data_15928 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human ARNT C-Terminal PAS Domain, 3 Residue IB slip ; _BMRB_accession_number 15928 _BMRB_flat_file_name bmr15928.str _Entry_type original _Submission_date 2008-08-20 _Accession_date 2008-08-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Evans Matthew R. . 2 Card Paul B. . 3 Gardner Kevin H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 652 "13C chemical shifts" 492 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-07 update BMRB 'switch the shifts of HZ and CZ for residue 78' 2010-06-02 update BMRB 'edit assembly name' 2009-02-27 update BMRB 'complete entry citation' 2008-02-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'ARNT PAS-B has a fragile native state structure with an alternative {beta}-sheet register nearby in sequence space.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19196990 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Evans Matthew R. . 2 Card Paul B. . 3 Gardner Kevin H. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 106 _Journal_issue 8 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2617 _Page_last 2622 _Year 2009 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_2 _Saveframe_category citation _Citation_full . _Citation_title 'Structural Basis of ARNT PAS-B Dimerization: Use of a Common Beta-sheet Interface for Hetero- and Homodimerization' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16181639 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Card Paul B. . 2 Erbel Paul 'J. A.' . 3 Gardner Kevin H. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full . _Journal_volume 353 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 664 _Page_last 677 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ARNT_PAS-B_Slipped_IB_Strand _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ARNT_PAS-B_Slipped_IB_Strand $ARNT_PAS-B_Slipped_IB_Strand 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_ARNT_PAS-B_Slipped_IB_Strand _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ARNT_PAS-B_Slipped_IB_Strand _Molecular_mass 13799.596 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GAMDNVCQPTEFISRHNIEG IFTFVDHRCVATVGYQPQEL LGKNIVEFCHPEDQQLLRDS FQQVVKLKGQVLSVMFRFRS KNQEWLWMRTSSQTAQNPYS DEIETIICTNTNVKNSSQE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ASP 5 ASN 6 VAL 7 CYS 8 GLN 9 PRO 10 THR 11 GLU 12 PHE 13 ILE 14 SER 15 ARG 16 HIS 17 ASN 18 ILE 19 GLU 20 GLY 21 ILE 22 PHE 23 THR 24 PHE 25 VAL 26 ASP 27 HIS 28 ARG 29 CYS 30 VAL 31 ALA 32 THR 33 VAL 34 GLY 35 TYR 36 GLN 37 PRO 38 GLN 39 GLU 40 LEU 41 LEU 42 GLY 43 LYS 44 ASN 45 ILE 46 VAL 47 GLU 48 PHE 49 CYS 50 HIS 51 PRO 52 GLU 53 ASP 54 GLN 55 GLN 56 LEU 57 LEU 58 ARG 59 ASP 60 SER 61 PHE 62 GLN 63 GLN 64 VAL 65 VAL 66 LYS 67 LEU 68 LYS 69 GLY 70 GLN 71 VAL 72 LEU 73 SER 74 VAL 75 MET 76 PHE 77 ARG 78 PHE 79 ARG 80 SER 81 LYS 82 ASN 83 GLN 84 GLU 85 TRP 86 LEU 87 TRP 88 MET 89 ARG 90 THR 91 SER 92 SER 93 GLN 94 THR 95 ALA 96 GLN 97 ASN 98 PRO 99 TYR 100 SER 101 ASP 102 GLU 103 ILE 104 GLU 105 THR 106 ILE 107 ILE 108 CYS 109 THR 110 ASN 111 THR 112 ASN 113 VAL 114 LYS 115 ASN 116 SER 117 SER 118 GLN 119 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 1X0O "Human Arnt C-Terminal Pas Domain" 100.00 119 97.48 97.48 1.33e-79 PDB 2A24 "Haddock Structure Of Hif-2aARNT PAS-B Heterodimer" 90.76 108 97.22 97.22 4.62e-71 PDB 2HV1 "Haddock Structure Of Arnt Pas-B Homodimer" 100.00 119 97.48 97.48 1.33e-79 PDB 2K7S "Human Arnt C-Terminal Pas Domain, 3 Residue Ib Slip" 100.00 119 100.00 100.00 6.30e-83 PDB 4LPZ "Arnt Transcription Factor/coactivator Complex" 100.00 119 97.48 97.48 1.33e-79 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ARNT_PAS-B_Slipped_IB_Strand 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 $ARNT_PAS-B_Slipped_IB_Strand 'recombinant technology' . Escherichia coli BL21(DE3) pHis-parallel stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '5mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ARNT_PAS-B_Slipped_IB_Strand 900 uM '[U-98% 13C; U-98% 15N]' TRIS 50 mM 'natural abundance' 'sodium chloride' 17 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 17 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ARNT_PAS-B_Slipped_IB_Strand _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 2 2 ALA HA H 4.298 . 1 2 2 2 ALA HB H 1.418 . 1 3 2 2 ALA CA C 53.448 . 1 4 2 2 ALA CB C 19.236 . 1 5 3 3 MET H H 8.518 . 1 6 3 3 MET HE H 2.102 . 1 7 3 3 MET CE C 16.894 . 1 8 3 3 MET N N 117.762 . 1 9 4 4 ASP CA C 54.632 . 1 10 4 4 ASP CB C 41.102 . 1 11 5 5 ASN H H 8.332 . 1 12 5 5 ASN HD21 H 7.428 . 2 13 5 5 ASN HD22 H 6.826 . 2 14 5 5 ASN CA C 53.361 . 1 15 5 5 ASN CB C 38.775 . 1 16 5 5 ASN N N 118.200 . 1 17 5 5 ASN ND2 N 112.579 . 1 18 6 6 VAL H H 7.939 . 1 19 6 6 VAL HA H 4.142 . 1 20 6 6 VAL HB H 2.131 . 1 21 6 6 VAL HG1 H 0.945 . 2 22 6 6 VAL HG2 H 0.945 . 2 23 6 6 VAL CA C 62.634 . 1 24 6 6 VAL CB C 32.598 . 1 25 6 6 VAL CG1 C 21.192 . 1 26 6 6 VAL CG2 C 20.565 . 1 27 6 6 VAL N N 120.396 . 1 28 7 7 CYS H H 8.304 . 1 29 7 7 CYS CA C 56.095 . 1 30 7 7 CYS CB C 32.967 . 1 31 7 7 CYS N N 124.774 . 1 32 9 9 PRO HA H 4.547 . 1 33 9 9 PRO HB2 H 2.358 . 2 34 9 9 PRO HB3 H 1.975 . 2 35 9 9 PRO HD2 H 3.837 . 2 36 9 9 PRO HD3 H 3.651 . 2 37 9 9 PRO HG2 H 2.061 . 2 38 9 9 PRO C C 176.493 . 1 39 9 9 PRO CA C 63.142 . 1 40 9 9 PRO CB C 32.554 . 1 41 9 9 PRO CD C 50.721 . 1 42 9 9 PRO CG C 27.464 . 1 43 10 10 THR H H 8.368 . 1 44 10 10 THR HA H 4.418 . 1 45 10 10 THR HB H 4.456 . 1 46 10 10 THR HG2 H 1.199 . 1 47 10 10 THR C C 172.743 . 1 48 10 10 THR CA C 61.197 . 1 49 10 10 THR CB C 69.660 . 1 50 10 10 THR CG2 C 21.866 . 1 51 10 10 THR N N 112.513 . 1 52 11 11 GLU H H 7.813 . 1 53 11 11 GLU HA H 5.549 . 1 54 11 11 GLU HB2 H 2.178 . 2 55 11 11 GLU HB3 H 1.737 . 2 56 11 11 GLU HG2 H 2.093 . 2 57 11 11 GLU HG3 H 1.789 . 2 58 11 11 GLU C C 173.062 . 1 59 11 11 GLU CA C 53.855 . 1 60 11 11 GLU CB C 33.820 . 1 61 11 11 GLU CG C 34.150 . 1 62 11 11 GLU N N 119.491 . 1 63 12 12 PHE H H 8.198 . 1 64 12 12 PHE HA H 5.014 . 1 65 12 12 PHE HB2 H 3.016 . 2 66 12 12 PHE HB3 H 2.577 . 2 67 12 12 PHE HD1 H 7.019 . 3 68 12 12 PHE HD2 H 7.019 . 3 69 12 12 PHE HE1 H 6.751 . 3 70 12 12 PHE HE2 H 6.751 . 3 71 12 12 PHE HZ H 6.644 . 1 72 12 12 PHE C C 171.976 . 1 73 12 12 PHE CA C 55.597 . 1 74 12 12 PHE CB C 42.384 . 1 75 12 12 PHE CD1 C 132.839 . 3 76 12 12 PHE CD2 C 132.839 . 3 77 12 12 PHE CE1 C 130.372 . 3 78 12 12 PHE CE2 C 130.372 . 3 79 12 12 PHE CZ C 128.590 . 1 80 12 12 PHE N N 111.146 . 1 81 13 13 ILE H H 8.655 . 1 82 13 13 ILE HA H 4.165 . 1 83 13 13 ILE HB H 1.954 . 1 84 13 13 ILE HD1 H 0.967 . 1 85 13 13 ILE HG12 H 1.586 . 1 86 13 13 ILE HG13 H 1.117 . 1 87 13 13 ILE HG2 H 1.028 . 2 88 13 13 ILE C C 173.432 . 1 89 13 13 ILE CA C 62.270 . 1 90 13 13 ILE CB C 39.957 . 1 91 13 13 ILE CD1 C 13.978 . 1 92 13 13 ILE CG1 C 29.457 . 2 93 13 13 ILE CG2 C 18.097 . 1 94 13 13 ILE N N 121.427 . 1 95 14 14 SER H H 8.034 . 1 96 14 14 SER HA H 5.588 . 1 97 14 14 SER HB2 H 4.572 . 2 98 14 14 SER HB3 H 3.988 . 2 99 14 14 SER C C 173.429 . 1 100 14 14 SER CA C 56.650 . 1 101 14 14 SER CB C 70.177 . 1 102 14 14 SER N N 121.358 . 1 103 15 15 ARG H H 9.545 . 1 104 15 15 ARG HA H 5.826 . 1 105 15 15 ARG HB2 H 1.822 . 2 106 15 15 ARG HB3 H 1.822 . 2 107 15 15 ARG HD2 H 3.115 . 2 108 15 15 ARG HD3 H 2.660 . 2 109 15 15 ARG HE H 6.942 . 1 110 15 15 ARG HG2 H 1.559 . 2 111 15 15 ARG HG3 H 1.511 . 2 112 15 15 ARG C C 176.042 . 1 113 15 15 ARG CA C 55.105 . 1 114 15 15 ARG CB C 35.587 . 1 115 15 15 ARG CD C 43.190 . 1 116 15 15 ARG CG C 29.128 . 1 117 15 15 ARG N N 118.317 . 1 118 15 15 ARG NE N 82.754 . 1 119 16 16 HIS H H 8.730 . 1 120 16 16 HIS HA H 5.555 . 1 121 16 16 HIS HB2 H 2.929 . 2 122 16 16 HIS HB3 H 2.329 . 2 123 16 16 HIS HD1 H 10.249 . 3 124 16 16 HIS HD2 H 6.562 . 3 125 16 16 HIS HE1 H 5.149 . 3 126 16 16 HIS HE2 H 10.015 . 3 127 16 16 HIS C C 174.062 . 1 128 16 16 HIS CA C 54.057 . 1 129 16 16 HIS CB C 31.334 . 1 130 16 16 HIS CD2 C 129.120 . 1 131 16 16 HIS CE1 C 136.831 . 1 132 16 16 HIS N N 117.425 . 1 133 16 16 HIS ND1 N 162.709 . 1 134 17 17 ASN H H 8.201 . 1 135 17 17 ASN HA H 4.897 . 1 136 17 17 ASN HB2 H 3.778 . 2 137 17 17 ASN HB3 H 2.977 . 2 138 17 17 ASN HD21 H 7.838 . 2 139 17 17 ASN HD22 H 6.630 . 2 140 17 17 ASN C C 178.263 . 1 141 17 17 ASN CA C 51.104 . 1 142 17 17 ASN CB C 38.469 . 1 143 17 17 ASN N N 116.276 . 1 144 17 17 ASN ND2 N 110.863 . 1 145 18 18 ILE H H 8.774 . 1 146 18 18 ILE HA H 3.795 . 1 147 18 18 ILE HB H 1.919 . 1 148 18 18 ILE HD1 H 0.944 . 1 149 18 18 ILE HG12 H 1.467 . 1 150 18 18 ILE HG13 H 1.355 . 1 151 18 18 ILE HG2 H 0.982 . 2 152 18 18 ILE C C 174.851 . 1 153 18 18 ILE CA C 64.399 . 1 154 18 18 ILE CB C 38.072 . 1 155 18 18 ILE CD1 C 14.489 . 1 156 18 18 ILE CG1 C 28.670 . 2 157 18 18 ILE CG2 C 17.377 . 1 158 18 18 ILE N N 120.001 . 1 159 19 19 GLU H H 7.213 . 1 160 19 19 GLU HA H 4.225 . 1 161 19 19 GLU HB2 H 2.111 . 2 162 19 19 GLU HB3 H 2.066 . 2 163 19 19 GLU HG2 H 2.285 . 2 164 19 19 GLU HG3 H 2.285 . 2 165 19 19 GLU CA C 57.145 . 1 166 19 19 GLU CB C 29.878 . 1 167 19 19 GLU CG C 36.917 . 1 168 19 19 GLU N N 116.538 . 1 169 20 20 GLY H H 7.845 . 1 170 20 20 GLY HA2 H 4.878 . 2 171 20 20 GLY HA3 H 2.886 . 2 172 20 20 GLY C C 172.992 . 1 173 20 20 GLY CA C 44.049 . 1 174 20 20 GLY N N 104.883 . 1 175 21 21 ILE H H 7.841 . 1 176 21 21 ILE HA H 3.995 . 1 177 21 21 ILE HB H 1.852 . 1 178 21 21 ILE HD1 H 0.757 . 1 179 21 21 ILE HG12 H 1.492 . 1 180 21 21 ILE HG13 H 1.188 . 1 181 21 21 ILE HG2 H 0.707 . 2 182 21 21 ILE C C 176.915 . 1 183 21 21 ILE CA C 60.302 . 1 184 21 21 ILE CB C 36.111 . 1 185 21 21 ILE CD1 C 11.141 . 1 186 21 21 ILE CG1 C 27.510 . 2 187 21 21 ILE CG2 C 16.788 . 1 188 21 21 ILE N N 120.855 . 1 189 22 22 PHE H H 8.896 . 1 190 22 22 PHE HA H 5.052 . 1 191 22 22 PHE HB2 H 3.484 . 2 192 22 22 PHE HB3 H 2.802 . 2 193 22 22 PHE HD1 H 7.606 . 3 194 22 22 PHE HD2 H 7.606 . 3 195 22 22 PHE HE1 H 7.300 . 3 196 22 22 PHE HE2 H 7.300 . 3 197 22 22 PHE HZ H 7.081 . 1 198 22 22 PHE C C 177.971 . 1 199 22 22 PHE CA C 59.625 . 1 200 22 22 PHE CB C 39.984 . 1 201 22 22 PHE CD1 C 132.697 . 3 202 22 22 PHE CD2 C 132.697 . 3 203 22 22 PHE CE1 C 129.735 . 3 204 22 22 PHE CE2 C 129.735 . 3 205 22 22 PHE CZ C 128.070 . 1 206 22 22 PHE N N 125.849 . 1 207 23 23 THR H H 9.771 . 1 208 23 23 THR HA H 4.403 . 1 209 23 23 THR HB H 4.333 . 1 210 23 23 THR HG2 H 1.180 . 1 211 23 23 THR C C 175.589 . 1 212 23 23 THR CA C 61.611 . 1 213 23 23 THR CB C 69.193 . 1 214 23 23 THR CG2 C 22.254 . 1 215 23 23 THR N N 117.677 . 1 216 24 24 PHE H H 7.948 . 1 217 24 24 PHE HA H 4.483 . 1 218 24 24 PHE HB2 H 3.336 . 2 219 24 24 PHE HB3 H 2.457 . 2 220 24 24 PHE HD1 H 7.067 . 3 221 24 24 PHE HD2 H 7.067 . 3 222 24 24 PHE HE1 H 7.262 . 3 223 24 24 PHE HE2 H 7.262 . 3 224 24 24 PHE HZ H 7.110 . 1 225 24 24 PHE C C 173.376 . 1 226 24 24 PHE CA C 59.142 . 1 227 24 24 PHE CB C 42.161 . 1 228 24 24 PHE CD1 C 131.194 . 3 229 24 24 PHE CD2 C 131.194 . 3 230 24 24 PHE CE1 C 131.369 . 3 231 24 24 PHE CE2 C 131.369 . 3 232 24 24 PHE CZ C 131.118 . 1 233 24 24 PHE N N 123.378 . 1 234 25 25 VAL H H 7.340 . 1 235 25 25 VAL HA H 4.166 . 1 236 25 25 VAL HB H 1.527 . 1 237 25 25 VAL HG1 H 0.649 . 2 238 25 25 VAL HG2 H 0.432 . 2 239 25 25 VAL C C 173.103 . 1 240 25 25 VAL CA C 61.539 . 1 241 25 25 VAL CB C 35.683 . 1 242 25 25 VAL CG1 C 23.419 . 1 243 25 25 VAL CG2 C 20.799 . 1 244 25 25 VAL N N 124.777 . 1 245 26 26 ASP H H 7.942 . 1 246 26 26 ASP HA H 4.466 . 1 247 26 26 ASP HB2 H 3.440 . 2 248 26 26 ASP HB3 H 3.028 . 2 249 26 26 ASP C C 175.258 . 1 250 26 26 ASP CA C 53.318 . 1 251 26 26 ASP CB C 42.461 . 1 252 26 26 ASP N N 125.573 . 1 253 27 27 HIS H H 8.115 . 1 254 27 27 HIS HA H 4.222 . 1 255 27 27 HIS HB2 H 3.334 . 2 256 27 27 HIS HB3 H 3.191 . 2 257 27 27 HIS HD2 H 7.079 . 3 258 27 27 HIS C C 177.268 . 1 259 27 27 HIS CA C 59.164 . 1 260 27 27 HIS CB C 30.374 . 1 261 27 27 HIS CD2 C 119.184 . 1 262 27 27 HIS N N 117.576 . 1 263 28 28 ARG H H 8.724 . 1 264 28 28 ARG HA H 4.210 . 1 265 28 28 ARG HB2 H 2.230 . 2 266 28 28 ARG HB3 H 2.065 . 2 267 28 28 ARG HD2 H 3.395 . 2 268 28 28 ARG HD3 H 3.395 . 2 269 28 28 ARG HE H 7.811 . 1 270 28 28 ARG HG2 H 1.687 . 2 271 28 28 ARG HG3 H 1.435 . 2 272 28 28 ARG C C 177.838 . 1 273 28 28 ARG CA C 58.199 . 1 274 28 28 ARG CB C 29.815 . 1 275 28 28 ARG CD C 43.560 . 1 276 28 28 ARG CG C 27.250 . 1 277 28 28 ARG N N 122.414 . 1 278 28 28 ARG NE N 85.521 . 1 279 29 29 CYS H H 8.102 . 1 280 29 29 CYS HA H 3.124 . 1 281 29 29 CYS HB2 H 1.642 . 2 282 29 29 CYS HB3 H 1.211 . 2 283 29 29 CYS C C 175.551 . 1 284 29 29 CYS CA C 59.988 . 1 285 29 29 CYS CB C 25.101 . 1 286 29 29 CYS N N 119.987 . 1 287 30 30 VAL H H 7.139 . 1 288 30 30 VAL HA H 3.373 . 1 289 30 30 VAL HB H 1.978 . 1 290 30 30 VAL HG1 H 0.986 . 2 291 30 30 VAL HG2 H 0.796 . 2 292 30 30 VAL C C 178.225 . 1 293 30 30 VAL CA C 65.903 . 1 294 30 30 VAL CB C 31.446 . 1 295 30 30 VAL CG1 C 22.805 . 1 296 30 30 VAL CG2 C 20.818 . 1 297 30 30 VAL N N 125.016 . 1 298 31 31 ALA H H 7.393 . 1 299 31 31 ALA HA H 4.126 . 1 300 31 31 ALA HB H 1.464 . 1 301 31 31 ALA C C 178.111 . 1 302 31 31 ALA CA C 53.715 . 1 303 31 31 ALA CB C 19.223 . 1 304 31 31 ALA N N 120.554 . 1 305 32 32 THR H H 7.253 . 1 306 32 32 THR HA H 4.116 . 1 307 32 32 THR HB H 3.782 . 1 308 32 32 THR HG2 H 1.152 . 1 309 32 32 THR C C 175.655 . 1 310 32 32 THR CA C 64.727 . 1 311 32 32 THR CB C 69.144 . 1 312 32 32 THR CG2 C 22.159 . 1 313 32 32 THR N N 109.150 . 1 314 33 33 VAL H H 7.939 . 1 315 33 33 VAL HA H 4.504 . 1 316 33 33 VAL HB H 2.399 . 1 317 33 33 VAL HG1 H 0.198 . 2 318 33 33 VAL HG2 H 0.504 . 2 319 33 33 VAL C C 175.594 . 1 320 33 33 VAL CA C 60.596 . 1 321 33 33 VAL CB C 34.900 . 1 322 33 33 VAL CG1 C 22.312 . 1 323 33 33 VAL CG2 C 20.035 . 1 324 33 33 VAL N N 108.519 . 1 325 34 34 GLY H H 7.439 . 1 326 34 34 GLY HA2 H 4.099 . 2 327 34 34 GLY HA3 H 3.846 . 2 328 34 34 GLY C C 173.655 . 1 329 34 34 GLY CA C 46.538 . 1 330 34 34 GLY N N 109.672 . 1 331 35 35 TYR H H 6.215 . 1 332 35 35 TYR HA H 4.415 . 1 333 35 35 TYR HB2 H 2.977 . 2 334 35 35 TYR HB3 H 1.872 . 2 335 35 35 TYR HD1 H 6.908 . 3 336 35 35 TYR HD2 H 6.908 . 3 337 35 35 TYR HE1 H 7.260 . 3 338 35 35 TYR HE2 H 7.260 . 3 339 35 35 TYR C C 174.492 . 1 340 35 35 TYR CA C 57.289 . 1 341 35 35 TYR CB C 40.784 . 1 342 35 35 TYR CD1 C 132.791 . 3 343 35 35 TYR CD2 C 132.791 . 3 344 35 35 TYR CE1 C 118.010 . 3 345 35 35 TYR CE2 C 118.010 . 3 346 35 35 TYR N N 117.067 . 1 347 36 36 GLN H H 9.145 . 1 348 36 36 GLN HA H 4.285 . 1 349 36 36 GLN HB2 H 2.425 . 2 350 36 36 GLN HB3 H 1.630 . 2 351 36 36 GLN HG2 H 2.490 . 2 352 36 36 GLN HG3 H 2.490 . 2 353 36 36 GLN CA C 53.760 . 1 354 36 36 GLN CB C 27.558 . 1 355 36 36 GLN CG C 33.480 . 1 356 36 36 GLN N N 117.664 . 1 357 37 37 PRO HA H 3.755 . 1 358 37 37 PRO HB2 H 2.087 . 2 359 37 37 PRO HB3 H 1.829 . 2 360 37 37 PRO HD2 H 3.818 . 2 361 37 37 PRO HD3 H 3.366 . 2 362 37 37 PRO HG2 H 1.978 . 2 363 37 37 PRO HG3 H 1.770 . 2 364 37 37 PRO C C 178.629 . 1 365 37 37 PRO CA C 66.415 . 1 366 37 37 PRO CB C 31.313 . 1 367 37 37 PRO CD C 49.700 . 1 368 37 37 PRO CG C 27.930 . 1 369 38 38 GLN H H 8.870 . 1 370 38 38 GLN HA H 3.996 . 1 371 38 38 GLN HB2 H 2.103 . 2 372 38 38 GLN HB3 H 2.103 . 2 373 38 38 GLN HG2 H 2.491 . 2 374 38 38 GLN HG3 H 2.376 . 2 375 38 38 GLN C C 177.121 . 1 376 38 38 GLN CA C 58.468 . 1 377 38 38 GLN CB C 27.259 . 1 378 38 38 GLN CG C 33.768 . 1 379 38 38 GLN N N 113.031 . 1 380 39 39 GLU H H 7.799 . 1 381 39 39 GLU HA H 4.203 . 1 382 39 39 GLU HB2 H 2.495 . 2 383 39 39 GLU HB3 H 2.275 . 2 384 39 39 GLU HG2 H 2.328 . 2 385 39 39 GLU HG3 H 2.272 . 2 386 39 39 GLU C C 175.485 . 1 387 39 39 GLU CA C 57.598 . 1 388 39 39 GLU CB C 30.955 . 1 389 39 39 GLU CG C 38.791 . 1 390 39 39 GLU N N 117.366 . 1 391 40 40 LEU H H 7.001 . 1 392 40 40 LEU HA H 4.205 . 1 393 40 40 LEU HB2 H 1.221 . 2 394 40 40 LEU HB3 H 0.712 . 2 395 40 40 LEU HD1 H -0.292 . 2 396 40 40 LEU HD2 H 0.180 . 2 397 40 40 LEU HG H 0.963 . 1 398 40 40 LEU C C 176.417 . 1 399 40 40 LEU CA C 55.345 . 1 400 40 40 LEU CB C 43.190 . 1 401 40 40 LEU CD1 C 22.815 . 1 402 40 40 LEU CD2 C 25.256 . 1 403 40 40 LEU CG C 26.732 . 1 404 40 40 LEU N N 116.615 . 1 405 41 41 LEU H H 7.521 . 1 406 41 41 LEU HA H 3.678 . 1 407 41 41 LEU HB2 H 1.498 . 2 408 41 41 LEU HB3 H 1.491 . 2 409 41 41 LEU HD1 H 0.798 . 2 410 41 41 LEU HD2 H 0.746 . 2 411 41 41 LEU HG H 1.538 . 1 412 41 41 LEU C C 177.754 . 1 413 41 41 LEU CA C 57.050 . 1 414 41 41 LEU CB C 42.155 . 1 415 41 41 LEU CD1 C 24.212 . 1 416 41 41 LEU CD2 C 23.376 . 1 417 41 41 LEU CG C 26.572 . 1 418 41 41 LEU N N 117.814 . 1 419 42 42 GLY H H 8.535 . 1 420 42 42 GLY HA2 H 4.328 . 2 421 42 42 GLY HA3 H 3.601 . 2 422 42 42 GLY C C 173.808 . 1 423 42 42 GLY CA C 45.689 . 1 424 42 42 GLY N N 110.496 . 1 425 43 43 LYS H H 8.398 . 1 426 43 43 LYS HA H 4.680 . 1 427 43 43 LYS HB2 H 2.333 . 2 428 43 43 LYS HB3 H 2.028 . 2 429 43 43 LYS HD2 H 1.842 . 2 430 43 43 LYS HD3 H 1.709 . 2 431 43 43 LYS HE2 H 3.055 . 2 432 43 43 LYS HE3 H 3.055 . 2 433 43 43 LYS HG2 H 1.541 . 2 434 43 43 LYS HG3 H 1.358 . 2 435 43 43 LYS C C 173.943 . 1 436 43 43 LYS CA C 54.361 . 1 437 43 43 LYS CB C 33.960 . 1 438 43 43 LYS CD C 28.928 . 1 439 43 43 LYS CE C 42.667 . 1 440 43 43 LYS CG C 25.862 . 1 441 43 43 LYS N N 120.461 . 1 442 44 44 ASN H H 8.892 . 1 443 44 44 ASN HA H 4.690 . 1 444 44 44 ASN HB2 H 2.770 . 2 445 44 44 ASN HB3 H 2.425 . 2 446 44 44 ASN HD21 H 7.393 . 2 447 44 44 ASN HD22 H 6.784 . 2 448 44 44 ASN C C 176.922 . 1 449 44 44 ASN CA C 52.256 . 1 450 44 44 ASN CB C 40.451 . 1 451 44 44 ASN N N 119.869 . 1 452 44 44 ASN ND2 N 111.011 . 1 453 45 45 ILE H H 8.543 . 1 454 45 45 ILE HA H 3.887 . 1 455 45 45 ILE HB H 0.881 . 1 456 45 45 ILE HD1 H 0.786 . 1 457 45 45 ILE HG12 H 1.590 . 1 458 45 45 ILE HG2 H 0.666 . 2 459 45 45 ILE C C 176.137 . 1 460 45 45 ILE CA C 65.116 . 1 461 45 45 ILE CB C 36.637 . 1 462 45 45 ILE CD1 C 13.406 . 1 463 45 45 ILE CG1 C 28.897 . 2 464 45 45 ILE CG2 C 15.949 . 1 465 45 45 ILE N N 129.131 . 1 466 46 46 VAL H H 9.059 . 1 467 46 46 VAL HA H 3.439 . 1 468 46 46 VAL HB H 1.915 . 1 469 46 46 VAL HG1 H 0.879 . 2 470 46 46 VAL HG2 H 0.833 . 2 471 46 46 VAL C C 178.407 . 1 472 46 46 VAL CA C 65.705 . 1 473 46 46 VAL CB C 31.022 . 1 474 46 46 VAL CG1 C 22.252 . 1 475 46 46 VAL CG2 C 21.795 . 1 476 46 46 VAL N N 118.981 . 1 477 47 47 GLU H H 7.923 . 1 478 47 47 GLU HA H 3.989 . 1 479 47 47 GLU HB2 H 1.968 . 2 480 47 47 GLU HB3 H 1.804 . 2 481 47 47 GLU HG2 H 2.158 . 2 482 47 47 GLU HG3 H 2.087 . 2 483 47 47 GLU C C 177.664 . 1 484 47 47 GLU CA C 57.999 . 1 485 47 47 GLU CB C 28.849 . 1 486 47 47 GLU CG C 37.410 . 1 487 47 47 GLU N N 117.733 . 1 488 48 48 PHE H H 7.689 . 1 489 48 48 PHE HA H 4.177 . 1 490 48 48 PHE HB2 H 2.371 . 2 491 48 48 PHE HB3 H 2.371 . 2 492 48 48 PHE HD1 H 7.245 . 3 493 48 48 PHE HD2 H 7.248 . 3 494 48 48 PHE HE1 H 6.907 . 3 495 48 48 PHE HE2 H 6.907 . 3 496 48 48 PHE HZ H 6.988 . 1 497 48 48 PHE C C 172.739 . 1 498 48 48 PHE CA C 57.725 . 1 499 48 48 PHE CB C 39.428 . 1 500 48 48 PHE CD1 C 132.005 . 3 501 48 48 PHE CD2 C 132.673 . 3 502 48 48 PHE CE1 C 130.747 . 3 503 48 48 PHE CE2 C 130.747 . 3 504 48 48 PHE CZ C 129.253 . 1 505 48 48 PHE N N 117.768 . 1 506 49 49 CYS H H 7.413 . 1 507 49 49 CYS HA H 5.671 . 1 508 49 49 CYS HB2 H 3.261 . 2 509 49 49 CYS HB3 H 2.307 . 2 510 49 49 CYS CA C 56.429 . 1 511 49 49 CYS CB C 28.747 . 1 512 49 49 CYS N N 119.705 . 1 513 50 50 HIS H H 8.640 . 1 514 50 50 HIS HA H 3.655 . 1 515 50 50 HIS HB2 H 2.630 . 2 516 50 50 HIS HB3 H 1.708 . 2 517 50 50 HIS HD2 H 4.300 . 3 518 50 50 HIS CA C 56.934 . 1 519 50 50 HIS CB C 32.071 . 1 520 50 50 HIS CD2 C 115.455 . 1 521 50 50 HIS N N 134.180 . 1 522 51 51 PRO HA H 4.044 . 1 523 51 51 PRO HB2 H 2.312 . 2 524 51 51 PRO HB3 H 1.854 . 2 525 51 51 PRO HD2 H 3.454 . 2 526 51 51 PRO HD3 H 2.113 . 2 527 51 51 PRO HG2 H 1.850 . 2 528 51 51 PRO C C 179.121 . 1 529 51 51 PRO CA C 65.989 . 1 530 51 51 PRO CB C 32.605 . 1 531 51 51 PRO CD C 50.838 . 1 532 51 51 PRO CG C 27.489 . 1 533 52 52 GLU H H 10.986 . 1 534 52 52 GLU HA H 4.125 . 1 535 52 52 GLU HB2 H 2.029 . 2 536 52 52 GLU HB3 H 1.951 . 2 537 52 52 GLU HG2 H 2.447 . 2 538 52 52 GLU HG3 H 2.447 . 2 539 52 52 GLU C C 177.643 . 1 540 52 52 GLU CA C 58.522 . 1 541 52 52 GLU CB C 29.347 . 1 542 52 52 GLU CG C 37.493 . 1 543 52 52 GLU N N 119.351 . 1 544 53 53 ASP H H 8.203 . 1 545 53 53 ASP HA H 4.898 . 1 546 53 53 ASP HB2 H 3.098 . 2 547 53 53 ASP HB3 H 2.770 . 2 548 53 53 ASP C C 175.641 . 1 549 53 53 ASP CA C 54.092 . 1 550 53 53 ASP CB C 43.596 . 1 551 53 53 ASP N N 117.757 . 1 552 54 54 GLN H H 6.922 . 1 553 54 54 GLN HA H 3.985 . 1 554 54 54 GLN HB2 H 2.027 . 2 555 54 54 GLN HB3 H 1.778 . 2 556 54 54 GLN HE21 H 7.215 . 2 557 54 54 GLN HE22 H 6.928 . 2 558 54 54 GLN HG2 H 2.946 . 2 559 54 54 GLN HG3 H 2.201 . 2 560 54 54 GLN C C 177.417 . 1 561 54 54 GLN CA C 60.084 . 1 562 54 54 GLN CB C 28.448 . 1 563 54 54 GLN CG C 35.235 . 1 564 54 54 GLN N N 118.680 . 1 565 54 54 GLN NE2 N 111.173 . 1 566 55 55 GLN H H 8.663 . 1 567 55 55 GLN HA H 3.778 . 1 568 55 55 GLN HB2 H 2.074 . 2 569 55 55 GLN HB3 H 2.020 . 2 570 55 55 GLN HE21 H 7.912 . 2 571 55 55 GLN HE22 H 6.887 . 2 572 55 55 GLN HG2 H 2.369 . 2 573 55 55 GLN HG3 H 2.369 . 2 574 55 55 GLN C C 177.398 . 1 575 55 55 GLN CA C 58.812 . 1 576 55 55 GLN CB C 27.402 . 1 577 55 55 GLN CG C 33.375 . 1 578 55 55 GLN N N 119.173 . 1 579 55 55 GLN NE2 N 115.596 . 1 580 56 56 LEU H H 7.935 . 1 581 56 56 LEU HA H 4.071 . 1 582 56 56 LEU HB2 H 1.808 . 2 583 56 56 LEU HB3 H 1.706 . 2 584 56 56 LEU HD1 H 1.099 . 2 585 56 56 LEU HD2 H 1.056 . 2 586 56 56 LEU HG H 1.760 . 1 587 56 56 LEU C C 180.037 . 1 588 56 56 LEU CA C 57.698 . 1 589 56 56 LEU CB C 41.586 . 1 590 56 56 LEU CD1 C 25.455 . 1 591 56 56 LEU CD2 C 24.816 . 1 592 56 56 LEU CG C 26.624 . 1 593 56 56 LEU N N 119.661 . 1 594 57 57 LEU H H 7.382 . 1 595 57 57 LEU HA H 3.575 . 1 596 57 57 LEU HB2 H 1.409 . 2 597 57 57 LEU HB3 H 1.063 . 2 598 57 57 LEU HD1 H 0.098 . 2 599 57 57 LEU HD2 H 0.018 . 2 600 57 57 LEU HG H 0.733 . 1 601 57 57 LEU C C 178.470 . 1 602 57 57 LEU CA C 57.703 . 1 603 57 57 LEU CB C 42.077 . 1 604 57 57 LEU CD1 C 23.994 . 1 605 57 57 LEU CD2 C 25.317 . 1 606 57 57 LEU CG C 25.725 . 1 607 57 57 LEU N N 119.857 . 1 608 58 58 ARG H H 8.118 . 1 609 58 58 ARG HA H 3.338 . 1 610 58 58 ARG HB2 H 1.754 . 2 611 58 58 ARG HB3 H 1.754 . 2 612 58 58 ARG HD2 H 3.175 . 2 613 58 58 ARG HD3 H 3.135 . 2 614 58 58 ARG HG2 H 1.711 . 2 615 58 58 ARG HG3 H 1.508 . 2 616 58 58 ARG C C 179.713 . 1 617 58 58 ARG CA C 60.120 . 1 618 58 58 ARG CB C 30.320 . 1 619 58 58 ARG CD C 43.752 . 1 620 58 58 ARG CG C 28.410 . 1 621 58 58 ARG N N 118.198 . 1 622 59 59 ASP H H 8.748 . 1 623 59 59 ASP HA H 4.336 . 1 624 59 59 ASP HB2 H 2.756 . 2 625 59 59 ASP HB3 H 2.547 . 2 626 59 59 ASP C C 179.130 . 1 627 59 59 ASP CA C 57.197 . 1 628 59 59 ASP CB C 40.212 . 1 629 59 59 ASP N N 119.165 . 1 630 60 60 SER H H 7.552 . 1 631 60 60 SER HA H 4.116 . 1 632 60 60 SER HB2 H 3.959 . 2 633 60 60 SER HB3 H 3.684 . 2 634 60 60 SER C C 175.883 . 1 635 60 60 SER CA C 61.975 . 1 636 60 60 SER CB C 63.098 . 1 637 60 60 SER N N 117.761 . 1 638 61 61 PHE H H 7.063 . 1 639 61 61 PHE HA H 4.614 . 1 640 61 61 PHE HB2 H 3.369 . 2 641 61 61 PHE HB3 H 3.369 . 2 642 61 61 PHE HD1 H 7.033 . 3 643 61 61 PHE HD2 H 7.033 . 3 644 61 61 PHE HE1 H 6.830 . 3 645 61 61 PHE HE2 H 6.830 . 3 646 61 61 PHE HZ H 6.426 . 1 647 61 61 PHE C C 177.561 . 1 648 61 61 PHE CA C 56.777 . 1 649 61 61 PHE CB C 36.564 . 1 650 61 61 PHE CD1 C 129.591 . 3 651 61 61 PHE CD2 C 129.591 . 3 652 61 61 PHE CE1 C 130.372 . 3 653 61 61 PHE CE2 C 130.372 . 3 654 61 61 PHE CZ C 129.333 . 1 655 61 61 PHE N N 122.009 . 1 656 62 62 GLN H H 7.376 . 1 657 62 62 GLN HA H 4.038 . 1 658 62 62 GLN HB2 H 2.253 . 2 659 62 62 GLN HB3 H 2.213 . 2 660 62 62 GLN HG2 H 2.599 . 2 661 62 62 GLN HG3 H 2.490 . 2 662 62 62 GLN C C 179.093 . 1 663 62 62 GLN CA C 58.240 . 1 664 62 62 GLN CB C 28.094 . 1 665 62 62 GLN CG C 33.601 . 1 666 62 62 GLN N N 114.929 . 1 667 63 63 GLN H H 7.893 . 1 668 63 63 GLN HA H 4.083 . 1 669 63 63 GLN HB2 H 2.138 . 2 670 63 63 GLN HB3 H 2.061 . 2 671 63 63 GLN HG2 H 2.458 . 2 672 63 63 GLN HG3 H 2.406 . 2 673 63 63 GLN C C 178.244 . 1 674 63 63 GLN CA C 58.408 . 1 675 63 63 GLN CB C 28.755 . 1 676 63 63 GLN CG C 33.926 . 1 677 63 63 GLN N N 117.434 . 1 678 64 64 VAL H H 8.220 . 1 679 64 64 VAL HA H 3.663 . 1 680 64 64 VAL HB H 2.480 . 1 681 64 64 VAL HG1 H 1.159 . 2 682 64 64 VAL HG2 H 1.000 . 2 683 64 64 VAL C C 177.137 . 1 684 64 64 VAL CA C 66.107 . 1 685 64 64 VAL CB C 31.475 . 1 686 64 64 VAL CG1 C 24.213 . 1 687 64 64 VAL CG2 C 22.769 . 1 688 64 64 VAL N N 118.766 . 1 689 65 65 VAL H H 6.860 . 1 690 65 65 VAL HA H 3.833 . 1 691 65 65 VAL HB H 2.183 . 1 692 65 65 VAL HG1 H 1.045 . 2 693 65 65 VAL HG2 H 0.982 . 2 694 65 65 VAL C C 177.624 . 1 695 65 65 VAL CA C 64.200 . 1 696 65 65 VAL CB C 31.730 . 1 697 65 65 VAL CG1 C 21.213 . 1 698 65 65 VAL CG2 C 21.377 . 1 699 65 65 VAL N N 112.590 . 1 700 66 66 LYS H H 7.431 . 1 701 66 66 LYS HA H 4.184 . 1 702 66 66 LYS HB2 H 1.917 . 2 703 66 66 LYS HB3 H 1.917 . 2 704 66 66 LYS HD2 H 1.694 . 2 705 66 66 LYS HD3 H 1.694 . 2 706 66 66 LYS HE2 H 2.988 . 2 707 66 66 LYS HE3 H 2.988 . 2 708 66 66 LYS HG2 H 1.606 . 2 709 66 66 LYS HG3 H 1.441 . 2 710 66 66 LYS C C 177.374 . 1 711 66 66 LYS CA C 58.190 . 1 712 66 66 LYS CB C 33.232 . 1 713 66 66 LYS CD C 29.328 . 1 714 66 66 LYS CE C 42.200 . 1 715 66 66 LYS CG C 25.211 . 1 716 66 66 LYS N N 119.643 . 1 717 67 67 LEU H H 7.859 . 1 718 67 67 LEU HA H 4.552 . 1 719 67 67 LEU HB2 H 1.744 . 2 720 67 67 LEU HB3 H 1.424 . 2 721 67 67 LEU HD1 H 0.892 . 2 722 67 67 LEU HD2 H 0.840 . 2 723 67 67 LEU HG H 1.649 . 1 724 67 67 LEU C C 175.532 . 1 725 67 67 LEU CA C 53.108 . 1 726 67 67 LEU CB C 40.979 . 1 727 67 67 LEU CD1 C 25.501 . 1 728 67 67 LEU CD2 C 22.909 . 1 729 67 67 LEU CG C 26.473 . 1 730 67 67 LEU N N 121.288 . 1 731 68 68 LYS H H 7.475 . 1 732 68 68 LYS HA H 4.156 . 1 733 68 68 LYS HB2 H 1.872 . 2 734 68 68 LYS HB3 H 1.814 . 2 735 68 68 LYS HD2 H 1.741 . 2 736 68 68 LYS HD3 H 1.741 . 2 737 68 68 LYS HE2 H 3.068 . 2 738 68 68 LYS HE3 H 3.068 . 2 739 68 68 LYS HG2 H 1.589 . 2 740 68 68 LYS HG3 H 1.423 . 2 741 68 68 LYS C C 177.987 . 1 742 68 68 LYS CA C 58.388 . 1 743 68 68 LYS CB C 32.207 . 1 744 68 68 LYS CD C 29.313 . 1 745 68 68 LYS CE C 42.430 . 1 746 68 68 LYS CG C 24.916 . 1 747 68 68 LYS N N 119.626 . 1 748 69 69 GLY H H 8.696 . 1 749 69 69 GLY HA2 H 4.294 . 2 750 69 69 GLY HA3 H 3.896 . 2 751 69 69 GLY CA C 45.335 . 1 752 69 69 GLY N N 113.681 . 1 753 70 70 GLN H H 8.031 . 1 754 70 70 GLN HA H 4.508 . 1 755 70 70 GLN HB2 H 2.105 . 2 756 70 70 GLN HB3 H 2.066 . 2 757 70 70 GLN HG2 H 2.300 . 2 758 70 70 GLN HG3 H 2.300 . 2 759 70 70 GLN C C 174.684 . 1 760 70 70 GLN CA C 55.347 . 1 761 70 70 GLN CB C 30.111 . 1 762 70 70 GLN CG C 34.475 . 1 763 70 70 GLN N N 119.949 . 1 764 71 71 VAL H H 8.232 . 1 765 71 71 VAL HA H 4.822 . 1 766 71 71 VAL HB H 1.908 . 1 767 71 71 VAL HG1 H 0.879 . 2 768 71 71 VAL HG2 H 0.879 . 2 769 71 71 VAL C C 176.406 . 1 770 71 71 VAL CA C 61.198 . 1 771 71 71 VAL CB C 32.964 . 1 772 71 71 VAL CG1 C 21.382 . 1 773 71 71 VAL CG2 C 21.382 . 1 774 71 71 VAL N N 121.816 . 1 775 72 72 LEU H H 9.052 . 1 776 72 72 LEU HA H 4.827 . 1 777 72 72 LEU HB2 H 1.804 . 2 778 72 72 LEU HB3 H 1.577 . 2 779 72 72 LEU HD1 H 0.943 . 2 780 72 72 LEU HD2 H 0.880 . 2 781 72 72 LEU C C 175.411 . 1 782 72 72 LEU CA C 52.895 . 1 783 72 72 LEU CB C 44.755 . 1 784 72 72 LEU CD1 C 24.836 . 1 785 72 72 LEU CD2 C 23.824 . 1 786 72 72 LEU N N 130.331 . 1 787 73 73 SER H H 8.057 . 1 788 73 73 SER HA H 5.211 . 1 789 73 73 SER HB2 H 3.758 . 2 790 73 73 SER HB3 H 3.615 . 2 791 73 73 SER C C 174.562 . 1 792 73 73 SER CA C 56.591 . 1 793 73 73 SER CB C 66.336 . 1 794 73 73 SER N N 113.040 . 1 795 74 74 VAL H H 8.799 . 1 796 74 74 VAL HA H 4.705 . 1 797 74 74 VAL HB H 2.208 . 1 798 74 74 VAL HG1 H 0.894 . 2 799 74 74 VAL HG2 H 0.732 . 2 800 74 74 VAL C C 174.122 . 1 801 74 74 VAL CA C 59.403 . 1 802 74 74 VAL CB C 35.474 . 1 803 74 74 VAL CG1 C 21.396 . 1 804 74 74 VAL CG2 C 19.851 . 1 805 74 74 VAL N N 122.721 . 1 806 75 75 MET H H 8.195 . 1 807 75 75 MET HA H 5.922 . 1 808 75 75 MET HB2 H 2.177 . 2 809 75 75 MET HB3 H 2.063 . 2 810 75 75 MET HE H 1.830 . 1 811 75 75 MET HG2 H 2.676 . 2 812 75 75 MET HG3 H 2.559 . 2 813 75 75 MET C C 175.531 . 1 814 75 75 MET CA C 54.021 . 1 815 75 75 MET CB C 34.750 . 1 816 75 75 MET CE C 16.634 . 1 817 75 75 MET CG C 32.076 . 1 818 75 75 MET N N 120.057 . 1 819 76 76 PHE H H 9.394 . 1 820 76 76 PHE HA H 5.004 . 1 821 76 76 PHE HB2 H 3.215 . 2 822 76 76 PHE HB3 H 3.020 . 2 823 76 76 PHE HD1 H 7.379 . 3 824 76 76 PHE HD2 H 7.379 . 3 825 76 76 PHE HE1 H 7.074 . 3 826 76 76 PHE HE2 H 7.074 . 3 827 76 76 PHE HZ H 7.166 . 1 828 76 76 PHE C C 171.623 . 1 829 76 76 PHE CA C 55.802 . 1 830 76 76 PHE CB C 42.072 . 1 831 76 76 PHE CD1 C 133.133 . 3 832 76 76 PHE CD2 C 133.133 . 3 833 76 76 PHE CE1 C 130.200 . 3 834 76 76 PHE CE2 C 130.200 . 3 835 76 76 PHE CZ C 127.508 . 1 836 76 76 PHE N N 120.244 . 1 837 77 77 ARG H H 8.783 . 1 838 77 77 ARG HA H 4.420 . 1 839 77 77 ARG HB2 H 1.335 . 2 840 77 77 ARG HB3 H 1.257 . 2 841 77 77 ARG HD2 H 2.070 . 2 842 77 77 ARG HD3 H 1.736 . 2 843 77 77 ARG HE H 7.511 . 1 844 77 77 ARG HG2 H -0.988 . 2 845 77 77 ARG HG3 H -0.113 . 2 846 77 77 ARG C C 173.455 . 1 847 77 77 ARG CA C 54.218 . 1 848 77 77 ARG CB C 32.439 . 1 849 77 77 ARG CD C 43.619 . 1 850 77 77 ARG CG C 23.695 . 1 851 77 77 ARG N N 121.379 . 1 852 77 77 ARG NE N 84.852 . 1 853 78 78 PHE H H 9.258 . 1 854 78 78 PHE HA H 5.438 . 1 855 78 78 PHE HB2 H 3.273 . 2 856 78 78 PHE HB3 H 2.546 . 2 857 78 78 PHE HD1 H 7.338 . 3 858 78 78 PHE HD2 H 7.338 . 3 859 78 78 PHE HE1 H 6.672 . 3 860 78 78 PHE HE2 H 6.672 . 3 861 78 78 PHE HZ H 7.337 . 1 862 78 78 PHE C C 175.873 . 1 863 78 78 PHE CA C 55.173 . 1 864 78 78 PHE CB C 44.530 . 1 865 78 78 PHE CD1 C 132.000 . 3 866 78 78 PHE CD2 C 132.000 . 3 867 78 78 PHE CE1 C 128.431 . 3 868 78 78 PHE CE2 C 128.431 . 3 869 78 78 PHE CZ C 130.372 . 1 870 78 78 PHE N N 128.097 . 1 871 79 79 ARG H H 9.242 . 1 872 79 79 ARG HA H 4.201 . 1 873 79 79 ARG HB2 H 1.823 . 2 874 79 79 ARG HB3 H 1.256 . 2 875 79 79 ARG HD2 H 2.454 . 2 876 79 79 ARG HD3 H 1.960 . 2 877 79 79 ARG HG2 H 1.290 . 2 878 79 79 ARG HG3 H 0.678 . 2 879 79 79 ARG C C 175.316 . 1 880 79 79 ARG CA C 55.255 . 1 881 79 79 ARG CB C 29.358 . 1 882 79 79 ARG CD C 42.698 . 1 883 79 79 ARG CG C 26.407 . 1 884 79 79 ARG N N 129.898 . 1 885 80 80 SER H H 9.253 . 1 886 80 80 SER HA H 4.772 . 1 887 80 80 SER HB2 H 4.325 . 2 888 80 80 SER HB3 H 4.001 . 2 889 80 80 SER C C 174.983 . 1 890 80 80 SER CA C 58.191 . 1 891 80 80 SER CB C 64.930 . 1 892 80 80 SER N N 128.002 . 1 893 81 81 LYS H H 8.065 . 1 894 81 81 LYS HA H 3.675 . 1 895 81 81 LYS HB2 H 1.435 . 2 896 81 81 LYS HB3 H 0.349 . 2 897 81 81 LYS HD2 H 1.424 . 2 898 81 81 LYS HD3 H 1.351 . 2 899 81 81 LYS HE2 H 2.883 . 2 900 81 81 LYS HE3 H 2.883 . 2 901 81 81 LYS HG2 H 1.260 . 2 902 81 81 LYS HG3 H 1.101 . 2 903 81 81 LYS C C 177.417 . 1 904 81 81 LYS CA C 59.236 . 1 905 81 81 LYS CB C 31.641 . 1 906 81 81 LYS CD C 29.655 . 1 907 81 81 LYS CE C 42.320 . 1 908 81 81 LYS CG C 25.370 . 1 909 81 81 LYS N N 123.505 . 1 910 82 82 ASN H H 7.934 . 1 911 82 82 ASN HA H 4.679 . 1 912 82 82 ASN HB2 H 2.806 . 2 913 82 82 ASN HB3 H 2.721 . 2 914 82 82 ASN HD21 H 7.470 . 2 915 82 82 ASN HD22 H 6.834 . 2 916 82 82 ASN C C 173.949 . 1 917 82 82 ASN CA C 52.764 . 1 918 82 82 ASN CB C 37.428 . 1 919 82 82 ASN N N 115.202 . 1 920 82 82 ASN ND2 N 111.420 . 1 921 83 83 GLN H H 8.099 . 1 922 83 83 GLN HA H 3.382 . 1 923 83 83 GLN HB2 H 2.332 . 2 924 83 83 GLN HB3 H 2.065 . 2 925 83 83 GLN HE21 H 7.298 . 2 926 83 83 GLN HE22 H 6.911 . 2 927 83 83 GLN HG2 H 2.235 . 2 928 83 83 GLN HG3 H 2.092 . 2 929 83 83 GLN C C 174.208 . 1 930 83 83 GLN CA C 56.400 . 1 931 83 83 GLN CB C 25.003 . 1 932 83 83 GLN CG C 33.842 . 1 933 83 83 GLN N N 112.357 . 1 934 83 83 GLN NE2 N 113.752 . 1 935 84 84 GLU H H 7.385 . 1 936 84 84 GLU HA H 4.322 . 1 937 84 84 GLU HB2 H 1.927 . 2 938 84 84 GLU HB3 H 1.803 . 2 939 84 84 GLU HG2 H 2.074 . 2 940 84 84 GLU HG3 H 2.074 . 2 941 84 84 GLU CA C 54.720 . 1 942 84 84 GLU CB C 31.713 . 1 943 84 84 GLU CG C 36.226 . 1 944 84 84 GLU N N 117.557 . 1 945 85 85 TRP H H 8.645 . 1 946 85 85 TRP HA H 5.145 . 1 947 85 85 TRP HB2 H 3.194 . 2 948 85 85 TRP HB3 H 2.660 . 2 949 85 85 TRP HD1 H 7.440 . 1 950 85 85 TRP HE1 H 10.321 . 3 951 85 85 TRP HE3 H 7.141 . 3 952 85 85 TRP HH2 H 6.983 . 1 953 85 85 TRP HZ2 H 7.349 . 3 954 85 85 TRP HZ3 H 7.201 . 3 955 85 85 TRP C C 175.772 . 1 956 85 85 TRP CA C 55.591 . 1 957 85 85 TRP CB C 30.113 . 1 958 85 85 TRP CD1 C 127.961 . 3 959 85 85 TRP CE3 C 119.390 . 3 960 85 85 TRP CH2 C 123.701 . 1 961 85 85 TRP CZ2 C 115.090 . 3 962 85 85 TRP CZ3 C 123.550 . 3 963 85 85 TRP N N 121.388 . 1 964 85 85 TRP NE1 N 129.653 . 1 965 86 86 LEU H H 9.348 . 1 966 86 86 LEU HA H 4.847 . 1 967 86 86 LEU HB2 H 1.983 . 2 968 86 86 LEU HB3 H 1.557 . 2 969 86 86 LEU HD1 H 1.016 . 2 970 86 86 LEU HD2 H 0.932 . 2 971 86 86 LEU HG H 1.807 . 1 972 86 86 LEU C C 176.991 . 1 973 86 86 LEU CA C 53.102 . 1 974 86 86 LEU CB C 44.527 . 1 975 86 86 LEU CD1 C 26.371 . 1 976 86 86 LEU CD2 C 22.938 . 1 977 86 86 LEU N N 126.537 . 1 978 87 87 TRP H H 8.870 . 1 979 87 87 TRP HA H 4.465 . 1 980 87 87 TRP HB2 H 3.221 . 2 981 87 87 TRP HB3 H 3.022 . 2 982 87 87 TRP HD1 H 7.396 . 1 983 87 87 TRP HE1 H 10.064 . 3 984 87 87 TRP HE3 H 7.307 . 3 985 87 87 TRP HH2 H 7.160 . 1 986 87 87 TRP HZ2 H 7.255 . 3 987 87 87 TRP HZ3 H 6.815 . 3 988 87 87 TRP C C 175.731 . 1 989 87 87 TRP CA C 59.207 . 1 990 87 87 TRP CB C 29.736 . 1 991 87 87 TRP CD1 C 126.719 . 3 992 87 87 TRP CE3 C 119.860 . 3 993 87 87 TRP CH2 C 125.022 . 1 994 87 87 TRP CZ2 C 114.330 . 3 995 87 87 TRP CZ3 C 121.700 . 3 996 87 87 TRP N N 123.902 . 1 997 87 87 TRP NE1 N 128.108 . 1 998 88 88 MET H H 9.432 . 1 999 88 88 MET HA H 5.267 . 1 1000 88 88 MET HB2 H 1.569 . 2 1001 88 88 MET HB3 H 1.290 . 2 1002 88 88 MET HE H 1.681 . 1 1003 88 88 MET HG2 H 2.410 . 2 1004 88 88 MET HG3 H 2.136 . 2 1005 88 88 MET C C 174.713 . 1 1006 88 88 MET CA C 52.557 . 1 1007 88 88 MET CB C 36.139 . 1 1008 88 88 MET CE C 19.944 . 1 1009 88 88 MET CG C 33.989 . 1 1010 88 88 MET N N 123.412 . 1 1011 89 89 ARG H H 9.282 . 1 1012 89 89 ARG HA H 5.702 . 1 1013 89 89 ARG HB2 H 1.774 . 2 1014 89 89 ARG HB3 H 1.664 . 2 1015 89 89 ARG HD2 H 3.163 . 2 1016 89 89 ARG HD3 H 3.163 . 2 1017 89 89 ARG HG2 H 1.561 . 2 1018 89 89 ARG HG3 H 1.561 . 2 1019 89 89 ARG C C 177.137 . 1 1020 89 89 ARG CA C 54.266 . 1 1021 89 89 ARG CB C 34.404 . 1 1022 89 89 ARG CD C 43.610 . 1 1023 89 89 ARG CG C 27.837 . 1 1024 89 89 ARG N N 119.570 . 1 1025 90 90 THR H H 9.298 . 1 1026 90 90 THR HA H 5.625 . 1 1027 90 90 THR HB H 4.492 . 1 1028 90 90 THR HG2 H 1.252 . 1 1029 90 90 THR C C 176.787 . 1 1030 90 90 THR CA C 60.327 . 1 1031 90 90 THR CB C 72.187 . 1 1032 90 90 THR CG2 C 24.080 . 1 1033 90 90 THR N N 115.133 . 1 1034 91 91 SER H H 8.194 . 1 1035 91 91 SER HA H 4.860 . 1 1036 91 91 SER HB2 H 3.842 . 2 1037 91 91 SER HB3 H 3.731 . 2 1038 91 91 SER C C 175.171 . 1 1039 91 91 SER CA C 59.224 . 1 1040 91 91 SER CB C 64.094 . 1 1041 91 91 SER N N 114.043 . 1 1042 92 92 SER H H 9.864 . 1 1043 92 92 SER HA H 6.204 . 1 1044 92 92 SER HB2 H 3.828 . 2 1045 92 92 SER HB3 H 3.515 . 2 1046 92 92 SER C C 171.748 . 1 1047 92 92 SER CA C 58.818 . 1 1048 92 92 SER CB C 66.419 . 1 1049 92 92 SER N N 125.442 . 1 1050 93 93 GLN H H 8.873 . 1 1051 93 93 GLN HA H 5.048 . 1 1052 93 93 GLN HB2 H 2.193 . 2 1053 93 93 GLN HB3 H 2.088 . 2 1054 93 93 GLN HE21 H 7.530 . 2 1055 93 93 GLN HE22 H 6.583 . 2 1056 93 93 GLN HG2 H 2.504 . 2 1057 93 93 GLN HG3 H 2.097 . 2 1058 93 93 GLN C C 174.145 . 1 1059 93 93 GLN CA C 54.262 . 1 1060 93 93 GLN CB C 33.131 . 1 1061 93 93 GLN CG C 31.663 . 1 1062 93 93 GLN N N 117.328 . 1 1063 93 93 GLN NE2 N 112.172 . 1 1064 94 94 THR H H 8.846 . 1 1065 94 94 THR HA H 3.979 . 1 1066 94 94 THR HB H 4.267 . 1 1067 94 94 THR HG2 H 1.415 . 1 1068 94 94 THR C C 174.677 . 1 1069 94 94 THR CA C 64.467 . 1 1070 94 94 THR CB C 68.894 . 1 1071 94 94 THR CG2 C 23.542 . 1 1072 94 94 THR N N 116.526 . 1 1073 95 95 ALA H H 8.188 . 1 1074 95 95 ALA HA H 4.161 . 1 1075 95 95 ALA HB H 1.396 . 1 1076 95 95 ALA C C 176.285 . 1 1077 95 95 ALA CA C 51.847 . 1 1078 95 95 ALA CB C 18.999 . 1 1079 95 95 ALA N N 126.311 . 1 1080 96 96 GLN H H 8.324 . 1 1081 96 96 GLN HA H 4.175 . 1 1082 96 96 GLN HB2 H 2.199 . 2 1083 96 96 GLN HB3 H 1.920 . 2 1084 96 96 GLN HE21 H 7.765 . 2 1085 96 96 GLN HE22 H 6.834 . 2 1086 96 96 GLN HG2 H 2.496 . 2 1087 96 96 GLN HG3 H 2.496 . 2 1088 96 96 GLN C C 176.230 . 1 1089 96 96 GLN CA C 54.621 . 1 1090 96 96 GLN CB C 30.003 . 1 1091 96 96 GLN CG C 33.692 . 1 1092 96 96 GLN N N 116.920 . 1 1093 96 96 GLN NE2 N 114.298 . 1 1094 97 97 ASN H H 8.512 . 1 1095 97 97 ASN HA H 4.436 . 1 1096 97 97 ASN HB2 H 2.684 . 2 1097 97 97 ASN HB3 H 2.663 . 2 1098 97 97 ASN CA C 52.928 . 1 1099 97 97 ASN CB C 37.851 . 1 1100 97 97 ASN N N 119.656 . 1 1101 98 98 PRO HA H 4.566 . 1 1102 98 98 PRO HB2 H 2.134 . 2 1103 98 98 PRO HB3 H 1.816 . 2 1104 98 98 PRO HD2 H 3.212 . 2 1105 98 98 PRO HD3 H 2.874 . 2 1106 98 98 PRO HG2 H 1.578 . 2 1107 98 98 PRO HG3 H 0.384 . 2 1108 98 98 PRO C C 175.164 . 1 1109 98 98 PRO CA C 63.824 . 1 1110 98 98 PRO CB C 32.473 . 1 1111 98 98 PRO CD C 50.160 . 1 1112 98 98 PRO CG C 23.360 . 1 1113 99 99 TYR H H 8.780 . 1 1114 99 99 TYR HA H 4.996 . 1 1115 99 99 TYR HB2 H 3.017 . 2 1116 99 99 TYR HB3 H 2.687 . 2 1117 99 99 TYR HD1 H 6.999 . 3 1118 99 99 TYR HD2 H 6.999 . 3 1119 99 99 TYR HE1 H 6.694 . 3 1120 99 99 TYR HE2 H 6.694 . 3 1121 99 99 TYR C C 176.421 . 1 1122 99 99 TYR CA C 55.837 . 1 1123 99 99 TYR CB C 37.199 . 1 1124 99 99 TYR CD1 C 132.752 . 3 1125 99 99 TYR CD2 C 132.752 . 3 1126 99 99 TYR CE1 C 118.063 . 3 1127 99 99 TYR CE2 C 118.063 . 3 1128 99 99 TYR N N 127.975 . 1 1129 100 100 SER H H 7.655 . 1 1130 100 100 SER HA H 4.274 . 1 1131 100 100 SER HB2 H 3.974 . 2 1132 100 100 SER HB3 H 3.789 . 2 1133 100 100 SER C C 174.144 . 1 1134 100 100 SER CA C 60.567 . 1 1135 100 100 SER CB C 63.266 . 1 1136 100 100 SER N N 113.164 . 1 1137 101 101 ASP H H 8.736 . 1 1138 101 101 ASP HA H 4.688 . 1 1139 101 101 ASP HB2 H 2.757 . 2 1140 101 101 ASP HB3 H 2.757 . 2 1141 101 101 ASP C C 175.535 . 1 1142 101 101 ASP CA C 54.103 . 1 1143 101 101 ASP CB C 40.098 . 1 1144 101 101 ASP N N 118.476 . 1 1145 102 102 GLU H H 8.127 . 1 1146 102 102 GLU HA H 4.448 . 1 1147 102 102 GLU HB2 H 1.926 . 2 1148 102 102 GLU HB3 H 1.864 . 2 1149 102 102 GLU HG2 H 2.249 . 2 1150 102 102 GLU HG3 H 1.856 . 2 1151 102 102 GLU CA C 54.963 . 1 1152 102 102 GLU CB C 31.769 . 1 1153 102 102 GLU CG C 36.790 . 1 1154 102 102 GLU N N 119.744 . 1 1155 103 103 ILE H H 8.645 . 1 1156 103 103 ILE HA H 4.001 . 1 1157 103 103 ILE HB H 0.412 . 1 1158 103 103 ILE HD1 H 0.676 . 1 1159 103 103 ILE HG12 H 1.207 . 1 1160 103 103 ILE HG13 H 0.638 . 1 1161 103 103 ILE HG2 H 0.573 . 2 1162 103 103 ILE C C 174.065 . 1 1163 103 103 ILE CA C 60.418 . 1 1164 103 103 ILE CB C 40.781 . 1 1165 103 103 ILE CD1 C 15.168 . 1 1166 103 103 ILE CG1 C 28.130 . 2 1167 103 103 ILE CG2 C 18.143 . 1 1168 103 103 ILE N N 121.388 . 1 1169 104 104 GLU H H 8.957 . 1 1170 104 104 GLU HA H 5.099 . 1 1171 104 104 GLU HB2 H 2.081 . 2 1172 104 104 GLU HB3 H 1.788 . 2 1173 104 104 GLU HG2 H 2.265 . 2 1174 104 104 GLU HG3 H 2.019 . 2 1175 104 104 GLU C C 175.093 . 1 1176 104 104 GLU CA C 54.898 . 1 1177 104 104 GLU CB C 32.330 . 1 1178 104 104 GLU CG C 38.257 . 1 1179 104 104 GLU N N 125.935 . 1 1180 105 105 THR H H 8.774 . 1 1181 105 105 THR HA H 5.226 . 1 1182 105 105 THR HB H 4.008 . 1 1183 105 105 THR HG2 H 1.081 . 1 1184 105 105 THR C C 174.876 . 1 1185 105 105 THR CA C 61.469 . 1 1186 105 105 THR CB C 70.382 . 1 1187 105 105 THR CG2 C 23.390 . 1 1188 105 105 THR N N 127.200 . 1 1189 106 106 ILE H H 9.186 . 1 1190 106 106 ILE HA H 4.486 . 1 1191 106 106 ILE HB H 1.803 . 1 1192 106 106 ILE HD1 H 0.905 . 1 1193 106 106 ILE HG12 H 1.063 . 1 1194 106 106 ILE HG13 H 1.063 . 1 1195 106 106 ILE HG2 H 0.742 . 2 1196 106 106 ILE C C 175.412 . 1 1197 106 106 ILE CA C 61.423 . 1 1198 106 106 ILE CB C 38.432 . 1 1199 106 106 ILE CD1 C 13.576 . 1 1200 106 106 ILE CG2 C 17.801 . 1 1201 106 106 ILE N N 107.991 . 1 1202 107 107 ILE H H 8.431 . 1 1203 107 107 ILE HA H 4.239 . 1 1204 107 107 ILE HB H 0.592 . 1 1205 107 107 ILE HD1 H 0.932 . 1 1206 107 107 ILE HG12 H 1.465 . 1 1207 107 107 ILE HG13 H 0.709 . 1 1208 107 107 ILE HG2 H 0.697 . 2 1209 107 107 ILE C C 173.805 . 1 1210 107 107 ILE CA C 61.459 . 1 1211 107 107 ILE CB C 37.499 . 1 1212 107 107 ILE CD1 C 13.362 . 1 1213 107 107 ILE CG1 C 29.120 . 2 1214 107 107 ILE CG2 C 18.396 . 1 1215 107 107 ILE N N 129.202 . 1 1216 108 108 CYS H H 8.581 . 1 1217 108 108 CYS HA H 5.298 . 1 1218 108 108 CYS HB2 H 2.979 . 2 1219 108 108 CYS HB3 H 2.886 . 2 1220 108 108 CYS C C 174.235 . 1 1221 108 108 CYS CA C 55.861 . 1 1222 108 108 CYS CB C 31.110 . 1 1223 108 108 CYS N N 124.561 . 1 1224 109 109 THR H H 8.701 . 1 1225 109 109 THR HA H 4.733 . 1 1226 109 109 THR HB H 4.385 . 1 1227 109 109 THR HG2 H 1.352 . 1 1228 109 109 THR C C 174.927 . 1 1229 109 109 THR CA C 63.466 . 1 1230 109 109 THR CB C 69.636 . 1 1231 109 109 THR CG2 C 22.410 . 1 1232 109 109 THR N N 119.017 . 1 1233 110 110 ASN H H 8.527 . 1 1234 110 110 ASN HA H 4.891 . 1 1235 110 110 ASN HB2 H 2.830 . 2 1236 110 110 ASN HB3 H 2.467 . 2 1237 110 110 ASN HD21 H 7.338 . 2 1238 110 110 ASN HD22 H 6.819 . 2 1239 110 110 ASN C C 174.829 . 1 1240 110 110 ASN CA C 53.104 . 1 1241 110 110 ASN CB C 39.813 . 1 1242 110 110 ASN N N 122.861 . 1 1243 110 110 ASN ND2 N 112.388 . 1 1244 111 111 THR H H 8.159 . 1 1245 111 111 THR HA H 4.407 . 1 1246 111 111 THR HB H 4.331 . 1 1247 111 111 THR HG2 H 1.210 . 1 1248 111 111 THR C C 174.189 . 1 1249 111 111 THR CA C 61.900 . 1 1250 111 111 THR CB C 69.400 . 1 1251 111 111 THR CG2 C 21.810 . 1 1252 111 111 THR N N 114.879 . 1 1253 112 112 ASN H H 8.359 . 1 1254 112 112 ASN N N 121.000 . 1 1255 117 117 SER C C 174.242 . 1 1256 117 117 SER CA C 58.557 . 1 1257 117 117 SER CB C 63.729 . 1 1258 118 118 GLN H H 8.304 . 1 1259 118 118 GLN C C 174.889 . 1 1260 118 118 GLN CA C 55.764 . 1 1261 118 118 GLN CB C 29.659 . 1 1262 118 118 GLN N N 122.171 . 1 1263 119 119 GLU H H 8.007 . 1 1264 119 119 GLU CA C 58.087 . 1 1265 119 119 GLU CB C 31.104 . 1 1266 119 119 GLU N N 127.397 . 1 stop_ save_