data_17477 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the Mouse MFG-E8 C2 Domain ; _BMRB_accession_number 17477 _BMRB_flat_file_name bmr17477.str _Entry_type original _Submission_date 2011-02-21 _Accession_date 2011-02-21 _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 Ye Hong . . 2 Subramanian Vivekanandan . . 3 Yu Liang . . 4 Yoon 'Ho Sup' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 821 "13C chemical shifts" 573 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-07 update BMRB 'update entry citation, assignments, etc.' 2012-08-31 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR solution structure of C2 domain of MFG-E8 and insights into its molecular recognition with phosphatidylserine' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23262193 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ye Hong . . 2 Li Baihong . . 3 Subramanian Vivekanandan . . 4 Choi Bo-Hwa . . 5 Yu Liang . . 6 Harikishore Amaravadhi . . 7 Harikishore Amaravadhi . . 8 Chakraborty Goutam . . 9 Baek Kwanghee . . 10 Yoon 'Ho Sup' . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et Biophysica Acta (BBA) - Biomembranes' _Journal_volume 1828 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1083 _Page_last 1093 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mouse MFG-E8 C2 Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MFG-E8_C2_domain $MFG-E8_C2_domain 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_MFG-E8_C2_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MFG-E8_C2_domain _Molecular_mass 18609.027 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; MKSGHGCSEPLGLKNNTIPD SQMSASSSYKTWNLRAFGWY PHLGRLDNQGKINAWTAQSN SAKEWLQVDLGTQRQVTGII TQGARDFGHIQYVASYKVAH SDDGVQWTVYEEQGSSKVFQ GNLDNNSHKKNIFEKPFMAR YVRVLPVSWHNRITLRLELL GCLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 MET 2 -4 LYS 3 -3 SER 4 -2 GLY 5 -1 HIS 6 0 GLY 7 1 CYS 8 2 SER 9 3 GLU 10 4 PRO 11 5 LEU 12 6 GLY 13 7 LEU 14 8 LYS 15 9 ASN 16 10 ASN 17 11 THR 18 12 ILE 19 13 PRO 20 14 ASP 21 15 SER 22 16 GLN 23 17 MET 24 18 SER 25 19 ALA 26 20 SER 27 21 SER 28 22 SER 29 23 TYR 30 24 LYS 31 25 THR 32 26 TRP 33 27 ASN 34 28 LEU 35 29 ARG 36 30 ALA 37 31 PHE 38 32 GLY 39 33 TRP 40 34 TYR 41 35 PRO 42 36 HIS 43 37 LEU 44 38 GLY 45 39 ARG 46 40 LEU 47 41 ASP 48 42 ASN 49 43 GLN 50 44 GLY 51 45 LYS 52 46 ILE 53 47 ASN 54 48 ALA 55 49 TRP 56 50 THR 57 51 ALA 58 52 GLN 59 53 SER 60 54 ASN 61 55 SER 62 56 ALA 63 57 LYS 64 58 GLU 65 59 TRP 66 60 LEU 67 61 GLN 68 62 VAL 69 63 ASP 70 64 LEU 71 65 GLY 72 66 THR 73 67 GLN 74 68 ARG 75 69 GLN 76 70 VAL 77 71 THR 78 72 GLY 79 73 ILE 80 74 ILE 81 75 THR 82 76 GLN 83 77 GLY 84 78 ALA 85 79 ARG 86 80 ASP 87 81 PHE 88 82 GLY 89 83 HIS 90 84 ILE 91 85 GLN 92 86 TYR 93 87 VAL 94 88 ALA 95 89 SER 96 90 TYR 97 91 LYS 98 92 VAL 99 93 ALA 100 94 HIS 101 95 SER 102 96 ASP 103 97 ASP 104 98 GLY 105 99 VAL 106 100 GLN 107 101 TRP 108 102 THR 109 103 VAL 110 104 TYR 111 105 GLU 112 106 GLU 113 107 GLN 114 108 GLY 115 109 SER 116 110 SER 117 111 LYS 118 112 VAL 119 113 PHE 120 114 GLN 121 115 GLY 122 116 ASN 123 117 LEU 124 118 ASP 125 119 ASN 126 120 ASN 127 121 SER 128 122 HIS 129 123 LYS 130 124 LYS 131 125 ASN 132 126 ILE 133 127 PHE 134 128 GLU 135 129 LYS 136 130 PRO 137 131 PHE 138 132 MET 139 133 ALA 140 134 ARG 141 135 TYR 142 136 VAL 143 137 ARG 144 138 VAL 145 139 LEU 146 140 PRO 147 141 VAL 148 142 SER 149 143 TRP 150 144 HIS 151 145 ASN 152 146 ARG 153 147 ILE 154 148 THR 155 149 LEU 156 150 ARG 157 151 LEU 158 152 GLU 159 153 LEU 160 154 LEU 161 155 GLY 162 156 CYS 163 157 LEU 164 158 GLU 165 159 HIS 166 160 HIS 167 161 HIS 168 162 HIS 169 163 HIS 170 164 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-25 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 BMRB 15558 C2_domain 100.00 170 100.00 100.00 9.22e-124 PDB 2L9L "Nmr Structure Of The Mouse Mfg-e8 C2 Domain" 100.00 170 100.00 100.00 9.22e-124 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MFG-E8_C2_domain 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $MFG-E8_C2_domain 'recombinant technology' . Escherichia coli . pET29b 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 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' $MFG-E8_C2_domain 0.8 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' $MFG-E8_C2_domain 0.8 mM '[U-13C; U-15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CC)(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 6.5 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D H(CC)(CO)NH' '3D (H)CC(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MFG-E8_C2_domain _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 -3 3 SER HA H 4.340 0.020 1 2 -3 3 SER HB2 H 3.730 0.020 2 3 -3 3 SER HB3 H 3.730 0.020 2 4 -3 3 SER C C 172.158 0.400 1 5 -3 3 SER CA C 55.596 0.400 1 6 -3 3 SER CB C 61.140 0.400 1 7 -2 4 GLY H H 8.419 0.020 1 8 -2 4 GLY HA2 H 3.830 0.020 2 9 -2 4 GLY HA3 H 3.830 0.020 2 10 -2 4 GLY C C 171.344 0.400 1 11 -2 4 GLY CA C 42.540 0.400 1 12 -2 4 GLY N N 110.700 0.400 1 13 -1 5 HIS H H 8.310 0.020 1 14 -1 5 HIS HA H 4.496 0.020 1 15 -1 5 HIS HB2 H 3.044 0.020 2 16 -1 5 HIS HB3 H 2.950 0.020 2 17 -1 5 HIS C C 173.122 0.400 1 18 -1 5 HIS CA C 53.449 0.400 1 19 -1 5 HIS CB C 27.900 0.400 1 20 -1 5 HIS N N 118.750 0.400 1 21 0 6 GLY H H 8.414 0.020 1 22 0 6 GLY HA2 H 3.830 0.020 2 23 0 6 GLY HA3 H 3.830 0.020 2 24 0 6 GLY C C 171.322 0.400 1 25 0 6 GLY CA C 42.572 0.400 1 26 0 6 GLY N N 110.625 0.400 1 27 1 7 CYS H H 8.322 0.020 1 28 1 7 CYS HA H 4.569 0.020 1 29 1 7 CYS HB2 H 3.211 0.020 2 30 1 7 CYS HB3 H 3.211 0.020 2 31 1 7 CYS C C 171.313 0.400 1 32 1 7 CYS CA C 53.315 0.400 1 33 1 7 CYS CB C 42.748 0.400 1 34 1 7 CYS N N 118.533 0.400 1 35 2 8 SER H H 8.726 0.020 1 36 2 8 SER HA H 4.120 0.020 1 37 2 8 SER HB2 H 3.547 0.020 2 38 2 8 SER HB3 H 3.547 0.020 2 39 2 8 SER C C 170.189 0.400 1 40 2 8 SER CA C 54.031 0.400 1 41 2 8 SER CB C 60.184 0.400 1 42 2 8 SER N N 118.750 0.400 1 43 3 9 GLU H H 8.372 0.020 1 44 3 9 GLU HA H 4.389 0.020 1 45 3 9 GLU HB2 H 2.226 0.020 2 46 3 9 GLU HB3 H 2.109 0.020 2 47 3 9 GLU HG2 H 1.922 0.020 2 48 3 9 GLU HG3 H 1.860 0.020 2 49 3 9 GLU CA C 50.860 0.400 1 50 3 9 GLU CB C 27.660 0.400 1 51 3 9 GLU CG C 33.372 0.400 1 52 3 9 GLU N N 122.438 0.400 1 53 4 10 PRO HA H 4.560 0.020 1 54 4 10 PRO HB2 H 2.168 0.020 2 55 4 10 PRO HB3 H 2.087 0.020 2 56 4 10 PRO HG2 H 1.903 0.020 2 57 4 10 PRO HG3 H 1.736 0.020 2 58 4 10 PRO HD2 H 3.621 0.020 2 59 4 10 PRO HD3 H 3.588 0.020 2 60 4 10 PRO C C 175.797 0.400 1 61 4 10 PRO CA C 59.984 0.400 1 62 4 10 PRO CB C 30.041 0.400 1 63 4 10 PRO CG C 29.967 0.400 1 64 4 10 PRO CD C 48.998 0.400 1 65 5 11 LEU H H 8.798 0.020 1 66 5 11 LEU HA H 4.169 0.020 1 67 5 11 LEU HB2 H 1.507 0.020 2 68 5 11 LEU HB3 H 1.350 0.020 2 69 5 11 LEU HG H 1.350 0.020 1 70 5 11 LEU HD1 H 0.634 0.020 2 71 5 11 LEU HD2 H 0.501 0.020 2 72 5 11 LEU C C 173.756 0.400 1 73 5 11 LEU CA C 52.713 0.400 1 74 5 11 LEU CB C 39.091 0.400 1 75 5 11 LEU CG C 30.064 0.400 1 76 5 11 LEU CD1 C 23.843 0.400 1 77 5 11 LEU CD2 C 23.843 0.400 1 78 5 11 LEU N N 121.877 0.400 1 79 6 12 GLY H H 7.048 0.020 1 80 6 12 GLY HA2 H 4.541 0.020 2 81 6 12 GLY HA3 H 4.088 0.020 2 82 6 12 GLY C C 172.634 0.400 1 83 6 12 GLY CA C 43.997 0.400 1 84 6 12 GLY N N 102.751 0.400 1 85 7 13 LEU H H 9.924 0.020 1 86 7 13 LEU HA H 4.287 0.020 1 87 7 13 LEU HB2 H 2.375 0.020 2 88 7 13 LEU HB3 H 1.379 0.020 2 89 7 13 LEU HG H 1.682 0.020 1 90 7 13 LEU HD1 H 0.901 0.020 2 91 7 13 LEU HD2 H 0.906 0.020 2 92 7 13 LEU C C 177.327 0.400 1 93 7 13 LEU CA C 54.623 0.400 1 94 7 13 LEU CB C 37.747 0.400 1 95 7 13 LEU CG C 25.841 0.400 1 96 7 13 LEU CD1 C 23.371 0.400 1 97 7 13 LEU CD2 C 22.746 0.400 1 98 7 13 LEU N N 124.313 0.400 1 99 8 14 LYS H H 9.345 0.020 1 100 8 14 LYS HA H 3.884 0.020 1 101 8 14 LYS HB2 H 1.871 0.020 2 102 8 14 LYS HB3 H 1.789 0.020 2 103 8 14 LYS C C 175.020 0.400 1 104 8 14 LYS CA C 57.131 0.400 1 105 8 14 LYS CB C 30.178 0.400 1 106 8 14 LYS CG C 22.095 0.400 1 107 8 14 LYS CD C 30.371 0.400 1 108 8 14 LYS CE C 39.277 0.400 1 109 8 14 LYS N N 122.116 0.400 1 110 9 15 ASN H H 8.443 0.020 1 111 9 15 ASN HA H 4.491 0.020 1 112 9 15 ASN HB2 H 3.153 0.020 2 113 9 15 ASN HB3 H 2.587 0.020 2 114 9 15 ASN HD21 H 7.302 0.020 2 115 9 15 ASN HD22 H 6.685 0.020 2 116 9 15 ASN C C 172.704 0.400 1 117 9 15 ASN CA C 48.998 0.400 1 118 9 15 ASN CB C 34.622 0.400 1 119 9 15 ASN N N 112.751 0.400 1 120 9 15 ASN ND2 N 112.269 0.400 1 121 10 16 ASN H H 7.294 0.020 1 122 10 16 ASN HA H 4.188 0.020 1 123 10 16 ASN HB2 H 2.910 0.020 2 124 10 16 ASN HB3 H 2.861 0.020 2 125 10 16 ASN HD21 H 6.944 0.020 2 126 10 16 ASN HD22 H 7.355 0.020 2 127 10 16 ASN C C 171.562 0.400 1 128 10 16 ASN CA C 49.103 0.400 1 129 10 16 ASN CB C 34.622 0.400 1 130 10 16 ASN N N 109.313 0.400 1 131 10 16 ASN ND2 N 109.692 0.400 1 132 11 17 THR H H 8.265 0.020 1 133 11 17 THR HA H 4.084 0.020 1 134 11 17 THR HB H 4.189 0.020 1 135 11 17 THR HG2 H 1.096 0.020 1 136 11 17 THR C C 174.861 0.400 1 137 11 17 THR CA C 62.123 0.400 1 138 11 17 THR CB C 66.498 0.400 1 139 11 17 THR CG2 C 18.996 0.400 1 140 11 17 THR N N 112.438 0.400 1 141 12 18 ILE H H 7.719 0.020 1 142 12 18 ILE HA H 4.187 0.020 1 143 12 18 ILE HB H 1.785 0.020 1 144 12 18 ILE HG12 H 1.252 0.020 2 145 12 18 ILE HG13 H 1.252 0.020 2 146 12 18 ILE HG2 H 0.747 0.020 1 147 12 18 ILE HD1 H 0.583 0.020 1 148 12 18 ILE CA C 54.910 0.400 1 149 12 18 ILE CB C 34.970 0.400 1 150 12 18 ILE N N 124.313 0.400 1 151 13 19 PRO HA H 4.488 0.020 1 152 13 19 PRO HB2 H 2.236 0.020 2 153 13 19 PRO HB3 H 2.236 0.020 2 154 13 19 PRO HG2 H 1.953 0.020 2 155 13 19 PRO HG3 H 1.953 0.020 2 156 13 19 PRO HD2 H 3.724 0.020 2 157 13 19 PRO HD3 H 3.724 0.020 2 158 13 19 PRO C C 174.187 0.400 1 159 13 19 PRO CA C 59.682 0.400 1 160 13 19 PRO CB C 30.300 0.400 1 161 13 19 PRO CG C 25.246 0.400 1 162 13 19 PRO CD C 48.806 0.400 1 163 14 20 ASP H H 8.634 0.020 1 164 14 20 ASP HA H 4.014 0.020 1 165 14 20 ASP HB2 H 2.349 0.020 2 166 14 20 ASP HB3 H 2.037 0.020 2 167 14 20 ASP C C 175.085 0.400 1 168 14 20 ASP CA C 55.248 0.400 1 169 14 20 ASP CB C 37.747 0.400 1 170 14 20 ASP N N 120.875 0.400 1 171 15 21 SER H H 8.031 0.020 1 172 15 21 SER HA H 4.066 0.020 1 173 15 21 SER HB2 H 3.910 0.020 2 174 15 21 SER HB3 H 3.768 0.020 2 175 15 21 SER C C 173.079 0.400 1 176 15 21 SER CA C 57.230 0.400 1 177 15 21 SER CB C 59.603 0.400 1 178 15 21 SER N N 110.286 0.400 1 179 16 22 GLN H H 7.678 0.020 1 180 16 22 GLN HA H 4.364 0.020 1 181 16 22 GLN HB2 H 1.808 0.020 2 182 16 22 GLN HB3 H 1.808 0.020 2 183 16 22 GLN HG2 H 2.407 0.020 2 184 16 22 GLN HG3 H 2.047 0.020 2 185 16 22 GLN C C 172.098 0.400 1 186 16 22 GLN CA C 53.998 0.400 1 187 16 22 GLN CB C 26.110 0.400 1 188 16 22 GLN CG C 34.236 0.400 1 189 16 22 GLN N N 119.938 0.400 1 190 17 23 MET H H 7.883 0.020 1 191 17 23 MET HA H 5.302 0.020 1 192 17 23 MET HB2 H 1.818 0.020 2 193 17 23 MET HB3 H 1.720 0.020 2 194 17 23 MET HG2 H 2.058 0.020 2 195 17 23 MET HG3 H 2.058 0.020 2 196 17 23 MET HE H 1.025 0.020 1 197 17 23 MET C C 170.918 0.400 1 198 17 23 MET CA C 52.871 0.400 1 199 17 23 MET CB C 31.500 0.400 1 200 17 23 MET CG C 31.500 0.400 1 201 17 23 MET CE C 20.686 0.400 1 202 17 23 MET N N 121.500 0.400 1 203 18 24 SER H H 9.217 0.020 1 204 18 24 SER HA H 4.623 0.020 1 205 18 24 SER HB2 H 3.922 0.020 2 206 18 24 SER HB3 H 3.922 0.020 2 207 18 24 SER C C 173.500 0.400 1 208 18 24 SER CA C 54.611 0.400 1 209 18 24 SER CB C 63.620 0.400 1 210 18 24 SER N N 115.858 0.400 1 211 19 25 ALA H H 8.414 0.020 1 212 19 25 ALA HA H 4.480 0.020 1 213 19 25 ALA HB H 1.025 0.020 1 214 19 25 ALA C C 173.750 0.400 1 215 19 25 ALA CA C 48.998 0.400 1 216 19 25 ALA CB C 22.121 0.400 1 217 19 25 ALA N N 118.063 0.400 1 218 20 26 SER H H 7.323 0.020 1 219 20 26 SER HA H 5.650 0.020 1 220 20 26 SER HB2 H 2.865 0.020 2 221 20 26 SER HB3 H 2.865 0.020 2 222 20 26 SER C C 172.409 0.400 1 223 20 26 SER CA C 57.180 0.400 1 224 20 26 SER CB C 63.080 0.400 1 225 20 26 SER N N 115.209 0.400 1 226 21 27 SER H H 7.521 0.020 1 227 21 27 SER HA H 4.492 0.020 1 228 21 27 SER HB2 H 4.104 0.020 2 229 21 27 SER HB3 H 3.745 0.020 2 230 21 27 SER C C 169.771 0.400 1 231 21 27 SER CA C 55.860 0.400 1 232 21 27 SER CB C 61.049 0.400 1 233 21 27 SER N N 112.444 0.400 1 234 22 28 SER H H 8.603 0.020 1 235 22 28 SER HA H 5.231 0.020 1 236 22 28 SER HB2 H 3.684 0.020 2 237 22 28 SER HB3 H 3.572 0.020 2 238 22 28 SER C C 169.778 0.400 1 239 22 28 SER CA C 55.940 0.400 1 240 22 28 SER CB C 63.580 0.400 1 241 22 28 SER N N 111.275 0.400 1 242 23 29 TYR H H 8.348 0.020 1 243 23 29 TYR HA H 4.126 0.020 1 244 23 29 TYR HB2 H 2.526 0.020 2 245 23 29 TYR HB3 H 1.856 0.020 2 246 23 29 TYR C C 170.819 0.400 1 247 23 29 TYR CA C 55.030 0.400 1 248 23 29 TYR CB C 37.430 0.400 1 249 23 29 TYR N N 126.113 0.400 1 250 24 30 LYS H H 7.681 0.020 1 251 24 30 LYS HA H 4.297 0.020 1 252 24 30 LYS HB2 H 1.748 0.020 2 253 24 30 LYS HB3 H 1.748 0.020 2 254 24 30 LYS HG2 H 1.571 0.020 2 255 24 30 LYS HG3 H 1.571 0.020 2 256 24 30 LYS HD2 H 1.650 0.020 2 257 24 30 LYS HD3 H 1.650 0.020 2 258 24 30 LYS HE2 H 2.530 0.020 2 259 24 30 LYS HE3 H 1.889 0.020 2 260 24 30 LYS CA C 51.700 0.400 1 261 24 30 LYS CB C 30.900 0.400 1 262 24 30 LYS N N 126.567 0.400 1 263 30 36 ALA HA H 4.179 0.020 1 264 30 36 ALA HB H 1.016 0.020 1 265 30 36 ALA C C 175.027 0.400 1 266 30 36 ALA CA C 50.873 0.400 1 267 30 36 ALA CB C 15.871 0.400 1 268 31 37 PHE H H 7.773 0.020 1 269 31 37 PHE HA H 4.683 0.020 1 270 31 37 PHE HB2 H 3.272 0.020 2 271 31 37 PHE HB3 H 3.013 0.020 2 272 31 37 PHE C C 171.796 0.400 1 273 31 37 PHE CA C 52.425 0.400 1 274 31 37 PHE CB C 36.420 0.400 1 275 31 37 PHE N N 117.750 0.400 1 276 32 38 GLY H H 6.889 0.020 1 277 32 38 GLY HA2 H 4.171 0.020 2 278 32 38 GLY HA3 H 2.310 0.020 2 279 32 38 GLY C C 170.875 0.400 1 280 32 38 GLY CA C 42.122 0.400 1 281 32 38 GLY N N 103.376 0.400 1 282 33 39 TRP H H 8.014 0.020 1 283 33 39 TRP HA H 4.493 0.020 1 284 33 39 TRP HB2 H 3.013 0.020 2 285 33 39 TRP HB3 H 2.960 0.020 2 286 33 39 TRP HE1 H 9.973 0.020 1 287 33 39 TRP CA C 53.373 0.400 1 288 33 39 TRP CB C 27.747 0.400 1 289 33 39 TRP N N 120.563 0.400 1 290 33 39 TRP NE1 N 130.100 0.400 1 291 35 41 PRO HA H 4.095 0.020 1 292 35 41 PRO HB2 H 2.142 0.020 2 293 35 41 PRO HB3 H 2.142 0.020 2 294 35 41 PRO HG2 H 1.616 0.020 2 295 35 41 PRO HG3 H 1.494 0.020 2 296 35 41 PRO C C 175.123 0.400 1 297 35 41 PRO CA C 62.474 0.400 1 298 35 41 PRO CB C 28.530 0.400 1 299 35 41 PRO CG C 26.605 0.400 1 300 35 41 PRO CD C 48.177 0.400 1 301 36 42 HIS H H 7.095 0.020 1 302 36 42 HIS HA H 5.363 0.020 1 303 36 42 HIS HB2 H 3.698 0.020 2 304 36 42 HIS HB3 H 2.992 0.020 2 305 36 42 HIS HD2 H 6.816 0.020 1 306 36 42 HIS C C 172.797 0.400 1 307 36 42 HIS CA C 54.623 0.400 1 308 36 42 HIS CB C 26.496 0.400 1 309 36 42 HIS N N 107.438 0.400 1 310 37 43 LEU H H 7.362 0.020 1 311 37 43 LEU HA H 4.124 0.020 1 312 37 43 LEU HB2 H 1.703 0.020 2 313 37 43 LEU HB3 H 1.703 0.020 2 314 37 43 LEU HD1 H 0.836 0.020 2 315 37 43 LEU HD2 H 0.743 0.020 2 316 37 43 LEU C C 177.068 0.400 1 317 37 43 LEU CA C 51.500 0.400 1 318 37 43 LEU CB C 38.010 0.400 1 319 37 43 LEU CD1 C 24.101 0.400 1 320 37 43 LEU CD2 C 24.101 0.400 1 321 37 43 LEU N N 119.077 0.400 1 322 38 44 GLY H H 8.259 0.020 1 323 38 44 GLY HA2 H 4.792 0.020 2 324 38 44 GLY HA3 H 3.478 0.020 2 325 38 44 GLY C C 171.943 0.400 1 326 38 44 GLY CA C 46.497 0.400 1 327 38 44 GLY N N 109.626 0.400 1 328 39 45 ARG H H 8.346 0.020 1 329 39 45 ARG HA H 4.648 0.020 1 330 39 45 ARG HB2 H 1.558 0.020 2 331 39 45 ARG HB3 H 1.558 0.020 2 332 39 45 ARG HG2 H 1.147 0.020 2 333 39 45 ARG HG3 H 1.147 0.020 2 334 39 45 ARG HD2 H 2.949 0.020 2 335 39 45 ARG HD3 H 2.949 0.020 2 336 39 45 ARG C C 172.685 0.400 1 337 39 45 ARG CA C 51.878 0.400 1 338 39 45 ARG CB C 31.146 0.400 1 339 39 45 ARG CG C 26.221 0.400 1 340 39 45 ARG N N 123.688 0.400 1 341 40 46 LEU H H 7.469 0.020 1 342 40 46 LEU HA H 3.546 0.020 1 343 40 46 LEU HB2 H 1.494 0.020 2 344 40 46 LEU HB3 H 1.494 0.020 2 345 40 46 LEU HG H 0.976 0.020 1 346 40 46 LEU HD1 H 0.326 0.020 2 347 40 46 LEU HD2 H 0.326 0.020 2 348 40 46 LEU C C 172.320 0.400 1 349 40 46 LEU CA C 53.212 0.400 1 350 40 46 LEU CB C 41.790 0.400 1 351 40 46 LEU CD1 C 23.140 0.400 1 352 40 46 LEU CD2 C 23.140 0.400 1 353 40 46 LEU N N 125.010 0.400 1 354 41 47 ASP H H 10.297 0.020 1 355 41 47 ASP HA H 4.250 0.020 1 356 41 47 ASP HB2 H 3.042 0.020 2 357 41 47 ASP HB3 H 2.783 0.020 2 358 41 47 ASP C C 173.206 0.400 1 359 41 47 ASP CA C 53.373 0.400 1 360 41 47 ASP CB C 36.496 0.400 1 361 41 47 ASP N N 119.625 0.400 1 362 42 48 ASN H H 8.217 0.020 1 363 42 48 ASN HA H 4.606 0.020 1 364 42 48 ASN HB2 H 3.342 0.020 2 365 42 48 ASN HB3 H 3.229 0.020 2 366 42 48 ASN HD21 H 7.794 0.020 2 367 42 48 ASN HD22 H 6.874 0.020 2 368 42 48 ASN C C 173.770 0.400 1 369 42 48 ASN CA C 52.123 0.400 1 370 42 48 ASN CB C 34.622 0.400 1 371 42 48 ASN N N 119.313 0.400 1 372 43 49 GLN H H 8.295 0.020 1 373 43 49 GLN HA H 4.638 0.020 1 374 43 49 GLN HB2 H 2.143 0.020 2 375 43 49 GLN HB3 H 1.885 0.020 2 376 43 49 GLN HG2 H 2.434 0.020 2 377 43 49 GLN HG3 H 2.434 0.020 2 378 43 49 GLN C C 172.453 0.400 1 379 43 49 GLN CA C 51.498 0.400 1 380 43 49 GLN CB C 28.997 0.400 1 381 43 49 GLN CG C 30.872 0.400 1 382 43 49 GLN N N 124.313 0.400 1 383 44 50 GLY H H 8.043 0.020 1 384 44 50 GLY HA2 H 4.188 0.020 2 385 44 50 GLY HA3 H 3.663 0.020 2 386 44 50 GLY C C 169.975 0.400 1 387 44 50 GLY CA C 40.872 0.400 1 388 44 50 GLY N N 108.063 0.400 1 389 45 51 LYS H H 8.073 0.020 1 390 45 51 LYS HA H 3.785 0.020 1 391 45 51 LYS HB2 H 1.766 0.020 2 392 45 51 LYS HB3 H 1.766 0.020 2 393 45 51 LYS HG2 H 1.308 0.020 2 394 45 51 LYS HG3 H 1.283 0.020 2 395 45 51 LYS HD2 H 1.567 0.020 2 396 45 51 LYS HD3 H 1.567 0.020 2 397 45 51 LYS C C 174.102 0.400 1 398 45 51 LYS CA C 56.329 0.400 1 399 45 51 LYS CB C 29.670 0.400 1 400 45 51 LYS CG C 22.300 0.400 1 401 45 51 LYS CD C 25.969 0.400 1 402 45 51 LYS N N 119.219 0.400 1 403 46 52 ILE H H 7.254 0.020 1 404 46 52 ILE HA H 4.196 0.020 1 405 46 52 ILE HB H 1.226 0.020 1 406 46 52 ILE HG12 H 0.982 0.020 2 407 46 52 ILE HG13 H 0.466 0.020 2 408 46 52 ILE HG2 H -0.896 0.020 1 409 46 52 ILE HD1 H 0.464 0.020 1 410 46 52 ILE C C 173.399 0.400 1 411 46 52 ILE CA C 58.373 0.400 1 412 46 52 ILE CB C 33.997 0.400 1 413 46 52 ILE CG1 C 23.996 0.400 1 414 46 52 ILE CG2 C 12.121 0.400 1 415 46 52 ILE CD1 C 10.246 0.400 1 416 46 52 ILE N N 116.500 0.400 1 417 47 53 ASN H H 7.006 0.020 1 418 47 53 ASN HA H 4.414 0.020 1 419 47 53 ASN HB2 H 2.335 0.020 2 420 47 53 ASN HB3 H 1.931 0.020 2 421 47 53 ASN C C 167.748 0.400 1 422 47 53 ASN CA C 49.623 0.400 1 423 47 53 ASN CB C 35.247 0.400 1 424 47 53 ASN N N 124.000 0.400 1 425 48 54 ALA H H 6.848 0.020 1 426 48 54 ALA HA H 4.543 0.020 1 427 48 54 ALA HB H 1.191 0.020 1 428 48 54 ALA C C 171.262 0.400 1 429 48 54 ALA CA C 47.747 0.400 1 430 48 54 ALA CB C 20.871 0.400 1 431 48 54 ALA N N 115.563 0.400 1 432 49 55 TRP H H 7.579 0.020 1 433 49 55 TRP HA H 4.780 0.020 1 434 49 55 TRP HB2 H 3.180 0.020 2 435 49 55 TRP HB3 H 2.928 0.020 2 436 49 55 TRP HE1 H 10.694 0.020 1 437 49 55 TRP C C 174.076 0.400 1 438 49 55 TRP CA C 53.373 0.400 1 439 49 55 TRP CB C 26.496 0.400 1 440 49 55 TRP N N 116.500 0.400 1 441 49 55 TRP NE1 N 133.101 0.400 1 442 50 56 THR H H 7.493 0.020 1 443 50 56 THR HA H 4.751 0.020 1 444 50 56 THR HB H 3.240 0.020 1 445 50 56 THR HG2 H 0.292 0.020 1 446 50 56 THR C C 169.682 0.400 1 447 50 56 THR CA C 56.498 0.400 1 448 50 56 THR CB C 69.624 0.400 1 449 50 56 THR CG2 C 18.371 0.400 1 450 50 56 THR N N 124.938 0.400 1 451 51 57 ALA H H 6.501 0.020 1 452 51 57 ALA HA H 3.680 0.020 1 453 51 57 ALA HB H 0.885 0.020 1 454 51 57 ALA C C 175.139 0.400 1 455 51 57 ALA CA C 48.373 0.400 1 456 51 57 ALA CB C 16.496 0.400 1 457 51 57 ALA N N 126.813 0.400 1 458 52 58 GLN H H 8.608 0.020 1 459 52 58 GLN HA H 4.639 0.020 1 460 52 58 GLN HB2 H 1.875 0.020 2 461 52 58 GLN HB3 H 1.778 0.020 2 462 52 58 GLN HG2 H 2.302 0.020 2 463 52 58 GLN HG3 H 2.209 0.020 2 464 52 58 GLN C C 172.093 0.400 1 465 52 58 GLN CA C 56.720 0.400 1 466 52 58 GLN CB C 26.140 0.400 1 467 52 58 GLN CG C 31.140 0.400 1 468 52 58 GLN N N 121.188 0.400 1 469 53 59 SER H H 6.743 0.020 1 470 53 59 SER HA H 4.285 0.020 1 471 53 59 SER HB2 H 3.822 0.020 2 472 53 59 SER HB3 H 3.460 0.020 2 473 53 59 SER C C 171.207 0.400 1 474 53 59 SER CA C 52.930 0.400 1 475 53 59 SER CB C 63.130 0.400 1 476 53 59 SER N N 109.483 0.400 1 477 54 60 ASN H H 8.145 0.020 1 478 54 60 ASN HA H 3.983 0.020 1 479 54 60 ASN HB2 H 2.503 0.020 2 480 54 60 ASN HB3 H 2.009 0.020 2 481 54 60 ASN HD21 H 6.302 0.020 2 482 54 60 ASN HD22 H 7.157 0.020 2 483 54 60 ASN C C 170.818 0.400 1 484 54 60 ASN CA C 47.747 0.400 1 485 54 60 ASN CB C 33.997 0.400 1 486 54 60 ASN N N 119.313 0.400 1 487 54 60 ASN ND2 N 110.300 0.400 1 488 55 61 SER H H 6.349 0.020 1 489 55 61 SER HA H 4.581 0.020 1 490 55 61 SER HB2 H 3.841 0.020 2 491 55 61 SER HB3 H 3.476 0.020 2 492 55 61 SER C C 169.688 0.400 1 493 55 61 SER CA C 54.030 0.400 1 494 55 61 SER CB C 62.306 0.400 1 495 55 61 SER N N 117.331 0.400 1 496 56 62 ALA H H 8.812 0.020 1 497 56 62 ALA HA H 4.625 0.020 1 498 56 62 ALA HB H 1.651 0.020 1 499 56 62 ALA C C 175.129 0.400 1 500 56 62 ALA CA C 50.248 0.400 1 501 56 62 ALA CB C 15.871 0.400 1 502 56 62 ALA N N 123.063 0.400 1 503 57 63 LYS H H 8.107 0.020 1 504 57 63 LYS HA H 4.467 0.020 1 505 57 63 LYS HB2 H 1.984 0.020 2 506 57 63 LYS HB3 H 1.984 0.020 2 507 57 63 LYS HG2 H 1.297 0.020 2 508 57 63 LYS HG3 H 1.297 0.020 2 509 57 63 LYS HD2 H 1.565 0.020 2 510 57 63 LYS HD3 H 1.565 0.020 2 511 57 63 LYS HE2 H 3.171 0.020 2 512 57 63 LYS HE3 H 3.171 0.020 2 513 57 63 LYS C C 173.977 0.400 1 514 57 63 LYS CA C 53.351 0.400 1 515 57 63 LYS CB C 29.777 0.400 1 516 57 63 LYS CG C 22.149 0.400 1 517 57 63 LYS CD C 26.306 0.400 1 518 57 63 LYS N N 117.895 0.400 1 519 58 64 GLU H H 7.389 0.020 1 520 58 64 GLU HA H 4.350 0.020 1 521 58 64 GLU HB2 H 1.669 0.020 2 522 58 64 GLU HB3 H 1.669 0.020 2 523 58 64 GLU HG2 H 2.015 0.020 2 524 58 64 GLU HG3 H 2.015 0.020 2 525 58 64 GLU CA C 52.410 0.400 1 526 58 64 GLU CB C 27.230 0.400 1 527 58 64 GLU CG C 32.445 0.400 1 528 58 64 GLU N N 119.625 0.400 1 529 59 65 TRP H H 8.747 0.020 1 530 59 65 TRP HA H 5.004 0.020 1 531 59 65 TRP HB2 H 3.438 0.020 2 532 59 65 TRP HB3 H 2.562 0.020 2 533 59 65 TRP HE1 H 9.796 0.020 1 534 59 65 TRP C C 169.955 0.400 1 535 59 65 TRP CA C 53.373 0.400 1 536 59 65 TRP CB C 28.372 0.400 1 537 59 65 TRP N N 111.188 0.400 1 538 59 65 TRP NE1 N 128.486 0.400 1 539 60 66 LEU H H 7.322 0.020 1 540 60 66 LEU HA H 4.184 0.020 1 541 60 66 LEU HB2 H 1.131 0.020 2 542 60 66 LEU HB3 H 0.966 0.020 2 543 60 66 LEU HG H 0.655 0.020 1 544 60 66 LEU HD1 H 0.393 0.020 2 545 60 66 LEU HD2 H 0.291 0.020 2 546 60 66 LEU C C 171.627 0.400 1 547 60 66 LEU CA C 50.880 0.400 1 548 60 66 LEU CB C 42.040 0.400 1 549 60 66 LEU CG C 24.431 0.400 1 550 60 66 LEU CD1 C 20.676 0.400 1 551 60 66 LEU CD2 C 20.676 0.400 1 552 60 66 LEU N N 119.000 0.400 1 553 61 67 GLN H H 9.649 0.020 1 554 61 67 GLN HA H 5.473 0.020 1 555 61 67 GLN HB2 H 1.911 0.020 2 556 61 67 GLN HB3 H 1.934 0.020 2 557 61 67 GLN HG2 H 2.315 0.020 2 558 61 67 GLN HG3 H 2.315 0.020 2 559 61 67 GLN HE22 H 6.421 0.020 2 560 61 67 GLN C C 170.955 0.400 1 561 61 67 GLN CA C 51.498 0.400 1 562 61 67 GLN CB C 31.450 0.400 1 563 61 67 GLN CG C 32.805 0.400 1 564 61 67 GLN N N 126.813 0.400 1 565 62 68 VAL H H 9.274 0.020 1 566 62 68 VAL HA H 4.553 0.020 1 567 62 68 VAL HB H 1.851 0.020 1 568 62 68 VAL HG1 H 0.824 0.020 2 569 62 68 VAL HG2 H 0.895 0.020 2 570 62 68 VAL C C 171.409 0.400 1 571 62 68 VAL CA C 58.373 0.400 1 572 62 68 VAL CB C 33.372 0.400 1 573 62 68 VAL CG1 C 19.621 0.400 1 574 62 68 VAL CG2 C 19.621 0.400 1 575 62 68 VAL N N 123.688 0.400 1 576 63 69 ASP H H 8.697 0.020 1 577 63 69 ASP HA H 4.728 0.020 1 578 63 69 ASP HB2 H 2.599 0.020 2 579 63 69 ASP HB3 H 2.909 0.020 2 580 63 69 ASP C C 173.626 0.400 1 581 63 69 ASP CA C 49.523 0.400 1 582 63 69 ASP CB C 39.057 0.400 1 583 63 69 ASP N N 125.563 0.400 1 584 64 70 LEU H H 9.392 0.020 1 585 64 70 LEU HA H 3.995 0.020 1 586 64 70 LEU HB2 H 2.273 0.020 2 587 64 70 LEU HB3 H 2.273 0.020 2 588 64 70 LEU HG H 1.521 0.020 1 589 64 70 LEU HD1 H 0.704 0.020 2 590 64 70 LEU HD2 H 0.704 0.020 2 591 64 70 LEU C C 176.284 0.400 1 592 64 70 LEU CA C 53.360 0.400 1 593 64 70 LEU CB C 38.995 0.400 1 594 64 70 LEU CD1 C 23.760 0.400 1 595 64 70 LEU CD2 C 23.760 0.400 1 596 64 70 LEU N N 124.313 0.400 1 597 65 71 GLY H H 9.004 0.020 1 598 65 71 GLY HA2 H 4.162 0.020 2 599 65 71 GLY HA3 H 3.125 0.020 2 600 65 71 GLY C C 169.373 0.400 1 601 65 71 GLY CA C 42.747 0.400 1 602 65 71 GLY N N 111.501 0.400 1 603 66 72 THR H H 7.314 0.020 1 604 66 72 THR HA H 4.165 0.020 1 605 66 72 THR HB H 4.021 0.020 1 606 66 72 THR HG2 H 0.843 0.020 1 607 66 72 THR C C 168.700 0.400 1 608 66 72 THR CA C 56.498 0.400 1 609 66 72 THR CB C 66.498 0.400 1 610 66 72 THR CG2 C 20.246 0.400 1 611 66 72 THR N N 112.126 0.400 1 612 67 73 GLN H H 7.837 0.020 1 613 67 73 GLN HA H 3.844 0.020 1 614 67 73 GLN HB2 H 1.860 0.020 2 615 67 73 GLN HB3 H 1.835 0.020 2 616 67 73 GLN HG2 H 2.147 0.020 2 617 67 73 GLN HG3 H 1.929 0.020 2 618 67 73 GLN C C 172.891 0.400 1 619 67 73 GLN CA C 53.998 0.400 1 620 67 73 GLN CB C 26.496 0.400 1 621 67 73 GLN CG C 32.122 0.400 1 622 67 73 GLN N N 120.250 0.400 1 623 68 74 ARG H H 8.445 0.020 1 624 68 74 ARG HA H 4.627 0.020 1 625 68 74 ARG HB2 H 1.545 0.020 2 626 68 74 ARG HB3 H 1.453 0.020 2 627 68 74 ARG HG2 H 1.708 0.020 2 628 68 74 ARG HG3 H 1.507 0.020 2 629 68 74 ARG HD2 H 3.220 0.020 2 630 68 74 ARG HD3 H 2.887 0.020 2 631 68 74 ARG HE H 7.365 0.020 1 632 68 74 ARG C C 171.255 0.400 1 633 68 74 ARG CA C 50.248 0.400 1 634 68 74 ARG CB C 30.872 0.400 1 635 68 74 ARG CG C 23.342 0.400 1 636 68 74 ARG CD C 40.247 0.400 1 637 68 74 ARG N N 124.313 0.400 1 638 69 75 GLN H H 8.554 0.020 1 639 69 75 GLN HA H 4.643 0.020 1 640 69 75 GLN HB2 H 1.651 0.020 2 641 69 75 GLN HB3 H 1.651 0.020 2 642 69 75 GLN HG2 H 1.811 0.020 2 643 69 75 GLN HG3 H 1.829 0.020 2 644 69 75 GLN C C 171.250 0.400 1 645 69 75 GLN CA C 53.141 0.400 1 646 69 75 GLN CB C 26.549 0.400 1 647 69 75 GLN CG C 32.288 0.400 1 648 69 75 GLN N N 121.188 0.400 1 649 70 76 VAL H H 8.880 0.020 1 650 70 76 VAL HA H 4.254 0.020 1 651 70 76 VAL HB H 1.005 0.020 1 652 70 76 VAL HG1 H 0.620 0.020 2 653 70 76 VAL HG2 H 0.961 0.020 2 654 70 76 VAL C C 172.746 0.400 1 655 70 76 VAL CA C 60.248 0.400 1 656 70 76 VAL CB C 28.997 0.400 1 657 70 76 VAL CG1 C 18.371 0.400 1 658 70 76 VAL CG2 C 20.246 0.400 1 659 70 76 VAL N N 130.250 0.400 1 660 71 77 THR H H 9.274 0.020 1 661 71 77 THR HA H 4.386 0.020 1 662 71 77 THR HB H 4.268 0.020 1 663 71 77 THR HG2 H 1.052 0.020 1 664 71 77 THR C C 172.844 0.400 1 665 71 77 THR CA C 58.373 0.400 1 666 71 77 THR CB C 67.748 0.400 1 667 71 77 THR CG2 C 19.621 0.400 1 668 71 77 THR N N 113.376 0.400 1 669 72 78 GLY H H 7.637 0.020 1 670 72 78 GLY HA2 H 3.604 0.020 2 671 72 78 GLY HA3 H 2.808 0.020 2 672 72 78 GLY C C 168.437 0.400 1 673 72 78 GLY CA C 43.372 0.400 1 674 72 78 GLY N N 110.563 0.400 1 675 73 79 ILE H H 8.401 0.020 1 676 73 79 ILE HA H 4.807 0.020 1 677 73 79 ILE HG2 H 0.644 0.020 1 678 73 79 ILE HD1 H 0.605 0.020 1 679 73 79 ILE C C 168.322 0.400 1 680 73 79 ILE CA C 56.969 0.400 1 681 73 79 ILE CB C 39.529 0.400 1 682 73 79 ILE CG1 C 28.272 0.400 1 683 73 79 ILE CG2 C 13.573 0.400 1 684 73 79 ILE CD1 C 11.823 0.400 1 685 73 79 ILE N N 117.729 0.400 1 686 74 80 ILE H H 8.599 0.020 1 687 74 80 ILE HA H 5.065 0.020 1 688 74 80 ILE HB H 1.285 0.020 1 689 74 80 ILE HG12 H 1.278 0.020 2 690 74 80 ILE HG13 H 1.067 0.020 2 691 74 80 ILE HG2 H 0.677 0.020 1 692 74 80 ILE HD1 H 0.581 0.020 1 693 74 80 ILE C C 172.553 0.400 1 694 74 80 ILE CA C 57.123 0.400 1 695 74 80 ILE CB C 38.372 0.400 1 696 74 80 ILE CG1 C 23.807 0.400 1 697 74 80 ILE CG2 C 16.773 0.400 1 698 74 80 ILE CD1 C 11.451 0.400 1 699 74 80 ILE N N 124.625 0.400 1 700 75 81 THR H H 8.116 0.020 1 701 75 81 THR HA H 5.563 0.020 1 702 75 81 THR HB H 4.406 0.020 1 703 75 81 THR HG2 H 0.867 0.020 1 704 75 81 THR C C 171.547 0.400 1 705 75 81 THR CA C 57.123 0.400 1 706 75 81 THR CB C 70.249 0.400 1 707 75 81 THR CG2 C 17.121 0.400 1 708 75 81 THR N N 112.126 0.400 1 709 76 82 GLN H H 8.833 0.020 1 710 76 82 GLN HA H 4.738 0.020 1 711 76 82 GLN HB2 H 1.814 0.020 2 712 76 82 GLN HB3 H 1.814 0.020 2 713 76 82 GLN HG2 H 2.294 0.020 2 714 76 82 GLN HG3 H 2.364 0.020 2 715 76 82 GLN HE21 H 6.804 0.020 2 716 76 82 GLN HE22 H 7.643 0.020 2 717 76 82 GLN C C 173.459 0.400 1 718 76 82 GLN CA C 51.840 0.400 1 719 76 82 GLN CB C 33.430 0.400 1 720 76 82 GLN CG C 31.776 0.400 1 721 76 82 GLN N N 124.313 0.400 1 722 76 82 GLN NE2 N 112.823 0.400 1 723 77 83 GLY H H 8.898 0.020 1 724 77 83 GLY HA2 H 4.690 0.020 2 725 77 83 GLY HA3 H 4.117 0.020 2 726 77 83 GLY C C 170.042 0.400 1 727 77 83 GLY CA C 41.939 0.400 1 728 77 83 GLY N N 112.703 0.400 1 729 78 84 ALA H H 9.176 0.020 1 730 78 84 ALA HA H 4.619 0.020 1 731 78 84 ALA HB H 1.454 0.020 1 732 78 84 ALA C C 171.587 0.400 1 733 78 84 ALA CA C 50.248 0.400 1 734 78 84 ALA CB C 18.371 0.400 1 735 78 84 ALA N N 119.938 0.400 1 736 79 85 ARG H H 8.219 0.020 1 737 79 85 ARG HA H 5.149 0.020 1 738 79 85 ARG HB2 H 1.595 0.020 2 739 79 85 ARG HB3 H 1.387 0.020 2 740 79 85 ARG HG2 H 1.286 0.020 2 741 79 85 ARG HG3 H 1.194 0.020 2 742 79 85 ARG HD2 H 2.941 0.020 2 743 79 85 ARG HD3 H 2.941 0.020 2 744 79 85 ARG C C 171.346 0.400 1 745 79 85 ARG CA C 52.123 0.400 1 746 79 85 ARG CB C 31.497 0.400 1 747 79 85 ARG CG C 23.996 0.400 1 748 79 85 ARG CD C 40.872 0.400 1 749 79 85 ARG N N 118.063 0.400 1 750 80 86 ASP H H 8.325 0.020 1 751 80 86 ASP HA H 4.930 0.020 1 752 80 86 ASP HB2 H 2.450 0.020 2 753 80 86 ASP HB3 H 1.926 0.020 2 754 80 86 ASP C C 173.298 0.400 1 755 80 86 ASP CA C 50.248 0.400 1 756 80 86 ASP CB C 39.622 0.400 1 757 80 86 ASP N N 123.688 0.400 1 758 81 87 PHE H H 8.835 0.020 1 759 81 87 PHE HA H 3.917 0.020 1 760 81 87 PHE HB2 H 3.274 0.020 2 761 81 87 PHE HB3 H 2.928 0.020 2 762 81 87 PHE HD1 H 7.295 0.020 1 763 81 87 PHE HD2 H 7.295 0.020 1 764 81 87 PHE C C 172.922 0.400 1 765 81 87 PHE CA C 57.123 0.400 1 766 81 87 PHE CB C 33.997 0.400 1 767 81 87 PHE N N 125.563 0.400 1 768 82 88 GLY H H 8.333 0.020 1 769 82 88 GLY HA2 H 3.825 0.020 2 770 82 88 GLY HA3 H 3.452 0.020 2 771 82 88 GLY C C 168.629 0.400 1 772 82 88 GLY CA C 42.480 0.400 1 773 82 88 GLY N N 104.822 0.400 1 774 83 89 HIS H H 8.020 0.020 1 775 83 89 HIS HA H 4.684 0.020 1 776 83 89 HIS HB2 H 3.213 0.020 2 777 83 89 HIS HB3 H 2.728 0.020 2 778 83 89 HIS C C 171.863 0.400 1 779 83 89 HIS CA C 52.883 0.400 1 780 83 89 HIS CB C 27.840 0.400 1 781 83 89 HIS N N 119.318 0.400 1 782 84 90 ILE H H 9.123 0.020 1 783 84 90 ILE HA H 3.883 0.020 1 784 84 90 ILE HB H 1.944 0.020 1 785 84 90 ILE HG12 H 1.638 0.020 2 786 84 90 ILE HG13 H 1.638 0.020 2 787 84 90 ILE HG2 H 1.003 0.020 1 788 84 90 ILE HD1 H 1.003 0.020 1 789 84 90 ILE C C 172.641 0.400 1 790 84 90 ILE CA C 60.214 0.400 1 791 84 90 ILE CB C 35.531 0.400 1 792 84 90 ILE CD1 C 10.295 0.400 1 793 84 90 ILE N N 119.318 0.400 1 794 85 91 GLN H H 8.569 0.020 1 795 85 91 GLN HA H 5.230 0.020 1 796 85 91 GLN HB2 H 1.864 0.020 2 797 85 91 GLN HB3 H 1.296 0.020 2 798 85 91 GLN HG2 H 2.156 0.020 2 799 85 91 GLN HG3 H 2.156 0.020 2 800 85 91 GLN HE22 H 7.896 0.020 2 801 85 91 GLN C C 170.761 0.400 1 802 85 91 GLN CA C 51.251 0.400 1 803 85 91 GLN CB C 29.010 0.400 1 804 85 91 GLN CG C 32.091 0.400 1 805 85 91 GLN N N 126.188 0.400 1 806 86 92 TYR H H 7.808 0.020 1 807 86 92 TYR HA H 5.207 0.020 1 808 86 92 TYR HB2 H 3.455 0.020 2 809 86 92 TYR HB3 H 2.955 0.020 2 810 86 92 TYR HH H 8.886 0.020 1 811 86 92 TYR C C 170.556 0.400 1 812 86 92 TYR CA C 53.998 0.400 1 813 86 92 TYR CB C 35.872 0.400 1 814 86 92 TYR N N 114.001 0.400 1 815 87 93 VAL H H 10.249 0.020 1 816 87 93 VAL HA H 4.291 0.020 1 817 87 93 VAL HB H 2.558 0.020 1 818 87 93 VAL HG1 H 1.404 0.020 2 819 87 93 VAL HG2 H 1.151 0.020 2 820 87 93 VAL C C 171.985 0.400 1 821 87 93 VAL CA C 61.498 0.400 1 822 87 93 VAL CB C 29.622 0.400 1 823 87 93 VAL CG1 C 21.496 0.400 1 824 87 93 VAL CG2 C 22.121 0.400 1 825 87 93 VAL N N 121.500 0.400 1 826 88 94 ALA H H 9.007 0.020 1 827 88 94 ALA HA H 5.049 0.020 1 828 88 94 ALA HB H 1.452 0.020 1 829 88 94 ALA C C 176.128 0.400 1 830 88 94 ALA CA C 49.623 0.400 1 831 88 94 ALA CB C 17.121 0.400 1 832 88 94 ALA N N 133.375 0.400 1 833 89 95 SER H H 8.130 0.020 1 834 89 95 SER HA H 5.243 0.020 1 835 89 95 SER HB2 H 3.528 0.020 2 836 89 95 SER HB3 H 3.663 0.020 2 837 89 95 SER C C 170.956 0.400 1 838 89 95 SER CA C 55.936 0.400 1 839 89 95 SER CB C 61.880 0.400 1 840 89 95 SER N N 113.404 0.400 1 841 90 96 TYR H H 8.421 0.020 1 842 90 96 TYR HA H 5.427 0.020 1 843 90 96 TYR HB2 H 3.056 0.020 2 844 90 96 TYR HB3 H 3.056 0.020 2 845 90 96 TYR C C 169.423 0.400 1 846 90 96 TYR CA C 54.735 0.400 1 847 90 96 TYR CB C 37.570 0.400 1 848 90 96 TYR N N 117.750 0.400 1 849 91 97 LYS H H 9.256 0.020 1 850 91 97 LYS HA H 5.311 0.020 1 851 91 97 LYS HB2 H 1.762 0.020 2 852 91 97 LYS HB3 H 1.762 0.020 2 853 91 97 LYS HD2 H 1.640 0.020 2 854 91 97 LYS HD3 H 1.640 0.020 2 855 91 97 LYS HE2 H 3.078 0.020 2 856 91 97 LYS HE3 H 3.078 0.020 2 857 91 97 LYS C C 172.713 0.400 1 858 91 97 LYS CA C 52.245 0.400 1 859 91 97 LYS CB C 34.100 0.400 1 860 91 97 LYS CE C 39.127 0.400 1 861 91 97 LYS N N 119.641 0.400 1 862 92 98 VAL H H 9.971 0.020 1 863 92 98 VAL HA H 5.063 0.020 1 864 92 98 VAL HB H 1.967 0.020 1 865 92 98 VAL HG1 H 0.933 0.020 2 866 92 98 VAL HG2 H 1.067 0.020 2 867 92 98 VAL C C 170.680 0.400 1 868 92 98 VAL CA C 58.998 0.400 1 869 92 98 VAL CB C 32.747 0.400 1 870 92 98 VAL CG1 C 18.371 0.400 1 871 92 98 VAL CG2 C 20.246 0.400 1 872 92 98 VAL N N 121.813 0.400 1 873 93 99 ALA H H 9.149 0.020 1 874 93 99 ALA HA H 5.654 0.020 1 875 93 99 ALA HB H 1.211 0.020 1 876 93 99 ALA C C 173.000 0.400 1 877 93 99 ALA CA C 46.497 0.400 1 878 93 99 ALA CB C 21.496 0.400 1 879 93 99 ALA N N 126.813 0.400 1 880 94 100 HIS H H 9.177 0.020 1 881 94 100 HIS HA H 5.894 0.020 1 882 94 100 HIS HB2 H 3.105 0.020 2 883 94 100 HIS HB3 H 2.550 0.020 2 884 94 100 HIS HD2 H 6.467 0.020 1 885 94 100 HIS HE1 H 6.837 0.020 1 886 94 100 HIS C C 170.442 0.400 1 887 94 100 HIS CA C 51.498 0.400 1 888 94 100 HIS CB C 30.872 0.400 1 889 94 100 HIS N N 116.813 0.400 1 890 95 101 SER H H 8.715 0.020 1 891 95 101 SER HA H 4.716 0.020 1 892 95 101 SER HB2 H 3.698 0.020 2 893 95 101 SER HB3 H 3.620 0.020 2 894 95 101 SER C C 171.390 0.400 1 895 95 101 SER CA C 54.580 0.400 1 896 95 101 SER CB C 61.560 0.400 1 897 95 101 SER N N 112.837 0.400 1 898 96 102 ASP H H 9.113 0.020 1 899 96 102 ASP HA H 5.124 0.020 1 900 96 102 ASP HB2 H 2.630 0.020 2 901 96 102 ASP HB3 H 2.457 0.020 2 902 96 102 ASP C C 173.389 0.400 1 903 96 102 ASP CA C 52.941 0.400 1 904 96 102 ASP CB C 39.625 0.400 1 905 96 102 ASP N N 126.188 0.400 1 906 97 103 ASP H H 7.977 0.020 1 907 97 103 ASP HA H 4.685 0.020 1 908 97 103 ASP HB2 H 2.740 0.020 2 909 97 103 ASP HB3 H 2.427 0.020 2 910 97 103 ASP C C 174.017 0.400 1 911 97 103 ASP CA C 50.520 0.400 1 912 97 103 ASP CB C 39.240 0.400 1 913 97 103 ASP N N 117.555 0.400 1 914 98 104 GLY H H 8.199 0.020 1 915 98 104 GLY HA2 H 2.972 0.020 2 916 98 104 GLY HA3 H 2.015 0.020 2 917 98 104 GLY C C 169.676 0.400 1 918 98 104 GLY CA C 41.497 0.400 1 919 98 104 GLY N N 112.126 0.400 1 920 99 105 VAL H H 7.968 0.020 1 921 99 105 VAL HA H 3.783 0.020 1 922 99 105 VAL HB H 1.585 0.020 1 923 99 105 VAL HG1 H 0.521 0.020 2 924 99 105 VAL HG2 H 0.715 0.020 2 925 99 105 VAL C C 172.402 0.400 1 926 99 105 VAL CA C 60.873 0.400 1 927 99 105 VAL CB C 31.497 0.400 1 928 99 105 VAL CG1 C 17.746 0.400 1 929 99 105 VAL CG2 C 18.371 0.400 1 930 99 105 VAL N N 121.188 0.400 1 931 100 106 GLN H H 8.891 0.020 1 932 100 106 GLN HA H 4.382 0.020 1 933 100 106 GLN HB2 H 1.860 0.020 2 934 100 106 GLN HB3 H 1.835 0.020 2 935 100 106 GLN HG2 H 2.232 0.020 2 936 100 106 GLN HG3 H 2.105 0.020 2 937 100 106 GLN HE21 H 6.812 0.020 2 938 100 106 GLN HE22 H 7.405 0.020 2 939 100 106 GLN C C 173.365 0.400 1 940 100 106 GLN CA C 51.797 0.400 1 941 100 106 GLN CB C 26.496 0.400 1 942 100 106 GLN CG C 30.872 0.400 1 943 100 106 GLN N N 120.875 0.400 1 944 100 106 GLN NE2 N 111.810 0.400 1 945 101 107 TRP H H 8.938 0.020 1 946 101 107 TRP HA H 4.392 0.020 1 947 101 107 TRP HB2 H 2.694 0.020 2 948 101 107 TRP HB3 H 2.600 0.020 2 949 101 107 TRP HD1 H 6.783 0.020 1 950 101 107 TRP HE1 H 8.795 0.020 1 951 101 107 TRP C C 172.642 0.400 1 952 101 107 TRP CA C 54.623 0.400 1 953 101 107 TRP CB C 28.997 0.400 1 954 101 107 TRP N N 128.688 0.400 1 955 101 107 TRP NE1 N 128.574 0.400 1 956 102 108 THR H H 8.967 0.020 1 957 102 108 THR HA H 4.200 0.020 1 958 102 108 THR HB H 2.659 0.020 1 959 102 108 THR HG2 H 0.841 0.020 1 960 102 108 THR C C 170.541 0.400 1 961 102 108 THR CA C 58.998 0.400 1 962 102 108 THR CB C 67.748 0.400 1 963 102 108 THR CG2 C 18.996 0.400 1 964 102 108 THR N N 121.500 0.400 1 965 103 109 VAL H H 8.720 0.020 1 966 103 109 VAL HA H 4.163 0.020 1 967 103 109 VAL HB H 1.881 0.020 1 968 103 109 VAL HG1 H 0.831 0.020 2 969 103 109 VAL HG2 H 0.990 0.020 2 970 103 109 VAL C C 173.011 0.400 1 971 103 109 VAL CA C 59.623 0.400 1 972 103 109 VAL CB C 28.997 0.400 1 973 103 109 VAL CG1 C 18.371 0.400 1 974 103 109 VAL CG2 C 19.621 0.400 1 975 103 109 VAL N N 128.063 0.400 1 976 104 110 TYR H H 9.250 0.020 1 977 104 110 TYR HA H 4.134 0.020 1 978 104 110 TYR HB2 H 2.472 0.020 2 979 104 110 TYR HB3 H 2.475 0.020 2 980 104 110 TYR HD1 H 7.068 0.020 1 981 104 110 TYR HD2 H 7.068 0.020 1 982 104 110 TYR C C 172.043 0.400 1 983 104 110 TYR CA C 57.742 0.400 1 984 104 110 TYR CB C 36.040 0.400 1 985 104 110 TYR N N 129.625 0.400 1 986 105 111 GLU H H 7.531 0.020 1 987 105 111 GLU HA H 4.582 0.020 1 988 105 111 GLU HB2 H 1.526 0.020 2 989 105 111 GLU HB3 H 1.460 0.020 2 990 105 111 GLU HG2 H 2.157 0.020 2 991 105 111 GLU HG3 H 1.638 0.020 2 992 105 111 GLU C C 171.799 0.400 1 993 105 111 GLU CA C 51.498 0.400 1 994 105 111 GLU CB C 30.872 0.400 1 995 105 111 GLU CG C 32.747 0.400 1 996 105 111 GLU N N 128.688 0.400 1 997 106 112 GLU H H 8.032 0.020 1 998 106 112 GLU HA H 4.231 0.020 1 999 106 112 GLU HB2 H 1.938 0.020 2 1000 106 112 GLU HB3 H 1.719 0.020 2 1001 106 112 GLU HG2 H 2.314 0.020 2 1002 106 112 GLU HG3 H 2.314 0.020 2 1003 106 112 GLU C C 173.234 0.400 1 1004 106 112 GLU CA C 53.373 0.400 1 1005 106 112 GLU CB C 31.497 0.400 1 1006 106 112 GLU CG C 34.622 0.400 1 1007 106 112 GLU N N 116.640 0.400 1 1008 107 113 GLN H H 9.371 0.020 1 1009 107 113 GLN HA H 3.805 0.020 1 1010 107 113 GLN HB2 H 2.009 0.020 2 1011 107 113 GLN HB3 H 2.009 0.020 2 1012 107 113 GLN HG2 H 2.252 0.020 2 1013 107 113 GLN HG3 H 2.252 0.020 2 1014 107 113 GLN C C 173.764 0.400 1 1015 107 113 GLN CA C 53.756 0.400 1 1016 107 113 GLN CB C 23.750 0.400 1 1017 107 113 GLN CG C 31.615 0.400 1 1018 107 113 GLN N N 120.026 0.400 1 1019 108 114 GLY H H 8.749 0.020 1 1020 108 114 GLY HA2 H 4.035 0.020 2 1021 108 114 GLY HA3 H 3.486 0.020 2 1022 108 114 GLY C C 171.267 0.400 1 1023 108 114 GLY CA C 42.747 0.400 1 1024 108 114 GLY N N 104.938 0.400 1 1025 109 115 SER H H 7.480 0.020 1 1026 109 115 SER HA H 4.689 0.020 1 1027 109 115 SER HB2 H 3.700 0.020 2 1028 109 115 SER HB3 H 3.633 0.020 2 1029 109 115 SER C C 170.661 0.400 1 1030 109 115 SER CA C 53.998 0.400 1 1031 109 115 SER CB C 62.940 0.400 1 1032 109 115 SER N N 113.391 0.400 1 1033 110 116 SER H H 8.617 0.020 1 1034 110 116 SER HA H 4.127 0.020 1 1035 110 116 SER HB2 H 3.633 0.020 2 1036 110 116 SER HB3 H 3.633 0.020 2 1037 110 116 SER C C 171.149 0.400 1 1038 110 116 SER CA C 56.520 0.400 1 1039 110 116 SER CB C 60.320 0.400 1 1040 110 116 SER N N 118.362 0.400 1 1041 111 117 LYS H H 8.393 0.020 1 1042 111 117 LYS HA H 4.115 0.020 1 1043 111 117 LYS HB2 H 1.781 0.020 2 1044 111 117 LYS HB3 H 1.765 0.020 2 1045 111 117 LYS HG2 H 1.283 0.020 2 1046 111 117 LYS HG3 H 1.283 0.020 2 1047 111 117 LYS HD2 H 1.227 0.020 2 1048 111 117 LYS HD3 H 1.071 0.020 2 1049 111 117 LYS C C 171.604 0.400 1 1050 111 117 LYS CA C 52.780 0.400 1 1051 111 117 LYS CB C 31.100 0.400 1 1052 111 117 LYS CG C 21.827 0.400 1 1053 111 117 LYS CD C 25.856 0.400 1 1054 111 117 LYS CE C 39.756 0.400 1 1055 111 117 LYS N N 127.630 0.400 1 1056 112 118 VAL H H 8.486 0.020 1 1057 112 118 VAL HA H 4.031 0.020 1 1058 112 118 VAL HB H 1.828 0.020 1 1059 112 118 VAL HG1 H 0.762 0.020 2 1060 112 118 VAL HG2 H 0.676 0.020 2 1061 112 118 VAL C C 173.267 0.400 1 1062 112 118 VAL CA C 58.998 0.400 1 1063 112 118 VAL CB C 27.747 0.400 1 1064 112 118 VAL CG1 C 18.371 0.400 1 1065 112 118 VAL CG2 C 18.996 0.400 1 1066 112 118 VAL N N 128.063 0.400 1 1067 113 119 PHE H H 9.197 0.020 1 1068 113 119 PHE HA H 3.955 0.020 1 1069 113 119 PHE HB2 H 2.253 0.020 2 1070 113 119 PHE HB3 H 1.384 0.020 2 1071 113 119 PHE HD1 H 7.076 0.020 1 1072 113 119 PHE HD2 H 7.076 0.020 1 1073 113 119 PHE C C 173.331 0.400 1 1074 113 119 PHE CA C 55.873 0.400 1 1075 113 119 PHE CB C 36.497 0.400 1 1076 113 119 PHE N N 128.375 0.400 1 1077 114 120 GLN H H 8.798 0.020 1 1078 114 120 GLN HA H 3.980 0.020 1 1079 114 120 GLN HB2 H 2.070 0.020 2 1080 114 120 GLN HB3 H 1.953 0.020 2 1081 114 120 GLN HG2 H 2.392 0.020 2 1082 114 120 GLN HG3 H 2.392 0.020 2 1083 114 120 GLN HE21 H 6.836 0.020 2 1084 114 120 GLN HE22 H 7.569 0.020 2 1085 114 120 GLN C C 172.287 0.400 1 1086 114 120 GLN CA C 53.373 0.400 1 1087 114 120 GLN CB C 25.871 0.400 1 1088 114 120 GLN CG C 30.872 0.400 1 1089 114 120 GLN N N 119.938 0.400 1 1090 114 120 GLN NE2 N 114.308 0.400 1 1091 115 121 GLY H H 7.969 0.020 1 1092 115 121 GLY HA2 H 4.613 0.020 2 1093 115 121 GLY HA3 H 3.199 0.020 2 1094 115 121 GLY C C 169.807 0.400 1 1095 115 121 GLY CA C 40.872 0.400 1 1096 115 121 GLY N N 112.751 0.400 1 1097 116 122 ASN H H 8.279 0.020 1 1098 116 122 ASN HA H 4.297 0.020 1 1099 116 122 ASN HB2 H 2.957 0.020 2 1100 116 122 ASN HB3 H 2.342 0.020 2 1101 116 122 ASN C C 169.146 0.400 1 1102 116 122 ASN CA C 53.373 0.400 1 1103 116 122 ASN CB C 40.872 0.400 1 1104 116 122 ASN N N 119.938 0.400 1 1105 117 123 LEU H H 8.416 0.020 1 1106 117 123 LEU HA H 3.848 0.020 1 1107 117 123 LEU HB2 H 1.514 0.020 2 1108 117 123 LEU HB3 H 1.245 0.020 2 1109 117 123 LEU HG H 1.392 0.020 1 1110 117 123 LEU HD1 H 0.661 0.020 2 1111 117 123 LEU HD2 H 0.785 0.020 2 1112 117 123 LEU C C 172.092 0.400 1 1113 117 123 LEU CA C 51.498 0.400 1 1114 117 123 LEU CB C 41.497 0.400 1 1115 117 123 LEU CG C 23.371 0.400 1 1116 117 123 LEU CD1 C 22.121 0.400 1 1117 117 123 LEU CD2 C 21.496 0.400 1 1118 117 123 LEU N N 114.313 0.400 1 1119 118 124 ASP H H 6.768 0.020 1 1120 118 124 ASP HA H 3.976 0.020 1 1121 118 124 ASP HB2 H 2.831 0.020 2 1122 118 124 ASP HB3 H 2.759 0.020 2 1123 118 124 ASP C C 171.626 0.400 1 1124 118 124 ASP CA C 50.040 0.400 1 1125 118 124 ASP CB C 37.480 0.400 1 1126 118 124 ASP N N 115.563 0.400 1 1127 119 125 ASN H H 8.638 0.020 1 1128 119 125 ASN HA H 4.503 0.020 1 1129 119 125 ASN HB2 H 2.430 0.020 2 1130 119 125 ASN HB3 H 2.430 0.020 2 1131 119 125 ASN C C 170.395 0.400 1 1132 119 125 ASN CA C 52.123 0.400 1 1133 119 125 ASN CB C 35.247 0.400 1 1134 119 125 ASN N N 106.813 0.400 1 1135 120 126 ASN H H 7.781 0.020 1 1136 120 126 ASN HA H 5.091 0.020 1 1137 120 126 ASN HB2 H 2.668 0.020 2 1138 120 126 ASN HB3 H 2.535 0.020 2 1139 120 126 ASN HD21 H 6.803 0.020 2 1140 120 126 ASN HD22 H 7.641 0.020 2 1141 120 126 ASN C C 174.859 0.400 1 1142 120 126 ASN CA C 50.248 0.400 1 1143 120 126 ASN CB C 39.622 0.400 1 1144 120 126 ASN N N 113.376 0.400 1 1145 120 126 ASN ND2 N 112.913 0.400 1 1146 121 127 SER H H 9.296 0.020 1 1147 121 127 SER HA H 3.972 0.020 1 1148 121 127 SER HB2 H 3.697 0.020 2 1149 121 127 SER HB3 H 3.697 0.020 2 1150 121 127 SER C C 171.620 0.400 1 1151 121 127 SER CA C 57.630 0.400 1 1152 121 127 SER CB C 58.515 0.400 1 1153 121 127 SER N N 121.403 0.400 1 1154 122 128 HIS H H 9.011 0.020 1 1155 122 128 HIS HA H 4.528 0.020 1 1156 122 128 HIS HB2 H 3.003 0.020 2 1157 122 128 HIS HB3 H 2.645 0.020 2 1158 122 128 HIS HD1 H 6.658 0.020 1 1159 122 128 HIS HD2 H 6.671 0.020 1 1160 122 128 HIS C C 173.986 0.400 1 1161 122 128 HIS CA C 52.123 0.400 1 1162 122 128 HIS CB C 29.622 0.400 1 1163 122 128 HIS N N 123.065 0.400 1 1164 123 129 LYS H H 8.282 0.020 1 1165 123 129 LYS HA H 4.717 0.020 1 1166 123 129 LYS HB2 H 1.791 0.020 2 1167 123 129 LYS HB3 H 1.781 0.020 2 1168 123 129 LYS HG2 H 1.276 0.020 2 1169 123 129 LYS HG3 H 1.276 0.020 2 1170 123 129 LYS HD2 H 1.666 0.020 2 1171 123 129 LYS HD3 H 1.666 0.020 2 1172 123 129 LYS HE2 H 2.885 0.020 2 1173 123 129 LYS HE3 H 2.885 0.020 2 1174 123 129 LYS C C 171.766 0.400 1 1175 123 129 LYS CA C 52.172 0.400 1 1176 123 129 LYS CB C 31.037 0.400 1 1177 123 129 LYS CG C 23.359 0.400 1 1178 123 129 LYS CD C 25.555 0.400 1 1179 123 129 LYS CE C 39.298 0.400 1 1180 123 129 LYS N N 122.465 0.400 1 1181 124 130 LYS H H 9.318 0.020 1 1182 124 130 LYS HA H 5.071 0.020 1 1183 124 130 LYS HB2 H 1.728 0.020 2 1184 124 130 LYS HB3 H 1.728 0.020 2 1185 124 130 LYS HG2 H 1.453 0.020 2 1186 124 130 LYS HG3 H 1.453 0.020 2 1187 124 130 LYS HE2 H 2.685 0.020 2 1188 124 130 LYS HE3 H 2.630 0.020 2 1189 124 130 LYS C C 172.047 0.400 1 1190 124 130 LYS CA C 51.820 0.400 1 1191 124 130 LYS CB C 31.150 0.400 1 1192 124 130 LYS CG C 23.359 0.400 1 1193 124 130 LYS N N 134.203 0.400 1 1194 125 131 ASN H H 9.109 0.020 1 1195 125 131 ASN HA H 5.062 0.020 1 1196 125 131 ASN HB2 H 2.307 0.020 2 1197 125 131 ASN HB3 H 2.014 0.020 2 1198 125 131 ASN C C 169.738 0.400 1 1199 125 131 ASN CA C 49.623 0.400 1 1200 125 131 ASN CB C 40.247 0.400 1 1201 125 131 ASN N N 124.625 0.400 1 1202 126 132 ILE H H 8.528 0.020 1 1203 126 132 ILE HA H 4.181 0.020 1 1204 126 132 ILE HB H 1.774 0.020 1 1205 126 132 ILE HG12 H 1.229 0.020 2 1206 126 132 ILE HG13 H 1.229 0.020 2 1207 126 132 ILE HG2 H 0.746 0.020 1 1208 126 132 ILE HD1 H 0.583 0.020 1 1209 126 132 ILE C C 173.527 0.400 1 1210 126 132 ILE CA C 55.873 0.400 1 1211 126 132 ILE CB C 36.497 0.400 1 1212 126 132 ILE CG2 C 15.246 0.400 1 1213 126 132 ILE CD1 C 8.996 0.400 1 1214 126 132 ILE N N 120.250 0.400 1 1215 127 133 PHE H H 7.928 0.020 1 1216 127 133 PHE HA H 4.747 0.020 1 1217 127 133 PHE HB2 H 3.199 0.020 2 1218 127 133 PHE HB3 H 2.456 0.020 2 1219 127 133 PHE HD1 H 6.495 0.020 1 1220 127 133 PHE HD2 H 6.495 0.020 1 1221 127 133 PHE C C 173.046 0.400 1 1222 127 133 PHE CA C 52.748 0.400 1 1223 127 133 PHE CB C 34.622 0.400 1 1224 127 133 PHE N N 126.500 0.400 1 1225 128 134 GLU H H 8.537 0.020 1 1226 128 134 GLU HA H 4.067 0.020 1 1227 128 134 GLU HB2 H 2.091 0.020 2 1228 128 134 GLU HB3 H 2.091 0.020 2 1229 128 134 GLU HG2 H 2.454 0.020 2 1230 128 134 GLU HG3 H 2.310 0.020 2 1231 128 134 GLU C C 174.143 0.400 1 1232 128 134 GLU CA C 56.498 0.400 1 1233 128 134 GLU CB C 27.121 0.400 1 1234 128 134 GLU CG C 33.997 0.400 1 1235 128 134 GLU N N 125.250 0.400 1 1236 129 135 LYS H H 7.819 0.020 1 1237 129 135 LYS HA H 4.872 0.020 1 1238 129 135 LYS HB2 H 1.925 0.020 2 1239 129 135 LYS HB3 H 1.925 0.020 2 1240 129 135 LYS HG2 H 1.435 0.020 2 1241 129 135 LYS HG3 H 1.435 0.020 2 1242 129 135 LYS HD2 H 1.740 0.020 2 1243 129 135 LYS HD3 H 1.632 0.020 2 1244 129 135 LYS HE2 H 3.000 0.020 2 1245 129 135 LYS HE3 H 3.000 0.020 2 1246 129 135 LYS CA C 50.045 0.400 1 1247 129 135 LYS CB C 30.255 0.400 1 1248 129 135 LYS N N 116.343 0.400 1 1249 130 136 PRO HA H 4.279 0.020 1 1250 130 136 PRO HB2 H 2.165 0.020 2 1251 130 136 PRO HB3 H 2.165 0.020 2 1252 130 136 PRO HG2 H 1.947 0.020 2 1253 130 136 PRO HG3 H 1.947 0.020 2 1254 130 136 PRO HD2 H 3.593 0.020 2 1255 130 136 PRO HD3 H 3.593 0.020 2 1256 130 136 PRO C C 172.119 0.400 1 1257 130 136 PRO CA C 61.117 0.400 1 1258 130 136 PRO CB C 30.550 0.400 1 1259 131 137 PHE H H 6.978 0.020 1 1260 131 137 PHE HA H 5.053 0.020 1 1261 131 137 PHE HB2 H 2.839 0.020 2 1262 131 137 PHE HB3 H 2.501 0.020 2 1263 131 137 PHE C C 170.026 0.400 1 1264 131 137 PHE CA C 50.248 0.400 1 1265 131 137 PHE CB C 38.372 0.400 1 1266 131 137 PHE N N 115.563 0.400 1 1267 132 138 MET H H 8.373 0.020 1 1268 132 138 MET HA H 5.435 0.020 1 1269 132 138 MET HB2 H 1.926 0.020 2 1270 132 138 MET HB3 H 1.900 0.020 2 1271 132 138 MET HG2 H 2.425 0.020 2 1272 132 138 MET HG3 H 2.425 0.020 2 1273 132 138 MET HE H 1.735 0.020 1 1274 132 138 MET C C 173.738 0.400 1 1275 132 138 MET CA C 49.623 0.400 1 1276 132 138 MET CB C 29.160 0.400 1 1277 132 138 MET CG C 28.997 0.400 1 1278 132 138 MET CE C 13.371 0.400 1 1279 132 138 MET N N 118.375 0.400 1 1280 133 139 ALA H H 9.138 0.020 1 1281 133 139 ALA HA H 4.902 0.020 1 1282 133 139 ALA HB H 1.627 0.020 1 1283 133 139 ALA C C 172.524 0.400 1 1284 133 139 ALA CA C 49.623 0.400 1 1285 133 139 ALA CB C 21.496 0.400 1 1286 133 139 ALA N N 124.000 0.400 1 1287 134 140 ARG H H 7.584 0.020 1 1288 134 140 ARG HA H 4.793 0.020 1 1289 134 140 ARG HG2 H 1.420 0.020 2 1290 134 140 ARG HG3 H 1.420 0.020 2 1291 134 140 ARG HD2 H 2.808 0.020 2 1292 134 140 ARG HD3 H 2.808 0.020 2 1293 134 140 ARG HE H 8.368 0.020 1 1294 134 140 ARG C C 169.878 0.400 1 1295 134 140 ARG CA C 53.935 0.400 1 1296 134 140 ARG CB C 29.432 0.400 1 1297 134 140 ARG CG C 28.074 0.400 1 1298 134 140 ARG CD C 40.508 0.400 1 1299 134 140 ARG N N 118.375 0.400 1 1300 135 141 TYR H H 8.703 0.020 1 1301 135 141 TYR HA H 5.770 0.020 1 1302 135 141 TYR HB2 H 2.805 0.020 2 1303 135 141 TYR HB3 H 2.510 0.020 2 1304 135 141 TYR C C 173.531 0.400 1 1305 135 141 TYR CA C 52.569 0.400 1 1306 135 141 TYR CB C 40.260 0.400 1 1307 135 141 TYR N N 114.631 0.400 1 1308 136 142 VAL H H 9.028 0.020 1 1309 136 142 VAL HA H 5.143 0.020 1 1310 136 142 VAL HB H 1.874 0.020 1 1311 136 142 VAL HG1 H 1.104 0.020 2 1312 136 142 VAL HG2 H 1.104 0.020 2 1313 136 142 VAL C C 171.686 0.400 1 1314 136 142 VAL CA C 58.373 0.400 1 1315 136 142 VAL CB C 33.997 0.400 1 1316 136 142 VAL CG1 C 18.996 0.400 1 1317 136 142 VAL CG2 C 18.996 0.400 1 1318 136 142 VAL N N 120.250 0.400 1 1319 137 143 ARG H H 9.607 0.020 1 1320 137 143 ARG HA H 5.674 0.020 1 1321 137 143 ARG HB2 H 1.172 0.020 2 1322 137 143 ARG HB3 H 1.172 0.020 2 1323 137 143 ARG HG2 H 1.049 0.020 2 1324 137 143 ARG HG3 H 1.049 0.020 2 1325 137 143 ARG C C 172.376 0.400 1 1326 137 143 ARG CA C 51.498 0.400 1 1327 137 143 ARG CB C 33.060 0.400 1 1328 137 143 ARG CG C 25.838 0.400 1 1329 137 143 ARG CD C 39.690 0.400 1 1330 137 143 ARG N N 125.250 0.400 1 1331 138 144 VAL H H 8.708 0.020 1 1332 138 144 VAL HA H 4.321 0.020 1 1333 138 144 VAL HB H 1.727 0.020 1 1334 138 144 VAL HG1 H 0.575 0.020 2 1335 138 144 VAL HG2 H 0.701 0.020 2 1336 138 144 VAL C C 171.779 0.400 1 1337 138 144 VAL CA C 59.623 0.400 1 1338 138 144 VAL CB C 30.247 0.400 1 1339 138 144 VAL CG1 C 18.371 0.400 1 1340 138 144 VAL CG2 C 19.001 0.400 1 1341 138 144 VAL N N 121.188 0.400 1 1342 139 145 LEU H H 8.806 0.020 1 1343 139 145 LEU HA H 4.226 0.020 1 1344 139 145 LEU HB2 H 1.459 0.020 2 1345 139 145 LEU HB3 H 1.459 0.020 2 1346 139 145 LEU HD1 H 1.023 0.020 2 1347 139 145 LEU HD2 H 1.023 0.020 2 1348 139 145 LEU CA C 48.621 0.400 1 1349 139 145 LEU CB C 38.177 0.400 1 1350 139 145 LEU N N 127.200 0.400 1 1351 140 146 PRO HA H 4.465 0.020 1 1352 140 146 PRO HB2 H 1.999 0.020 2 1353 140 146 PRO HB3 H 1.975 0.020 2 1354 140 146 PRO HG2 H 1.875 0.020 2 1355 140 146 PRO HG3 H 1.875 0.020 2 1356 140 146 PRO HD2 H 3.071 0.020 2 1357 140 146 PRO HD3 H 3.071 0.020 2 1358 140 146 PRO C C 172.968 0.400 1 1359 140 146 PRO CA C 61.286 0.400 1 1360 140 146 PRO CB C 30.337 0.400 1 1361 141 147 VAL H H 9.072 0.020 1 1362 141 147 VAL HA H 4.267 0.020 1 1363 141 147 VAL HB H 1.945 0.020 1 1364 141 147 VAL HG1 H 0.793 0.020 2 1365 141 147 VAL HG2 H 1.112 0.020 2 1366 141 147 VAL C C 172.048 0.400 1 1367 141 147 VAL CA C 60.873 0.400 1 1368 141 147 VAL CB C 30.872 0.400 1 1369 141 147 VAL CG1 C 18.996 0.400 1 1370 141 147 VAL CG2 C 20.246 0.400 1 1371 141 147 VAL N N 124.000 0.400 1 1372 142 148 SER H H 7.938 0.020 1 1373 142 148 SER HA H 3.739 0.020 1 1374 142 148 SER HB2 H 3.553 0.020 2 1375 142 148 SER HB3 H 3.451 0.020 2 1376 142 148 SER C C 171.417 0.400 1 1377 142 148 SER CA C 54.550 0.400 1 1378 142 148 SER CB C 63.030 0.400 1 1379 142 148 SER N N 111.753 0.400 1 1380 143 149 TRP H H 7.892 0.020 1 1381 143 149 TRP HA H 5.193 0.020 1 1382 143 149 TRP HB2 H 3.276 0.020 2 1383 143 149 TRP HB3 H 2.809 0.020 2 1384 143 149 TRP HD1 H 6.787 0.020 1 1385 143 149 TRP HE1 H 9.892 0.020 1 1386 143 149 TRP HZ3 H 6.437 0.020 1 1387 143 149 TRP C C 169.612 0.400 1 1388 143 149 TRP CA C 53.373 0.400 1 1389 143 149 TRP CB C 27.747 0.400 1 1390 143 149 TRP N N 118.688 0.400 1 1391 144 150 HIS H H 8.910 0.020 1 1392 144 150 HIS HA H 4.419 0.020 1 1393 144 150 HIS HB2 H 3.814 0.020 2 1394 144 150 HIS HB3 H 3.427 0.020 2 1395 144 150 HIS C C 172.754 0.400 1 1396 144 150 HIS CA C 52.380 0.400 1 1397 144 150 HIS CB C 27.232 0.400 1 1398 144 150 HIS N N 120.563 0.400 1 1399 145 151 ASN H H 8.834 0.020 1 1400 145 151 ASN HA H 3.817 0.020 1 1401 145 151 ASN HB2 H 3.427 0.020 2 1402 145 151 ASN HB3 H 2.490 0.020 2 1403 145 151 ASN C C 172.802 0.400 1 1404 145 151 ASN CA C 55.790 0.400 1 1405 145 151 ASN CB C 33.860 0.400 1 1406 145 151 ASN N N 120.234 0.400 1 1407 146 152 ARG H H 8.857 0.020 1 1408 146 152 ARG HA H 4.284 0.020 1 1409 146 152 ARG HB2 H 1.054 0.020 2 1410 146 152 ARG HB3 H 1.054 0.020 2 1411 146 152 ARG HG2 H 0.840 0.020 2 1412 146 152 ARG HG3 H 0.759 0.020 2 1413 146 152 ARG HD2 H 2.259 0.020 2 1414 146 152 ARG HD3 H 2.259 0.020 2 1415 146 152 ARG HE H 6.447 0.020 1 1416 146 152 ARG C C 170.460 0.400 1 1417 146 152 ARG CA C 52.088 0.400 1 1418 146 152 ARG CB C 32.910 0.400 1 1419 146 152 ARG CG C 25.740 0.400 1 1420 146 152 ARG CD C 39.861 0.400 1 1421 146 152 ARG N N 120.345 0.400 1 1422 147 153 ILE H H 6.456 0.020 1 1423 147 153 ILE HA H 3.092 0.020 1 1424 147 153 ILE HB H 0.977 0.020 1 1425 147 153 ILE HG12 H -0.001 0.020 2 1426 147 153 ILE HG13 H 0.331 0.020 2 1427 147 153 ILE HG2 H 0.427 0.020 1 1428 147 153 ILE HD1 H -0.047 0.020 1 1429 147 153 ILE C C 169.144 0.400 1 1430 147 153 ILE CA C 58.998 0.400 1 1431 147 153 ILE CB C 34.622 0.400 1 1432 147 153 ILE CG1 C 25.871 0.400 1 1433 147 153 ILE CG2 C 16.496 0.400 1 1434 147 153 ILE CD1 C 11.496 0.400 1 1435 147 153 ILE N N 117.125 0.400 1 1436 148 154 THR H H 5.970 0.020 1 1437 148 154 THR HA H 5.250 0.020 1 1438 148 154 THR HB H 2.948 0.020 1 1439 148 154 THR HG2 H 0.800 0.020 1 1440 148 154 THR C C 170.209 0.400 1 1441 148 154 THR CA C 57.748 0.400 1 1442 148 154 THR CB C 69.624 0.400 1 1443 148 154 THR CG2 C 22.121 0.400 1 1444 148 154 THR N N 126.813 0.400 1 1445 149 155 LEU H H 9.256 0.020 1 1446 149 155 LEU HA H 3.699 0.020 1 1447 149 155 LEU HB2 H 1.712 0.020 2 1448 149 155 LEU HB3 H 1.711 0.020 2 1449 149 155 LEU HG H 1.622 0.020 1 1450 149 155 LEU HD1 H 0.982 0.020 2 1451 149 155 LEU HD2 H 0.871 0.020 2 1452 149 155 LEU C C 172.607 0.400 1 1453 149 155 LEU CA C 51.640 0.400 1 1454 149 155 LEU CB C 47.818 0.400 1 1455 149 155 LEU CG C 23.574 0.400 1 1456 149 155 LEU CD1 C 23.371 0.400 1 1457 149 155 LEU CD2 C 22.746 0.400 1 1458 149 155 LEU N N 123.766 0.400 1 1459 150 156 ARG H H 8.576 0.020 1 1460 150 156 ARG HA H 3.825 0.020 1 1461 150 156 ARG HB2 H 1.949 0.020 2 1462 150 156 ARG HB3 H 1.949 0.020 2 1463 150 156 ARG HG2 H 1.625 0.020 2 1464 150 156 ARG HG3 H 1.497 0.020 2 1465 150 156 ARG C C 172.255 0.400 1 1466 150 156 ARG CA C 54.072 0.400 1 1467 150 156 ARG CB C 33.362 0.400 1 1468 150 156 ARG CG C 25.403 0.400 1 1469 150 156 ARG N N 120.868 0.400 1 1470 151 157 LEU H H 7.711 0.020 1 1471 151 157 LEU HA H 5.327 0.020 1 1472 151 157 LEU HB2 H 1.715 0.020 2 1473 151 157 LEU HB3 H 1.325 0.020 2 1474 151 157 LEU C C 172.753 0.400 1 1475 151 157 LEU CA C 52.052 0.400 1 1476 151 157 LEU CB C 45.176 0.400 1 1477 151 157 LEU N N 120.471 0.400 1 1478 152 158 GLU H H 8.877 0.020 1 1479 152 158 GLU HA H 4.408 0.020 1 1480 152 158 GLU HB2 H 1.731 0.020 2 1481 152 158 GLU HB3 H 1.731 0.020 2 1482 152 158 GLU HG2 H 2.059 0.020 2 1483 152 158 GLU HG3 H 2.059 0.020 2 1484 152 158 GLU C C 171.389 0.400 1 1485 152 158 GLU CA C 52.440 0.400 1 1486 152 158 GLU CB C 33.990 0.400 1 1487 152 158 GLU CG C 33.572 0.400 1 1488 152 158 GLU N N 120.250 0.400 1 1489 153 159 LEU H H 9.110 0.020 1 1490 153 159 LEU HA H 5.047 0.020 1 1491 153 159 LEU HB2 H 1.537 0.020 2 1492 153 159 LEU HB3 H 1.409 0.020 2 1493 153 159 LEU HG H 1.309 0.020 1 1494 153 159 LEU HD1 H 1.009 0.020 2 1495 153 159 LEU HD2 H 0.858 0.020 2 1496 153 159 LEU C C 171.438 0.400 1 1497 153 159 LEU CA C 50.437 0.400 1 1498 153 159 LEU CB C 44.175 0.400 1 1499 153 159 LEU CG C 28.022 0.400 1 1500 153 159 LEU CD1 C 24.045 0.400 1 1501 153 159 LEU CD2 C 24.045 0.400 1 1502 153 159 LEU N N 126.250 0.400 1 1503 154 160 LEU H H 8.016 0.020 1 1504 154 160 LEU HA H 5.106 0.020 1 1505 154 160 LEU HB2 H 1.071 0.020 2 1506 154 160 LEU HB3 H 0.693 0.020 2 1507 154 160 LEU HG H 1.466 0.020 1 1508 154 160 LEU HD1 H 0.474 0.020 2 1509 154 160 LEU HD2 H 0.451 0.020 2 1510 154 160 LEU C C 173.932 0.400 1 1511 154 160 LEU CA C 48.998 0.400 1 1512 154 160 LEU CB C 41.497 0.400 1 1513 154 160 LEU CG C 26.496 0.400 1 1514 154 160 LEU CD1 C 22.746 0.400 1 1515 154 160 LEU CD2 C 18.996 0.400 1 1516 154 160 LEU N N 119.938 0.400 1 1517 155 161 GLY H H 8.995 0.020 1 1518 155 161 GLY HA2 H 4.544 0.020 2 1519 155 161 GLY HA3 H 4.321 0.020 2 1520 155 161 GLY C C 169.525 0.400 1 1521 155 161 GLY CA C 44.622 0.400 1 1522 155 161 GLY N N 108.063 0.400 1 1523 156 162 CYS H H 8.206 0.020 1 1524 156 162 CYS HA H 5.056 0.020 1 1525 156 162 CYS HB2 H 3.197 0.020 2 1526 156 162 CYS HB3 H 2.927 0.020 2 1527 156 162 CYS C C 171.731 0.400 1 1528 156 162 CYS CA C 52.123 0.400 1 1529 156 162 CYS CB C 39.080 0.400 1 1530 156 162 CYS N N 116.188 0.400 1 1531 157 163 LEU H H 8.511 0.020 1 1532 157 163 LEU HA H 4.230 0.020 1 1533 157 163 LEU HB2 H 1.404 0.020 2 1534 157 163 LEU HB3 H 1.404 0.020 2 1535 157 163 LEU HG H 1.376 0.020 1 1536 157 163 LEU HD1 H 0.770 0.020 2 1537 157 163 LEU HD2 H 0.724 0.020 2 1538 157 163 LEU C C 173.587 0.400 1 1539 157 163 LEU CA C 52.123 0.400 1 1540 157 163 LEU CB C 40.247 0.400 1 1541 157 163 LEU CG C 23.996 0.400 1 1542 157 163 LEU CD1 C 22.121 0.400 1 1543 157 163 LEU CD2 C 20.871 0.400 1 1544 157 163 LEU N N 124.938 0.400 1 1545 158 164 GLU H H 8.157 0.020 1 1546 158 164 GLU HA H 4.125 0.020 1 1547 158 164 GLU HB2 H 1.788 0.020 2 1548 158 164 GLU HB3 H 1.729 0.020 2 1549 158 164 GLU HG2 H 2.049 0.020 2 1550 158 164 GLU HG3 H 2.049 0.020 2 1551 158 164 GLU CA C 53.373 0.400 1 1552 158 164 GLU CB C 27.747 0.400 1 1553 158 164 GLU CG C 33.372 0.400 1 1554 158 164 GLU N N 120.875 0.400 1 stop_ save_