1401 . 1 1 116 116 ILE HG21 H 1 0.208 0.04 . 1 . . . A 3611 ILE HG21 . 11504 1 1402 . 1 1 116 116 ILE HG22 H 1 0.208 0.04 . 1 . . . A 3611 ILE HG22 . 11504 1 1403 . 1 1 116 116 ILE HG23 H 1 0.208 0.04 . 1 . . . A 3611 ILE HG23 . 11504 1 1404 . 1 1 116 116 ILE HD11 H 1 0.276 0.04 . 1 . . . A 3611 ILE HD11 . 11504 1 1405 . 1 1 116 116 ILE HD12 H 1 0.276 0.04 . 1 . . . A 3611 ILE HD12 . 11504 1 1406 . 1 1 116 116 ILE HD13 H 1 0.276 0.04 . 1 . . . A 3611 ILE HD13 . 11504 1 1407 . 1 1 116 116 ILE C C 13 175.436 0.40 . 1 . . . A 3611 ILE C . 11504 1 1408 . 1 1 116 116 ILE CA C 13 57.440 0.40 . 1 . . . A 3611 ILE CA . 11504 1 1409 . 1 1 116 116 ILE CB C 13 38.786 0.40 . 1 . . . A 3611 ILE CB . 11504 1 1410 . 1 1 116 116 ILE CG1 C 13 24.333 0.40 . 1 . . . A 3611 ILE CG1 . 11504 1 1411 . 1 1 116 116 ILE CG2 C 13 16.064 0.40 . 1 . . . A 3611 ILE CG2 . 11504 1 1412 . 1 1 116 116 ILE CD1 C 13 9.868 0.40 . 1 . . . A 3611 ILE CD1 . 11504 1 1413 . 1 1 116 116 ILE N N 15 124.912 0.40 . 1 . . . A 3611 ILE N . 11504 1 1414 . 1 1 117 117 ILE H H 1 8.400 0.04 . 1 . . . A 3612 ILE H . 11504 1 1415 . 1 1 117 117 ILE HA H 1 4.232 0.04 . 1 . . . A 3612 ILE HA . 11504 1 1416 . 1 1 117 117 ILE HB H 1 1.679 0.04 . 1 . . . A 3612 ILE HB . 11504 1 1417 . 1 1 117 117 ILE HG12 H 1 1.358 0.04 . 2 . . . A 3612 ILE HG12 . 11504 1 1418 . 1 1 117 117 ILE HG13 H 1 1.225 0.04 . 2 . . . A 3612 ILE HG13 . 11504 1 1419 . 1 1 117 117 ILE HG21 H 1 0.814 0.04 . 1 . . . A 3612 ILE HG21 . 11504 1 1420 . 1 1 117 117 ILE HG22 H 1 0.814 0.04 . 1 . . . A 3612 ILE HG22 . 11504 1 1421 . 1 1 117 117 ILE HG23 H 1 0.814 0.04 . 1 . . . A 3612 ILE HG23 . 11504 1 1422 . 1 1 117 117 ILE HD11 H 1 0.547 0.04 . 1 . . . A 3612 ILE HD11 . 11504 1 1423 . 1 1 117 117 ILE HD12 H 1 0.547 0.04 . 1 . . . A 3612 ILE HD12 . 11504 1 1424 . 1 1 117 117 ILE HD13 H 1 0.547 0.04 . 1 . . . A 3612 ILE HD13 . 11504 1 1425 . 1 1 117 117 ILE C C 13 174.372 0.40 . 1 . . . A 3612 ILE C . 11504 1 1426 . 1 1 117 117 ILE CA C 13 61.089 0.40 . 1 . . . A 3612 ILE CA . 11504 1 1427 . 1 1 117 117 ILE CB C 13 41.239 0.40 . 1 . . . A 3612 ILE CB . 11504 1 1428 . 1 1 117 117 ILE CG1 C 13 27.201 0.40 . 1 . . . A 3612 ILE CG1 . 11504 1 1429 . 1 1 117 117 ILE CG2 C 13 16.460 0.40 . 1 . . . A 3612 ILE CG2 . 11504 1 1430 . 1 1 117 117 ILE CD1 C 13 14.858 0.40 . 1 . . . A 3612 ILE CD1 . 11504 1 1431 . 1 1 117 117 ILE N N 15 127.487 0.40 . 1 . . . A 3612 ILE N . 11504 1 1432 . 1 1 118 118 ASN H H 1 8.909 0.04 . 1 . . . A 3613 ASN H . 11504 1 1433 . 1 1 118 118 ASN HA H 1 5.207 0.04 . 1 . . . A 3613 ASN HA . 11504 1 1434 . 1 1 118 118 ASN HB2 H 1 2.650 0.04 . 1 . . . A 3613 ASN HB2 . 11504 1 1435 . 1 1 118 118 ASN HB3 H 1 2.397 0.04 . 1 . . . A 3613 ASN HB3 . 11504 1 1436 . 1 1 118 118 ASN C C 13 174.824 0.40 . 1 . . . A 3613 ASN C . 11504 1 1437 . 1 1 118 118 ASN CA C 13 53.014 0.40 . 1 . . . A 3613 ASN CA . 11504 1 1438 . 1 1 118 118 ASN CB C 13 40.675 0.40 . 1 . . . A 3613 ASN CB . 11504 1 1439 . 1 1 118 118 ASN N N 15 127.796 0.40 . 1 . . . A 3613 ASN N . 11504 1 1440 . 1 1 119 119 VAL H H 1 8.838 0.04 . 1 . . . A 3614 VAL H . 11504 1 1441 . 1 1 119 119 VAL HA H 1 4.565 0.04 . 1 . . . A 3614 VAL HA . 11504 1 1442 . 1 1 119 119 VAL HG11 H 1 1.117 0.04 . 1 . . . A 3614 VAL HG11 . 11504 1 1443 . 1 1 119 119 VAL HG12 H 1 1.117 0.04 . 1 . . . A 3614 VAL HG12 . 11504 1 1444 . 1 1 119 119 VAL HG13 H 1 1.117 0.04 . 1 . . . A 3614 VAL HG13 . 11504 1 1445 . 1 1 119 119 VAL HG21 H 1 0.867 0.04 . 1 . . . A 3614 VAL HG21 . 11504 1 1446 . 1 1 119 119 VAL HG22 H 1 0.867 0.04 . 1 . . . A 3614 VAL HG22 . 11504 1 1447 . 1 1 119 119 VAL HG23 H 1 0.867 0.04 . 1 . . . A 3614 VAL HG23 . 11504 1 1448 . 1 1 119 119 VAL C C 13 174.156 0.40 . 1 . . . A 3614 VAL C . 11504 1 1449 . 1 1 119 119 VAL CA C 13 59.691 0.40 . 1 . . . A 3614 VAL CA . 11504 1 1450 . 1 1 119 119 VAL CB C 13 33.945 0.40 . 1 . . . A 3614 VAL CB . 11504 1 1451 . 1 1 119 119 VAL CG1 C 13 20.661 0.40 . 2 . . . A 3614 VAL CG1 . 11504 1 1452 . 1 1 119 119 VAL CG2 C 13 20.379 0.40 . 2 . . . A 3614 VAL CG2 . 11504 1 1453 . 1 1 119 119 VAL N N 15 126.700 0.40 . 1 . . . A 3614 VAL N . 11504 1 1454 . 1 1 120 120 PRO HA H 1 4.718 0.04 . 1 . . . A 3615 PRO HA . 11504 1 1455 . 1 1 120 120 PRO HB2 H 1 1.984 0.04 . 2 . . . A 3615 PRO HB2 . 11504 1 1456 . 1 1 120 120 PRO HB3 H 1 1.981 0.04 . 2 . . . A 3615 PRO HB3 . 11504 1 1457 . 1 1 120 120 PRO HG2 H 1 1.927 0.04 . 2 . . . A 3615 PRO HG2 . 11504 1 1458 . 1 1 120 120 PRO HG3 H 1 1.904 0.04 . 2 . . . A 3615 PRO HG3 . 11504 1 1459 . 1 1 120 120 PRO HD2 H 1 3.815 0.04 . 2 . . . A 3615 PRO HD2 . 11504 1 1460 . 1 1 120 120 PRO HD3 H 1 3.801 0.04 . 2 . . . A 3615 PRO HD3 . 11504 1 1461 . 1 1 120 120 PRO C C 13 176.382 0.40 . 1 . . . A 3615 PRO C . 11504 1 1462 . 1 1 120 120 PRO CA C 13 62.654 0.40 . 1 . . . A 3615 PRO CA . 11504 1 1463 . 1 1 120 120 PRO CB C 13 32.605 0.40 . 1 . . . A 3615 PRO CB . 11504 1 1464 . 1 1 120 120 PRO CG C 13 26.575 0.40 . 1 . . . A 3615 PRO CG . 11504 1 1465 . 1 1 120 120 PRO CD C 13 51.216 0.40 . 1 . . . A 3615 PRO CD . 11504 1 1466 . 1 1 121 121 ASN H H 1 8.516 0.04 . 1 . . . A 3616 ASN H . 11504 1 1467 . 1 1 121 121 ASN HA H 1 4.947 0.04 . 1 . . . A 3616 ASN HA . 11504 1 1468 . 1 1 121 121 ASN C C 13 173.572 0.40 . 1 . . . A 3616 ASN C . 11504 1 1469 . 1 1 121 121 ASN CA C 13 51.472 0.40 . 1 . . . A 3616 ASN CA . 11504 1 1470 . 1 1 121 121 ASN CB C 13 38.700 0.40 . 1 . . . A 3616 ASN CB . 11504 1 1471 . 1 1 121 121 ASN N N 15 121.475 0.40 . 1 . . . A 3616 ASN N . 11504 1 1472 . 1 1 122 122 PRO HA H 1 4.347 0.04 . 1 . . . A 3617 PRO HA . 11504 1 1473 . 1 1 122 122 PRO HG2 H 1 2.073 0.04 . 2 . . . A 3617 PRO HG2 . 11504 1 1474 . 1 1 122 122 PRO HG3 H 1 1.904 0.04 . 2 . . . A 3617 PRO HG3 . 11504 1 1475 . 1 1 122 122 PRO HD2 H 1 3.901 0.04 . 2 . . . A 3617 PRO HD2 . 11504 1 1476 . 1 1 122 122 PRO HD3 H 1 3.700 0.04 . 2 . . . A 3617 PRO HD3 . 11504 1 1477 . 1 1 122 122 PRO C C 13 177.684 0.40 . 1 . . . A 3617 PRO C . 11504 1 1478 . 1 1 122 122 PRO CA C 13 64.152 0.40 . 1 . . . A 3617 PRO CA . 11504 1 1479 . 1 1 122 122 PRO CB C 13 31.662 0.40 . 1 . . . A 3617 PRO CB . 11504 1 1480 . 1 1 122 122 PRO CG C 13 27.584 0.40 . 1 . . . A 3617 PRO CG . 11504 1 1481 . 1 1 122 122 PRO CD C 13 50.537 0.40 . 1 . . . A 3617 PRO CD . 11504 1 1482 . 1 1 123 123 GLY H H 1 8.543 0.04 . 1 . . . A 3618 GLY H . 11504 1 1483 . 1 1 123 123 GLY HA2 H 1 4.049 0.04 . 2 . . . A 3618 GLY HA2 . 11504 1 1484 . 1 1 123 123 GLY HA3 H 1 3.819 0.04 . 2 . . . A 3618 GLY HA3 . 11504 1 1485 . 1 1 123 123 GLY C C 13 173.800 0.40 . 1 . . . A 3618 GLY C . 11504 1 1486 . 1 1 123 123 GLY CA C 13 45.411 0.40 . 1 . . . A 3618 GLY CA . 11504 1 1487 . 1 1 123 123 GLY N N 15 112.030 0.40 . 1 . . . A 3618 GLY N . 11504 1 1488 . 1 1 124 124 SER H H 1 7.980 0.04 . 1 . . . A 3619 SER H . 11504 1 1489 . 1 1 124 124 SER HA H 1 4.641 0.04 . 1 . . . A 3619 SER HA . 11504 1 1490 . 1 1 124 124 SER HB2 H 1 3.767 0.04 . 2 . . . A 3619 SER HB2 . 11504 1 1491 . 1 1 124 124 SER HB3 H 1 3.870 0.04 . 2 . . . A 3619 SER HB3 . 11504 1 1492 . 1 1 124 124 SER C C 13 173.718 0.40 . 1 . . . A 3619 SER C . 11504 1 1493 . 1 1 124 124 SER CA C 13 57.069 0.40 . 1 . . . A 3619 SER CA . 11504 1 1494 . 1 1 124 124 SER CB C 13 64.855 0.40 . 1 . . . A 3619 SER CB . 11504 1 1495 . 1 1 124 124 SER N N 15 116.441 0.40 . 1 . . . A 3619 SER N . 11504 1 1496 . 1 1 127 127 PRO HA H 1 4.022 0.04 . 1 . . . A 3622 PRO HA . 11504 1 1497 . 1 1 127 127 PRO HB2 H 1 2.086 0.04 . 2 . . . A 3622 PRO HB2 . 11504 1 1498 . 1 1 127 127 PRO HB3 H 1 1.727 0.04 . 2 . . . A 3622 PRO HB3 . 11504 1 1499 . 1 1 127 127 PRO HG2 H 1 1.846 0.04 . 2 . . . A 3622 PRO HG2 . 11504 1 1500 . 1 1 127 127 PRO HG3 H 1 1.970 0.04 . 2 . . . A 3622 PRO HG3 . 11504 1 1501 . 1 1 127 127 PRO HD2 H 1 3.812 0.04 . 2 . . . A 3622 PRO HD2 . 11504 1 1502 . 1 1 127 127 PRO HD3 H 1 3.577 0.04 . 2 . . . A 3622 PRO HD3 . 11504 1 1503 . 1 1 127 127 PRO C C 13 174.870 0.40 . 1 . . . A 3622 PRO C . 11504 1 1504 . 1 1 127 127 PRO CA C 13 64.005 0.40 . 1 . . . A 3622 PRO CA . 11504 1 1505 . 1 1 127 127 PRO CB C 13 32.257 0.40 . 1 . . . A 3622 PRO CB . 11504 1 1506 . 1 1 127 127 PRO CG C 13 27.450 0.40 . 1 . . . A 3622 PRO CG . 11504 1 1507 . 1 1 127 127 PRO CD C 13 50.438 0.40 . 1 . . . A 3622 PRO CD . 11504 1 1508 . 1 1 128 128 ALA H H 1 8.698 0.04 . 1 . . . A 3623 ALA H . 11504 1 1509 . 1 1 128 128 ALA HA H 1 4.322 0.04 . 1 . . . A 3623 ALA HA . 11504 1 1510 . 1 1 128 128 ALA HB1 H 1 1.085 0.04 . 1 . . . A 3623 ALA HB1 . 11504 1 1511 . 1 1 128 128 ALA HB2 H 1 1.085 0.04 . 1 . . . A 3623 ALA HB2 . 11504 1 1512 . 1 1 128 128 ALA HB3 H 1 1.085 0.04 . 1 . . . A 3623 ALA HB3 . 11504 1 1513 . 1 1 128 128 ALA C C 13 176.599 0.40 . 1 . . . A 3623 ALA C . 11504 1 1514 . 1 1 128 128 ALA CA C 13 52.573 0.40 . 1 . . . A 3623 ALA CA . 11504 1 1515 . 1 1 128 128 ALA CB C 13 21.410 0.40 . 1 . . . A 3623 ALA CB . 11504 1 1516 . 1 1 128 128 ALA N N 15 126.250 0.40 . 1 . . . A 3623 ALA N . 11504 1 1517 . 1 1 129 129 TYR H H 1 8.131 0.04 . 1 . . . A 3624 TYR H . 11504 1 1518 . 1 1 129 129 TYR HA H 1 5.230 0.04 . 1 . . . A 3624 TYR HA . 11504 1 1519 . 1 1 129 129 TYR HB2 H 1 2.510 0.04 . 1 . . . A 3624 TYR HB2 . 11504 1 1520 . 1 1 129 129 TYR HB3 H 1 2.736 0.04 . 1 . . . A 3624 TYR HB3 . 11504 1 1521 . 1 1 129 129 TYR HD1 H 1 6.734 0.04 . 3 . . . A 3624 TYR HD1 . 11504 1 1522 . 1 1 129 129 TYR HE1 H 1 6.614 0.04 . 3 . . . A 3624 TYR HE1 . 11504 1 1523 . 1 1 129 129 TYR C C 13 173.827 0.40 . 1 . . . A 3624 TYR C . 11504 1 1524 . 1 1 129 129 TYR CA C 13 56.148 0.40 . 1 . . . A 3624 TYR CA . 11504 1 1525 . 1 1 129 129 TYR CB C 13 42.532 0.40 . 1 . . . A 3624 TYR CB . 11504 1 1526 . 1 1 129 129 TYR CD1 C 13 133.100 0.40 . 3 . . . A 3624 TYR CD1 . 11504 1 1527 . 1 1 129 129 TYR CE1 C 13 117.790 0.40 . 3 . . . A 3624 TYR CE1 . 11504 1 1528 . 1 1 129 129 TYR N N 15 117.461 0.40 . 1 . . . A 3624 TYR N . 11504 1 1529 . 1 1 130 130 VAL H H 1 9.029 0.04 . 1 . . . A 3625 VAL H . 11504 1 1530 . 1 1 130 130 VAL HA H 1 4.992 0.04 . 1 . . . A 3625 VAL HA . 11504 1 1531 . 1 1 130 130 VAL HB H 1 1.893 0.04 . 1 . . . A 3625 VAL HB . 11504 1 1532 . 1 1 130 130 VAL HG11 H 1 0.861 0.04 . 1 . . . A 3625 VAL HG11 . 11504 1 1533 . 1 1 130 130 VAL HG12 H 1 0.861 0.04 . 1 . . . A 3625 VAL HG12 . 11504 1 1534 . 1 1 130 130 VAL HG13 H 1 0.861 0.04 . 1 . . . A 3625 VAL HG13 . 11504 1 1535 . 1 1 130 130 VAL HG21 H 1 0.876 0.04 . 1 . . . A 3625 VAL HG21 . 11504 1 1536 . 1 1 130 130 VAL HG22 H 1 0.876 0.04 . 1 . . . A 3625 VAL HG22 . 11504 1 1537 . 1 1 130 130 VAL HG23 H 1 0.876 0.04 . 1 . . . A 3625 VAL HG23 . 11504 1 1538 . 1 1 130 130 VAL C C 13 173.617 0.40 . 1 . . . A 3625 VAL C . 11504 1 1539 . 1 1 130 130 VAL CA C 13 59.841 0.40 . 1 . . . A 3625 VAL CA . 11504 1 1540 . 1 1 130 130 VAL CB C 13 35.278 0.40 . 1 . . . A 3625 VAL CB . 11504 1 1541 . 1 1 130 130 VAL CG1 C 13 20.333 0.40 . 1 . . . A 3625 VAL CG1 . 11504 1 1542 . 1 1 130 130 VAL CG2 C 13 21.399 0.40 . 1 . . . A 3625 VAL CG2 . 11504 1 1543 . 1 1 130 130 VAL N N 15 121.520 0.40 . 1 . . . A 3625 VAL N . 11504 1 1544 . 1 1 131 131 LEU H H 1 9.111 0.04 . 1 . . . A 3626 LEU H . 11504 1 1545 . 1 1 131 131 LEU HA H 1 4.837 0.04 . 1 . . . A 3626 LEU HA . 11504 1 1546 . 1 1 131 131 LEU HB2 H 1 1.657 0.04 . 2 . . . A 3626 LEU HB2 . 11504 1 1547 . 1 1 131 131 LEU HB3 H 1 1.149 0.04 . 2 . . . A 3626 LEU HB3 . 11504 1 1548 . 1 1 131 131 LEU HG H 1 1.484 0.04 . 1 . . . A 3626 LEU HG . 11504 1 1549 . 1 1 131 131 LEU HD11 H 1 0.641 0.04 . 1 . . . A 3626 LEU HD11 . 11504 1 1550 . 1 1 131 131 LEU HD12 H 1 0.641 0.04 . 1 . . . A 3626 LEU HD12 . 11504 1 1551 . 1 1 131 131 LEU HD13 H 1 0.641 0.04 . 1 . . . A 3626 LEU HD13 . 11504 1 1552 . 1 1 131 131 LEU HD21 H 1 0.500 0.04 . 1 . . . A 3626 LEU HD21 . 11504 1 1553 . 1 1 131 131 LEU HD22 H 1 0.500 0.04 . 1 . . . A 3626 LEU HD22 . 11504 1 1554 . 1 1 131 131 LEU HD23 H 1 0.500 0.04 . 1 . . . A 3626 LEU HD23 . 11504 1 1555 . 1 1 131 131 LEU C C 13 175.284 0.40 . 1 . . . A 3626 LEU C . 11504 1 1556 . 1 1 131 131 LEU CA C 13 55.055 0.40 . 1 . . . A 3626 LEU CA . 11504 1 1557 . 1 1 131 131 LEU CB C 13 42.589 0.40 . 1 . . . A 3626 LEU CB . 11504 1 1558 . 1 1 131 131 LEU CG C 13 29.567 0.40 . 1 . . . A 3626 LEU CG . 11504 1 1559 . 1 1 131 131 LEU CD1 C 13 24.534 0.40 . 1 . . . A 3626 LEU CD1 . 11504 1 1560 . 1 1 131 131 LEU CD2 C 13 26.310 0.40 . 1 . . . A 3626 LEU CD2 . 11504 1 1561 . 1 1 131 131 LEU N N 15 128.315 0.40 . 1 . . . A 3626 LEU N . 11504 1 1562 . 1 1 132 132 GLN H H 1 8.784 0.04 . 1 . . . A 3627 GLN H . 11504 1 1563 . 1 1 132 132 GLN HA H 1 4.817 0.04 . 1 . . . A 3627 GLN HA . 11504 1 1564 . 1 1 132 132 GLN HB2 H 1 2.354 0.04 . 1 . . . A 3627 GLN HB2 . 11504 1 1565 . 1 1 132 132 GLN HB3 H 1 1.462 0.04 . 1 . . . A 3627 GLN HB3 . 11504 1 1566 . 1 1 132 132 GLN HG2 H 1 1.835 0.04 . 2 . . . A 3627 GLN HG2 . 11504 1 1567 . 1 1 132 132 GLN HG3 H 1 2.165 0.04 . 2 . . . A 3627 GLN HG3 . 11504 1 1568 . 1 1 132 132 GLN C C 13 174.746 0.40 . 1 . . . A 3627 GLN C . 11504 1 1569 . 1 1 132 132 GLN CA C 13 54.222 0.40 . 1 . . . A 3627 GLN CA . 11504 1 1570 . 1 1 132 132 GLN CB C 13 30.661 0.40 . 1 . . . A 3627 GLN CB . 11504 1 1571 . 1 1 132 132 GLN CG C 13 34.374 0.40 . 1 . . . A 3627 GLN CG . 11504 1 1572 . 1 1 132 132 GLN N N 15 123.412 0.40 . 1 . . . A 3627 GLN N . 11504 1 1573 . 1 1 133 133 ILE H H 1 9.438 0.04 . 1 . . . A 3628 ILE H . 11504 1 1574 . 1 1 133 133 ILE HA H 1 4.437 0.04 . 1 . . . A 3628 ILE HA . 11504 1 1575 . 1 1 133 133 ILE HB H 1 1.523 0.04 . 1 . . . A 3628 ILE HB . 11504 1 1576 . 1 1 133 133 ILE HG12 H 1 1.344 0.04 . 2 . . . A 3628 ILE HG12 . 11504 1 1577 . 1 1 133 133 ILE HG13 H 1 0.866 0.04 . 2 . . . A 3628 ILE HG13 . 11504 1 1578 . 1 1 133 133 ILE HG21 H 1 0.727 0.04 . 1 . . . A 3628 ILE HG21 . 11504 1 1579 . 1 1 133 133 ILE HG22 H 1 0.727 0.04 . 1 . . . A 3628 ILE HG22 . 11504 1 1580 . 1 1 133 133 ILE HG23 H 1 0.727 0.04 . 1 . . . A 3628 ILE HG23 . 11504 1 1581 . 1 1 133 133 ILE HD11 H 1 0.623 0.04 . 1 . . . A 3628 ILE HD11 . 11504 1 1582 . 1 1 133 133 ILE HD12 H 1 0.623 0.04 . 1 . . . A 3628 ILE HD12 . 11504 1 1583 . 1 1 133 133 ILE HD13 H 1 0.623 0.04 . 1 . . . A 3628 ILE HD13 . 11504 1 1584 . 1 1 133 133 ILE C C 13 173.697 0.40 . 1 . . . A 3628 ILE C . 11504 1 1585 . 1 1 133 133 ILE CA C 13 60.872 0.40 . 1 . . . A 3628 ILE CA . 11504 1 1586 . 1 1 133 133 ILE CB C 13 39.278 0.40 . 1 . . . A 3628 ILE CB . 11504 1 1587 . 1 1 133 133 ILE CG1 C 13 27.356 0.40 . 1 . . . A 3628 ILE CG1 . 11504 1 1588 . 1 1 133 133 ILE CG2 C 13 19.043 0.40 . 1 . . . A 3628 ILE CG2 . 11504 1 1589 . 1 1 133 133 ILE CD1 C 13 14.148 0.40 . 1 . . . A 3628 ILE CD1 . 11504 1 1590 . 1 1 133 133 ILE N N 15 125.895 0.40 . 1 . . . A 3628 ILE N . 11504 1 1591 . 1 1 134 134 PHE H H 1 10.038 0.04 . 1 . . . A 3629 PHE H . 11504 1 1592 . 1 1 134 134 PHE HA H 1 4.908 0.04 . 1 . . . A 3629 PHE HA . 11504 1 1593 . 1 1 134 134 PHE HB2 H 1 3.197 0.04 . 2 . . . A 3629 PHE HB2 . 11504 1 1594 . 1 1 134 134 PHE HB3 H 1 3.264 0.04 . 2 . . . A 3629 PHE HB3 . 11504 1 1595 . 1 1 134 134 PHE HD2 H 1 7.283 0.04 . 3 . . . A 3629 PHE HD2 . 11504 1 1596 . 1 1 134 134 PHE C C 13 174.363 0.40 . 1 . . . A 3629 PHE C . 11504 1 1597 . 1 1 134 134 PHE CA C 13 55.916 0.40 . 1 . . . A 3629 PHE CA . 11504 1 1598 . 1 1 134 134 PHE CB C 13 39.847 0.40 . 1 . . . A 3629 PHE CB . 11504 1 1599 . 1 1 134 134 PHE CD2 C 13 132.032 0.40 . 3 . . . A 3629 PHE CD2 . 11504 1 1600 . 1 1 134 134 PHE N N 15 127.813 0.40 . 1 . . . A 3629 PHE N . 11504 1 1601 . 1 1 135 135 PRO HA H 1 5.018 0.04 . 1 . . . A 3630 PRO HA . 11504 1 1602 . 1 1 135 135 PRO HB2 H 1 2.079 0.04 . 2 . . . A 3630 PRO HB2 . 11504 1 1603 . 1 1 135 135 PRO HB3 H 1 2.173 0.04 . 2 . . . A 3630 PRO HB3 . 11504 1 1604 . 1 1 135 135 PRO CA C 13 61.341 0.40 . 1 . . . A 3630 PRO CA . 11504 1 1605 . 1 1 135 135 PRO CB C 13 31.002 0.40 . 1 . . . A 3630 PRO CB . 11504 1 1606 . 1 1 136 136 PRO HA H 1 4.539 0.04 . 1 . . . A 3631 PRO HA . 11504 1 1607 . 1 1 136 136 PRO HB2 H 1 2.200 0.04 . 2 . . . A 3631 PRO HB2 . 11504 1 1608 . 1 1 136 136 PRO HB3 H 1 1.688 0.04 . 2 . . . A 3631 PRO HB3 . 11504 1 1609 . 1 1 136 136 PRO HG2 H 1 0.784 0.04 . 2 . . . A 3631 PRO HG2 . 11504 1 1610 . 1 1 136 136 PRO HG3 H 1 1.925 0.04 . 2 . . . A 3631 PRO HG3 . 11504 1 1611 . 1 1 136 136 PRO HD2 H 1 3.937 0.04 . 2 . . . A 3631 PRO HD2 . 11504 1 1612 . 1 1 136 136 PRO HD3 H 1 3.303 0.04 . 2 . . . A 3631 PRO HD3 . 11504 1 1613 . 1 1 136 136 PRO C C 13 177.091 0.40 . 1 . . . A 3631 PRO C . 11504 1 1614 . 1 1 136 136 PRO CA C 13 63.935 0.40 . 1 . . . A 3631 PRO CA . 11504 1 1615 . 1 1 136 136 PRO CB C 13 30.905 0.40 . 1 . . . A 3631 PRO CB . 11504 1 1616 . 1 1 136 136 PRO CG C 13 28.002 0.40 . 1 . . . A 3631 PRO CG . 11504 1 1617 . 1 1 136 136 PRO CD C 13 50.757 0.40 . 1 . . . A 3631 PRO CD . 11504 1 1618 . 1 1 137 137 CYS H H 1 8.867 0.04 . 1 . . . A 3632 CYS H . 11504 1 1619 . 1 1 137 137 CYS HA H 1 4.907 0.04 . 1 . . . A 3632 CYS HA . 11504 1 1620 . 1 1 137 137 CYS HB2 H 1 3.138 0.04 . 1 . . . A 3632 CYS HB2 . 11504 1 1621 . 1 1 137 137 CYS HB3 H 1 3.590 0.04 . 1 . . . A 3632 CYS HB3 . 11504 1 1622 . 1 1 137 137 CYS C C 13 173.503 0.40 . 1 . . . A 3632 CYS C . 11504 1 1623 . 1 1 137 137 CYS CA C 13 56.396 0.40 . 1 . . . A 3632 CYS CA . 11504 1 1624 . 1 1 137 137 CYS CB C 13 29.725 0.40 . 1 . . . A 3632 CYS CB . 11504 1 1625 . 1 1 137 137 CYS N N 15 122.241 0.40 . 1 . . . A 3632 CYS N . 11504 1 1626 . 1 1 138 138 GLU H H 1 9.046 0.04 . 1 . . . A 3633 GLU H . 11504 1 1627 . 1 1 138 138 GLU HA H 1 4.024 0.04 . 1 . . . A 3633 GLU HA . 11504 1 1628 . 1 1 138 138 GLU HB2 H 1 2.103 0.04 . 2 . . . A 3633 GLU HB2 . 11504 1 1629 . 1 1 138 138 GLU HB3 H 1 2.128 0.04 . 2 . . . A 3633 GLU HB3 . 11504 1 1630 . 1 1 138 138 GLU HG2 H 1 2.333 0.04 . 2 . . . A 3633 GLU HG2 . 11504 1 1631 . 1 1 138 138 GLU HG3 H 1 2.269 0.04 . 2 . . . A 3633 GLU HG3 . 11504 1 1632 . 1 1 138 138 GLU C C 13 178.788 0.40 . 1 . . . A 3633 GLU C . 11504 1 1633 . 1 1 138 138 GLU CA C 13 60.580 0.40 . 1 . . . A 3633 GLU CA . 11504 1 1634 . 1 1 138 138 GLU CB C 13 29.046 0.40 . 1 . . . A 3633 GLU CB . 11504 1 1635 . 1 1 138 138 GLU CG C 13 36.496 0.40 . 1 . . . A 3633 GLU CG . 11504 1 1636 . 1 1 138 138 GLU N N 15 123.904 0.40 . 1 . . . A 3633 GLU N . 11504 1 1637 . 1 1 139 139 PHE H H 1 8.627 0.04 . 1 . . . A 3634 PHE H . 11504 1 1638 . 1 1 139 139 PHE HA H 1 4.195 0.04 . 1 . . . A 3634 PHE HA . 11504 1 1639 . 1 1 139 139 PHE HB2 H 1 3.304 0.04 . 1 . . . A 3634 PHE HB2 . 11504 1 1640 . 1 1 139 139 PHE HB3 H 1 2.836 0.04 . 1 . . . A 3634 PHE HB3 . 11504 1 1641 . 1 1 139 139 PHE HD1 H 1 6.585 0.04 . 3 . . . A 3634 PHE HD1 . 11504 1 1642 . 1 1 139 139 PHE C C 13 177.483 0.40 . 1 . . . A 3634 PHE C . 11504 1 1643 . 1 1 139 139 PHE CA C 13 62.024 0.40 . 1 . . . A 3634 PHE CA . 11504 1 1644 . 1 1 139 139 PHE CB C 13 40.116 0.40 . 1 . . . A 3634 PHE CB . 11504 1 1645 . 1 1 139 139 PHE CD1 C 13 132.141 0.40 . 3 . . . A 3634 PHE CD1 . 11504 1 1646 . 1 1 139 139 PHE N N 15 121.354 0.40 . 1 . . . A 3634 PHE N . 11504 1 1647 . 1 1 140 140 SER H H 1 7.995 0.04 . 1 . . . A 3635 SER H . 11504 1 1648 . 1 1 140 140 SER HA H 1 3.956 0.04 . 1 . . . A 3635 SER HA . 11504 1 1649 . 1 1 140 140 SER C C 13 175.834 0.40 . 1 . . . A 3635 SER C . 11504 1 1650 . 1 1 140 140 SER CA C 13 60.910 0.40 . 1 . . . A 3635 SER CA . 11504 1 1651 . 1 1 140 140 SER CB C 13 62.753 0.40 . 1 . . . A 3635 SER CB . 11504 1 1652 . 1 1 140 140 SER N N 15 118.790 0.40 . 1 . . . A 3635 SER N . 11504 1 1653 . 1 1 141 141 GLU H H 1 8.577 0.04 . 1 . . . A 3636 GLU H . 11504 1 1654 . 1 1 141 141 GLU HA H 1 3.820 0.04 . 1 . . . A 3636 GLU HA . 11504 1 1655 . 1 1 141 141 GLU HB2 H 1 2.031 0.04 . 2 . . . A 3636 GLU HB2 . 11504 1 1656 . 1 1 141 141 GLU HB3 H 1 2.062 0.04 . 2 . . . A 3636 GLU HB3 . 11504 1 1657 . 1 1 141 141 GLU HG2 H 1 2.273 0.04 . 2 . . . A 3636 GLU HG2 . 11504 1 1658 . 1 1 141 141 GLU HG3 H 1 2.173 0.04 . 2 . . . A 3636 GLU HG3 . 11504 1 1659 . 1 1 141 141 GLU C C 13 179.233 0.40 . 1 . . . A 3636 GLU C . 11504 1 1660 . 1 1 141 141 GLU CA C 13 59.949 0.40 . 1 . . . A 3636 GLU CA . 11504 1 1661 . 1 1 141 141 GLU CB C 13 29.147 0.40 . 1 . . . A 3636 GLU CB . 11504 1 1662 . 1 1 141 141 GLU CG C 13 36.477 0.40 . 1 . . . A 3636 GLU CG . 11504 1 1663 . 1 1 141 141 GLU N N 15 126.052 0.40 . 1 . . . A 3636 GLU N . 11504 1 1664 . 1 1 142 142 SER H H 1 8.190 0.04 . 1 . . . A 3637 SER H . 11504 1 1665 . 1 1 142 142 SER HA H 1 3.931 0.04 . 1 . . . A 3637 SER HA . 11504 1 1666 . 1 1 142 142 SER C C 13 177.185 0.40 . 1 . . . A 3637 SER C . 11504 1 1667 . 1 1 142 142 SER CA C 13 61.304 0.40 . 1 . . . A 3637 SER CA . 11504 1 1668 . 1 1 142 142 SER CB C 13 62.687 0.40 . 1 . . . A 3637 SER CB . 11504 1 1669 . 1 1 142 142 SER N N 15 115.849 0.40 . 1 . . . A 3637 SER N . 11504 1 1670 . 1 1 143 143 HIS H H 1 7.126 0.04 . 1 . . . A 3638 HIS H . 11504 1 1671 . 1 1 143 143 HIS HA H 1 4.115 0.04 . 1 . . . A 3638 HIS HA . 11504 1 1672 . 1 1 143 143 HIS HB2 H 1 2.487 0.04 . 2 . . . A 3638 HIS HB2 . 11504 1 1673 . 1 1 143 143 HIS HB3 H 1 2.244 0.04 . 2 . . . A 3638 HIS HB3 . 11504 1 1674 . 1 1 143 143 HIS C C 13 177.847 0.40 . 1 . . . A 3638 HIS C . 11504 1 1675 . 1 1 143 143 HIS CA C 13 60.927 0.40 . 1 . . . A 3638 HIS CA . 11504 1 1676 . 1 1 143 143 HIS CB C 13 30.718 0.40 . 1 . . . A 3638 HIS CB . 11504 1 1677 . 1 1 143 143 HIS N N 15 120.595 0.40 . 1 . . . A 3638 HIS N . 11504 1 1678 . 1 1 144 144 LEU H H 1 8.788 0.04 . 1 . . . A 3639 LEU H . 11504 1 1679 . 1 1 144 144 LEU HA H 1 3.855 0.04 . 1 . . . A 3639 LEU HA . 11504 1 1680 . 1 1 144 144 LEU HB2 H 1 1.921 0.04 . 1 . . . A 3639 LEU HB2 . 11504 1 1681 . 1 1 144 144 LEU HB3 H 1 1.035 0.04 . 1 . . . A 3639 LEU HB3 . 11504 1 1682 . 1 1 144 144 LEU HG H 1 1.893 0.04 . 1 . . . A 3639 LEU HG . 11504 1 1683 . 1 1 144 144 LEU HD11 H 1 0.688 0.04 . 1 . . . A 3639 LEU HD11 . 11504 1 1684 . 1 1 144 144 LEU HD12 H 1 0.688 0.04 . 1 . . . A 3639 LEU HD12 . 11504 1 1685 . 1 1 144 144 LEU HD13 H 1 0.688 0.04 . 1 . . . A 3639 LEU HD13 . 11504 1 1686 . 1 1 144 144 LEU HD21 H 1 0.586 0.04 . 1 . . . A 3639 LEU HD21 . 11504 1 1687 . 1 1 144 144 LEU HD22 H 1 0.586 0.04 . 1 . . . A 3639 LEU HD22 . 11504 1 1688 . 1 1 144 144 LEU HD23 H 1 0.586 0.04 . 1 . . . A 3639 LEU HD23 . 11504 1 1689 . 1 1 144 144 LEU C C 13 178.575 0.40 . 1 . . . A 3639 LEU C . 11504 1 1690 . 1 1 144 144 LEU CA C 13 58.324 0.40 . 1 . . . A 3639 LEU CA . 11504 1 1691 . 1 1 144 144 LEU CB C 13 41.875 0.40 . 1 . . . A 3639 LEU CB . 11504 1 1692 . 1 1 144 144 LEU CG C 13 27.113 0.40 . 1 . . . A 3639 LEU CG . 11504 1 1693 . 1 1 144 144 LEU CD1 C 13 25.931 0.40 . 1 . . . A 3639 LEU CD1 . 11504 1 1694 . 1 1 144 144 LEU CD2 C 13 23.058 0.40 . 1 . . . A 3639 LEU CD2 . 11504 1 1695 . 1 1 144 144 LEU N N 15 121.098 0.40 . 1 . . . A 3639 LEU N . 11504 1 1696 . 1 1 145 145 SER H H 1 8.145 0.04 . 1 . . . A 3640 SER H . 11504 1 1697 . 1 1 145 145 SER HA H 1 3.794 0.04 . 1 . . . A 3640 SER HA . 11504 1 1698 . 1 1 145 145 SER C C 13 174.769 0.40 . 1 . . . A 3640 SER C . 11504 1 1699 . 1 1 145 145 SER CA C 13 61.764 0.40 . 1 . . . A 3640 SER CA . 11504 1 1700 . 1 1 145 145 SER CB C 13 62.635 0.40 . 1 . . . A 3640 SER CB . 11504 1 1701 . 1 1 145 145 SER N N 15 115.007 0.40 . 1 . . . A 3640 SER N . 11504 1 1702 . 1 1 146 146 ARG H H 1 6.881 0.04 . 1 . . . A 3641 ARG H . 11504 1 1703 . 1 1 146 146 ARG HA H 1 4.122 0.04 . 1 . . . A 3641 ARG HA . 11504 1 1704 . 1 1 146 146 ARG HB2 H 1 1.749 0.04 . 2 . . . A 3641 ARG HB2 . 11504 1 1705 . 1 1 146 146 ARG HB3 H 1 1.876 0.04 . 2 . . . A 3641 ARG HB3 . 11504 1 1706 . 1 1 146 146 ARG HD2 H 1 3.258 0.04 . 2 . . . A 3641 ARG HD2 . 11504 1 1707 . 1 1 146 146 ARG HD3 H 1 2.992 0.04 . 2 . . . A 3641 ARG HD3 . 11504 1 1708 . 1 1 146 146 ARG HE H 1 6.941 0.04 . 1 . . . A 3641 ARG HE . 11504 1 1709 . 1 1 146 146 ARG C C 13 177.975 0.40 . 1 . . . A 3641 ARG C . 11504 1 1710 . 1 1 146 146 ARG CA C 13 58.170 0.40 . 1 . . . A 3641 ARG CA . 11504 1 1711 . 1 1 146 146 ARG CB C 13 31.528 0.40 . 1 . . . A 3641 ARG CB . 11504 1 1712 . 1 1 146 146 ARG CG C 13 27.595 0.40 . 1 . . . A 3641 ARG CG . 11504 1 1713 . 1 1 146 146 ARG CD C 13 43.164 0.40 . 1 . . . A 3641 ARG CD . 11504 1 1714 . 1 1 146 146 ARG N N 15 120.415 0.40 . 1 . . . A 3641 ARG N . 11504 1 1715 . 1 1 146 146 ARG NE N 15 83.835 0.40 . 1 . . . A 3641 ARG NE . 11504 1 1716 . 1 1 147 147 LEU H H 1 7.898 0.04 . 1 . . . A 3642 LEU H . 11504 1 1717 . 1 1 147 147 LEU HA H 1 4.303 0.04 . 1 . . . A 3642 LEU HA . 11504 1 1718 . 1 1 147 147 LEU HB2 H 1 1.525 0.04 . 1 . . . A 3642 LEU HB2 . 11504 1 1719 . 1 1 147 147 LEU HB3 H 1 1.356 0.04 . 1 . . . A 3642 LEU HB3 . 11504 1 1720 . 1 1 147 147 LEU HG H 1 1.648 0.04 . 1 . . . A 3642 LEU HG . 11504 1 1721 . 1 1 147 147 LEU HD11 H 1 0.822 0.04 . 1 . . . A 3642 LEU HD11 . 11504 1 1722 . 1 1 147 147 LEU HD12 H 1 0.822 0.04 . 1 . . . A 3642 LEU HD12 . 11504 1 1723 . 1 1 147 147 LEU HD13 H 1 0.822 0.04 . 1 . . . A 3642 LEU HD13 . 11504 1 1724 . 1 1 147 147 LEU HD21 H 1 0.945 0.04 . 1 . . . A 3642 LEU HD21 . 11504 1 1725 . 1 1 147 147 LEU HD22 H 1 0.945 0.04 . 1 . . . A 3642 LEU HD22 . 11504 1 1726 . 1 1 147 147 LEU HD23 H 1 0.945 0.04 . 1 . . . A 3642 LEU HD23 . 11504 1 1727 . 1 1 147 147 LEU C C 13 177.144 0.40 . 1 . . . A 3642 LEU C . 11504 1 1728 . 1 1 147 147 LEU CA C 13 56.011 0.40 . 1 . . . A 3642 LEU CA . 11504 1 1729 . 1 1 147 147 LEU CB C 13 44.430 0.40 . 1 . . . A 3642 LEU CB . 11504 1 1730 . 1 1 147 147 LEU CG C 13 27.480 0.40 . 1 . . . A 3642 LEU CG . 11504 1 1731 . 1 1 147 147 LEU CD1 C 13 26.100 0.40 . 1 . . . A 3642 LEU CD1 . 11504 1 1732 . 1 1 147 147 LEU CD2 C 13 22.334 0.40 . 1 . . . A 3642 LEU CD2 . 11504 1 1733 . 1 1 147 147 LEU N N 15 118.428 0.40 . 1 . . . A 3642 LEU N . 11504 1 1734 . 1 1 148 148 ALA H H 1 8.572 0.04 . 1 . . . A 3643 ALA H . 11504 1 1735 . 1 1 148 148 ALA HA H 1 4.934 0.04 . 1 . . . A 3643 ALA HA . 11504 1 1736 . 1 1 148 148 ALA HB1 H 1 1.024 0.04 . 1 . . . A 3643 ALA HB1 . 11504 1 1737 . 1 1 148 148 ALA HB2 H 1 1.024 0.04 . 1 . . . A 3643 ALA HB2 . 11504 1 1738 . 1 1 148 148 ALA HB3 H 1 1.024 0.04 . 1 . . . A 3643 ALA HB3 . 11504 1 1739 . 1 1 148 148 ALA C C 13 173.251 0.40 . 1 . . . A 3643 ALA C . 11504 1 1740 . 1 1 148 148 ALA CA C 13 50.854 0.40 . 1 . . . A 3643 ALA CA . 11504 1 1741 . 1 1 148 148 ALA CB C 13 20.298 0.40 . 1 . . . A 3643 ALA CB . 11504 1 1742 . 1 1 148 148 ALA N N 15 123.987 0.40 . 1 . . . A 3643 ALA N . 11504 1 1743 . 1 1 149 149 PRO HA H 1 4.100 0.04 . 1 . . . A 3644 PRO HA . 11504 1 1744 . 1 1 149 149 PRO HB2 H 1 1.941 0.04 . 2 . . . A 3644 PRO HB2 . 11504 1 1745 . 1 1 149 149 PRO HB3 H 1 2.595 0.04 . 2 . . . A 3644 PRO HB3 . 11504 1 1746 . 1 1 149 149 PRO HG2 H 1 2.069 0.04 . 2 . . . A 3644 PRO HG2 . 11504 1 1747 . 1 1 149 149 PRO HG3 H 1 2.101 0.04 . 2 . . . A 3644 PRO HG3 . 11504 1 1748 . 1 1 149 149 PRO HD2 H 1 3.595 0.04 . 2 . . . A 3644 PRO HD2 . 11504 1 1749 . 1 1 149 149 PRO HD3 H 1 3.331 0.04 . 2 . . . A 3644 PRO HD3 . 11504 1 1750 . 1 1 149 149 PRO C C 13 179.163 0.40 . 1 . . . A 3644 PRO C . 11504 1 1751 . 1 1 149 149 PRO CA C 13 65.598 0.40 . 1 . . . A 3644 PRO CA . 11504 1 1752 . 1 1 149 149 PRO CB C 13 30.772 0.40 . 1 . . . A 3644 PRO CB . 11504 1 1753 . 1 1 149 149 PRO CG C 13 27.514 0.40 . 1 . . . A 3644 PRO CG . 11504 1 1754 . 1 1 149 149 PRO CD C 13 50.113 0.40 . 1 . . . A 3644 PRO CD . 11504 1 1755 . 1 1 150 150 ASP H H 1 8.834 0.04 . 1 . . . A 3645 ASP H . 11504 1 1756 . 1 1 150 150 ASP HA H 1 4.288 0.04 . 1 . . . A 3645 ASP HA . 11504 1 1757 . 1 1 150 150 ASP HB2 H 1 2.803 0.04 . 2 . . . A 3645 ASP HB2 . 11504 1 1758 . 1 1 150 150 ASP HB3 H 1 2.598 0.04 . 2 . . . A 3645 ASP HB3 . 11504 1 1759 . 1 1 150 150 ASP C C 13 177.847 0.40 . 1 . . . A 3645 ASP C . 11504 1 1760 . 1 1 150 150 ASP CA C 13 55.473 0.40 . 1 . . . A 3645 ASP CA . 11504 1 1761 . 1 1 150 150 ASP CB C 13 38.210 0.40 . 1 . . . A 3645 ASP CB . 11504 1 1762 . 1 1 150 150 ASP N N 15 118.667 0.40 . 1 . . . A 3645 ASP N . 11504 1 1763 . 1 1 151 151 LEU H H 1 7.371 0.04 . 1 . . . A 3646 LEU H . 11504 1 1764 . 1 1 151 151 LEU HA H 1 3.888 0.04 . 1 . . . A 3646 LEU HA . 11504 1 1765 . 1 1 151 151 LEU HB2 H 1 1.562 0.04 . 1 . . . A 3646 LEU HB2 . 11504 1 1766 . 1 1 151 151 LEU HB3 H 1 0.940 0.04 . 1 . . . A 3646 LEU HB3 . 11504 1 1767 . 1 1 151 151 LEU HG H 1 0.972 0.04 . 1 . . . A 3646 LEU HG . 11504 1 1768 . 1 1 151 151 LEU HD11 H 1 0.304 0.04 . 1 . . . A 3646 LEU HD11 . 11504 1 1769 . 1 1 151 151 LEU HD12 H 1 0.304 0.04 . 1 . . . A 3646 LEU HD12 . 11504 1 1770 . 1 1 151 151 LEU HD13 H 1 0.304 0.04 . 1 . . . A 3646 LEU HD13 . 11504 1 1771 . 1 1 151 151 LEU HD21 H 1 0.100 0.04 . 1 . . . A 3646 LEU HD21 . 11504 1 1772 . 1 1 151 151 LEU HD22 H 1 0.100 0.04 . 1 . . . A 3646 LEU HD22 . 11504 1 1773 . 1 1 151 151 LEU HD23 H 1 0.100 0.04 . 1 . . . A 3646 LEU HD23 . 11504 1 1774 . 1 1 151 151 LEU C C 13 178.543 0.40 . 1 . . . A 3646 LEU C . 11504 1 1775 . 1 1 151 151 LEU CA C 13 57.123 0.40 . 1 . . . A 3646 LEU CA . 11504 1 1776 . 1 1 151 151 LEU CB C 13 41.517 0.40 . 1 . . . A 3646 LEU CB . 11504 1 1777 . 1 1 151 151 LEU CG C 13 26.354 0.40 . 1 . . . A 3646 LEU CG . 11504 1 1778 . 1 1 151 151 LEU CD1 C 13 22.226 0.40 . 1 . . . A 3646 LEU CD1 . 11504 1 1779 . 1 1 151 151 LEU CD2 C 13 25.320 0.40 . 1 . . . A 3646 LEU CD2 . 11504 1 1780 . 1 1 151 151 LEU N N 15 126.229 0.40 . 1 . . . A 3646 LEU N . 11504 1 1781 . 1 1 152 152 LEU H H 1 7.951 0.04 . 1 . . . A 3647 LEU H . 11504 1 1782 . 1 1 152 152 LEU HA H 1 3.718 0.04 . 1 . . . A 3647 LEU HA . 11504 1 1783 . 1 1 152 152 LEU HB2 H 1 1.637 0.04 . 2 . . . A 3647 LEU HB2 . 11504 1 1784 . 1 1 152 152 LEU HB3 H 1 1.156 0.04 . 2 . . . A 3647 LEU HB3 . 11504 1 1785 . 1 1 152 152 LEU HD11 H 1 0.705 0.04 . 1 . . . A 3647 LEU HD11 . 11504 1 1786 . 1 1 152 152 LEU HD12 H 1 0.705 0.04 . 1 . . . A 3647 LEU HD12 . 11504 1 1787 . 1 1 152 152 LEU HD13 H 1 0.705 0.04 . 1 . . . A 3647 LEU HD13 . 11504 1 1788 . 1 1 152 152 LEU C C 13 178.521 0.40 . 1 . . . A 3647 LEU C . 11504 1 1789 . 1 1 152 152 LEU CA C 13 57.473 0.40 . 1 . . . A 3647 LEU CA . 11504 1 1790 . 1 1 152 152 LEU CB C 13 41.356 0.40 . 1 . . . A 3647 LEU CB . 11504 1 1791 . 1 1 152 152 LEU CG C 13 26.659 0.40 . 1 . . . A 3647 LEU CG . 11504 1 1792 . 1 1 152 152 LEU CD1 C 13 23.052 0.40 . 1 . . . A 3647 LEU CD1 . 11504 1 1793 . 1 1 152 152 LEU CD2 C 13 22.876 0.40 . 1 . . . A 3647 LEU CD2 . 11504 1 1794 . 1 1 152 152 LEU N N 15 120.358 0.40 . 1 . . . A 3647 LEU N . 11504 1 1795 . 1 1 153 153 ALA H H 1 7.828 0.04 . 1 . . . A 3648 ALA H . 11504 1 1796 . 1 1 153 153 ALA HA H 1 4.040 0.04 . 1 . . . A 3648 ALA HA . 11504 1 1797 . 1 1 153 153 ALA HB1 H 1 1.405 0.04 . 1 . . . A 3648 ALA HB1 . 11504 1 1798 . 1 1 153 153 ALA HB2 H 1 1.405 0.04 . 1 . . . A 3648 ALA HB2 . 11504 1 1799 . 1 1 153 153 ALA HB3 H 1 1.405 0.04 . 1 . . . A 3648 ALA HB3 . 11504 1 1800 . 1 1 153 153 ALA C C 13 179.478 0.40 . 1 . . . A 3648 ALA C . 11504 1 1801 . 1 1 153 153 ALA CA C 13 54.533 0.40 . 1 . . . A 3648 ALA CA . 11504 1 1802 . 1 1 153 153 ALA CB C 13 18.018 0.40 . 1 . . . A 3648 ALA CB . 11504 1 1803 . 1 1 153 153 ALA N N 15 120.709 0.40 . 1 . . . A 3648 ALA N . 11504 1 1804 . 1 1 154 154 SER H H 1 7.346 0.04 . 1 . . . A 3649 SER H . 11504 1 1805 . 1 1 154 154 SER HA H 1 4.272 0.04 . 1 . . . A 3649 SER HA . 11504 1 1806 . 1 1 154 154 SER C C 13 174.737 0.40 . 1 . . . A 3649 SER C . 11504 1 1807 . 1 1 154 154 SER CA C 13 60.853 0.40 . 1 . . . A 3649 SER CA . 11504 1 1808 . 1 1 154 154 SER CB C 13 64.061 0.40 . 1 . . . A 3649 SER CB . 11504 1 1809 . 1 1 154 154 SER N N 15 113.490 0.40 . 1 . . . A 3649 SER N . 11504 1 1810 . 1 1 155 155 ILE H H 1 7.346 0.04 . 1 . . . A 3650 ILE H . 11504 1 1811 . 1 1 155 155 ILE HA H 1 4.340 0.04 . 1 . . . A 3650 ILE HA . 11504 1 1812 . 1 1 155 155 ILE HB H 1 1.844 0.04 . 1 . . . A 3650 ILE HB . 11504 1 1813 . 1 1 155 155 ILE HG12 H 1 1.199 0.04 . 2 . . . A 3650 ILE HG12 . 11504 1 1814 . 1 1 155 155 ILE HG13 H 1 1.156 0.04 . 2 . . . A 3650 ILE HG13 . 11504 1 1815 . 1 1 155 155 ILE HG21 H 1 0.649 0.04 . 1 . . . A 3650 ILE HG21 . 11504 1 1816 . 1 1 155 155 ILE HG22 H 1 0.649 0.04 . 1 . . . A 3650 ILE HG22 . 11504 1 1817 . 1 1 155 155 ILE HG23 H 1 0.649 0.04 . 1 . . . A 3650 ILE HG23 . 11504 1 1818 . 1 1 155 155 ILE HD11 H 1 0.192 0.04 . 1 . . . A 3650 ILE HD11 . 11504 1 1819 . 1 1 155 155 ILE HD12 H 1 0.192 0.04 . 1 . . . A 3650 ILE HD12 . 11504 1 1820 . 1 1 155 155 ILE HD13 H 1 0.192 0.04 . 1 . . . A 3650 ILE HD13 . 11504 1 1821 . 1 1 155 155 ILE C C 13 176.935 0.40 . 1 . . . A 3650 ILE C . 11504 1 1822 . 1 1 155 155 ILE CA C 13 61.564 0.40 . 1 . . . A 3650 ILE CA . 11504 1 1823 . 1 1 155 155 ILE CB C 13 39.130 0.40 . 1 . . . A 3650 ILE CB . 11504 1 1824 . 1 1 155 155 ILE CG1 C 13 25.854 0.40 . 1 . . . A 3650 ILE CG1 . 11504 1 1825 . 1 1 155 155 ILE CG2 C 13 17.315 0.40 . 1 . . . A 3650 ILE CG2 . 11504 1 1826 . 1 1 155 155 ILE CD1 C 13 13.453 0.40 . 1 . . . A 3650 ILE CD1 . 11504 1 1827 . 1 1 155 155 ILE N N 15 115.583 0.40 . 1 . . . A 3650 ILE N . 11504 1 1828 . 1 1 156 156 SER H H 1 8.001 0.04 . 1 . . . A 3651 SER H . 11504 1 1829 . 1 1 156 156 SER HA H 1 4.125 0.04 . 1 . . . A 3651 SER HA . 11504 1 1830 . 1 1 156 156 SER C C 13 175.270 0.40 . 1 . . . A 3651 SER C . 11504 1 1831 . 1 1 156 156 SER CA C 13 60.261 0.40 . 1 . . . A 3651 SER CA . 11504 1 1832 . 1 1 156 156 SER CB C 13 63.041 0.40 . 1 . . . A 3651 SER CB . 11504 1 1833 . 1 1 156 156 SER N N 15 119.372 0.40 . 1 . . . A 3651 SER N . 11504 1 1834 . 1 1 157 157 ASN H H 1 8.768 0.04 . 1 . . . A 3652 ASN H . 11504 1 1835 . 1 1 157 157 ASN HA H 1 4.456 0.04 . 1 . . . A 3652 ASN HA . 11504 1 1836 . 1 1 157 157 ASN HB2 H 1 2.855 0.04 . 2 . . . A 3652 ASN HB2 . 11504 1 1837 . 1 1 157 157 ASN HB3 H 1 2.931 0.04 . 2 . . . A 3652 ASN HB3 . 11504 1 1838 . 1 1 157 157 ASN C C 13 175.043 0.40 . 1 . . . A 3652 ASN C . 11504 1 1839 . 1 1 157 157 ASN CA C 13 54.885 0.40 . 1 . . . A 3652 ASN CA . 11504 1 1840 . 1 1 157 157 ASN CB C 13 38.181 0.40 . 1 . . . A 3652 ASN CB . 11504 1 1841 . 1 1 157 157 ASN N N 15 121.043 0.40 . 1 . . . A 3652 ASN N . 11504 1 1842 . 1 1 158 158 ILE H H 1 7.809 0.04 . 1 . . . A 3653 ILE H . 11504 1 1843 . 1 1 158 158 ILE HA H 1 4.290 0.04 . 1 . . . A 3653 ILE HA . 11504 1 1844 . 1 1 158 158 ILE HB H 1 1.789 0.04 . 1 . . . A 3653 ILE HB . 11504 1 1845 . 1 1 158 158 ILE HG21 H 1 0.880 0.04 . 1 . . . A 3653 ILE HG21 . 11504 1 1846 . 1 1 158 158 ILE HG22 H 1 0.880 0.04 . 1 . . . A 3653 ILE HG22 . 11504 1 1847 . 1 1 158 158 ILE HG23 H 1 0.880 0.04 . 1 . . . A 3653 ILE HG23 . 11504 1 1848 . 1 1 158 158 ILE HD11 H 1 0.788 0.04 . 1 . . . A 3653 ILE HD11 . 11504 1 1849 . 1 1 158 158 ILE HD12 H 1 0.788 0.04 . 1 . . . A 3653 ILE HD12 . 11504 1 1850 . 1 1 158 158 ILE HD13 H 1 0.788 0.04 . 1 . . . A 3653 ILE HD13 . 11504 1 1851 . 1 1 158 158 ILE C C 13 176.036 0.40 . 1 . . . A 3653 ILE C . 11504 1 1852 . 1 1 158 158 ILE CA C 13 61.880 0.40 . 1 . . . A 3653 ILE CA . 11504 1 1853 . 1 1 158 158 ILE CB C 13 39.936 0.40 . 1 . . . A 3653 ILE CB . 11504 1 1854 . 1 1 158 158 ILE CG1 C 13 26.951 0.40 . 1 . . . A 3653 ILE CG1 . 11504 1 1855 . 1 1 158 158 ILE CG2 C 13 17.684 0.40 . 1 . . . A 3653 ILE CG2 . 11504 1 1856 . 1 1 158 158 ILE CD1 C 13 13.231 0.40 . 1 . . . A 3653 ILE CD1 . 11504 1 1857 . 1 1 158 158 ILE N N 15 117.502 0.40 . 1 . . . A 3653 ILE N . 11504 1 1858 . 1 1 159 159 SER H H 1 7.995 0.04 . 1 . . . A 3654 SER H . 11504 1 1859 . 1 1 159 159 SER HA H 1 4.125 0.04 . 1 . . . A 3654 SER HA . 11504 1 1860 . 1 1 159 159 SER C C 13 172.542 0.40 . 1 . . . A 3654 SER C . 11504 1 1861 . 1 1 159 159 SER CA C 13 61.773 0.40 . 1 . . . A 3654 SER CA . 11504 1 1862 . 1 1 159 159 SER CB C 13 64.858 0.40 . 1 . . . A 3654 SER CB . 11504 1 1863 . 1 1 159 159 SER N N 15 118.589 0.40 . 1 . . . A 3654 SER N . 11504 1 1864 . 1 1 160 160 PRO HA H 1 4.444 0.04 . 1 . . . A 3655 PRO HA . 11504 1 1865 . 1 1 160 160 PRO HB2 H 1 2.147 0.04 . 2 . . . A 3655 PRO HB2 . 11504 1 1866 . 1 1 160 160 PRO HB3 H 1 1.752 0.04 . 2 . . . A 3655 PRO HB3 . 11504 1 1867 . 1 1 160 160 PRO HG2 H 1 2.044 0.04 . 2 . . . A 3655 PRO HG2 . 11504 1 1868 . 1 1 160 160 PRO HD2 H 1 3.925 0.04 . 2 . . . A 3655 PRO HD2 . 11504 1 1869 . 1 1 160 160 PRO HD3 H 1 3.846 0.04 . 2 . . . A 3655 PRO HD3 . 11504 1 1870 . 1 1 160 160 PRO CA C 13 63.517 0.40 . 1 . . . A 3655 PRO CA . 11504 1 1871 . 1 1 160 160 PRO CB C 13 32.272 0.40 . 1 . . . A 3655 PRO CB . 11504 1 1872 . 1 1 160 160 PRO CG C 13 27.715 0.40 . 1 . . . A 3655 PRO CG . 11504 1 1873 . 1 1 160 160 PRO CD C 13 50.766 0.40 . 1 . . . A 3655 PRO CD . 11504 1 1874 . 1 1 161 161 HIS H H 1 6.671 0.04 . 1 . . . A 3656 HIS H . 11504 1 1875 . 1 1 161 161 HIS HA H 1 5.258 0.04 . 1 . . . A 3656 HIS HA . 11504 1 1876 . 1 1 161 161 HIS HB2 H 1 3.054 0.04 . 2 . . . A 3656 HIS HB2 . 11504 1 1877 . 1 1 161 161 HIS HB3 H 1 3.030 0.04 . 2 . . . A 3656 HIS HB3 . 11504 1 1878 . 1 1 161 161 HIS C C 13 171.827 0.40 . 1 . . . A 3656 HIS C . 11504 1 1879 . 1 1 161 161 HIS CA C 13 55.074 0.40 . 1 . . . A 3656 HIS CA . 11504 1 1880 . 1 1 161 161 HIS CB C 13 31.589 0.40 . 1 . . . A 3656 HIS CB . 11504 1 1881 . 1 1 161 161 HIS N N 15 116.445 0.40 . 1 . . . A 3656 HIS N . 11504 1 1882 . 1 1 162 162 LEU H H 1 8.052 0.04 . 1 . . . A 3657 LEU H . 11504 1 1883 . 1 1 162 162 LEU HA H 1 4.988 0.04 . 1 . . . A 3657 LEU HA . 11504 1 1884 . 1 1 162 162 LEU HB2 H 1 1.361 0.04 . 2 . . . A 3657 LEU HB2 . 11504 1 1885 . 1 1 162 162 LEU HB3 H 1 1.383 0.04 . 2 . . . A 3657 LEU HB3 . 11504 1 1886 . 1 1 162 162 LEU HG H 1 1.465 0.04 . 1 . . . A 3657 LEU HG . 11504 1 1887 . 1 1 162 162 LEU HD11 H 1 0.471 0.04 . 1 . . . A 3657 LEU HD11 . 11504 1 1888 . 1 1 162 162 LEU HD12 H 1 0.471 0.04 . 1 . . . A 3657 LEU HD12 . 11504 1 1889 . 1 1 162 162 LEU HD13 H 1 0.471 0.04 . 1 . . . A 3657 LEU HD13 . 11504 1 1890 . 1 1 162 162 LEU HD21 H 1 0.816 0.04 . 1 . . . A 3657 LEU HD21 . 11504 1 1891 . 1 1 162 162 LEU HD22 H 1 0.816 0.04 . 1 . . . A 3657 LEU HD22 . 11504 1 1892 . 1 1 162 162 LEU HD23 H 1 0.816 0.04 . 1 . . . A 3657 LEU HD23 . 11504 1 1893 . 1 1 162 162 LEU C C 13 175.458 0.40 . 1 . . . A 3657 LEU C . 11504 1 1894 . 1 1 162 162 LEU CA C 13 53.035 0.40 . 1 . . . A 3657 LEU CA . 11504 1 1895 . 1 1 162 162 LEU CB C 13 45.578 0.40 . 1 . . . A 3657 LEU CB . 11504 1 1896 . 1 1 162 162 LEU CG C 13 26.283 0.40 . 1 . . . A 3657 LEU CG . 11504 1 1897 . 1 1 162 162 LEU CD1 C 13 26.077 0.40 . 1 . . . A 3657 LEU CD1 . 11504 1 1898 . 1 1 162 162 LEU CD2 C 13 23.910 0.40 . 1 . . . A 3657 LEU CD2 . 11504 1 1899 . 1 1 162 162 LEU N N 15 112.957 0.40 . 1 . . . A 3657 LEU N . 11504 1 1900 . 1 1 163 163 MET H H 1 9.146 0.04 . 1 . . . A 3658 MET H . 11504 1 1901 . 1 1 163 163 MET HA H 1 5.134 0.04 . 1 . . . A 3658 MET HA . 11504 1 1902 . 1 1 163 163 MET HB2 H 1 1.860 0.04 . 1 . . . A 3658 MET HB2 . 11504 1 1903 . 1 1 163 163 MET HB3 H 1 2.287 0.04 . 1 . . . A 3658 MET HB3 . 11504 1 1904 . 1 1 163 163 MET HG2 H 1 2.463 0.04 . 2 . . . A 3658 MET HG2 . 11504 1 1905 . 1 1 163 163 MET HG3 H 1 2.141 0.04 . 2 . . . A 3658 MET HG3 . 11504 1 1906 . 1 1 163 163 MET HE1 H 1 1.423 0.04 . 1 . . . A 3658 MET HE1 . 11504 1 1907 . 1 1 163 163 MET HE2 H 1 1.423 0.04 . 1 . . . A 3658 MET HE2 . 11504 1 1908 . 1 1 163 163 MET HE3 H 1 1.423 0.04 . 1 . . . A 3658 MET HE3 . 11504 1 1909 . 1 1 163 163 MET C C 13 174.048 0.40 . 1 . . . A 3658 MET C . 11504 1 1910 . 1 1 163 163 MET CA C 13 54.798 0.40 . 1 . . . A 3658 MET CA . 11504 1 1911 . 1 1 163 163 MET CB C 13 36.946 0.40 . 1 . . . A 3658 MET CB . 11504 1 1912 . 1 1 163 163 MET CG C 13 33.393 0.40 . 1 . . . A 3658 MET CG . 11504 1 1913 . 1 1 163 163 MET CE C 13 18.005 0.40 . 1 . . . A 3658 MET CE . 11504 1 1914 . 1 1 163 163 MET N N 15 124.879 0.40 . 1 . . . A 3658 MET N . 11504 1 1915 . 1 1 164 164 ILE H H 1 9.486 0.04 . 1 . . . A 3659 ILE H . 11504 1 1916 . 1 1 164 164 ILE HA H 1 5.451 0.04 . 1 . . . A 3659 ILE HA . 11504 1 1917 . 1 1 164 164 ILE HB H 1 1.735 0.04 . 1 . . . A 3659 ILE HB . 11504 1 1918 . 1 1 164 164 ILE HG12 H 1 1.001 0.04 . 2 . . . A 3659 ILE HG12 . 11504 1 1919 . 1 1 164 164 ILE HG13 H 1 1.515 0.04 . 2 . . . A 3659 ILE HG13 . 11504 1 1920 . 1 1 164 164 ILE HG21 H 1 0.659 0.04 . 1 . . . A 3659 ILE HG21 . 11504 1 1921 . 1 1 164 164 ILE HG22 H 1 0.659 0.04 . 1 . . . A 3659 ILE HG22 . 11504 1 1922 . 1 1 164 164 ILE HG23 H 1 0.659 0.04 . 1 . . . A 3659 ILE HG23 . 11504 1 1923 . 1 1 164 164 ILE HD11 H 1 0.645 0.04 . 1 . . . A 3659 ILE HD11 . 11504 1 1924 . 1 1 164 164 ILE HD12 H 1 0.645 0.04 . 1 . . . A 3659 ILE HD12 . 11504 1 1925 . 1 1 164 164 ILE HD13 H 1 0.645 0.04 . 1 . . . A 3659 ILE HD13 . 11504 1 1926 . 1 1 164 164 ILE C C 13 174.373 0.40 . 1 . . . A 3659 ILE C . 11504 1 1927 . 1 1 164 164 ILE CA C 13 59.983 0.40 . 1 . . . A 3659 ILE CA . 11504 1 1928 . 1 1 164 164 ILE CB C 13 40.586 0.40 . 1 . . . A 3659 ILE CB . 11504 1 1929 . 1 1 164 164 ILE CG1 C 13 27.733 0.40 . 1 . . . A 3659 ILE CG1 . 11504 1 1930 . 1 1 164 164 ILE CG2 C 13 16.488 0.40 . 1 . . . A 3659 ILE CG2 . 11504 1 1931 . 1 1 164 164 ILE CD1 C 13 13.851 0.40 . 1 . . . A 3659 ILE CD1 . 11504 1 1932 . 1 1 164 164 ILE N N 15 130.006 0.40 . 1 . . . A 3659 ILE N . 11504 1 1933 . 1 1 165 165 VAL H H 1 9.473 0.04 . 1 . . . A 3660 VAL H . 11504 1 1934 . 1 1 165 165 VAL HA H 1 5.029 0.04 . 1 . . . A 3660 VAL HA . 11504 1 1935 . 1 1 165 165 VAL HB H 1 2.284 0.04 . 1 . . . A 3660 VAL HB . 11504 1 1936 . 1 1 165 165 VAL HG11 H 1 0.971 0.04 . 1 . . . A 3660 VAL HG11 . 11504 1 1937 . 1 1 165 165 VAL HG12 H 1 0.971 0.04 . 1 . . . A 3660 VAL HG12 . 11504 1 1938 . 1 1 165 165 VAL HG13 H 1 0.971 0.04 . 1 . . . A 3660 VAL HG13 . 11504 1 1939 . 1 1 165 165 VAL HG21 H 1 1.004 0.04 . 1 . . . A 3660 VAL HG21 . 11504 1 1940 . 1 1 165 165 VAL HG22 H 1 1.004 0.04 . 1 . . . A 3660 VAL HG22 . 11504 1 1941 . 1 1 165 165 VAL HG23 H 1 1.004 0.04 . 1 . . . A 3660 VAL HG23 . 11504 1 1942 . 1 1 165 165 VAL C C 13 175.757 0.40 . 1 . . . A 3660 VAL C . 11504 1 1943 . 1 1 165 165 VAL CA C 13 61.341 0.40 . 1 . . . A 3660 VAL CA . 11504 1 1944 . 1 1 165 165 VAL CB C 13 34.319 0.40 . 1 . . . A 3660 VAL CB . 11504 1 1945 . 1 1 165 165 VAL CG1 C 13 21.376 0.40 . 1 . . . A 3660 VAL CG1 . 11504 1 1946 . 1 1 165 165 VAL CG2 C 13 22.000 0.40 . 1 . . . A 3660 VAL CG2 . 11504 1 1947 . 1 1 165 165 VAL N N 15 129.193 0.40 . 1 . . . A 3660 VAL N . 11504 1 1948 . 1 1 166 166 ILE H H 1 9.491 0.04 . 1 . . . A 3661 ILE H . 11504 1 1949 . 1 1 166 166 ILE HA H 1 5.090 0.04 . 1 . . . A 3661 ILE HA . 11504 1 1950 . 1 1 166 166 ILE HB H 1 1.605 0.04 . 1 . . . A 3661 ILE HB . 11504 1 1951 . 1 1 166 166 ILE HG12 H 1 1.538 0.04 . 2 . . . A 3661 ILE HG12 . 11504 1 1952 . 1 1 166 166 ILE HG13 H 1 0.794 0.04 . 2 . . . A 3661 ILE HG13 . 11504 1 1953 . 1 1 166 166 ILE HG21 H 1 0.706 0.04 . 1 . . . A 3661 ILE HG21 . 11504 1 1954 . 1 1 166 166 ILE HG22 H 1 0.706 0.04 . 1 . . . A 3661 ILE HG22 . 11504 1 1955 . 1 1 166 166 ILE HG23 H 1 0.706 0.04 . 1 . . . A 3661 ILE HG23 . 11504 1 1956 . 1 1 166 166 ILE HD11 H 1 0.531 0.04 . 1 . . . A 3661 ILE HD11 . 11504 1 1957 . 1 1 166 166 ILE HD12 H 1 0.531 0.04 . 1 . . . A 3661 ILE HD12 . 11504 1 1958 . 1 1 166 166 ILE HD13 H 1 0.531 0.04 . 1 . . . A 3661 ILE HD13 . 11504 1 1959 . 1 1 166 166 ILE C C 13 174.599 0.40 . 1 . . . A 3661 ILE C . 11504 1 1960 . 1 1 166 166 ILE CA C 13 60.956 0.40 . 1 . . . A 3661 ILE CA . 11504 1 1961 . 1 1 166 166 ILE CB C 13 39.456 0.40 . 1 . . . A 3661 ILE CB . 11504 1 1962 . 1 1 166 166 ILE CG1 C 13 27.039 0.40 . 1 . . . A 3661 ILE CG1 . 11504 1 1963 . 1 1 166 166 ILE CG2 C 13 17.209 0.40 . 1 . . . A 3661 ILE CG2 . 11504 1 1964 . 1 1 166 166 ILE CD1 C 13 13.508 0.40 . 1 . . . A 3661 ILE CD1 . 11504 1 1965 . 1 1 166 166 ILE N N 15 130.864 0.40 . 1 . . . A 3661 ILE N . 11504 1 1966 . 1 1 167 167 ALA H H 1 8.727 0.04 . 1 . . . A 3662 ALA H . 11504 1 1967 . 1 1 167 167 ALA HA H 1 5.009 0.04 . 1 . . . A 3662 ALA HA . 11504 1 1968 . 1 1 167 167 ALA HB1 H 1 1.499 0.04 . 1 . . . A 3662 ALA HB1 . 11504 1 1969 . 1 1 167 167 ALA HB2 H 1 1.499 0.04 . 1 . . . A 3662 ALA HB2 . 11504 1 1970 . 1 1 167 167 ALA HB3 H 1 1.499 0.04 . 1 . . . A 3662 ALA HB3 . 11504 1 1971 . 1 1 167 167 ALA C C 13 176.210 0.40 . 1 . . . A 3662 ALA C . 11504 1 1972 . 1 1 167 167 ALA CA C 13 50.818 0.40 . 1 . . . A 3662 ALA CA . 11504 1 1973 . 1 1 167 167 ALA CB C 13 22.552 0.40 . 1 . . . A 3662 ALA CB . 11504 1 1974 . 1 1 167 167 ALA N N 15 128.747 0.40 . 1 . . . A 3662 ALA N . 11504 1 1975 . 1 1 168 168 SER H H 1 8.715 0.04 . 1 . . . A 3663 SER H . 11504 1 1976 . 1 1 168 168 SER C C 13 174.150 0.40 . 1 . . . A 3663 SER C . 11504 1 1977 . 1 1 168 168 SER CA C 13 58.399 0.40 . 1 . . . A 3663 SER CA . 11504 1 1978 . 1 1 168 168 SER CB C 13 64.142 0.40 . 1 . . . A 3663 SER CB . 11504 1 1979 . 1 1 168 168 SER N N 15 117.622 0.40 . 1 . . . A 3663 SER N . 11504 1 1980 . 2 2 1 1 TYR HA H 1 4.455 0.04 . 1 . . . . 2518 TYR HA . 11504 1 1981 . 2 2 1 1 TYR HB2 H 1 2.703 0.04 . 2 . . . . 2518 TYR HB2 . 11504 1 1982 . 2 2 1 1 TYR HB3 H 1 3.308 0.04 . 2 . . . . 2518 TYR HB3 . 11504 1 1983 . 2 2 1 1 TYR HD1 H 1 7.082 0.04 . 3 . . . . 2518 TYR HD1 . 11504 1 1984 . 2 2 1 1 TYR HE1 H 1 6.847 0.04 . 3 . . . . 2518 TYR HE1 . 11504 1 1985 . 2 2 1 1 TYR CA C 13 57.058 0.40 . 1 . . . . 2518 TYR CA . 11504 1 1986 . 2 2 1 1 TYR CB C 13 39.012 0.40 . 1 . . . . 2518 TYR CB . 11504 1 1987 . 2 2 1 1 TYR CD1 C 13 132.725 0.40 . 3 . . . . 2518 TYR CD1 . 11504 1 1988 . 2 2 1 1 TYR CE1 C 13 118.707 0.40 . 3 . . . . 2518 TYR CE1 . 11504 1 1989 . 2 2 2 2 GLU H H 1 8.680 0.04 . 1 . . . . 2519 GLU H . 11504 1 1990 . 2 2 2 2 GLU HB2 H 1 1.888 0.04 . 2 . . . . 2519 GLU HB2 . 11504 1 1991 . 2 2 2 2 GLU HB3 H 1 2.124 0.04 . 2 . . . . 2519 GLU HB3 . 11504 1 1992 . 2 2 2 2 GLU HG2 H 1 2.338 0.04 . 2 . . . . 2519 GLU HG2 . 11504 1 1993 . 2 2 2 2 GLU HG3 H 1 2.307 0.04 . 2 . . . . 2519 GLU HG3 . 11504 1 1994 . 2 2 2 2 GLU CB C 13 31.713 0.40 . 1 . . . . 2519 GLU CB . 11504 1 1995 . 2 2 2 2 GLU CG C 13 36.803 0.40 . 1 . . . . 2519 GLU CG . 11504 1 1996 . 2 2 2 2 GLU N N 15 121.315 0.40 . 1 . . . . 2519 GLU N . 11504 1 1997 . 2 2 4 4 LEU H H 1 7.788 0.04 . 1 . . . . 2521 LEU H . 11504 1 1998 . 2 2 4 4 LEU HA H 1 4.172 0.04 . 1 . . . . 2521 LEU HA . 11504 1 1999 . 2 2 4 4 LEU HB2 H 1 1.526 0.04 . 2 . . . . 2521 LEU HB2 . 11504 1 2000 . 2 2 4 4 LEU HG H 1 1.604 0.04 . 1 . . . . 2521 LEU HG . 11504 1 2001 . 2 2 4 4 LEU HD11 H 1 0.728 0.04 . 2 . . . . 2521 LEU HD11 . 11504 1 2002 . 2 2 4 4 LEU HD12 H 1 0.728 0.04 . 2 . . . . 2521 LEU HD12 . 11504 1 2003 . 2 2 4 4 LEU HD13 H 1 0.728 0.04 . 2 . . . . 2521 LEU HD13 . 11504 1 2004 . 2 2 4 4 LEU CA C 13 55.428 0.40 . 1 . . . . 2521 LEU CA . 11504 1 2005 . 2 2 4 4 LEU CB C 13 41.307 0.40 . 1 . . . . 2521 LEU CB . 11504 1 2006 . 2 2 4 4 LEU CG C 13 27.794 0.40 . 1 . . . . 2521 LEU CG . 11504 1 2007 . 2 2 4 4 LEU CD1 C 13 25.636 0.40 . 2 . . . . 2521 LEU CD1 . 11504 1 2008 . 2 2 4 4 LEU N N 15 122.969 0.40 . 1 . . . . 2521 LEU N . 11504 1 2009 . 2 2 5 5 SEP H H 1 9.399 0.04 . 1 . . . . 2522 SEP H . 11504 1 2010 . 2 2 6 6 ASP H H 1 8.383 0.04 . 1 . . . . 2523 ASP H . 11504 1 2011 . 2 2 6 6 ASP HB2 H 1 2.586 0.04 . 2 . . . . 2523 ASP HB2 . 11504 1 2012 . 2 2 6 6 ASP HB3 H 1 2.722 0.04 . 2 . . . . 2523 ASP HB3 . 11504 1 2013 . 2 2 6 6 ASP CB C 13 41.594 0.40 . 1 . . . . 2523 ASP CB . 11504 1 2014 . 2 2 6 6 ASP N N 15 123.085 0.40 . 1 . . . . 2523 ASP N . 11504 1 2015 . 2 2 8 8 GLU H H 1 8.084 0.04 . 1 . . . . 2525 GLU H . 11504 1 2016 . 2 2 8 8 GLU HA H 1 4.074 0.04 . 1 . . . . 2525 GLU HA . 11504 1 2017 . 2 2 8 8 GLU HB2 H 1 2.009 0.04 . 2 . . . . 2525 GLU HB2 . 11504 1 2018 . 2 2 8 8 GLU HB3 H 1 1.870 0.04 . 2 . . . . 2525 GLU HB3 . 11504 1 2019 . 2 2 8 8 GLU HG3 H 1 2.181 0.04 . 2 . . . . 2525 GLU HG3 . 11504 1 2020 . 2 2 8 8 GLU CA C 13 58.160 0.40 . 1 . . . . 2525 GLU CA . 11504 1 2021 . 2 2 8 8 GLU CB C 13 30.850 0.40 . 1 . . . . 2525 GLU CB . 11504 1 2022 . 2 2 8 8 GLU CG C 13 36.444 0.40 . 1 . . . . 2525 GLU CG . 11504 1 2023 . 2 2 8 8 GLU N N 15 129.562 0.40 . 1 . . . . 2525 GLU N . 11504 1 stop_ save_