data_11504 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of SPOC domain of the human transcriptional corepressor SHARP ; _BMRB_accession_number 11504 _BMRB_flat_file_name bmr11504.str _Entry_type original _Submission_date 2012-05-22 _Accession_date 2012-05-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mikami Suzuka . . 2 Kanaba Teppei . . 3 Mishima Masaki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 895 "13C chemical shifts" 723 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-12-02 original author . stop_ _Original_release_date 2013-12-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Insights into the Recruitment of SMRT by the Corepressor SHARP under Phosphorylative Regulation' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24268649 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mikami Suzuka . . 2 Kanaba Teppei . . 3 Mishima Masaki . . stop_ _Journal_abbreviation Structure _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SPOC domain of the human transcriptional corepressor SHARP in complex with SMRT' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $SHARP entity_2 $SMRT stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SHARP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SHARP _Molecular_mass 18471.535 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 169 _Mol_residue_sequence ; VDMVQLLKKYPIVWQGLLAL KNDTAAVQLHFVSGNNVLAH RSLPLSEGGPPLRIAQRMRL EATQLEGVARRMTVETDYCL LLALPCGRDQEDVVSQTESL KAAFITYLQAKQAAGIINVP NPGSNQPAYVLQIFPPCEFS ESHLSRLAPDLLASISNISP HLMIVIASV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 3496 VAL 2 3497 ASP 3 3498 MET 4 3499 VAL 5 3500 GLN 6 3501 LEU 7 3502 LEU 8 3503 LYS 9 3504 LYS 10 3505 TYR 11 3506 PRO 12 3507 ILE 13 3508 VAL 14 3509 TRP 15 3510 GLN 16 3511 GLY 17 3512 LEU 18 3513 LEU 19 3514 ALA 20 3515 LEU 21 3516 LYS 22 3517 ASN 23 3518 ASP 24 3519 THR 25 3520 ALA 26 3521 ALA 27 3522 VAL 28 3523 GLN 29 3524 LEU 30 3525 HIS 31 3526 PHE 32 3527 VAL 33 3528 SER 34 3529 GLY 35 3530 ASN 36 3531 ASN 37 3532 VAL 38 3533 LEU 39 3534 ALA 40 3535 HIS 41 3536 ARG 42 3537 SER 43 3538 LEU 44 3539 PRO 45 3540 LEU 46 3541 SER 47 3542 GLU 48 3543 GLY 49 3544 GLY 50 3545 PRO 51 3546 PRO 52 3547 LEU 53 3548 ARG 54 3549 ILE 55 3550 ALA 56 3551 GLN 57 3552 ARG 58 3553 MET 59 3554 ARG 60 3555 LEU 61 3556 GLU 62 3557 ALA 63 3558 THR 64 3559 GLN 65 3560 LEU 66 3561 GLU 67 3562 GLY 68 3563 VAL 69 3564 ALA 70 3565 ARG 71 3566 ARG 72 3567 MET 73 3568 THR 74 3569 VAL 75 3570 GLU 76 3571 THR 77 3572 ASP 78 3573 TYR 79 3574 CYS 80 3575 LEU 81 3576 LEU 82 3577 LEU 83 3578 ALA 84 3579 LEU 85 3580 PRO 86 3581 CYS 87 3582 GLY 88 3583 ARG 89 3584 ASP 90 3585 GLN 91 3586 GLU 92 3587 ASP 93 3588 VAL 94 3589 VAL 95 3590 SER 96 3591 GLN 97 3592 THR 98 3593 GLU 99 3594 SER 100 3595 LEU 101 3596 LYS 102 3597 ALA 103 3598 ALA 104 3599 PHE 105 3600 ILE 106 3601 THR 107 3602 TYR 108 3603 LEU 109 3604 GLN 110 3605 ALA 111 3606 LYS 112 3607 GLN 113 3608 ALA 114 3609 ALA 115 3610 GLY 116 3611 ILE 117 3612 ILE 118 3613 ASN 119 3614 VAL 120 3615 PRO 121 3616 ASN 122 3617 PRO 123 3618 GLY 124 3619 SER 125 3620 ASN 126 3621 GLN 127 3622 PRO 128 3623 ALA 129 3624 TYR 130 3625 VAL 131 3626 LEU 132 3627 GLN 133 3628 ILE 134 3629 PHE 135 3630 PRO 136 3631 PRO 137 3632 CYS 138 3633 GLU 139 3634 PHE 140 3635 SER 141 3636 GLU 142 3637 SER 143 3638 HIS 144 3639 LEU 145 3640 SER 146 3641 ARG 147 3642 LEU 148 3643 ALA 149 3644 PRO 150 3645 ASP 151 3646 LEU 152 3647 LEU 153 3648 ALA 154 3649 SER 155 3650 ILE 156 3651 SER 157 3652 ASN 158 3653 ILE 159 3654 SER 160 3655 PRO 161 3656 HIS 162 3657 LEU 163 3658 MET 164 3659 ILE 165 3660 VAL 166 3661 ILE 167 3662 ALA 168 3663 SER 169 3664 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1OW1 "Crystal Structure Of The Spoc Domain Of The Human Transcriptional Corepressor, Sharp" 100.00 195 100.00 100.00 2.77e-118 PDB 2RT5 "Structural Insights Into The Recruitment Of Smrt By The Co-repressor Sharp Under Phosphorylative Regulation" 100.00 169 100.00 100.00 6.69e-119 DBJ BAA76773 "KIAA0929 protein [Homo sapiens]" 100.00 1663 100.00 100.00 2.58e-111 DBJ BAB32786 "Msx-2 interacting nuclear target protein [Mus musculus]" 100.00 3551 99.41 100.00 2.21e-108 DBJ BAG10400 "spen homolog, transcriptional regulator [synthetic construct]" 100.00 3623 100.00 100.00 1.43e-108 EMBL CAB51072 "hypothetical protein [Homo sapiens]" 100.00 3261 100.00 100.00 4.40e-109 GB AAD55931 "Msx2 interacting nuclear target protein [Mus musculus]" 100.00 3576 99.41 100.00 1.71e-108 GB AAI72907 "spen homolog, transcriptional regulator [synthetic construct]" 100.00 1513 100.00 100.00 2.18e-111 GB AAK52750 "nuclear receptor transcription cofactor [Homo sapiens]" 100.00 3664 100.00 100.00 6.46e-109 GB EAW51756 "spen homolog, transcriptional regulator (Drosophila) [Homo sapiens]" 100.00 3664 100.00 100.00 6.46e-109 GB EDL80993 "rCG30673 [Rattus norvegicus]" 100.00 3563 99.41 100.00 1.52e-108 REF NP_001258424 "msx2-interacting protein [Rattus norvegicus]" 100.00 3611 99.41 100.00 2.35e-108 REF NP_055816 "msx2-interacting protein [Homo sapiens]" 100.00 3664 100.00 100.00 6.46e-109 REF NP_062737 "msx2-interacting protein [Mus musculus]" 100.00 3643 99.41 100.00 2.66e-108 REF XP_002694185 "PREDICTED: msx2-interacting protein isoform X1 [Bos taurus]" 100.00 3652 99.41 100.00 2.52e-108 REF XP_002750362 "PREDICTED: msx2-interacting protein isoform X1 [Callithrix jacchus]" 100.00 3675 99.41 100.00 2.28e-108 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 2.77e-108 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 6.46e-109 TPG DAA21211 "TPA: spen homolog, transcriptional regulator [Bos taurus]" 100.00 3652 99.41 100.00 2.52e-108 stop_ save_ save_SMRT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SMRT _Molecular_mass 1102.889 _Mol_thiol_state 'not present' _Details . _Residue_count 8 _Mol_residue_sequence YETLXDXE loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2518 TYR 2 2519 GLU 3 2520 THR 4 2521 LEU 5 2522 SEP 6 2523 ASP 7 2524 SEP 8 2525 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_SEP _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOSERINE _BMRB_code SEP _PDB_code SEP _Standard_residue_derivative . _Molecular_mass 185.072 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? OG OG O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HXT HXT H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB OG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING OG P ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SHARP Human 9606 Eukaryota Metazoa Homo sapiens $SMRT Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $SHARP 'recombinant technology' 'E. coli' . . . pGEX6P-3 $SMRT 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SHARP 0.9 mM '[U-100% 13C; U-100% 15N]' $SMRT 0.9 mM 'natural abundance' H2O 93 % . D2O 7 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SHARP 0.9 mM '[U-15% 13C; U-100% 15N]' $SMRT 0.9 mM 'natural abundance' H2O 93 % . D2O 7 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SHARP 0.9 mM '[U-13C; U-15N]-Leu, Glu, Tyr, Asp' $SMRT 0.9 mM 'natural abundance' H2O 93 % . D2O 7 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SHARP 0.9 mM '[U-100% 13C; U-100% 15N]' $SMRT 0.9 mM 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_4D_HC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HC(CO)NH' _Sample_label $sample_1 save_ save_3D_13C_edited_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C edited NOESY-HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_HNHB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_2 save_ save_3D_HN(CO)NB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)NB' _Sample_label $sample_2 save_ save_15N_edited_NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N edited NOESY-HSQC' _Sample_label $sample_1 save_ save_2D_15N_filtered_1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N filtered 1H NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 7.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '4D HC(CO)NH' '3D 13C edited NOESY-HSQC' '2D 1H-13C HSQC aliphatic' '3D HNHB' '3D HN(CO)NB' '15N edited NOESY-HSQC' '2D 15N filtered 1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3496 1 VAL HA H 3.952 0.04 1 2 3496 1 VAL HB H 1.955 0.04 1 3 3496 1 VAL HG1 H 0.847 0.04 2 4 3496 1 VAL HG2 H 0.873 0.04 2 5 3496 1 VAL C C 175.376 0.40 1 6 3496 1 VAL CA C 62.448 0.40 1 7 3496 1 VAL CB C 32.815 0.40 1 8 3496 1 VAL CG1 C 21.161 0.40 2 9 3496 1 VAL CG2 C 21.128 0.40 2 10 3497 2 ASP H H 8.459 0.04 1 11 3497 2 ASP HA H 4.612 0.04 1 12 3497 2 ASP HB2 H 2.622 0.04 2 13 3497 2 ASP HB3 H 2.802 0.04 2 14 3497 2 ASP C C 176.960 0.40 1 15 3497 2 ASP CA C 53.826 0.40 1 16 3497 2 ASP CB C 40.965 0.40 1 17 3497 2 ASP N N 126.184 0.40 1 18 3498 3 MET H H 8.466 0.04 1 19 3498 3 MET HA H 4.302 0.04 1 20 3498 3 MET HB2 H 2.076 0.04 2 21 3498 3 MET HB3 H 2.062 0.04 2 22 3498 3 MET HG2 H 2.548 0.04 2 23 3498 3 MET HG3 H 2.597 0.04 2 24 3498 3 MET HE H 1.890 0.04 1 25 3498 3 MET C C 177.531 0.40 1 26 3498 3 MET CA C 57.005 0.40 1 27 3498 3 MET CB C 31.808 0.40 1 28 3498 3 MET CG C 32.290 0.40 1 29 3498 3 MET CE C 16.326 0.40 1 30 3498 3 MET N N 125.200 0.40 1 31 3499 4 VAL H H 7.908 0.04 1 32 3499 4 VAL HA H 3.610 0.04 1 33 3499 4 VAL HB H 2.181 0.04 1 34 3499 4 VAL HG1 H 0.901 0.04 1 35 3499 4 VAL HG2 H 1.019 0.04 1 36 3499 4 VAL C C 178.701 0.40 1 37 3499 4 VAL CA C 66.222 0.40 1 38 3499 4 VAL CB C 31.341 0.40 1 39 3499 4 VAL CG1 C 20.838 0.40 1 40 3499 4 VAL CG2 C 22.387 0.40 1 41 3499 4 VAL N N 120.575 0.40 1 42 3500 5 GLN H H 7.653 0.04 1 43 3500 5 GLN HA H 4.061 0.04 1 44 3500 5 GLN HB2 H 2.073 0.04 2 45 3500 5 GLN HB3 H 2.104 0.04 2 46 3500 5 GLN HG2 H 2.412 0.04 2 47 3500 5 GLN HG3 H 2.434 0.04 2 48 3500 5 GLN C C 178.926 0.40 1 49 3500 5 GLN CA C 58.024 0.40 1 50 3500 5 GLN CB C 28.337 0.40 1 51 3500 5 GLN CG C 33.760 0.40 1 52 3500 5 GLN N N 119.457 0.40 1 53 3501 6 LEU H H 7.986 0.04 1 54 3501 6 LEU HA H 4.107 0.04 1 55 3501 6 LEU HB2 H 1.641 0.04 1 56 3501 6 LEU HB3 H 1.840 0.04 1 57 3501 6 LEU HG H 1.034 0.04 1 58 3501 6 LEU HD1 H 0.859 0.04 1 59 3501 6 LEU HD2 H 0.820 0.04 1 60 3501 6 LEU C C 178.613 0.40 1 61 3501 6 LEU CA C 58.116 0.40 1 62 3501 6 LEU CB C 42.303 0.40 1 63 3501 6 LEU CG C 27.081 0.40 1 64 3501 6 LEU CD1 C 25.345 0.40 1 65 3501 6 LEU CD2 C 24.685 0.40 1 66 3501 6 LEU N N 123.106 0.40 1 67 3502 7 LEU H H 8.029 0.04 1 68 3502 7 LEU HA H 4.124 0.04 1 69 3502 7 LEU HB2 H 1.568 0.04 1 70 3502 7 LEU HB3 H 1.838 0.04 1 71 3502 7 LEU HG H 1.661 0.04 1 72 3502 7 LEU HD1 H 0.838 0.04 1 73 3502 7 LEU HD2 H 0.725 0.04 1 74 3502 7 LEU C C 178.760 0.40 1 75 3502 7 LEU CA C 56.842 0.40 1 76 3502 7 LEU CB C 41.400 0.40 1 77 3502 7 LEU CG C 27.260 0.40 1 78 3502 7 LEU CD1 C 25.150 0.40 1 79 3502 7 LEU CD2 C 22.820 0.40 1 80 3502 7 LEU N N 118.549 0.40 1 81 3503 8 LYS H H 7.336 0.04 1 82 3503 8 LYS HA H 4.052 0.04 1 83 3503 8 LYS HB2 H 1.450 0.04 2 84 3503 8 LYS HB3 H 1.424 0.04 2 85 3503 8 LYS HG2 H 1.837 0.04 2 86 3503 8 LYS HG3 H 1.861 0.04 2 87 3503 8 LYS HD2 H 1.640 0.04 2 88 3503 8 LYS HD3 H 1.667 0.04 2 89 3503 8 LYS HE2 H 2.958 0.04 2 90 3503 8 LYS HE3 H 2.930 0.04 2 91 3503 8 LYS C C 177.769 0.40 1 92 3503 8 LYS CA C 58.479 0.40 1 93 3503 8 LYS CB C 32.441 0.40 1 94 3503 8 LYS CG C 25.210 0.40 1 95 3503 8 LYS CD C 29.216 0.40 1 96 3503 8 LYS CE C 42.122 0.40 1 97 3503 8 LYS N N 119.344 0.40 1 98 3504 9 LYS H H 7.355 0.04 1 99 3504 9 LYS HA H 3.943 0.04 1 100 3504 9 LYS HB2 H 1.418 0.04 2 101 3504 9 LYS HB3 H 1.267 0.04 2 102 3504 9 LYS HG2 H 1.556 0.04 2 103 3504 9 LYS HG3 H 1.563 0.04 2 104 3504 9 LYS HD2 H 1.528 0.04 2 105 3504 9 LYS HD3 H 1.523 0.04 2 106 3504 9 LYS HE2 H 2.903 0.04 2 107 3504 9 LYS HE3 H 2.931 0.04 2 108 3504 9 LYS C C 175.494 0.40 1 109 3504 9 LYS CA C 57.709 0.40 1 110 3504 9 LYS CB C 33.315 0.40 1 111 3504 9 LYS CG C 24.951 0.40 1 112 3504 9 LYS CD C 29.517 0.40 1 113 3504 9 LYS CE C 41.962 0.40 1 114 3504 9 LYS N N 119.572 0.40 1 115 3505 10 TYR H H 7.839 0.04 1 116 3505 10 TYR HA H 5.627 0.04 1 117 3505 10 TYR HB2 H 2.941 0.04 2 118 3505 10 TYR HB3 H 2.847 0.04 2 119 3505 10 TYR HD1 H 7.481 0.04 3 120 3505 10 TYR HE1 H 6.809 0.04 3 121 3505 10 TYR C C 172.235 0.40 1 122 3505 10 TYR CA C 54.228 0.40 1 123 3505 10 TYR CB C 37.723 0.40 1 124 3505 10 TYR CD1 C 134.531 0.40 3 125 3505 10 TYR CE1 C 117.731 0.40 3 126 3505 10 TYR N N 120.711 0.40 1 127 3506 11 PRO HA H 4.570 0.04 1 128 3506 11 PRO HB2 H 1.856 0.04 2 129 3506 11 PRO HB3 H 2.306 0.04 2 130 3506 11 PRO HG2 H 1.990 0.04 2 131 3506 11 PRO HG3 H 1.997 0.04 2 132 3506 11 PRO HD2 H 3.551 0.04 2 133 3506 11 PRO HD3 H 4.003 0.04 2 134 3506 11 PRO C C 176.787 0.40 1 135 3506 11 PRO CA C 62.972 0.40 1 136 3506 11 PRO CB C 32.773 0.40 1 137 3506 11 PRO CG C 27.097 0.40 1 138 3506 11 PRO CD C 50.828 0.40 1 139 3507 12 ILE H H 8.332 0.04 1 140 3507 12 ILE HA H 4.030 0.04 1 141 3507 12 ILE HB H 1.486 0.04 1 142 3507 12 ILE HG12 H -0.173 0.04 2 143 3507 12 ILE HG13 H 1.402 0.04 2 144 3507 12 ILE HG2 H 0.658 0.04 1 145 3507 12 ILE HD1 H 0.659 0.04 1 146 3507 12 ILE C C 178.133 0.40 1 147 3507 12 ILE CA C 62.047 0.40 1 148 3507 12 ILE CB C 38.270 0.40 1 149 3507 12 ILE CG1 C 28.533 0.40 1 150 3507 12 ILE CG2 C 17.686 0.40 1 151 3507 12 ILE CD1 C 13.408 0.40 1 152 3507 12 ILE N N 122.219 0.40 1 153 3508 13 VAL H H 8.950 0.04 1 154 3508 13 VAL HA H 4.545 0.04 1 155 3508 13 VAL HB H 2.210 0.04 1 156 3508 13 VAL HG1 H 0.915 0.04 1 157 3508 13 VAL HG2 H 0.759 0.04 1 158 3508 13 VAL C C 174.952 0.40 1 159 3508 13 VAL CA C 60.571 0.40 1 160 3508 13 VAL CB C 32.987 0.40 1 161 3508 13 VAL CG1 C 22.036 0.40 1 162 3508 13 VAL CG2 C 19.520 0.40 1 163 3508 13 VAL N N 122.331 0.40 1 164 3509 14 TRP H H 7.439 0.04 1 165 3509 14 TRP HA H 4.501 0.04 1 166 3509 14 TRP HB2 H 3.366 0.04 1 167 3509 14 TRP HB3 H 2.544 0.04 1 168 3509 14 TRP C C 172.797 0.40 1 169 3509 14 TRP CA C 59.697 0.40 1 170 3509 14 TRP CB C 32.821 0.40 1 171 3509 14 TRP N N 122.799 0.40 1 172 3510 15 GLN H H 6.982 0.04 1 173 3510 15 GLN HA H 4.852 0.04 1 174 3510 15 GLN HB2 H 1.754 0.04 2 175 3510 15 GLN HB3 H 1.716 0.04 2 176 3510 15 GLN HG2 H 1.981 0.04 2 177 3510 15 GLN HG3 H 2.051 0.04 2 178 3510 15 GLN C C 172.444 0.40 1 179 3510 15 GLN CA C 54.470 0.40 1 180 3510 15 GLN CB C 32.061 0.40 1 181 3510 15 GLN CG C 33.636 0.40 1 182 3510 15 GLN N N 125.989 0.40 1 183 3511 16 GLY H H 7.868 0.04 1 184 3511 16 GLY HA2 H 3.370 0.04 2 185 3511 16 GLY HA3 H 3.037 0.04 2 186 3511 16 GLY C C 170.638 0.40 1 187 3511 16 GLY CA C 45.631 0.40 1 188 3511 16 GLY N N 113.046 0.40 1 189 3512 17 LEU H H 8.505 0.04 1 190 3512 17 LEU HA H 5.032 0.04 1 191 3512 17 LEU HB2 H 1.579 0.04 1 192 3512 17 LEU HB3 H 1.213 0.04 1 193 3512 17 LEU HG H 1.564 0.04 1 194 3512 17 LEU HD1 H 0.814 0.04 1 195 3512 17 LEU HD2 H 0.725 0.04 1 196 3512 17 LEU C C 176.160 0.40 1 197 3512 17 LEU CA C 54.140 0.40 1 198 3512 17 LEU CB C 44.641 0.40 1 199 3512 17 LEU CG C 27.219 0.40 1 200 3512 17 LEU CD1 C 25.190 0.40 1 201 3512 17 LEU CD2 C 23.592 0.40 1 202 3512 17 LEU N N 122.294 0.40 1 203 3513 18 LEU H H 8.682 0.04 1 204 3513 18 LEU HA H 5.215 0.04 1 205 3513 18 LEU HB2 H 1.327 0.04 2 206 3513 18 LEU HB3 H 1.291 0.04 2 207 3513 18 LEU HG H 1.645 0.04 1 208 3513 18 LEU HD1 H 0.462 0.04 1 209 3513 18 LEU HD2 H 0.619 0.04 1 210 3513 18 LEU C C 176.066 0.40 1 211 3513 18 LEU CA C 52.883 0.40 1 212 3513 18 LEU CB C 45.585 0.40 1 213 3513 18 LEU CG C 26.773 0.40 1 214 3513 18 LEU CD1 C 25.491 0.40 1 215 3513 18 LEU CD2 C 23.800 0.40 1 216 3513 18 LEU N N 122.165 0.40 1 217 3514 19 ALA H H 8.781 0.04 1 218 3514 19 ALA HA H 5.530 0.04 1 219 3514 19 ALA HB H 1.150 0.04 1 220 3514 19 ALA C C 174.916 0.40 1 221 3514 19 ALA CA C 50.517 0.40 1 222 3514 19 ALA CB C 23.058 0.40 1 223 3514 19 ALA N N 123.799 0.40 1 224 3515 20 LEU H H 8.044 0.04 1 225 3515 20 LEU HA H 4.137 0.04 1 226 3515 20 LEU HB2 H 0.518 0.04 1 227 3515 20 LEU HB3 H 0.942 0.04 1 228 3515 20 LEU HG H 0.968 0.04 1 229 3515 20 LEU HD1 H 0.519 0.04 1 230 3515 20 LEU HD2 H 0.120 0.04 1 231 3515 20 LEU C C 174.717 0.40 1 232 3515 20 LEU CA C 55.869 0.40 1 233 3515 20 LEU CB C 44.313 0.40 1 234 3515 20 LEU CG C 27.842 0.40 1 235 3515 20 LEU CD1 C 24.520 0.40 1 236 3515 20 LEU CD2 C 25.042 0.40 1 237 3515 20 LEU N N 125.052 0.40 1 238 3516 21 LYS H H 9.465 0.04 1 239 3516 21 LYS HA H 3.574 0.04 1 240 3516 21 LYS HB2 H 2.011 0.04 1 241 3516 21 LYS HB3 H 1.654 0.04 1 242 3516 21 LYS HG2 H 1.528 0.04 2 243 3516 21 LYS HG3 H 1.448 0.04 2 244 3516 21 LYS HD2 H 1.297 0.04 2 245 3516 21 LYS HD3 H 1.030 0.04 2 246 3516 21 LYS HE2 H 2.761 0.04 2 247 3516 21 LYS HE3 H 2.542 0.04 2 248 3516 21 LYS C C 176.694 0.40 1 249 3516 21 LYS CA C 58.570 0.40 1 250 3516 21 LYS CB C 29.421 0.40 1 251 3516 21 LYS CG C 29.622 0.40 1 252 3516 21 LYS CD C 25.496 0.40 1 253 3516 21 LYS CE C 41.727 0.40 1 254 3516 21 LYS N N 126.910 0.40 1 255 3517 22 ASN H H 8.509 0.04 1 256 3517 22 ASN HA H 4.882 0.04 1 257 3517 22 ASN HB2 H 2.689 0.04 1 258 3517 22 ASN HB3 H 2.968 0.04 1 259 3517 22 ASN C C 174.226 0.40 1 260 3517 22 ASN CA C 53.747 0.40 1 261 3517 22 ASN CB C 38.821 0.40 1 262 3517 22 ASN N N 123.280 0.40 1 263 3518 23 ASP H H 8.168 0.04 1 264 3518 23 ASP HA H 5.105 0.04 1 265 3518 23 ASP HB2 H 2.314 0.04 2 266 3518 23 ASP HB3 H 2.365 0.04 2 267 3518 23 ASP C C 175.654 0.40 1 268 3518 23 ASP CA C 54.764 0.40 1 269 3518 23 ASP CB C 45.336 0.40 1 270 3518 23 ASP N N 121.686 0.40 1 271 3519 24 THR H H 8.514 0.04 1 272 3519 24 THR HA H 5.763 0.04 1 273 3519 24 THR HB H 4.134 0.04 1 274 3519 24 THR HG2 H 1.115 0.04 1 275 3519 24 THR C C 173.970 0.40 1 276 3519 24 THR CA C 59.762 0.40 1 277 3519 24 THR CB C 73.458 0.40 1 278 3519 24 THR CG2 C 21.477 0.40 1 279 3519 24 THR N N 111.917 0.40 1 280 3520 25 ALA H H 8.531 0.04 1 281 3520 25 ALA HA H 4.771 0.04 1 282 3520 25 ALA HB H 0.898 0.04 1 283 3520 25 ALA C C 174.564 0.40 1 284 3520 25 ALA CA C 51.741 0.40 1 285 3520 25 ALA CB C 21.969 0.40 1 286 3520 25 ALA N N 123.276 0.40 1 287 3521 26 ALA H H 8.498 0.04 1 288 3521 26 ALA HA H 4.800 0.04 1 289 3521 26 ALA HB H 1.169 0.04 1 290 3521 26 ALA C C 176.940 0.40 1 291 3521 26 ALA CA C 51.401 0.40 1 292 3521 26 ALA CB C 18.816 0.40 1 293 3521 26 ALA N N 128.846 0.40 1 294 3522 27 VAL H H 8.809 0.04 1 295 3522 27 VAL HA H 5.262 0.04 1 296 3522 27 VAL HB H 1.899 0.04 1 297 3522 27 VAL HG1 H 0.505 0.04 1 298 3522 27 VAL HG2 H 0.743 0.04 1 299 3522 27 VAL C C 174.260 0.40 1 300 3522 27 VAL CA C 58.377 0.40 1 301 3522 27 VAL CB C 36.701 0.40 1 302 3522 27 VAL CG1 C 21.550 0.40 1 303 3522 27 VAL CG2 C 18.303 0.40 1 304 3522 27 VAL N N 114.817 0.40 1 305 3523 28 GLN H H 9.113 0.04 1 306 3523 28 GLN HA H 5.059 0.04 1 307 3523 28 GLN HB2 H 1.769 0.04 1 308 3523 28 GLN HB3 H 1.907 0.04 1 309 3523 28 GLN HG2 H 2.280 0.04 2 310 3523 28 GLN HG3 H 2.478 0.04 2 311 3523 28 GLN C C 174.250 0.40 1 312 3523 28 GLN CA C 52.988 0.40 1 313 3523 28 GLN CB C 31.408 0.40 1 314 3523 28 GLN CG C 33.149 0.40 1 315 3523 28 GLN N N 118.773 0.40 1 316 3524 29 LEU H H 8.942 0.04 1 317 3524 29 LEU HA H 5.283 0.04 1 318 3524 29 LEU HB2 H 2.008 0.04 1 319 3524 29 LEU HB3 H 1.233 0.04 1 320 3524 29 LEU HG H 1.832 0.04 1 321 3524 29 LEU HD1 H 0.673 0.04 1 322 3524 29 LEU HD2 H 0.727 0.04 1 323 3524 29 LEU C C 175.360 0.40 1 324 3524 29 LEU CA C 52.867 0.40 1 325 3524 29 LEU CB C 42.919 0.40 1 326 3524 29 LEU CG C 27.672 0.40 1 327 3524 29 LEU CD1 C 25.999 0.40 1 328 3524 29 LEU CD2 C 25.381 0.40 1 329 3524 29 LEU N N 122.610 0.40 1 330 3525 30 HIS H H 9.598 0.04 1 331 3525 30 HIS HA H 4.894 0.04 1 332 3525 30 HIS HB2 H 2.912 0.04 2 333 3525 30 HIS HB3 H 2.833 0.04 2 334 3525 30 HIS C C 175.977 0.40 1 335 3525 30 HIS CA C 55.075 0.40 1 336 3525 30 HIS CB C 29.850 0.40 1 337 3525 30 HIS N N 125.501 0.40 1 338 3526 31 PHE H H 9.399 0.04 1 339 3526 31 PHE HA H 4.258 0.04 1 340 3526 31 PHE HB2 H 2.954 0.04 2 341 3526 31 PHE HB3 H 2.921 0.04 2 342 3526 31 PHE HD1 H 6.951 0.04 3 343 3526 31 PHE C C 173.136 0.40 1 344 3526 31 PHE CA C 59.586 0.40 1 345 3526 31 PHE CB C 39.803 0.40 1 346 3526 31 PHE CD1 C 130.995 0.40 3 347 3526 31 PHE N N 126.754 0.40 1 348 3527 32 VAL H H 7.809 0.04 1 349 3527 32 VAL HA H 4.224 0.04 1 350 3527 32 VAL HB H 1.583 0.04 1 351 3527 32 VAL HG1 H 0.644 0.04 1 352 3527 32 VAL HG2 H 0.505 0.04 1 353 3527 32 VAL C C 174.659 0.40 1 354 3527 32 VAL CA C 63.910 0.40 1 355 3527 32 VAL CB C 33.079 0.40 1 356 3527 32 VAL CG1 C 22.250 0.40 1 357 3527 32 VAL CG2 C 21.435 0.40 1 358 3527 32 VAL N N 126.760 0.40 1 359 3528 33 SER H H 7.102 0.04 1 360 3528 33 SER HA H 4.314 0.04 1 361 3528 33 SER HB2 H 3.937 0.04 2 362 3528 33 SER HB3 H 3.638 0.04 2 363 3528 33 SER C C 171.815 0.40 1 364 3528 33 SER CA C 58.120 0.40 1 365 3528 33 SER CB C 64.655 0.40 1 366 3528 33 SER N N 111.049 0.40 1 367 3529 34 GLY H H 8.614 0.04 1 368 3529 34 GLY HA2 H 3.586 0.04 2 369 3529 34 GLY HA3 H 3.309 0.04 2 370 3529 34 GLY C C 173.609 0.40 1 371 3529 34 GLY CA C 44.691 0.40 1 372 3529 34 GLY N N 112.793 0.40 1 373 3530 35 ASN H H 9.188 0.04 1 374 3530 35 ASN HA H 4.839 0.04 1 375 3530 35 ASN HB2 H 3.149 0.04 1 376 3530 35 ASN HB3 H 2.840 0.04 1 377 3530 35 ASN C C 176.330 0.40 1 378 3530 35 ASN CA C 51.482 0.40 1 379 3530 35 ASN CB C 38.015 0.40 1 380 3530 35 ASN N N 123.128 0.40 1 381 3531 36 ASN H H 9.111 0.04 1 382 3531 36 ASN HA H 4.035 0.04 1 383 3531 36 ASN HB2 H 2.213 0.04 1 384 3531 36 ASN HB3 H 1.903 0.04 1 385 3531 36 ASN C C 176.382 0.40 1 386 3531 36 ASN CA C 55.960 0.40 1 387 3531 36 ASN CB C 36.736 0.40 1 388 3531 36 ASN N N 125.849 0.40 1 389 3532 37 VAL H H 7.703 0.04 1 390 3532 37 VAL HA H 3.568 0.04 1 391 3532 37 VAL HB H 2.002 0.04 1 392 3532 37 VAL HG1 H 0.873 0.04 1 393 3532 37 VAL HG2 H 1.003 0.04 1 394 3532 37 VAL C C 177.677 0.40 1 395 3532 37 VAL CA C 65.508 0.40 1 396 3532 37 VAL CB C 31.346 0.40 1 397 3532 37 VAL CG1 C 20.817 0.40 1 398 3532 37 VAL CG2 C 22.512 0.40 1 399 3532 37 VAL N N 122.888 0.40 1 400 3533 38 LEU H H 7.162 0.04 1 401 3533 38 LEU HA H 3.612 0.04 1 402 3533 38 LEU HB2 H 1.531 0.04 1 403 3533 38 LEU HB3 H 1.178 0.04 1 404 3533 38 LEU HG H 1.502 0.04 1 405 3533 38 LEU HD1 H 0.763 0.04 1 406 3533 38 LEU HD2 H 0.772 0.04 1 407 3533 38 LEU C C 179.600 0.40 1 408 3533 38 LEU CA C 57.486 0.40 1 409 3533 38 LEU CB C 41.269 0.40 1 410 3533 38 LEU CG C 27.800 0.40 1 411 3533 38 LEU CD1 C 24.754 0.40 1 412 3533 38 LEU CD2 C 23.272 0.40 1 413 3533 38 LEU N N 118.446 0.40 1 414 3534 39 ALA H H 6.851 0.04 1 415 3534 39 ALA HA H 3.683 0.04 1 416 3534 39 ALA HB H 1.368 0.04 1 417 3534 39 ALA C C 177.228 0.40 1 418 3534 39 ALA CA C 54.785 0.40 1 419 3534 39 ALA CB C 17.549 0.40 1 420 3534 39 ALA N N 121.755 0.40 1 421 3535 40 HIS H H 7.294 0.04 1 422 3535 40 HIS HA H 4.282 0.04 1 423 3535 40 HIS HB2 H 3.173 0.04 2 424 3535 40 HIS HB3 H 3.148 0.04 2 425 3535 40 HIS C C 177.806 0.40 1 426 3535 40 HIS CA C 58.338 0.40 1 427 3535 40 HIS CB C 29.896 0.40 1 428 3535 40 HIS N N 117.233 0.40 1 429 3536 41 ARG H H 7.812 0.04 1 430 3536 41 ARG HA H 4.067 0.04 1 431 3536 41 ARG HB2 H 1.799 0.04 1 432 3536 41 ARG HB3 H 1.361 0.04 1 433 3536 41 ARG HG2 H 1.794 0.04 2 434 3536 41 ARG HG3 H 1.668 0.04 2 435 3536 41 ARG HD2 H 3.142 0.04 2 436 3536 41 ARG HD3 H 2.972 0.04 2 437 3536 41 ARG C C 176.892 0.40 1 438 3536 41 ARG CA C 57.440 0.40 1 439 3536 41 ARG CB C 31.189 0.40 1 440 3536 41 ARG CG C 27.584 0.40 1 441 3536 41 ARG CD C 43.379 0.40 1 442 3536 41 ARG N N 115.282 0.40 1 443 3537 42 SER H H 7.008 0.04 1 444 3537 42 SER HA H 4.036 0.04 1 445 3537 42 SER HB2 H 3.317 0.04 1 446 3537 42 SER HB3 H 2.980 0.04 1 447 3537 42 SER C C 172.829 0.40 1 448 3537 42 SER CA C 59.705 0.40 1 449 3537 42 SER CB C 64.794 0.40 1 450 3537 42 SER N N 113.269 0.40 1 451 3538 43 LEU H H 7.004 0.04 1 452 3538 43 LEU HA H 4.322 0.04 1 453 3538 43 LEU HB2 H 1.450 0.04 2 454 3538 43 LEU HB3 H 0.273 0.04 2 455 3538 43 LEU HG H 1.379 0.04 1 456 3538 43 LEU HD1 H 0.242 0.04 1 457 3538 43 LEU HD2 H -0.144 0.04 1 458 3538 43 LEU C C 174.437 0.40 1 459 3538 43 LEU CA C 51.795 0.40 1 460 3538 43 LEU CB C 40.270 0.40 1 461 3538 43 LEU CG C 25.819 0.40 1 462 3538 43 LEU CD1 C 25.939 0.40 1 463 3538 43 LEU CD2 C 22.497 0.40 1 464 3538 43 LEU N N 123.089 0.40 1 465 3539 44 PRO HA H 4.452 0.04 1 466 3539 44 PRO HB2 H 2.339 0.04 2 467 3539 44 PRO HB3 H 2.131 0.04 2 468 3539 44 PRO HG2 H 2.008 0.04 2 469 3539 44 PRO HG3 H 2.167 0.04 2 470 3539 44 PRO HD2 H 3.487 0.04 2 471 3539 44 PRO HD3 H 2.963 0.04 2 472 3539 44 PRO C C 177.098 0.40 1 473 3539 44 PRO CA C 62.996 0.40 1 474 3539 44 PRO CB C 32.216 0.40 1 475 3539 44 PRO CG C 27.499 0.40 1 476 3539 44 PRO CD C 49.766 0.40 1 477 3540 45 LEU H H 8.378 0.04 1 478 3540 45 LEU HA H 4.429 0.04 1 479 3540 45 LEU HB2 H 1.632 0.04 2 480 3540 45 LEU HB3 H 1.656 0.04 2 481 3540 45 LEU HG H 1.723 0.04 1 482 3540 45 LEU HD1 H 0.942 0.04 1 483 3540 45 LEU HD2 H 0.919 0.04 1 484 3540 45 LEU C C 177.675 0.40 1 485 3540 45 LEU CA C 55.473 0.40 1 486 3540 45 LEU CB C 42.358 0.40 1 487 3540 45 LEU CG C 27.006 0.40 1 488 3540 45 LEU CD1 C 24.995 0.40 1 489 3540 45 LEU CD2 C 23.864 0.40 1 490 3540 45 LEU N N 124.154 0.40 1 491 3541 46 SER H H 8.227 0.04 1 492 3541 46 SER HA H 4.383 0.04 1 493 3541 46 SER HB2 H 3.812 0.04 2 494 3541 46 SER HB3 H 3.775 0.04 2 495 3541 46 SER C C 174.501 0.40 1 496 3541 46 SER CA C 59.528 0.40 1 497 3541 46 SER CB C 63.985 0.40 1 498 3541 46 SER N N 118.585 0.40 1 499 3542 47 GLU H H 8.321 0.04 1 500 3542 47 GLU HA H 4.252 0.04 1 501 3542 47 GLU HB2 H 1.943 0.04 2 502 3542 47 GLU HB3 H 1.896 0.04 2 503 3542 47 GLU HG2 H 2.127 0.04 2 504 3542 47 GLU HG3 H 2.153 0.04 2 505 3542 47 GLU C C 176.830 0.40 1 506 3542 47 GLU CA C 56.714 0.40 1 507 3542 47 GLU CB C 29.828 0.40 1 508 3542 47 GLU CG C 36.170 0.40 1 509 3542 47 GLU N N 124.434 0.40 1 510 3543 48 GLY H H 8.595 0.04 1 511 3543 48 GLY HA2 H 3.998 0.04 2 512 3543 48 GLY HA3 H 3.803 0.04 2 513 3543 48 GLY C C 174.805 0.40 1 514 3543 48 GLY CA C 45.620 0.40 1 515 3543 48 GLY N N 113.037 0.40 1 516 3544 49 GLY H H 7.945 0.04 1 517 3544 49 GLY HA2 H 4.229 0.04 2 518 3544 49 GLY HA3 H 4.049 0.04 2 519 3544 49 GLY C C 171.196 0.40 1 520 3544 49 GLY CA C 44.399 0.40 1 521 3544 49 GLY N N 110.341 0.40 1 522 3545 50 PRO HA H 4.750 0.04 1 523 3545 50 PRO HB2 H 2.333 0.04 2 524 3545 50 PRO HB3 H 2.010 0.04 2 525 3545 50 PRO CA C 61.574 0.40 1 526 3545 50 PRO CB C 30.838 0.40 1 527 3546 51 PRO HA H 4.637 0.04 1 528 3546 51 PRO HB2 H 1.501 0.04 2 529 3546 51 PRO HB3 H 1.905 0.04 2 530 3546 51 PRO HG2 H 1.693 0.04 2 531 3546 51 PRO HG3 H 1.834 0.04 2 532 3546 51 PRO HD2 H 3.554 0.04 2 533 3546 51 PRO HD3 H 3.815 0.04 2 534 3546 51 PRO C C 176.696 0.40 1 535 3546 51 PRO CA C 62.346 0.40 1 536 3546 51 PRO CB C 32.840 0.40 1 537 3546 51 PRO CG C 27.050 0.40 1 538 3546 51 PRO CD C 50.346 0.40 1 539 3547 52 LEU H H 8.583 0.04 1 540 3547 52 LEU HA H 4.352 0.04 1 541 3547 52 LEU HB2 H 1.629 0.04 1 542 3547 52 LEU HB3 H 1.359 0.04 1 543 3547 52 LEU HG H 1.506 0.04 1 544 3547 52 LEU HD1 H 0.189 0.04 1 545 3547 52 LEU HD2 H 0.458 0.04 1 546 3547 52 LEU C C 174.772 0.40 1 547 3547 52 LEU CA C 54.438 0.40 1 548 3547 52 LEU CB C 42.219 0.40 1 549 3547 52 LEU CG C 26.175 0.40 1 550 3547 52 LEU CD1 C 24.716 0.40 1 551 3547 52 LEU CD2 C 23.245 0.40 1 552 3547 52 LEU N N 125.395 0.40 1 553 3548 53 ARG H H 8.395 0.04 1 554 3548 53 ARG HA H 4.734 0.04 1 555 3548 53 ARG HB2 H 1.792 0.04 1 556 3548 53 ARG HB3 H 1.577 0.04 1 557 3548 53 ARG HG2 H 1.332 0.04 2 558 3548 53 ARG HG3 H 1.161 0.04 2 559 3548 53 ARG HD2 H 3.069 0.04 2 560 3548 53 ARG HD3 H 3.269 0.04 2 561 3548 53 ARG HE H 7.351 0.04 1 562 3548 53 ARG C C 175.518 0.40 1 563 3548 53 ARG CA C 55.125 0.40 1 564 3548 53 ARG CB C 31.943 0.40 1 565 3548 53 ARG CG C 27.391 0.40 1 566 3548 53 ARG CD C 42.453 0.40 1 567 3548 53 ARG N N 128.077 0.40 1 568 3548 53 ARG NE N 83.972 0.40 1 569 3549 54 ILE H H 8.900 0.04 1 570 3549 54 ILE HA H 3.781 0.04 1 571 3549 54 ILE HB H 2.005 0.04 1 572 3549 54 ILE HG12 H 0.791 0.04 2 573 3549 54 ILE HG13 H 1.969 0.04 2 574 3549 54 ILE HG2 H 0.982 0.04 1 575 3549 54 ILE HD1 H 1.049 0.04 1 576 3549 54 ILE C C 173.933 0.40 1 577 3549 54 ILE CA C 62.984 0.40 1 578 3549 54 ILE CB C 37.506 0.40 1 579 3549 54 ILE CG1 C 28.524 0.40 1 580 3549 54 ILE CG2 C 17.987 0.40 1 581 3549 54 ILE CD1 C 14.147 0.40 1 582 3549 54 ILE N N 129.487 0.40 1 583 3550 55 ALA H H 7.997 0.04 1 584 3550 55 ALA HA H 4.651 0.04 1 585 3550 55 ALA HB H 1.505 0.04 1 586 3550 55 ALA C C 176.744 0.40 1 587 3550 55 ALA CA C 52.023 0.40 1 588 3550 55 ALA CB C 21.884 0.40 1 589 3550 55 ALA N N 132.298 0.40 1 590 3551 56 GLN H H 7.893 0.04 1 591 3551 56 GLN HA H 4.993 0.04 1 592 3551 56 GLN HB2 H 1.654 0.04 1 593 3551 56 GLN HB3 H 1.997 0.04 1 594 3551 56 GLN HG2 H 2.189 0.04 2 595 3551 56 GLN HG3 H 2.230 0.04 2 596 3551 56 GLN C C 173.558 0.40 1 597 3551 56 GLN CA C 54.106 0.40 1 598 3551 56 GLN CB C 35.053 0.40 1 599 3551 56 GLN CG C 35.205 0.40 1 600 3551 56 GLN N N 118.501 0.40 1 601 3552 57 ARG H H 9.148 0.04 1 602 3552 57 ARG HA H 5.253 0.04 1 603 3552 57 ARG HB2 H 1.614 0.04 1 604 3552 57 ARG HB3 H 1.454 0.04 1 605 3552 57 ARG HG2 H 1.429 0.04 2 606 3552 57 ARG HG3 H 1.323 0.04 2 607 3552 57 ARG HD2 H 2.862 0.04 2 608 3552 57 ARG HD3 H 2.605 0.04 2 609 3552 57 ARG HE H 7.667 0.04 1 610 3552 57 ARG C C 172.891 0.40 1 611 3552 57 ARG CA C 54.410 0.40 1 612 3552 57 ARG CB C 33.521 0.40 1 613 3552 57 ARG CG C 27.142 0.40 1 614 3552 57 ARG CD C 42.888 0.40 1 615 3552 57 ARG N N 117.920 0.40 1 616 3552 57 ARG NE N 84.796 0.40 1 617 3553 58 MET H H 8.961 0.04 1 618 3553 58 MET HA H 4.958 0.04 1 619 3553 58 MET HB2 H 1.763 0.04 2 620 3553 58 MET HB3 H 1.763 0.04 2 621 3553 58 MET HG2 H 2.537 0.04 2 622 3553 58 MET HG3 H 2.320 0.04 2 623 3553 58 MET HE H 1.735 0.04 1 624 3553 58 MET C C 174.524 0.40 1 625 3553 58 MET CA C 53.197 0.40 1 626 3553 58 MET CB C 37.781 0.40 1 627 3553 58 MET CG C 31.080 0.40 1 628 3553 58 MET CE C 17.112 0.40 1 629 3553 58 MET N N 122.841 0.40 1 630 3554 59 ARG H H 9.064 0.04 1 631 3554 59 ARG HA H 4.308 0.04 1 632 3554 59 ARG HB2 H 1.776 0.04 1 633 3554 59 ARG HB3 H 1.878 0.04 1 634 3554 59 ARG HD2 H 3.215 0.04 2 635 3554 59 ARG HD3 H 3.238 0.04 2 636 3554 59 ARG HE H 7.608 0.04 1 637 3554 59 ARG C C 177.040 0.40 1 638 3554 59 ARG CA C 57.224 0.40 1 639 3554 59 ARG CB C 30.684 0.40 1 640 3554 59 ARG CG C 27.869 0.40 1 641 3554 59 ARG CD C 43.046 0.40 1 642 3554 59 ARG N N 128.545 0.40 1 643 3554 59 ARG NE N 87.097 0.40 1 644 3555 60 LEU H H 8.603 0.04 1 645 3555 60 LEU HA H 4.250 0.04 1 646 3555 60 LEU HB2 H 1.372 0.04 1 647 3555 60 LEU HB3 H 1.724 0.04 1 648 3555 60 LEU HG H 1.468 0.04 1 649 3555 60 LEU HD1 H 0.857 0.04 1 650 3555 60 LEU HD2 H 0.839 0.04 1 651 3555 60 LEU C C 175.786 0.40 1 652 3555 60 LEU CA C 53.351 0.40 1 653 3555 60 LEU CB C 38.776 0.40 1 654 3555 60 LEU CG C 25.858 0.40 1 655 3555 60 LEU CD1 C 25.664 0.40 1 656 3555 60 LEU CD2 C 24.177 0.40 1 657 3555 60 LEU N N 125.380 0.40 1 658 3556 61 GLU H H 7.656 0.04 1 659 3556 61 GLU HA H 4.570 0.04 1 660 3556 61 GLU HB2 H 1.990 0.04 1 661 3556 61 GLU HB3 H 2.163 0.04 1 662 3556 61 GLU HG2 H 2.288 0.04 2 663 3556 61 GLU HG3 H 2.280 0.04 2 664 3556 61 GLU C C 176.743 0.40 1 665 3556 61 GLU CA C 54.594 0.40 1 666 3556 61 GLU CB C 32.025 0.40 1 667 3556 61 GLU CG C 36.193 0.40 1 668 3556 61 GLU N N 124.732 0.40 1 669 3557 62 ALA H H 8.863 0.04 1 670 3557 62 ALA HA H 3.992 0.04 1 671 3557 62 ALA HB H 1.499 0.04 1 672 3557 62 ALA C C 179.782 0.40 1 673 3557 62 ALA CA C 56.901 0.40 1 674 3557 62 ALA CB C 18.649 0.40 1 675 3557 62 ALA N N 128.140 0.40 1 676 3558 63 THR H H 8.610 0.04 1 677 3558 63 THR HA H 4.019 0.04 1 678 3558 63 THR HB H 4.188 0.04 1 679 3558 63 THR HG2 H 1.274 0.04 1 680 3558 63 THR C C 177.455 0.40 1 681 3558 63 THR CA C 65.915 0.40 1 682 3558 63 THR CB C 68.365 0.40 1 683 3558 63 THR CG2 C 22.138 0.40 1 684 3558 63 THR N N 112.945 0.40 1 685 3559 64 GLN H H 7.713 0.04 1 686 3559 64 GLN HA H 4.228 0.04 1 687 3559 64 GLN HB2 H 2.303 0.04 1 688 3559 64 GLN HB3 H 2.421 0.04 1 689 3559 64 GLN HG2 H 2.571 0.04 2 690 3559 64 GLN HG3 H 2.572 0.04 2 691 3559 64 GLN C C 179.373 0.40 1 692 3559 64 GLN CA C 58.424 0.40 1 693 3559 64 GLN CB C 28.335 0.40 1 694 3559 64 GLN CG C 34.199 0.40 1 695 3559 64 GLN N N 123.545 0.40 1 696 3560 65 LEU H H 8.249 0.04 1 697 3560 65 LEU HA H 3.704 0.04 1 698 3560 65 LEU HB2 H 1.686 0.04 1 699 3560 65 LEU HB3 H 1.242 0.04 1 700 3560 65 LEU HG H 1.527 0.04 1 701 3560 65 LEU HD1 H 0.635 0.04 1 702 3560 65 LEU HD2 H 0.148 0.04 1 703 3560 65 LEU C C 178.858 0.40 1 704 3560 65 LEU CA C 57.473 0.40 1 705 3560 65 LEU CB C 40.268 0.40 1 706 3560 65 LEU CG C 26.422 0.40 1 707 3560 65 LEU CD1 C 25.071 0.40 1 708 3560 65 LEU CD2 C 21.548 0.40 1 709 3560 65 LEU N N 121.283 0.40 1 710 3561 66 GLU H H 8.258 0.04 1 711 3561 66 GLU HA H 4.083 0.04 1 712 3561 66 GLU HB2 H 2.014 0.04 2 713 3561 66 GLU HB3 H 2.098 0.04 2 714 3561 66 GLU HG2 H 2.403 0.04 2 715 3561 66 GLU HG3 H 2.249 0.04 2 716 3561 66 GLU C C 179.374 0.40 1 717 3561 66 GLU CA C 59.438 0.40 1 718 3561 66 GLU CB C 29.098 0.40 1 719 3561 66 GLU CG C 36.244 0.40 1 720 3561 66 GLU N N 122.073 0.40 1 721 3562 67 GLY H H 7.556 0.04 1 722 3562 67 GLY HA2 H 3.817 0.04 2 723 3562 67 GLY HA3 H 3.973 0.04 2 724 3562 67 GLY C C 176.370 0.40 1 725 3562 67 GLY CA C 46.956 0.40 1 726 3562 67 GLY N N 107.530 0.40 1 727 3563 68 VAL H H 7.500 0.04 1 728 3563 68 VAL HA H 3.708 0.04 1 729 3563 68 VAL HB H 2.151 0.04 1 730 3563 68 VAL HG1 H 0.966 0.04 1 731 3563 68 VAL HG2 H 1.053 0.04 1 732 3563 68 VAL C C 177.994 0.40 1 733 3563 68 VAL CA C 65.880 0.40 1 734 3563 68 VAL CB C 31.389 0.40 1 735 3563 68 VAL CG1 C 21.684 0.40 1 736 3563 68 VAL CG2 C 22.266 0.40 1 737 3563 68 VAL N N 124.701 0.40 1 738 3564 69 ALA H H 8.354 0.04 1 739 3564 69 ALA HA H 3.879 0.04 1 740 3564 69 ALA HB H 1.578 0.04 1 741 3564 69 ALA C C 180.915 0.40 1 742 3564 69 ALA CA C 55.089 0.40 1 743 3564 69 ALA CB C 18.045 0.40 1 744 3564 69 ALA N N 122.620 0.40 1 745 3565 70 ARG H H 8.104 0.04 1 746 3565 70 ARG HA H 4.036 0.04 1 747 3565 70 ARG HB2 H 1.966 0.04 2 748 3565 70 ARG HB3 H 1.899 0.04 2 749 3565 70 ARG HG2 H 1.787 0.04 2 750 3565 70 ARG HG3 H 1.667 0.04 2 751 3565 70 ARG HD2 H 3.256 0.04 2 752 3565 70 ARG HD3 H 3.213 0.04 2 753 3565 70 ARG C C 179.704 0.40 1 754 3565 70 ARG CA C 59.042 0.40 1 755 3565 70 ARG CB C 29.946 0.40 1 756 3565 70 ARG CG C 27.724 0.40 1 757 3565 70 ARG CD C 43.309 0.40 1 758 3565 70 ARG N N 119.255 0.40 1 759 3566 71 ARG H H 7.518 0.04 1 760 3566 71 ARG HA H 4.267 0.04 1 761 3566 71 ARG HB2 H 2.095 0.04 1 762 3566 71 ARG HB3 H 1.987 0.04 1 763 3566 71 ARG HG2 H 1.829 0.04 2 764 3566 71 ARG HG3 H 1.783 0.04 2 765 3566 71 ARG HD2 H 3.238 0.04 2 766 3566 71 ARG HD3 H 3.360 0.04 2 767 3566 71 ARG HE H 7.368 0.04 1 768 3566 71 ARG C C 176.715 0.40 1 769 3566 71 ARG CA C 57.475 0.40 1 770 3566 71 ARG CB C 29.073 0.40 1 771 3566 71 ARG CG C 27.253 0.40 1 772 3566 71 ARG CD C 42.642 0.40 1 773 3566 71 ARG N N 122.030 0.40 1 774 3566 71 ARG NE N 86.326 0.40 1 775 3567 72 MET H H 7.096 0.04 1 776 3567 72 MET HA H 3.485 0.04 1 777 3567 72 MET HB2 H 2.071 0.04 2 778 3567 72 MET HB3 H 1.515 0.04 2 779 3567 72 MET HG2 H 2.211 0.04 2 780 3567 72 MET HG3 H 1.238 0.04 2 781 3567 72 MET HE H 1.121 0.04 1 782 3567 72 MET C C 175.424 0.40 1 783 3567 72 MET CA C 55.830 0.40 1 784 3567 72 MET CB C 32.718 0.40 1 785 3567 72 MET CG C 30.849 0.40 1 786 3567 72 MET CE C 15.832 0.40 1 787 3567 72 MET N N 115.347 0.40 1 788 3568 73 THR H H 7.331 0.04 1 789 3568 73 THR HA H 4.248 0.04 1 790 3568 73 THR HB H 4.370 0.04 1 791 3568 73 THR HG2 H 1.315 0.04 1 792 3568 73 THR C C 174.362 0.40 1 793 3568 73 THR CA C 63.424 0.40 1 794 3568 73 THR CB C 70.090 0.40 1 795 3568 73 THR CG2 C 21.773 0.40 1 796 3568 73 THR N N 111.236 0.40 1 797 3569 74 VAL H H 7.599 0.04 1 798 3569 74 VAL HA H 4.414 0.04 1 799 3569 74 VAL HB H 2.177 0.04 1 800 3569 74 VAL HG1 H 1.019 0.04 1 801 3569 74 VAL HG2 H 0.961 0.04 1 802 3569 74 VAL C C 177.100 0.40 1 803 3569 74 VAL CA C 61.843 0.40 1 804 3569 74 VAL CB C 33.314 0.40 1 805 3569 74 VAL CG1 C 21.894 0.40 1 806 3569 74 VAL CG2 C 20.770 0.40 1 807 3569 74 VAL N N 124.385 0.40 1 808 3570 75 GLU H H 8.918 0.04 1 809 3570 75 GLU HA H 4.209 0.04 1 810 3570 75 GLU HB2 H 2.160 0.04 2 811 3570 75 GLU HB3 H 2.148 0.04 2 812 3570 75 GLU HG2 H 2.441 0.04 2 813 3570 75 GLU HG3 H 2.412 0.04 2 814 3570 75 GLU C C 175.651 0.40 1 815 3570 75 GLU CA C 59.680 0.40 1 816 3570 75 GLU CB C 30.353 0.40 1 817 3570 75 GLU CG C 36.651 0.40 1 818 3570 75 GLU N N 127.951 0.40 1 819 3571 76 THR H H 7.048 0.04 1 820 3571 76 THR HA H 4.123 0.04 1 821 3571 76 THR HB H 4.369 0.04 1 822 3571 76 THR HG2 H 1.262 0.04 1 823 3571 76 THR C C 177.248 0.40 1 824 3571 76 THR CA C 63.107 0.40 1 825 3571 76 THR CB C 69.940 0.40 1 826 3571 76 THR CG2 C 22.054 0.40 1 827 3571 76 THR N N 103.949 0.40 1 828 3572 77 ASP H H 8.042 0.04 1 829 3572 77 ASP HA H 4.867 0.04 1 830 3572 77 ASP HB2 H 2.969 0.04 1 831 3572 77 ASP HB3 H 3.167 0.04 1 832 3572 77 ASP C C 174.356 0.40 1 833 3572 77 ASP CA C 55.278 0.40 1 834 3572 77 ASP CB C 41.861 0.40 1 835 3572 77 ASP N N 122.254 0.40 1 836 3573 78 TYR H H 7.619 0.04 1 837 3573 78 TYR HA H 5.656 0.04 1 838 3573 78 TYR HB2 H 2.778 0.04 1 839 3573 78 TYR HB3 H 2.969 0.04 1 840 3573 78 TYR HD1 H 6.997 0.04 3 841 3573 78 TYR HE1 H 6.476 0.04 3 842 3573 78 TYR C C 172.935 0.40 1 843 3573 78 TYR CA C 55.435 0.40 1 844 3573 78 TYR CB C 41.589 0.40 1 845 3573 78 TYR CD1 C 133.697 0.40 3 846 3573 78 TYR CE1 C 118.228 0.40 3 847 3573 78 TYR N N 118.009 0.40 1 848 3574 79 CYS H H 8.738 0.04 1 849 3574 79 CYS HA H 4.438 0.04 1 850 3574 79 CYS HB2 H 2.532 0.04 2 851 3574 79 CYS HB3 H 3.101 0.04 2 852 3574 79 CYS C C 171.145 0.40 1 853 3574 79 CYS CA C 58.983 0.40 1 854 3574 79 CYS CB C 29.408 0.40 1 855 3574 79 CYS N N 120.515 0.40 1 856 3575 80 LEU H H 9.239 0.04 1 857 3575 80 LEU HA H 5.559 0.04 1 858 3575 80 LEU HB2 H 1.423 0.04 2 859 3575 80 LEU HB3 H 1.961 0.04 2 860 3575 80 LEU HG H 1.438 0.04 1 861 3575 80 LEU HD1 H 0.912 0.04 1 862 3575 80 LEU HD2 H 0.696 0.04 1 863 3575 80 LEU C C 174.409 0.40 1 864 3575 80 LEU CA C 54.519 0.40 1 865 3575 80 LEU CB C 45.872 0.40 1 866 3575 80 LEU CG C 28.355 0.40 1 867 3575 80 LEU CD1 C 26.019 0.40 1 868 3575 80 LEU CD2 C 25.324 0.40 1 869 3575 80 LEU N N 135.097 0.40 1 870 3576 81 LEU H H 9.702 0.04 1 871 3576 81 LEU HA H 5.537 0.04 1 872 3576 81 LEU HB2 H 1.578 0.04 1 873 3576 81 LEU HB3 H 1.367 0.04 1 874 3576 81 LEU HG H 1.674 0.04 1 875 3576 81 LEU HD1 H 0.738 0.04 1 876 3576 81 LEU HD2 H 0.876 0.04 1 877 3576 81 LEU C C 174.468 0.40 1 878 3576 81 LEU CA C 52.534 0.40 1 879 3576 81 LEU CB C 45.858 0.40 1 880 3576 81 LEU CG C 27.783 0.40 1 881 3576 81 LEU CD1 C 27.996 0.40 1 882 3576 81 LEU CD2 C 25.995 0.40 1 883 3576 81 LEU N N 126.789 0.40 1 884 3577 82 LEU H H 9.064 0.04 1 885 3577 82 LEU HA H 5.093 0.04 1 886 3577 82 LEU HB2 H 1.004 0.04 1 887 3577 82 LEU HB3 H 1.632 0.04 1 888 3577 82 LEU HG H 1.446 0.04 1 889 3577 82 LEU HD1 H 0.729 0.04 1 890 3577 82 LEU HD2 H 0.539 0.04 1 891 3577 82 LEU C C 175.012 0.40 1 892 3577 82 LEU CA C 53.073 0.40 1 893 3577 82 LEU CB C 46.388 0.40 1 894 3577 82 LEU CG C 27.549 0.40 1 895 3577 82 LEU CD1 C 25.012 0.40 1 896 3577 82 LEU CD2 C 26.403 0.40 1 897 3577 82 LEU N N 125.292 0.40 1 898 3578 83 ALA H H 9.429 0.04 1 899 3578 83 ALA HA H 5.541 0.04 1 900 3578 83 ALA HB H 1.115 0.04 1 901 3578 83 ALA C C 175.452 0.40 1 902 3578 83 ALA CA C 50.461 0.40 1 903 3578 83 ALA CB C 21.155 0.40 1 904 3578 83 ALA N N 131.105 0.40 1 905 3579 84 LEU H H 8.743 0.04 1 906 3579 84 LEU HA H 5.130 0.04 1 907 3579 84 LEU HB2 H 1.690 0.04 2 908 3579 84 LEU HD1 H 0.785 0.04 1 909 3579 84 LEU HD2 H 1.025 0.04 1 910 3579 84 LEU C C 173.735 0.40 1 911 3579 84 LEU CA C 51.282 0.40 1 912 3579 84 LEU CB C 44.114 0.40 1 913 3579 84 LEU CD1 C 25.647 0.40 1 914 3579 84 LEU CD2 C 23.646 0.40 1 915 3579 84 LEU N N 123.729 0.40 1 916 3580 85 PRO HA H 4.902 0.04 1 917 3580 85 PRO HB2 H 1.772 0.04 2 918 3580 85 PRO HB3 H 2.144 0.04 2 919 3580 85 PRO HG2 H 1.938 0.04 2 920 3580 85 PRO HG3 H 2.204 0.04 2 921 3580 85 PRO HD2 H 3.737 0.04 2 922 3580 85 PRO HD3 H 3.706 0.04 2 923 3580 85 PRO C C 175.032 0.40 1 924 3580 85 PRO CA C 62.716 0.40 1 925 3580 85 PRO CB C 33.013 0.40 1 926 3580 85 PRO CG C 28.639 0.40 1 927 3580 85 PRO CD C 49.843 0.40 1 928 3581 86 CYS H H 7.916 0.04 1 929 3581 86 CYS HA H 4.706 0.04 1 930 3581 86 CYS HB2 H 2.822 0.04 1 931 3581 86 CYS HB3 H 2.430 0.04 1 932 3581 86 CYS C C 171.041 0.40 1 933 3581 86 CYS CA C 55.960 0.40 1 934 3581 86 CYS CB C 30.252 0.40 1 935 3581 86 CYS N N 120.670 0.40 1 936 3582 87 GLY H H 7.805 0.04 1 937 3582 87 GLY HA2 H 3.491 0.04 2 938 3582 87 GLY HA3 H 4.304 0.04 2 939 3582 87 GLY C C 173.561 0.40 1 940 3582 87 GLY CA C 44.944 0.40 1 941 3582 87 GLY N N 105.937 0.40 1 942 3583 88 ARG H H 10.235 0.04 1 943 3583 88 ARG HA H 4.131 0.04 1 944 3583 88 ARG HB2 H 1.765 0.04 2 945 3583 88 ARG HB3 H 1.798 0.04 2 946 3583 88 ARG HG2 H 1.568 0.04 2 947 3583 88 ARG HG3 H 1.547 0.04 2 948 3583 88 ARG HD2 H 3.133 0.04 2 949 3583 88 ARG HD3 H 3.165 0.04 2 950 3583 88 ARG HE H 7.112 0.04 1 951 3583 88 ARG C C 175.463 0.40 1 952 3583 88 ARG CA C 57.735 0.40 1 953 3583 88 ARG CB C 31.038 0.40 1 954 3583 88 ARG CG C 27.138 0.40 1 955 3583 88 ARG CD C 43.181 0.40 1 956 3583 88 ARG N N 123.019 0.40 1 957 3583 88 ARG NE N 86.379 0.40 1 958 3584 89 ASP H H 7.771 0.04 1 959 3584 89 ASP HA H 4.483 0.04 1 960 3584 89 ASP HB2 H 3.014 0.04 2 961 3584 89 ASP HB3 H 2.963 0.04 2 962 3584 89 ASP C C 175.622 0.40 1 963 3584 89 ASP CA C 52.446 0.40 1 964 3584 89 ASP CB C 41.158 0.40 1 965 3584 89 ASP N N 117.290 0.40 1 966 3585 90 GLN H H 8.690 0.04 1 967 3585 90 GLN HA H 3.985 0.04 1 968 3585 90 GLN HB2 H 2.104 0.04 2 969 3585 90 GLN HB3 H 2.085 0.04 2 970 3585 90 GLN HG2 H 2.428 0.04 2 971 3585 90 GLN HG3 H 2.408 0.04 2 972 3585 90 GLN C C 177.640 0.40 1 973 3585 90 GLN CA C 59.595 0.40 1 974 3585 90 GLN CB C 28.382 0.40 1 975 3585 90 GLN CG C 34.113 0.40 1 976 3585 90 GLN N N 120.181 0.40 1 977 3586 91 GLU H H 8.261 0.04 1 978 3586 91 GLU HA H 4.062 0.04 1 979 3586 91 GLU HB2 H 2.051 0.04 2 980 3586 91 GLU HB3 H 2.032 0.04 2 981 3586 91 GLU HG2 H 2.314 0.04 2 982 3586 91 GLU HG3 H 2.293 0.04 2 983 3586 91 GLU C C 179.090 0.40 1 984 3586 91 GLU CA C 59.651 0.40 1 985 3586 91 GLU CB C 29.076 0.40 1 986 3586 91 GLU CG C 36.974 0.40 1 987 3586 91 GLU N N 121.232 0.40 1 988 3587 92 ASP H H 8.611 0.04 1 989 3587 92 ASP HA H 4.679 0.04 1 990 3587 92 ASP HB2 H 2.986 0.04 2 991 3587 92 ASP HB3 H 2.635 0.04 2 992 3587 92 ASP C C 178.415 0.40 1 993 3587 92 ASP CA C 56.740 0.40 1 994 3587 92 ASP CB C 42.257 0.40 1 995 3587 92 ASP N N 123.038 0.40 1 996 3588 93 VAL H H 8.543 0.04 1 997 3588 93 VAL HA H 3.369 0.04 1 998 3588 93 VAL HB H 2.125 0.04 1 999 3588 93 VAL HG1 H 0.819 0.04 1 1000 3588 93 VAL HG2 H 0.831 0.04 1 1001 3588 93 VAL C C 179.675 0.40 1 1002 3588 93 VAL CA C 67.179 0.40 1 1003 3588 93 VAL CB C 31.161 0.40 1 1004 3588 93 VAL CG1 C 21.070 0.40 1 1005 3588 93 VAL CG2 C 22.799 0.40 1 1006 3588 93 VAL N N 120.184 0.40 1 1007 3589 94 VAL H H 7.853 0.04 1 1008 3589 94 VAL HA H 3.655 0.04 1 1009 3589 94 VAL HB H 2.305 0.04 1 1010 3589 94 VAL HG1 H 1.000 0.04 1 1011 3589 94 VAL HG2 H 1.123 0.04 1 1012 3589 94 VAL C C 178.343 0.40 1 1013 3589 94 VAL CA C 67.405 0.40 1 1014 3589 94 VAL CB C 31.457 0.40 1 1015 3589 94 VAL CG1 C 21.169 0.40 1 1016 3589 94 VAL CG2 C 22.637 0.40 1 1017 3589 94 VAL N N 125.520 0.40 1 1018 3590 95 SER H H 7.886 0.04 1 1019 3590 95 SER HA H 4.382 0.04 1 1020 3590 95 SER HB2 H 4.323 0.04 2 1021 3590 95 SER HB3 H 4.306 0.04 2 1022 3590 95 SER C C 177.934 0.40 1 1023 3590 95 SER CA C 62.051 0.40 1 1024 3590 95 SER CB C 62.984 0.40 1 1025 3590 95 SER N N 118.343 0.40 1 1026 3591 96 GLN H H 9.036 0.04 1 1027 3591 96 GLN HA H 4.319 0.04 1 1028 3591 96 GLN HB2 H 2.584 0.04 2 1029 3591 96 GLN HB3 H 2.032 0.04 2 1030 3591 96 GLN HG2 H 3.034 0.04 2 1031 3591 96 GLN HG3 H 3.008 0.04 2 1032 3591 96 GLN C C 179.409 0.40 1 1033 3591 96 GLN CA C 57.826 0.40 1 1034 3591 96 GLN CB C 27.327 0.40 1 1035 3591 96 GLN CG C 32.184 0.40 1 1036 3591 96 GLN N N 122.278 0.40 1 1037 3592 97 THR H H 8.459 0.04 1 1038 3592 97 THR HA H 3.703 0.04 1 1039 3592 97 THR HB H 3.691 0.04 1 1040 3592 97 THR HG2 H 1.262 0.04 1 1041 3592 97 THR C C 175.604 0.40 1 1042 3592 97 THR CA C 67.516 0.40 1 1043 3592 97 THR CB C 68.285 0.40 1 1044 3592 97 THR CG2 C 21.130 0.40 1 1045 3592 97 THR N N 120.260 0.40 1 1046 3593 98 GLU H H 8.226 0.04 1 1047 3593 98 GLU HA H 4.142 0.04 1 1048 3593 98 GLU HB2 H 2.180 0.04 2 1049 3593 98 GLU HB3 H 2.170 0.04 2 1050 3593 98 GLU HG2 H 2.448 0.04 2 1051 3593 98 GLU HG3 H 2.430 0.04 2 1052 3593 98 GLU C C 179.092 0.40 1 1053 3593 98 GLU CA C 59.225 0.40 1 1054 3593 98 GLU CB C 28.716 0.40 1 1055 3593 98 GLU CG C 35.748 0.40 1 1056 3593 98 GLU N N 122.841 0.40 1 1057 3594 99 SER H H 8.156 0.04 1 1058 3594 99 SER HA H 4.476 0.04 1 1059 3594 99 SER HB2 H 4.467 0.04 2 1060 3594 99 SER HB3 H 4.178 0.04 2 1061 3594 99 SER C C 177.135 0.40 1 1062 3594 99 SER CA C 61.537 0.40 1 1063 3594 99 SER CB C 63.523 0.40 1 1064 3594 99 SER N N 116.749 0.40 1 1065 3595 100 LEU H H 8.353 0.04 1 1066 3595 100 LEU HA H 3.991 0.04 1 1067 3595 100 LEU HB2 H 1.887 0.04 2 1068 3595 100 LEU HB3 H 1.635 0.04 2 1069 3595 100 LEU HG H 1.427 0.04 1 1070 3595 100 LEU HD1 H 0.319 0.04 1 1071 3595 100 LEU HD2 H 0.556 0.04 1 1072 3595 100 LEU C C 179.697 0.40 1 1073 3595 100 LEU CA C 58.334 0.40 1 1074 3595 100 LEU CB C 41.798 0.40 1 1075 3595 100 LEU CG C 27.003 0.40 1 1076 3595 100 LEU CD1 C 22.936 0.40 1 1077 3595 100 LEU CD2 C 25.553 0.40 1 1078 3595 100 LEU N N 122.688 0.40 1 1079 3596 101 LYS H H 8.301 0.04 1 1080 3596 101 LYS HA H 4.032 0.04 1 1081 3596 101 LYS HB2 H 2.055 0.04 2 1082 3596 101 LYS HB3 H 1.804 0.04 2 1083 3596 101 LYS HG2 H 1.626 0.04 2 1084 3596 101 LYS HG3 H 1.452 0.04 2 1085 3596 101 LYS HD2 H 1.767 0.04 2 1086 3596 101 LYS HD3 H 1.655 0.04 2 1087 3596 101 LYS HE2 H 2.953 0.04 2 1088 3596 101 LYS HE3 H 2.933 0.04 2 1089 3596 101 LYS C C 177.891 0.40 1 1090 3596 101 LYS CA C 60.306 0.40 1 1091 3596 101 LYS CB C 33.382 0.40 1 1092 3596 101 LYS CG C 25.006 0.40 1 1093 3596 101 LYS CD C 29.576 0.40 1 1094 3596 101 LYS CE C 41.703 0.40 1 1095 3596 101 LYS N N 118.913 0.40 1 1096 3597 102 ALA H H 8.918 0.04 1 1097 3597 102 ALA HA H 4.198 0.04 1 1098 3597 102 ALA HB H 1.548 0.04 1 1099 3597 102 ALA C C 178.586 0.40 1 1100 3597 102 ALA CA C 55.317 0.40 1 1101 3597 102 ALA CB C 19.504 0.40 1 1102 3597 102 ALA N N 123.454 0.40 1 1103 3598 103 ALA H H 8.647 0.04 1 1104 3598 103 ALA HA H 4.440 0.04 1 1105 3598 103 ALA HB H 1.351 0.04 1 1106 3598 103 ALA C C 176.565 0.40 1 1107 3598 103 ALA CA C 52.781 0.40 1 1108 3598 103 ALA CB C 19.431 0.40 1 1109 3598 103 ALA N N 119.002 0.40 1 1110 3599 104 PHE H H 7.018 0.04 1 1111 3599 104 PHE HA H 4.497 0.04 1 1112 3599 104 PHE HB2 H 3.934 0.04 1 1113 3599 104 PHE HB3 H 2.448 0.04 1 1114 3599 104 PHE HD1 H 7.103 0.04 3 1115 3599 104 PHE C C 176.359 0.40 1 1116 3599 104 PHE CA C 59.360 0.40 1 1117 3599 104 PHE CB C 39.913 0.40 1 1118 3599 104 PHE CD1 C 130.700 0.40 3 1119 3599 104 PHE N N 113.000 0.40 1 1120 3600 105 ILE H H 8.861 0.04 1 1121 3600 105 ILE HA H 3.440 0.04 1 1122 3600 105 ILE HB H 2.292 0.04 1 1123 3600 105 ILE HG2 H 0.948 0.04 1 1124 3600 105 ILE HD1 H 0.897 0.04 1 1125 3600 105 ILE C C 177.510 0.40 1 1126 3600 105 ILE CA C 67.568 0.40 1 1127 3600 105 ILE CB C 37.405 0.40 1 1128 3600 105 ILE CG1 C 31.477 0.40 1 1129 3600 105 ILE CG2 C 17.092 0.40 1 1130 3600 105 ILE CD1 C 15.020 0.40 1 1131 3600 105 ILE N N 121.322 0.40 1 1132 3601 106 THR H H 8.067 0.04 1 1133 3601 106 THR HA H 3.944 0.04 1 1134 3601 106 THR HB H 3.936 0.04 1 1135 3601 106 THR HG2 H 1.298 0.04 1 1136 3601 106 THR C C 175.925 0.40 1 1137 3601 106 THR CA C 67.078 0.40 1 1138 3601 106 THR CB C 68.720 0.40 1 1139 3601 106 THR CG2 C 21.195 0.40 1 1140 3601 106 THR N N 114.506 0.40 1 1141 3602 107 TYR H H 6.201 0.04 1 1142 3602 107 TYR HA H 4.121 0.04 1 1143 3602 107 TYR HB2 H 2.665 0.04 1 1144 3602 107 TYR HB3 H 2.990 0.04 1 1145 3602 107 TYR HD1 H 6.889 0.04 3 1146 3602 107 TYR HE1 H 6.554 0.04 3 1147 3602 107 TYR C C 176.138 0.40 1 1148 3602 107 TYR CA C 61.508 0.40 1 1149 3602 107 TYR CB C 38.848 0.40 1 1150 3602 107 TYR CD1 C 133.712 0.40 3 1151 3602 107 TYR CE1 C 116.857 0.40 3 1152 3602 107 TYR N N 121.584 0.40 1 1153 3603 108 LEU H H 8.135 0.04 1 1154 3603 108 LEU HA H 3.751 0.04 1 1155 3603 108 LEU HD1 H 0.859 0.04 1 1156 3603 108 LEU HD2 H 0.728 0.04 1 1157 3603 108 LEU C C 179.808 0.40 1 1158 3603 108 LEU CA C 58.230 0.40 1 1159 3603 108 LEU CB C 39.665 0.40 1 1160 3603 108 LEU CG C 24.858 0.40 1 1161 3603 108 LEU CD1 C 25.351 0.40 1 1162 3603 108 LEU CD2 C 20.480 0.40 1 1163 3603 108 LEU N N 119.389 0.40 1 1164 3604 109 GLN H H 8.650 0.04 1 1165 3604 109 GLN HA H 4.101 0.04 1 1166 3604 109 GLN HB2 H 2.248 0.04 2 1167 3604 109 GLN HB3 H 1.970 0.04 2 1168 3604 109 GLN HG2 H 2.700 0.04 2 1169 3604 109 GLN HG3 H 2.325 0.04 2 1170 3604 109 GLN C C 179.832 0.40 1 1171 3604 109 GLN CA C 59.248 0.40 1 1172 3604 109 GLN CB C 27.702 0.40 1 1173 3604 109 GLN CG C 35.011 0.40 1 1174 3604 109 GLN N N 117.490 0.40 1 1175 3605 110 ALA H H 8.275 0.04 1 1176 3605 110 ALA HA H 4.102 0.04 1 1177 3605 110 ALA HB H 1.465 0.04 1 1178 3605 110 ALA C C 180.351 0.40 1 1179 3605 110 ALA CA C 55.219 0.40 1 1180 3605 110 ALA CB C 17.813 0.40 1 1181 3605 110 ALA N N 125.542 0.40 1 1182 3606 111 LYS H H 7.611 0.04 1 1183 3606 111 LYS HA H 4.030 0.04 1 1184 3606 111 LYS HB2 H 1.327 0.04 1 1185 3606 111 LYS HB3 H 1.575 0.04 1 1186 3606 111 LYS HG2 H 0.929 0.04 2 1187 3606 111 LYS HG3 H 0.574 0.04 2 1188 3606 111 LYS HD2 H 1.323 0.04 2 1189 3606 111 LYS HD3 H 1.157 0.04 2 1190 3606 111 LYS HE2 H 2.798 0.04 2 1191 3606 111 LYS HE3 H 2.617 0.04 2 1192 3606 111 LYS C C 174.972 0.40 1 1193 3606 111 LYS CA C 53.994 0.40 1 1194 3606 111 LYS CB C 31.799 0.40 1 1195 3606 111 LYS CG C 23.794 0.40 1 1196 3606 111 LYS CD C 27.526 0.40 1 1197 3606 111 LYS CE C 42.055 0.40 1 1198 3606 111 LYS N N 115.775 0.40 1 1199 3607 112 GLN H H 7.750 0.04 1 1200 3607 112 GLN HA H 3.735 0.04 1 1201 3607 112 GLN HB2 H 2.174 0.04 2 1202 3607 112 GLN HB3 H 2.173 0.04 2 1203 3607 112 GLN HG2 H 2.375 0.04 2 1204 3607 112 GLN HG3 H 2.308 0.04 2 1205 3607 112 GLN C C 173.721 0.40 1 1206 3607 112 GLN CA C 56.152 0.40 1 1207 3607 112 GLN CB C 26.995 0.40 1 1208 3607 112 GLN CG C 34.315 0.40 1 1209 3607 112 GLN N N 120.573 0.40 1 1210 3608 113 ALA H H 8.306 0.04 1 1211 3608 113 ALA HA H 5.197 0.04 1 1212 3608 113 ALA HB H 0.980 0.04 1 1213 3608 113 ALA C C 173.755 0.40 1 1214 3608 113 ALA CA C 50.715 0.40 1 1215 3608 113 ALA CB C 24.546 0.40 1 1216 3608 113 ALA N N 122.030 0.40 1 1217 3609 114 ALA H H 8.497 0.04 1 1218 3609 114 ALA HA H 4.829 0.04 1 1219 3609 114 ALA HB H 0.394 0.04 1 1220 3609 114 ALA C C 179.072 0.40 1 1221 3609 114 ALA CA C 49.068 0.40 1 1222 3609 114 ALA CB C 20.209 0.40 1 1223 3609 114 ALA N N 117.639 0.40 1 1224 3610 115 GLY H H 9.510 0.04 1 1225 3610 115 GLY HA2 H 4.299 0.04 2 1226 3610 115 GLY HA3 H 3.146 0.04 2 1227 3610 115 GLY C C 171.128 0.40 1 1228 3610 115 GLY CA C 44.769 0.40 1 1229 3610 115 GLY N N 109.563 0.40 1 1230 3611 116 ILE H H 8.073 0.04 1 1231 3611 116 ILE HA H 4.981 0.04 1 1232 3611 116 ILE HB H 1.224 0.04 1 1233 3611 116 ILE HG2 H 0.208 0.04 1 1234 3611 116 ILE HD1 H 0.276 0.04 1 1235 3611 116 ILE C C 175.436 0.40 1 1236 3611 116 ILE CA C 57.440 0.40 1 1237 3611 116 ILE CB C 38.786 0.40 1 1238 3611 116 ILE CG1 C 24.333 0.40 1 1239 3611 116 ILE CG2 C 16.064 0.40 1 1240 3611 116 ILE CD1 C 9.868 0.40 1 1241 3611 116 ILE N N 124.912 0.40 1 1242 3612 117 ILE H H 8.400 0.04 1 1243 3612 117 ILE HA H 4.232 0.04 1 1244 3612 117 ILE HB H 1.679 0.04 1 1245 3612 117 ILE HG12 H 1.358 0.04 2 1246 3612 117 ILE HG13 H 1.225 0.04 2 1247 3612 117 ILE HG2 H 0.814 0.04 1 1248 3612 117 ILE HD1 H 0.547 0.04 1 1249 3612 117 ILE C C 174.372 0.40 1 1250 3612 117 ILE CA C 61.089 0.40 1 1251 3612 117 ILE CB C 41.239 0.40 1 1252 3612 117 ILE CG1 C 27.201 0.40 1 1253 3612 117 ILE CG2 C 16.460 0.40 1 1254 3612 117 ILE CD1 C 14.858 0.40 1 1255 3612 117 ILE N N 127.487 0.40 1 1256 3613 118 ASN H H 8.909 0.04 1 1257 3613 118 ASN HA H 5.207 0.04 1 1258 3613 118 ASN HB2 H 2.650 0.04 1 1259 3613 118 ASN HB3 H 2.397 0.04 1 1260 3613 118 ASN C C 174.824 0.40 1 1261 3613 118 ASN CA C 53.014 0.40 1 1262 3613 118 ASN CB C 40.675 0.40 1 1263 3613 118 ASN N N 127.796 0.40 1 1264 3614 119 VAL H H 8.838 0.04 1 1265 3614 119 VAL HA H 4.565 0.04 1 1266 3614 119 VAL HG1 H 1.117 0.04 1 1267 3614 119 VAL HG2 H 0.867 0.04 1 1268 3614 119 VAL C C 174.156 0.40 1 1269 3614 119 VAL CA C 59.691 0.40 1 1270 3614 119 VAL CB C 33.945 0.40 1 1271 3614 119 VAL CG1 C 20.661 0.40 2 1272 3614 119 VAL CG2 C 20.379 0.40 2 1273 3614 119 VAL N N 126.700 0.40 1 1274 3615 120 PRO HA H 4.718 0.04 1 1275 3615 120 PRO HB2 H 1.984 0.04 2 1276 3615 120 PRO HB3 H 1.981 0.04 2 1277 3615 120 PRO HG2 H 1.927 0.04 2 1278 3615 120 PRO HG3 H 1.904 0.04 2 1279 3615 120 PRO HD2 H 3.815 0.04 2 1280 3615 120 PRO HD3 H 3.801 0.04 2 1281 3615 120 PRO C C 176.382 0.40 1 1282 3615 120 PRO CA C 62.654 0.40 1 1283 3615 120 PRO CB C 32.605 0.40 1 1284 3615 120 PRO CG C 26.575 0.40 1 1285 3615 120 PRO CD C 51.216 0.40 1 1286 3616 121 ASN H H 8.516 0.04 1 1287 3616 121 ASN HA H 4.947 0.04 1 1288 3616 121 ASN C C 173.572 0.40 1 1289 3616 121 ASN CA C 51.472 0.40 1 1290 3616 121 ASN CB C 38.700 0.40 1 1291 3616 121 ASN N N 121.475 0.40 1 1292 3617 122 PRO HA H 4.347 0.04 1 1293 3617 122 PRO HG2 H 2.073 0.04 2 1294 3617 122 PRO HG3 H 1.904 0.04 2 1295 3617 122 PRO HD2 H 3.901 0.04 2 1296 3617 122 PRO HD3 H 3.700 0.04 2 1297 3617 122 PRO C C 177.684 0.40 1 1298 3617 122 PRO CA C 64.152 0.40 1 1299 3617 122 PRO CB C 31.662 0.40 1 1300 3617 122 PRO CG C 27.584 0.40 1 1301 3617 122 PRO CD C 50.537 0.40 1 1302 3618 123 GLY H H 8.543 0.04 1 1303 3618 123 GLY HA2 H 4.049 0.04 2 1304 3618 123 GLY HA3 H 3.819 0.04 2 1305 3618 123 GLY C C 173.800 0.40 1 1306 3618 123 GLY CA C 45.411 0.40 1 1307 3618 123 GLY N N 112.030 0.40 1 1308 3619 124 SER H H 7.980 0.04 1 1309 3619 124 SER HA H 4.641 0.04 1 1310 3619 124 SER HB2 H 3.767 0.04 2 1311 3619 124 SER HB3 H 3.870 0.04 2 1312 3619 124 SER C C 173.718 0.40 1 1313 3619 124 SER CA C 57.069 0.40 1 1314 3619 124 SER CB C 64.855 0.40 1 1315 3619 124 SER N N 116.441 0.40 1 1316 3622 127 PRO HA H 4.022 0.04 1 1317 3622 127 PRO HB2 H 2.086 0.04 2 1318 3622 127 PRO HB3 H 1.727 0.04 2 1319 3622 127 PRO HG2 H 1.846 0.04 2 1320 3622 127 PRO HG3 H 1.970 0.04 2 1321 3622 127 PRO HD2 H 3.812 0.04 2 1322 3622 127 PRO HD3 H 3.577 0.04 2 1323 3622 127 PRO C C 174.870 0.40 1 1324 3622 127 PRO CA C 64.005 0.40 1 1325 3622 127 PRO CB C 32.257 0.40 1 1326 3622 127 PRO CG C 27.450 0.40 1 1327 3622 127 PRO CD C 50.438 0.40 1 1328 3623 128 ALA H H 8.698 0.04 1 1329 3623 128 ALA HA H 4.322 0.04 1 1330 3623 128 ALA HB H 1.085 0.04 1 1331 3623 128 ALA C C 176.599 0.40 1 1332 3623 128 ALA CA C 52.573 0.40 1 1333 3623 128 ALA CB C 21.410 0.40 1 1334 3623 128 ALA N N 126.250 0.40 1 1335 3624 129 TYR H H 8.131 0.04 1 1336 3624 129 TYR HA H 5.230 0.04 1 1337 3624 129 TYR HB2 H 2.510 0.04 1 1338 3624 129 TYR HB3 H 2.736 0.04 1 1339 3624 129 TYR HD1 H 6.734 0.04 3 1340 3624 129 TYR HE1 H 6.614 0.04 3 1341 3624 129 TYR C C 173.827 0.40 1 1342 3624 129 TYR CA C 56.148 0.40 1 1343 3624 129 TYR CB C 42.532 0.40 1 1344 3624 129 TYR CD1 C 133.100 0.40 3 1345 3624 129 TYR CE1 C 117.790 0.40 3 1346 3624 129 TYR N N 117.461 0.40 1 1347 3625 130 VAL H H 9.029 0.04 1 1348 3625 130 VAL HA H 4.992 0.04 1 1349 3625 130 VAL HB H 1.893 0.04 1 1350 3625 130 VAL HG1 H 0.861 0.04 1 1351 3625 130 VAL HG2 H 0.876 0.04 1 1352 3625 130 VAL C C 173.617 0.40 1 1353 3625 130 VAL CA C 59.841 0.40 1 1354 3625 130 VAL CB C 35.278 0.40 1 1355 3625 130 VAL CG1 C 20.333 0.40 1 1356 3625 130 VAL CG2 C 21.399 0.40 1 1357 3625 130 VAL N N 121.520 0.40 1 1358 3626 131 LEU H H 9.111 0.04 1 1359 3626 131 LEU HA H 4.837 0.04 1 1360 3626 131 LEU HB2 H 1.657 0.04 2 1361 3626 131 LEU HB3 H 1.149 0.04 2 1362 3626 131 LEU HG H 1.484 0.04 1 1363 3626 131 LEU HD1 H 0.641 0.04 1 1364 3626 131 LEU HD2 H 0.500 0.04 1 1365 3626 131 LEU C C 175.284 0.40 1 1366 3626 131 LEU CA C 55.055 0.40 1 1367 3626 131 LEU CB C 42.589 0.40 1 1368 3626 131 LEU CG C 29.567 0.40 1 1369 3626 131 LEU CD1 C 24.534 0.40 1 1370 3626 131 LEU CD2 C 26.310 0.40 1 1371 3626 131 LEU N N 128.315 0.40 1 1372 3627 132 GLN H H 8.784 0.04 1 1373 3627 132 GLN HA H 4.817 0.04 1 1374 3627 132 GLN HB2 H 2.354 0.04 1 1375 3627 132 GLN HB3 H 1.462 0.04 1 1376 3627 132 GLN HG2 H 1.835 0.04 2 1377 3627 132 GLN HG3 H 2.165 0.04 2 1378 3627 132 GLN C C 174.746 0.40 1 1379 3627 132 GLN CA C 54.222 0.40 1 1380 3627 132 GLN CB C 30.661 0.40 1 1381 3627 132 GLN CG C 34.374 0.40 1 1382 3627 132 GLN N N 123.412 0.40 1 1383 3628 133 ILE H H 9.438 0.04 1 1384 3628 133 ILE HA H 4.437 0.04 1 1385 3628 133 ILE HB H 1.523 0.04 1 1386 3628 133 ILE HG12 H 1.344 0.04 2 1387 3628 133 ILE HG13 H 0.866 0.04 2 1388 3628 133 ILE HG2 H 0.727 0.04 1 1389 3628 133 ILE HD1 H 0.623 0.04 1 1390 3628 133 ILE C C 173.697 0.40 1 1391 3628 133 ILE CA C 60.872 0.40 1 1392 3628 133 ILE CB C 39.278 0.40 1 1393 3628 133 ILE CG1 C 27.356 0.40 1 1394 3628 133 ILE CG2 C 19.043 0.40 1 1395 3628 133 ILE CD1 C 14.148 0.40 1 1396 3628 133 ILE N N 125.895 0.40 1 1397 3629 134 PHE H H 10.038 0.04 1 1398 3629 134 PHE HA H 4.908 0.04 1 1399 3629 134 PHE HB2 H 3.197 0.04 2 1400 3629 134 PHE HB3 H 3.264 0.04 2 1401 3629 134 PHE HD2 H 7.283 0.04 3 1402 3629 134 PHE C C 174.363 0.40 1 1403 3629 134 PHE CA C 55.916 0.40 1 1404 3629 134 PHE CB C 39.847 0.40 1 1405 3629 134 PHE CD2 C 132.032 0.40 3 1406 3629 134 PHE N N 127.813 0.40 1 1407 3630 135 PRO HA H 5.018 0.04 1 1408 3630 135 PRO HB2 H 2.079 0.04 2 1409 3630 135 PRO HB3 H 2.173 0.04 2 1410 3630 135 PRO CA C 61.341 0.40 1 1411 3630 135 PRO CB C 31.002 0.40 1 1412 3631 136 PRO HA H 4.539 0.04 1 1413 3631 136 PRO HB2 H 2.200 0.04 2 1414 3631 136 PRO HB3 H 1.688 0.04 2 1415 3631 136 PRO HG2 H 0.784 0.04 2 1416 3631 136 PRO HG3 H 1.925 0.04 2 1417 3631 136 PRO HD2 H 3.937 0.04 2 1418 3631 136 PRO HD3 H 3.303 0.04 2 1419 3631 136 PRO C C 177.091 0.40 1 1420 3631 136 PRO CA C 63.935 0.40 1 1421 3631 136 PRO CB C 30.905 0.40 1 1422 3631 136 PRO CG C 28.002 0.40 1 1423 3631 136 PRO CD C 50.757 0.40 1 1424 3632 137 CYS H H 8.867 0.04 1 1425 3632 137 CYS HA H 4.907 0.04 1 1426 3632 137 CYS HB2 H 3.138 0.04 1 1427 3632 137 CYS HB3 H 3.590 0.04 1 1428 3632 137 CYS C C 173.503 0.40 1 1429 3632 137 CYS CA C 56.396 0.40 1 1430 3632 137 CYS CB C 29.725 0.40 1 1431 3632 137 CYS N N 122.241 0.40 1 1432 3633 138 GLU H H 9.046 0.04 1 1433 3633 138 GLU HA H 4.024 0.04 1 1434 3633 138 GLU HB2 H 2.103 0.04 2 1435 3633 138 GLU HB3 H 2.128 0.04 2 1436 3633 138 GLU HG2 H 2.333 0.04 2 1437 3633 138 GLU HG3 H 2.269 0.04 2 1438 3633 138 GLU C C 178.788 0.40 1 1439 3633 138 GLU CA C 60.580 0.40 1 1440 3633 138 GLU CB C 29.046 0.40 1 1441 3633 138 GLU CG C 36.496 0.40 1 1442 3633 138 GLU N N 123.904 0.40 1 1443 3634 139 PHE H H 8.627 0.04 1 1444 3634 139 PHE HA H 4.195 0.04 1 1445 3634 139 PHE HB2 H 3.304 0.04 1 1446 3634 139 PHE HB3 H 2.836 0.04 1 1447 3634 139 PHE HD1 H 6.585 0.04 3 1448 3634 139 PHE C C 177.483 0.40 1 1449 3634 139 PHE CA C 62.024 0.40 1 1450 3634 139 PHE CB C 40.116 0.40 1 1451 3634 139 PHE CD1 C 132.141 0.40 3 1452 3634 139 PHE N N 121.354 0.40 1 1453 3635 140 SER H H 7.995 0.04 1 1454 3635 140 SER HA H 3.956 0.04 1 1455 3635 140 SER C C 175.834 0.40 1 1456 3635 140 SER CA C 60.910 0.40 1 1457 3635 140 SER CB C 62.753 0.40 1 1458 3635 140 SER N N 118.790 0.40 1 1459 3636 141 GLU H H 8.577 0.04 1 1460 3636 141 GLU HA H 3.820 0.04 1 1461 3636 141 GLU HB2 H 2.031 0.04 2 1462 3636 141 GLU HB3 H 2.062 0.04 2 1463 3636 141 GLU HG2 H 2.273 0.04 2 1464 3636 141 GLU HG3 H 2.173 0.04 2 1465 3636 141 GLU C C 179.233 0.40 1 1466 3636 141 GLU CA C 59.949 0.40 1 1467 3636 141 GLU CB C 29.147 0.40 1 1468 3636 141 GLU CG C 36.477 0.40 1 1469 3636 141 GLU N N 126.052 0.40 1 1470 3637 142 SER H H 8.190 0.04 1 1471 3637 142 SER HA H 3.931 0.04 1 1472 3637 142 SER C C 177.185 0.40 1 1473 3637 142 SER CA C 61.304 0.40 1 1474 3637 142 SER CB C 62.687 0.40 1 1475 3637 142 SER N N 115.849 0.40 1 1476 3638 143 HIS H H 7.126 0.04 1 1477 3638 143 HIS HA H 4.115 0.04 1 1478 3638 143 HIS HB2 H 2.487 0.04 2 1479 3638 143 HIS HB3 H 2.244 0.04 2 1480 3638 143 HIS C C 177.847 0.40 1 1481 3638 143 HIS CA C 60.927 0.40 1 1482 3638 143 HIS CB C 30.718 0.40 1 1483 3638 143 HIS N N 120.595 0.40 1 1484 3639 144 LEU H H 8.788 0.04 1 1485 3639 144 LEU HA H 3.855 0.04 1 1486 3639 144 LEU HB2 H 1.921 0.04 1 1487 3639 144 LEU HB3 H 1.035 0.04 1 1488 3639 144 LEU HG H 1.893 0.04 1 1489 3639 144 LEU HD1 H 0.688 0.04 1 1490 3639 144 LEU HD2 H 0.586 0.04 1 1491 3639 144 LEU C C 178.575 0.40 1 1492 3639 144 LEU CA C 58.324 0.40 1 1493 3639 144 LEU CB C 41.875 0.40 1 1494 3639 144 LEU CG C 27.113 0.40 1 1495 3639 144 LEU CD1 C 25.931 0.40 1 1496 3639 144 LEU CD2 C 23.058 0.40 1 1497 3639 144 LEU N N 121.098 0.40 1 1498 3640 145 SER H H 8.145 0.04 1 1499 3640 145 SER HA H 3.794 0.04 1 1500 3640 145 SER C C 174.769 0.40 1 1501 3640 145 SER CA C 61.764 0.40 1 1502 3640 145 SER CB C 62.635 0.40 1 1503 3640 145 SER N N 115.007 0.40 1 1504 3641 146 ARG H H 6.881 0.04 1 1505 3641 146 ARG HA H 4.122 0.04 1 1506 3641 146 ARG HB2 H 1.749 0.04 2 1507 3641 146 ARG HB3 H 1.876 0.04 2 1508 3641 146 ARG HD2 H 3.258 0.04 2 1509 3641 146 ARG HD3 H 2.992 0.04 2 1510 3641 146 ARG HE H 6.941 0.04 1 1511 3641 146 ARG C C 177.975 0.40 1 1512 3641 146 ARG CA C 58.170 0.40 1 1513 3641 146 ARG CB C 31.528 0.40 1 1514 3641 146 ARG CG C 27.595 0.40 1 1515 3641 146 ARG CD C 43.164 0.40 1 1516 3641 146 ARG N N 120.415 0.40 1 1517 3641 146 ARG NE N 83.835 0.40 1 1518 3642 147 LEU H H 7.898 0.04 1 1519 3642 147 LEU HA H 4.303 0.04 1 1520 3642 147 LEU HB2 H 1.525 0.04 1 1521 3642 147 LEU HB3 H 1.356 0.04 1 1522 3642 147 LEU HG H 1.648 0.04 1 1523 3642 147 LEU HD1 H 0.822 0.04 1 1524 3642 147 LEU HD2 H 0.945 0.04 1 1525 3642 147 LEU C C 177.144 0.40 1 1526 3642 147 LEU CA C 56.011 0.40 1 1527 3642 147 LEU CB C 44.430 0.40 1 1528 3642 147 LEU CG C 27.480 0.40 1 1529 3642 147 LEU CD1 C 26.100 0.40 1 1530 3642 147 LEU CD2 C 22.334 0.40 1 1531 3642 147 LEU N N 118.428 0.40 1 1532 3643 148 ALA H H 8.572 0.04 1 1533 3643 148 ALA HA H 4.934 0.04 1 1534 3643 148 ALA HB H 1.024 0.04 1 1535 3643 148 ALA C C 173.251 0.40 1 1536 3643 148 ALA CA C 50.854 0.40 1 1537 3643 148 ALA CB C 20.298 0.40 1 1538 3643 148 ALA N N 123.987 0.40 1 1539 3644 149 PRO HA H 4.100 0.04 1 1540 3644 149 PRO HB2 H 1.941 0.04 2 1541 3644 149 PRO HB3 H 2.595 0.04 2 1542 3644 149 PRO HG2 H 2.069 0.04 2 1543 3644 149 PRO HG3 H 2.101 0.04 2 1544 3644 149 PRO HD2 H 3.595 0.04 2 1545 3644 149 PRO HD3 H 3.331 0.04 2 1546 3644 149 PRO C C 179.163 0.40 1 1547 3644 149 PRO CA C 65.598 0.40 1 1548 3644 149 PRO CB C 30.772 0.40 1 1549 3644 149 PRO CG C 27.514 0.40 1 1550 3644 149 PRO CD C 50.113 0.40 1 1551 3645 150 ASP H H 8.834 0.04 1 1552 3645 150 ASP HA H 4.288 0.04 1 1553 3645 150 ASP HB2 H 2.803 0.04 2 1554 3645 150 ASP HB3 H 2.598 0.04 2 1555 3645 150 ASP C C 177.847 0.40 1 1556 3645 150 ASP CA C 55.473 0.40 1 1557 3645 150 ASP CB C 38.210 0.40 1 1558 3645 150 ASP N N 118.667 0.40 1 1559 3646 151 LEU H H 7.371 0.04 1 1560 3646 151 LEU HA H 3.888 0.04 1 1561 3646 151 LEU HB2 H 1.562 0.04 1 1562 3646 151 LEU HB3 H 0.940 0.04 1 1563 3646 151 LEU HG H 0.972 0.04 1 1564 3646 151 LEU HD1 H 0.304 0.04 1 1565 3646 151 LEU HD2 H 0.100 0.04 1 1566 3646 151 LEU C C 178.543 0.40 1 1567 3646 151 LEU CA C 57.123 0.40 1 1568 3646 151 LEU CB C 41.517 0.40 1 1569 3646 151 LEU CG C 26.354 0.40 1 1570 3646 151 LEU CD1 C 22.226 0.40 1 1571 3646 151 LEU CD2 C 25.320 0.40 1 1572 3646 151 LEU N N 126.229 0.40 1 1573 3647 152 LEU H H 7.951 0.04 1 1574 3647 152 LEU HA H 3.718 0.04 1 1575 3647 152 LEU HB2 H 1.637 0.04 2 1576 3647 152 LEU HB3 H 1.156 0.04 2 1577 3647 152 LEU HD1 H 0.705 0.04 1 1578 3647 152 LEU C C 178.521 0.40 1 1579 3647 152 LEU CA C 57.473 0.40 1 1580 3647 152 LEU CB C 41.356 0.40 1 1581 3647 152 LEU CG C 26.659 0.40 1 1582 3647 152 LEU CD1 C 23.052 0.40 1 1583 3647 152 LEU CD2 C 22.876 0.40 1 1584 3647 152 LEU N N 120.358 0.40 1 1585 3648 153 ALA H H 7.828 0.04 1 1586 3648 153 ALA HA H 4.040 0.04 1 1587 3648 153 ALA HB H 1.405 0.04 1 1588 3648 153 ALA C C 179.478 0.40 1 1589 3648 153 ALA CA C 54.533 0.40 1 1590 3648 153 ALA CB C 18.018 0.40 1 1591 3648 153 ALA N N 120.709 0.40 1 1592 3649 154 SER H H 7.346 0.04 1 1593 3649 154 SER HA H 4.272 0.04 1 1594 3649 154 SER C C 174.737 0.40 1 1595 3649 154 SER CA C 60.853 0.40 1 1596 3649 154 SER CB C 64.061 0.40 1 1597 3649 154 SER N N 113.490 0.40 1 1598 3650 155 ILE H H 7.346 0.04 1 1599 3650 155 ILE HA H 4.340 0.04 1 1600 3650 155 ILE HB H 1.844 0.04 1 1601 3650 155 ILE HG12 H 1.199 0.04 2 1602 3650 155 ILE HG13 H 1.156 0.04 2 1603 3650 155 ILE HG2 H 0.649 0.04 1 1604 3650 155 ILE HD1 H 0.192 0.04 1 1605 3650 155 ILE C C 176.935 0.40 1 1606 3650 155 ILE CA C 61.564 0.40 1 1607 3650 155 ILE CB C 39.130 0.40 1 1608 3650 155 ILE CG1 C 25.854 0.40 1 1609 3650 155 ILE CG2 C 17.315 0.40 1 1610 3650 155 ILE CD1 C 13.453 0.40 1 1611 3650 155 ILE N N 115.583 0.40 1 1612 3651 156 SER H H 8.001 0.04 1 1613 3651 156 SER HA H 4.125 0.04 1 1614 3651 156 SER C C 175.270 0.40 1 1615 3651 156 SER CA C 60.261 0.40 1 1616 3651 156 SER CB C 63.041 0.40 1 1617 3651 156 SER N N 119.372 0.40 1 1618 3652 157 ASN H H 8.768 0.04 1 1619 3652 157 ASN HA H 4.456 0.04 1 1620 3652 157 ASN HB2 H 2.855 0.04 2 1621 3652 157 ASN HB3 H 2.931 0.04 2 1622 3652 157 ASN C C 175.043 0.40 1 1623 3652 157 ASN CA C 54.885 0.40 1 1624 3652 157 ASN CB C 38.181 0.40 1 1625 3652 157 ASN N N 121.043 0.40 1 1626 3653 158 ILE H H 7.809 0.04 1 1627 3653 158 ILE HA H 4.290 0.04 1 1628 3653 158 ILE HB H 1.789 0.04 1 1629 3653 158 ILE HG2 H 0.880 0.04 1 1630 3653 158 ILE HD1 H 0.788 0.04 1 1631 3653 158 ILE C C 176.036 0.40 1 1632 3653 158 ILE CA C 61.880 0.40 1 1633 3653 158 ILE CB C 39.936 0.40 1 1634 3653 158 ILE CG1 C 26.951 0.40 1 1635 3653 158 ILE CG2 C 17.684 0.40 1 1636 3653 158 ILE CD1 C 13.231 0.40 1 1637 3653 158 ILE N N 117.502 0.40 1 1638 3654 159 SER H H 7.995 0.04 1 1639 3654 159 SER HA H 4.125 0.04 1 1640 3654 159 SER C C 172.542 0.40 1 1641 3654 159 SER CA C 61.773 0.40 1 1642 3654 159 SER CB C 64.858 0.40 1 1643 3654 159 SER N N 118.589 0.40 1 1644 3655 160 PRO HA H 4.444 0.04 1 1645 3655 160 PRO HB2 H 2.147 0.04 2 1646 3655 160 PRO HB3 H 1.752 0.04 2 1647 3655 160 PRO HG2 H 2.044 0.04 2 1648 3655 160 PRO HD2 H 3.925 0.04 2 1649 3655 160 PRO HD3 H 3.846 0.04 2 1650 3655 160 PRO CA C 63.517 0.40 1 1651 3655 160 PRO CB C 32.272 0.40 1 1652 3655 160 PRO CG C 27.715 0.40 1 1653 3655 160 PRO CD C 50.766 0.40 1 1654 3656 161 HIS H H 6.671 0.04 1 1655 3656 161 HIS HA H 5.258 0.04 1 1656 3656 161 HIS HB2 H 3.054 0.04 2 1657 3656 161 HIS HB3 H 3.030 0.04 2 1658 3656 161 HIS C C 171.827 0.40 1 1659 3656 161 HIS CA C 55.074 0.40 1 1660 3656 161 HIS CB C 31.589 0.40 1 1661 3656 161 HIS N N 116.445 0.40 1 1662 3657 162 LEU H H 8.052 0.04 1 1663 3657 162 LEU HA H 4.988 0.04 1 1664 3657 162 LEU HB2 H 1.361 0.04 2 1665 3657 162 LEU HB3 H 1.383 0.04 2 1666 3657 162 LEU HG H 1.465 0.04 1 1667 3657 162 LEU HD1 H 0.471 0.04 1 1668 3657 162 LEU HD2 H 0.816 0.04 1 1669 3657 162 LEU C C 175.458 0.40 1 1670 3657 162 LEU CA C 53.035 0.40 1 1671 3657 162 LEU CB C 45.578 0.40 1 1672 3657 162 LEU CG C 26.283 0.40 1 1673 3657 162 LEU CD1 C 26.077 0.40 1 1674 3657 162 LEU CD2 C 23.910 0.40 1 1675 3657 162 LEU N N 112.957 0.40 1 1676 3658 163 MET H H 9.146 0.04 1 1677 3658 163 MET HA H 5.134 0.04 1 1678 3658 163 MET HB2 H 1.860 0.04 1 1679 3658 163 MET HB3 H 2.287 0.04 1 1680 3658 163 MET HG2 H 2.463 0.04 2 1681 3658 163 MET HG3 H 2.141 0.04 2 1682 3658 163 MET HE H 1.423 0.04 1 1683 3658 163 MET C C 174.048 0.40 1 1684 3658 163 MET CA C 54.798 0.40 1 1685 3658 163 MET CB C 36.946 0.40 1 1686 3658 163 MET CG C 33.393 0.40 1 1687 3658 163 MET CE C 18.005 0.40 1 1688 3658 163 MET N N 124.879 0.40 1 1689 3659 164 ILE H H 9.486 0.04 1 1690 3659 164 ILE HA H 5.451 0.04 1 1691 3659 164 ILE HB H 1.735 0.04 1 1692 3659 164 ILE HG12 H 1.001 0.04 2 1693 3659 164 ILE HG13 H 1.515 0.04 2 1694 3659 164 ILE HG2 H 0.659 0.04 1 1695 3659 164 ILE HD1 H 0.645 0.04 1 1696 3659 164 ILE C C 174.373 0.40 1 1697 3659 164 ILE CA C 59.983 0.40 1 1698 3659 164 ILE CB C 40.586 0.40 1 1699 3659 164 ILE CG1 C 27.733 0.40 1 1700 3659 164 ILE CG2 C 16.488 0.40 1 1701 3659 164 ILE CD1 C 13.851 0.40 1 1702 3659 164 ILE N N 130.006 0.40 1 1703 3660 165 VAL H H 9.473 0.04 1 1704 3660 165 VAL HA H 5.029 0.04 1 1705 3660 165 VAL HB H 2.284 0.04 1 1706 3660 165 VAL HG1 H 0.971 0.04 1 1707 3660 165 VAL HG2 H 1.004 0.04 1 1708 3660 165 VAL C C 175.757 0.40 1 1709 3660 165 VAL CA C 61.341 0.40 1 1710 3660 165 VAL CB C 34.319 0.40 1 1711 3660 165 VAL CG1 C 21.376 0.40 1 1712 3660 165 VAL CG2 C 22.000 0.40 1 1713 3660 165 VAL N N 129.193 0.40 1 1714 3661 166 ILE H H 9.491 0.04 1 1715 3661 166 ILE HA H 5.090 0.04 1 1716 3661 166 ILE HB H 1.605 0.04 1 1717 3661 166 ILE HG12 H 1.538 0.04 2 1718 3661 166 ILE HG13 H 0.794 0.04 2 1719 3661 166 ILE HG2 H 0.706 0.04 1 1720 3661 166 ILE HD1 H 0.531 0.04 1 1721 3661 166 ILE C C 174.599 0.40 1 1722 3661 166 ILE CA C 60.956 0.40 1 1723 3661 166 ILE CB C 39.456 0.40 1 1724 3661 166 ILE CG1 C 27.039 0.40 1 1725 3661 166 ILE CG2 C 17.209 0.40 1 1726 3661 166 ILE CD1 C 13.508 0.40 1 1727 3661 166 ILE N N 130.864 0.40 1 1728 3662 167 ALA H H 8.727 0.04 1 1729 3662 167 ALA HA H 5.009 0.04 1 1730 3662 167 ALA HB H 1.499 0.04 1 1731 3662 167 ALA C C 176.210 0.40 1 1732 3662 167 ALA CA C 50.818 0.40 1 1733 3662 167 ALA CB C 22.552 0.40 1 1734 3662 167 ALA N N 128.747 0.40 1 1735 3663 168 SER H H 8.715 0.04 1 1736 3663 168 SER C C 174.150 0.40 1 1737 3663 168 SER CA C 58.399 0.40 1 1738 3663 168 SER CB C 64.142 0.40 1 1739 3663 168 SER N N 117.622 0.40 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '4D HC(CO)NH' '3D 13C edited NOESY-HSQC' '2D 1H-13C HSQC aliphatic' '3D HNHB' '3D HN(CO)NB' '15N edited NOESY-HSQC' '2D 15N filtered 1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2518 1 TYR HA H 4.455 0.04 1 2 2518 1 TYR HB2 H 2.703 0.04 2 3 2518 1 TYR HB3 H 3.308 0.04 2 4 2518 1 TYR HD1 H 7.082 0.04 3 5 2518 1 TYR HE1 H 6.847 0.04 3 6 2518 1 TYR CA C 57.058 0.40 1 7 2518 1 TYR CB C 39.012 0.40 1 8 2518 1 TYR CD1 C 132.725 0.40 3 9 2518 1 TYR CE1 C 118.707 0.40 3 10 2519 2 GLU H H 8.680 0.04 1 11 2519 2 GLU HB2 H 1.888 0.04 2 12 2519 2 GLU HB3 H 2.124 0.04 2 13 2519 2 GLU HG2 H 2.338 0.04 2 14 2519 2 GLU HG3 H 2.307 0.04 2 15 2519 2 GLU CB C 31.713 0.40 1 16 2519 2 GLU CG C 36.803 0.40 1 17 2519 2 GLU N N 121.315 0.40 1 18 2521 4 LEU H H 7.788 0.04 1 19 2521 4 LEU HA H 4.172 0.04 1 20 2521 4 LEU HB2 H 1.526 0.04 2 21 2521 4 LEU HG H 1.604 0.04 1 22 2521 4 LEU HD1 H 0.728 0.04 2 23 2521 4 LEU CA C 55.428 0.40 1 24 2521 4 LEU CB C 41.307 0.40 1 25 2521 4 LEU CG C 27.794 0.40 1 26 2521 4 LEU CD1 C 25.636 0.40 2 27 2521 4 LEU N N 122.969 0.40 1 28 2522 5 SEP H H 9.399 0.04 1 29 2523 6 ASP H H 8.383 0.04 1 30 2523 6 ASP HB2 H 2.586 0.04 2 31 2523 6 ASP HB3 H 2.722 0.04 2 32 2523 6 ASP CB C 41.594 0.40 1 33 2523 6 ASP N N 123.085 0.40 1 34 2525 8 GLU H H 8.084 0.04 1 35 2525 8 GLU HA H 4.074 0.04 1 36 2525 8 GLU HB2 H 2.009 0.04 2 37 2525 8 GLU HB3 H 1.870 0.04 2 38 2525 8 GLU HG3 H 2.181 0.04 2 39 2525 8 GLU CA C 58.160 0.40 1 40 2525 8 GLU CB C 30.850 0.40 1 41 2525 8 GLU CG C 36.444 0.40 1 42 2525 8 GLU N N 129.562 0.40 1 stop_ save_