data_19752 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a protein domain ; _BMRB_accession_number 19752 _BMRB_flat_file_name bmr19752.str _Entry_type original _Submission_date 2014-01-24 _Accession_date 2014-01-24 _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 Feng Yingang . . 2 Gu Jingmin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 739 "13C chemical shifts" 560 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-05 update BMRB 'update entry citation' 2014-05-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and Biochemical Characterization Reveals LysGH15 as an Unprecedented "EF-Hand-Like" Calcium-Binding Phage Lysin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24831957 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gu Jingmin . . 2 Feng Yingang . . 3 Feng Xin . . 4 Sun Changjiang . . 5 Lei Liancheng . . 6 Ding Wei . . 7 Niu Fengfeng . . 8 Jiao Lianying . . 9 Yang Mei . . 10 Li Yue . . 11 Liu Xiaohe . . 12 Song Jun . . 13 Cui Ziyin . . 14 Han Dong . . 15 Du Chongtao . . 16 Yang Yongjun . . 17 Ouyang Songying . . 18 Liu Zhi-Jie . . 19 Han Wenyu . . stop_ _Journal_abbreviation 'Plos Pathog.' _Journal_volume 10 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1004109 _Page_last e1004109 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name LysGH15 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 14048.874 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; SNAKNYMDKGTSSSTVVKDG KTSSASTPATRPVTGSWKKN QYGTWYKPENATFVNGNQPI VTRIGSPFLNAPVGGNLPAG ATIVYDEVCIQAGHIWIGYN AYNGNRVYCPVRTCQGVPPN HIPGVAWGVFK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 ASN 3 3 ALA 4 4 LYS 5 5 ASN 6 6 TYR 7 7 MET 8 8 ASP 9 9 LYS 10 10 GLY 11 11 THR 12 12 SER 13 13 SER 14 14 SER 15 15 THR 16 16 VAL 17 17 VAL 18 18 LYS 19 19 ASP 20 20 GLY 21 21 LYS 22 22 THR 23 23 SER 24 24 SER 25 25 ALA 26 26 SER 27 27 THR 28 28 PRO 29 29 ALA 30 30 THR 31 31 ARG 32 32 PRO 33 33 VAL 34 34 THR 35 35 GLY 36 36 SER 37 37 TRP 38 38 LYS 39 39 LYS 40 40 ASN 41 41 GLN 42 42 TYR 43 43 GLY 44 44 THR 45 45 TRP 46 46 TYR 47 47 LYS 48 48 PRO 49 49 GLU 50 50 ASN 51 51 ALA 52 52 THR 53 53 PHE 54 54 VAL 55 55 ASN 56 56 GLY 57 57 ASN 58 58 GLN 59 59 PRO 60 60 ILE 61 61 VAL 62 62 THR 63 63 ARG 64 64 ILE 65 65 GLY 66 66 SER 67 67 PRO 68 68 PHE 69 69 LEU 70 70 ASN 71 71 ALA 72 72 PRO 73 73 VAL 74 74 GLY 75 75 GLY 76 76 ASN 77 77 LEU 78 78 PRO 79 79 ALA 80 80 GLY 81 81 ALA 82 82 THR 83 83 ILE 84 84 VAL 85 85 TYR 86 86 ASP 87 87 GLU 88 88 VAL 89 89 CYS 90 90 ILE 91 91 GLN 92 92 ALA 93 93 GLY 94 94 HIS 95 95 ILE 96 96 TRP 97 97 ILE 98 98 GLY 99 99 TYR 100 100 ASN 101 101 ALA 102 102 TYR 103 103 ASN 104 104 GLY 105 105 ASN 106 106 ARG 107 107 VAL 108 108 TYR 109 109 CYS 110 110 PRO 111 111 VAL 112 112 ARG 113 113 THR 114 114 CYS 115 115 GLN 116 116 GLY 117 117 VAL 118 118 PRO 119 119 PRO 120 120 ASN 121 121 HIS 122 122 ILE 123 123 PRO 124 124 GLY 125 125 VAL 126 126 ALA 127 127 TRP 128 128 GLY 129 129 VAL 130 130 PHE 131 131 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2MK5 "Solution Structure Of A Protein Domain" 100.00 131 100.00 100.00 3.41e-89 DBJ BAO09229 "hypothetical endolysin [Staphylococcus phage S25-3]" 97.71 495 99.22 99.22 7.25e-84 DBJ BAO09443 "putative endolysin [Staphylococcus phage S25-4]" 97.71 495 99.22 99.22 7.25e-84 DBJ BAO47098 "N-acetylmuramoyl-L-alanine amidase [Staphylococcus phage phiSA012]" 97.71 495 99.22 99.22 6.94e-84 EMBL CCA65933 "hypothetical protein [Staphylococcus phage ISP]" 97.71 209 99.22 99.22 1.79e-86 GB AAO47477 "ORF30/ORF32 [Staphylococcus phage K]" 97.71 495 99.22 99.22 7.32e-84 GB AAX92142 "ORF060 [Staphylococcus phage G1]" 97.71 209 99.22 99.22 1.79e-86 GB ABL87139 "endolysin [Staphylococcus phage 812]" 97.71 494 99.22 99.22 6.08e-84 GB ACB89049 "LysK [Staphylococcus phage A5W]" 97.71 495 99.22 99.22 7.32e-84 GB ADG26756 "endolysin [Staphylococcus phage GH15]" 97.71 495 99.22 100.00 1.72e-84 REF YP_007002194 "putative lysin [Staphylococcus phage GH15]" 97.71 495 99.22 100.00 1.72e-84 REF YP_007112796 "autolysin (n-acetylmuramoyl-l-alanine amidase) [Staphylococcus phage JD007]" 97.71 495 99.22 99.22 7.32e-84 REF YP_008854024 "putative endolysin [Staphylococcus phage S25-4]" 97.71 495 99.22 99.22 7.25e-84 REF YP_008854201 "hypothetical endolysin [Staphylococcus phage S25-3]" 97.71 495 99.22 99.22 7.25e-84 REF YP_008873573 "putative endolysin [Staphylococcus phage Sb-1]" 97.71 494 99.22 99.22 6.08e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity . . . . staphylococcal "phage GH15" stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli BL21(DE3) pMCSG7 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.1 mM '[U-13C; U-15N]' 'sodium phosphate' 40 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DSS 0.02 % 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ 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_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 600 _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_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(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_1 save_ save_3D_CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 100 . mM 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 entity _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 ASN HA H 4.7660 0.02 1 2 2 2 ASN HB2 H 2.8140 0.02 2 3 2 2 ASN HB3 H 2.8140 0.02 2 4 2 2 ASN HD21 H 6.9530 0.02 2 5 2 2 ASN HD22 H 7.6240 0.02 2 6 2 2 ASN C C 174.9300 0.3 1 7 2 2 ASN CA C 53.2090 0.3 1 8 2 2 ASN CB C 39.2130 0.3 1 9 2 2 ASN ND2 N 113.1300 0.2 1 10 3 3 ALA H H 8.3860 0.02 1 11 3 3 ALA HA H 4.2640 0.02 1 12 3 3 ALA HB H 1.3910 0.02 1 13 3 3 ALA C C 177.7900 0.3 1 14 3 3 ALA CA C 52.8370 0.3 1 15 3 3 ALA CB C 19.2400 0.3 1 16 3 3 ALA N N 124.6430 0.2 1 17 4 4 LYS H H 8.3000 0.02 1 18 4 4 LYS HA H 4.2230 0.02 1 19 4 4 LYS HB2 H 1.7030 0.02 2 20 4 4 LYS HB3 H 1.7030 0.02 2 21 4 4 LYS HG2 H 1.4160 0.02 2 22 4 4 LYS HG3 H 1.4160 0.02 2 23 4 4 LYS HD2 H 1.6680 0.02 2 24 4 4 LYS HD3 H 1.6680 0.02 2 25 4 4 LYS HE2 H 2.9790 0.02 2 26 4 4 LYS HE3 H 2.9790 0.02 2 27 4 4 LYS C C 176.2300 0.3 1 28 4 4 LYS CA C 56.5340 0.3 1 29 4 4 LYS CB C 32.8110 0.3 1 30 4 4 LYS CG C 24.7400 0.3 1 31 4 4 LYS CD C 29.1000 0.3 1 32 4 4 LYS CE C 42.1000 0.3 1 33 4 4 LYS N N 120.2030 0.2 1 34 5 5 ASN H H 8.3200 0.02 1 35 5 5 ASN HA H 4.6680 0.02 1 36 5 5 ASN HB2 H 2.7640 0.02 2 37 5 5 ASN HB3 H 2.7640 0.02 2 38 5 5 ASN HD21 H 6.9010 0.02 2 39 5 5 ASN HD22 H 7.5930 0.02 2 40 5 5 ASN C C 175.0330 0.3 1 41 5 5 ASN CA C 53.1250 0.3 1 42 5 5 ASN CB C 38.7770 0.3 1 43 5 5 ASN N N 119.2290 0.2 1 44 5 5 ASN ND2 N 112.6650 0.2 1 45 6 6 TYR H H 8.0870 0.02 1 46 6 6 TYR HA H 4.5100 0.02 1 47 6 6 TYR HB2 H 2.9840 0.02 2 48 6 6 TYR HB3 H 3.0330 0.02 2 49 6 6 TYR HD1 H 7.1130 0.02 3 50 6 6 TYR HD2 H 7.1130 0.02 3 51 6 6 TYR HE1 H 6.8360 0.02 3 52 6 6 TYR HE2 H 6.8360 0.02 3 53 6 6 TYR C C 175.5540 0.3 1 54 6 6 TYR CA C 58.2130 0.3 1 55 6 6 TYR CB C 38.6010 0.3 1 56 6 6 TYR CD1 C 133.2800 0.3 3 57 6 6 TYR CD2 C 133.2800 0.3 3 58 6 6 TYR CE1 C 118.4000 0.3 3 59 6 6 TYR CE2 C 118.4000 0.3 3 60 6 6 TYR N N 120.5930 0.2 1 61 7 7 MET H H 8.1210 0.02 1 62 7 7 MET HA H 4.3910 0.02 1 63 7 7 MET HB2 H 2.0130 0.02 2 64 7 7 MET HB3 H 2.0130 0.02 2 65 7 7 MET HG2 H 1.9170 0.02 2 66 7 7 MET HG3 H 1.9170 0.02 2 67 7 7 MET C C 175.6090 0.3 1 68 7 7 MET CA C 55.4940 0.3 1 69 7 7 MET CB C 32.9700 0.3 1 70 7 7 MET CG C 32.8000 0.3 1 71 7 7 MET N N 121.4770 0.2 1 72 8 8 ASP H H 8.1890 0.02 1 73 8 8 ASP HA H 4.5550 0.02 1 74 8 8 ASP HB2 H 2.7010 0.02 2 75 8 8 ASP HB3 H 2.7010 0.02 2 76 8 8 ASP C C 176.3440 0.3 1 77 8 8 ASP CA C 54.4710 0.3 1 78 8 8 ASP CB C 41.3220 0.3 1 79 8 8 ASP N N 121.7040 0.2 1 80 9 9 LYS H H 8.3350 0.02 1 81 9 9 LYS HA H 4.3070 0.02 1 82 9 9 LYS HB2 H 1.8590 0.02 2 83 9 9 LYS HB3 H 1.8590 0.02 2 84 9 9 LYS HG2 H 1.4150 0.02 2 85 9 9 LYS HG3 H 1.4150 0.02 2 86 9 9 LYS HD2 H 1.6670 0.02 2 87 9 9 LYS HD3 H 1.6670 0.02 2 88 9 9 LYS HE2 H 2.9840 0.02 2 89 9 9 LYS HE3 H 2.9840 0.02 2 90 9 9 LYS C C 177.2670 0.3 1 91 9 9 LYS CA C 56.6220 0.3 1 92 9 9 LYS CB C 32.7650 0.3 1 93 9 9 LYS CG C 24.6680 0.3 1 94 9 9 LYS CD C 29.0860 0.3 1 95 9 9 LYS CE C 42.0000 0.3 1 96 9 9 LYS N N 122.1680 0.2 1 97 10 10 GLY H H 8.4970 0.02 1 98 10 10 GLY HA2 H 4.0000 0.02 2 99 10 10 GLY HA3 H 4.0000 0.02 2 100 10 10 GLY C C 174.5680 0.3 1 101 10 10 GLY CA C 45.5830 0.3 1 102 10 10 GLY N N 109.5050 0.2 1 103 11 11 THR H H 8.0810 0.02 1 104 11 11 THR HA H 4.3960 0.02 1 105 11 11 THR HB H 4.2720 0.02 1 106 11 11 THR HG2 H 1.2050 0.02 1 107 11 11 THR C C 174.7190 0.3 1 108 11 11 THR CA C 61.7790 0.3 1 109 11 11 THR CB C 69.9630 0.3 1 110 11 11 THR CG2 C 21.3000 0.3 1 111 11 11 THR N N 113.3120 0.2 1 112 12 12 SER H H 8.4130 0.02 1 113 12 12 SER HA H 4.4990 0.02 1 114 12 12 SER HB2 H 3.9080 0.02 2 115 12 12 SER HB3 H 3.9080 0.02 2 116 12 12 SER C C 174.7660 0.3 1 117 12 12 SER CA C 58.4320 0.3 1 118 12 12 SER CB C 63.9860 0.3 1 119 12 12 SER N N 118.2720 0.2 1 120 13 13 SER H H 8.4140 0.02 1 121 13 13 SER HA H 4.5180 0.02 1 122 13 13 SER HB2 H 3.8990 0.02 2 123 13 13 SER HB3 H 3.8990 0.02 2 124 13 13 SER C C 174.6740 0.3 1 125 13 13 SER CA C 58.6070 0.3 1 126 13 13 SER CB C 63.8690 0.3 1 127 13 13 SER N N 118.1060 0.2 1 128 14 14 SER H H 8.3790 0.02 1 129 14 14 SER HA H 4.5350 0.02 1 130 14 14 SER HB2 H 3.9070 0.02 2 131 14 14 SER HB3 H 3.9070 0.02 2 132 14 14 SER C C 174.7430 0.3 1 133 14 14 SER CA C 58.6300 0.3 1 134 14 14 SER CB C 63.7980 0.3 1 135 14 14 SER N N 117.7240 0.2 1 136 15 15 THR H H 8.1950 0.02 1 137 15 15 THR HA H 4.3360 0.02 1 138 15 15 THR HB H 4.1860 0.02 1 139 15 15 THR HG2 H 1.1770 0.02 1 140 15 15 THR C C 174.3100 0.3 1 141 15 15 THR CA C 62.1610 0.3 1 142 15 15 THR CB C 69.6030 0.3 1 143 15 15 THR CG2 C 21.5400 0.3 1 144 15 15 THR N N 116.5490 0.2 1 145 16 16 VAL H H 8.1210 0.02 1 146 16 16 VAL HA H 4.1020 0.02 1 147 16 16 VAL HB H 2.0190 0.02 1 148 16 16 VAL HG1 H 0.9100 0.02 2 149 16 16 VAL HG2 H 0.9100 0.02 2 150 16 16 VAL C C 175.9340 0.3 1 151 16 16 VAL CA C 62.5120 0.3 1 152 16 16 VAL CB C 32.7380 0.3 1 153 16 16 VAL CG1 C 21.0000 0.3 2 154 16 16 VAL CG2 C 21.0000 0.3 2 155 16 16 VAL N N 123.4060 0.2 1 156 17 17 VAL H H 8.2930 0.02 1 157 17 17 VAL HA H 4.0850 0.02 1 158 17 17 VAL HB H 2.0090 0.02 1 159 17 17 VAL HG1 H 0.9130 0.02 2 160 17 17 VAL HG2 H 0.9130 0.02 2 161 17 17 VAL C C 176.1020 0.3 1 162 17 17 VAL CA C 62.2790 0.3 1 163 17 17 VAL CB C 32.6770 0.3 1 164 17 17 VAL CG1 C 21.0000 0.3 2 165 17 17 VAL CG2 C 21.0000 0.3 2 166 17 17 VAL N N 125.4450 0.2 1 167 18 18 LYS H H 8.4780 0.02 1 168 18 18 LYS HA H 4.3420 0.02 1 169 18 18 LYS HB2 H 1.7800 0.02 2 170 18 18 LYS HB3 H 1.7800 0.02 2 171 18 18 LYS HG2 H 1.3990 0.02 2 172 18 18 LYS HG3 H 1.3990 0.02 2 173 18 18 LYS HD2 H 1.6620 0.02 2 174 18 18 LYS HD3 H 1.6620 0.02 2 175 18 18 LYS HE2 H 2.9820 0.02 2 176 18 18 LYS HE3 H 2.9820 0.02 2 177 18 18 LYS C C 176.1380 0.3 1 178 18 18 LYS CA C 56.2050 0.3 1 179 18 18 LYS CB C 33.1460 0.3 1 180 18 18 LYS CG C 24.6900 0.3 1 181 18 18 LYS CD C 29.1600 0.3 1 182 18 18 LYS CE C 42.1300 0.3 1 183 18 18 LYS N N 126.2810 0.2 1 184 19 19 ASP H H 8.3790 0.02 1 185 19 19 ASP HA H 4.5640 0.02 1 186 19 19 ASP HB2 H 2.7040 0.02 2 187 19 19 ASP HB3 H 2.7040 0.02 2 188 19 19 ASP C C 176.6980 0.3 1 189 19 19 ASP CA C 54.3850 0.3 1 190 19 19 ASP CB C 41.2230 0.3 1 191 19 19 ASP N N 121.9040 0.2 1 192 20 20 GLY H H 8.3900 0.02 1 193 20 20 GLY HA2 H 3.9440 0.02 2 194 20 20 GLY HA3 H 3.9440 0.02 2 195 20 20 GLY C C 174.3740 0.3 1 196 20 20 GLY CA C 45.6380 0.3 1 197 20 20 GLY N N 109.1770 0.2 1 198 21 21 LYS H H 8.2290 0.02 1 199 21 21 LYS HA H 4.3890 0.02 1 200 21 21 LYS HB2 H 1.8500 0.02 2 201 21 21 LYS HB3 H 1.8500 0.02 2 202 21 21 LYS HG2 H 1.4120 0.02 2 203 21 21 LYS HG3 H 1.4120 0.02 2 204 21 21 LYS HD2 H 1.6630 0.02 2 205 21 21 LYS HD3 H 1.6630 0.02 2 206 21 21 LYS HE2 H 2.9830 0.02 2 207 21 21 LYS HE3 H 2.9830 0.02 2 208 21 21 LYS C C 177.0410 0.3 1 209 21 21 LYS CA C 56.5760 0.3 1 210 21 21 LYS CB C 33.0900 0.3 1 211 21 21 LYS CG C 24.7900 0.3 1 212 21 21 LYS CD C 29.1270 0.3 1 213 21 21 LYS CE C 42.0500 0.3 1 214 21 21 LYS N N 120.8140 0.2 1 215 22 22 THR H H 8.2370 0.02 1 216 22 22 THR HA H 4.3930 0.02 1 217 22 22 THR HB H 4.2680 0.02 1 218 22 22 THR HG2 H 1.1950 0.02 1 219 22 22 THR C C 174.6070 0.3 1 220 22 22 THR CA C 61.8800 0.3 1 221 22 22 THR CB C 69.7360 0.3 1 222 22 22 THR CG2 C 21.5500 0.3 1 223 22 22 THR N N 115.1050 0.2 1 224 24 24 SER HA H 4.4860 0.02 1 225 24 24 SER HB2 H 3.8850 0.02 2 226 24 24 SER HB3 H 3.8850 0.02 2 227 24 24 SER C C 174.2990 0.3 1 228 24 24 SER CA C 58.5470 0.3 1 229 24 24 SER CB C 63.7870 0.3 1 230 25 25 ALA H H 8.3280 0.02 1 231 25 25 ALA HA H 4.3760 0.02 1 232 25 25 ALA HB H 1.4080 0.02 1 233 25 25 ALA C C 177.6600 0.3 1 234 25 25 ALA CA C 52.6290 0.3 1 235 25 25 ALA CB C 19.2910 0.3 1 236 25 25 ALA N N 125.8910 0.2 1 237 26 26 SER H H 8.2670 0.02 1 238 26 26 SER HA H 4.4860 0.02 1 239 26 26 SER HB2 H 3.8580 0.02 2 240 26 26 SER HB3 H 3.8580 0.02 2 241 26 26 SER C C 174.2910 0.3 1 242 26 26 SER CA C 58.2370 0.3 1 243 26 26 SER CB C 63.9170 0.3 1 244 26 26 SER N N 115.1550 0.2 1 245 27 27 THR H H 8.1640 0.02 1 246 27 27 THR HA H 4.6270 0.02 1 247 27 27 THR HB H 4.1640 0.02 1 248 27 27 THR HG2 H 1.2360 0.02 1 249 27 27 THR C C 172.7820 0.3 1 250 27 27 THR CA C 59.7480 0.3 1 251 27 27 THR CB C 69.7020 0.3 1 252 27 27 THR CG2 C 21.3900 0.3 1 253 27 27 THR N N 118.3240 0.2 1 254 28 28 PRO HA H 4.4030 0.02 1 255 28 28 PRO HB2 H 2.3150 0.02 2 256 28 28 PRO HB3 H 1.9230 0.02 2 257 28 28 PRO HG2 H 2.0350 0.02 2 258 28 28 PRO HG3 H 2.0350 0.02 2 259 28 28 PRO HD2 H 3.7040 0.02 2 260 28 28 PRO HD3 H 3.8560 0.02 2 261 28 28 PRO C C 176.6300 0.3 1 262 28 28 PRO CA C 63.2500 0.3 1 263 28 28 PRO CB C 32.1650 0.3 1 264 28 28 PRO CG C 27.5100 0.3 1 265 28 28 PRO CD C 51.1600 0.3 1 266 29 29 ALA H H 8.4320 0.02 1 267 29 29 ALA HA H 4.3490 0.02 1 268 29 29 ALA HB H 1.4090 0.02 1 269 29 29 ALA C C 177.9740 0.3 1 270 29 29 ALA CA C 52.6550 0.3 1 271 29 29 ALA CB C 19.2770 0.3 1 272 29 29 ALA N N 124.2630 0.2 1 273 30 30 THR H H 8.1060 0.02 1 274 30 30 THR HA H 4.2810 0.02 1 275 30 30 THR HB H 4.1610 0.02 1 276 30 30 THR HG2 H 1.1810 0.02 1 277 30 30 THR C C 174.2570 0.3 1 278 30 30 THR CA C 61.6560 0.3 1 279 30 30 THR CB C 69.8010 0.3 1 280 30 30 THR CG2 C 21.4600 0.3 1 281 30 30 THR N N 113.3680 0.2 1 282 31 31 ARG H H 8.3180 0.02 1 283 31 31 ARG HA H 4.6500 0.02 1 284 31 31 ARG HB2 H 1.7400 0.02 2 285 31 31 ARG HB3 H 1.8450 0.02 2 286 31 31 ARG HG2 H 1.6760 0.02 2 287 31 31 ARG HG3 H 1.6760 0.02 2 288 31 31 ARG HD2 H 3.2070 0.02 2 289 31 31 ARG HD3 H 3.2070 0.02 2 290 31 31 ARG C C 174.0940 0.3 1 291 31 31 ARG CA C 54.0510 0.3 1 292 31 31 ARG CB C 30.3740 0.3 1 293 31 31 ARG CG C 26.8800 0.3 1 294 31 31 ARG CD C 43.4700 0.3 1 295 31 31 ARG N N 124.7000 0.2 1 296 32 32 PRO HA H 4.4990 0.02 1 297 32 32 PRO HB2 H 2.3040 0.02 2 298 32 32 PRO HB3 H 1.9110 0.02 2 299 32 32 PRO HG2 H 2.0340 0.02 2 300 32 32 PRO HG3 H 2.0340 0.02 2 301 32 32 PRO HD2 H 3.7030 0.02 2 302 32 32 PRO HD3 H 3.8560 0.02 2 303 32 32 PRO C C 177.0650 0.3 1 304 32 32 PRO CA C 63.0600 0.3 1 305 32 32 PRO CB C 32.1570 0.3 1 306 32 32 PRO CG C 27.5600 0.3 1 307 32 32 PRO CD C 51.1400 0.3 1 308 33 33 VAL H H 8.4470 0.02 1 309 33 33 VAL HA H 4.2080 0.02 1 310 33 33 VAL HB H 2.1410 0.02 1 311 33 33 VAL HG1 H 0.9910 0.02 2 312 33 33 VAL HG2 H 0.9910 0.02 2 313 33 33 VAL C C 176.6680 0.3 1 314 33 33 VAL CA C 62.6080 0.3 1 315 33 33 VAL CB C 32.7470 0.3 1 316 33 33 VAL CG1 C 21.2600 0.3 2 317 33 33 VAL CG2 C 20.5980 0.3 2 318 33 33 VAL N N 120.8900 0.2 1 319 34 34 THR H H 8.2210 0.02 1 320 34 34 THR HA H 4.3770 0.02 1 321 34 34 THR HB H 4.2780 0.02 1 322 34 34 THR HG2 H 1.1930 0.02 1 323 34 34 THR C C 174.7910 0.3 1 324 34 34 THR CA C 61.7000 0.3 1 325 34 34 THR CB C 69.6970 0.3 1 326 34 34 THR CG2 C 21.2500 0.3 1 327 34 34 THR N N 116.7090 0.2 1 328 35 35 GLY H H 8.3760 0.02 1 329 35 35 GLY HA2 H 3.9960 0.02 2 330 35 35 GLY HA3 H 3.9960 0.02 2 331 35 35 GLY C C 173.9400 0.3 1 332 35 35 GLY CA C 45.6560 0.3 1 333 35 35 GLY N N 111.1820 0.2 1 334 36 36 SER H H 8.4560 0.02 1 335 36 36 SER HA H 4.4560 0.02 1 336 36 36 SER HB2 H 3.8290 0.02 2 337 36 36 SER HB3 H 3.8290 0.02 2 338 36 36 SER C C 173.8800 0.3 1 339 36 36 SER CA C 58.2550 0.3 1 340 36 36 SER CB C 64.1950 0.3 1 341 36 36 SER N N 116.7790 0.2 1 342 37 37 TRP H H 8.1710 0.02 1 343 37 37 TRP HA H 4.5280 0.02 1 344 37 37 TRP HB2 H 3.1430 0.02 2 345 37 37 TRP HB3 H 3.3410 0.02 2 346 37 37 TRP HD1 H 7.4180 0.02 1 347 37 37 TRP HE1 H 10.2370 0.02 1 348 37 37 TRP HE3 H 7.3920 0.02 1 349 37 37 TRP HZ2 H 7.3440 0.02 1 350 37 37 TRP HZ3 H 6.8710 0.02 1 351 37 37 TRP HH2 H 6.7970 0.02 1 352 37 37 TRP C C 176.5000 0.3 1 353 37 37 TRP CA C 58.0900 0.3 1 354 37 37 TRP CB C 31.0070 0.3 1 355 37 37 TRP CD1 C 127.5200 0.3 1 356 37 37 TRP CE3 C 119.6700 0.3 1 357 37 37 TRP CZ2 C 114.0000 0.3 1 358 37 37 TRP CZ3 C 121.3500 0.3 1 359 37 37 TRP CH2 C 124.6000 0.3 1 360 37 37 TRP N N 121.7440 0.2 1 361 37 37 TRP NE1 N 128.7800 0.2 1 362 38 38 LYS H H 8.7360 0.02 1 363 38 38 LYS HA H 4.6260 0.02 1 364 38 38 LYS HB2 H 0.9850 0.02 2 365 38 38 LYS HB3 H 1.5770 0.02 2 366 38 38 LYS HG2 H 1.3270 0.02 2 367 38 38 LYS HG3 H 1.3270 0.02 2 368 38 38 LYS HD2 H 1.6670 0.02 2 369 38 38 LYS HD3 H 1.6670 0.02 2 370 38 38 LYS HE2 H 2.9830 0.02 2 371 38 38 LYS HE3 H 2.9830 0.02 2 372 38 38 LYS C C 172.8390 0.3 1 373 38 38 LYS CA C 55.1560 0.3 1 374 38 38 LYS CB C 36.6560 0.3 1 375 38 38 LYS CG C 25.5320 0.3 1 376 38 38 LYS CD C 29.3770 0.3 1 377 38 38 LYS CE C 42.2370 0.3 1 378 38 38 LYS N N 123.1580 0.2 1 379 39 39 LYS H H 8.1230 0.02 1 380 39 39 LYS HA H 4.7400 0.02 1 381 39 39 LYS HB2 H -0.5590 0.02 2 382 39 39 LYS HB3 H 0.8070 0.02 2 383 39 39 LYS HG2 H -0.0760 0.02 2 384 39 39 LYS HG3 H 0.8790 0.02 2 385 39 39 LYS HD2 H 1.0940 0.02 2 386 39 39 LYS HD3 H 1.2550 0.02 2 387 39 39 LYS HE2 H 2.6250 0.02 2 388 39 39 LYS HE3 H 2.7260 0.02 2 389 39 39 LYS C C 177.5100 0.3 1 390 39 39 LYS CA C 54.3160 0.3 1 391 39 39 LYS CB C 33.3570 0.3 1 392 39 39 LYS CG C 23.3400 0.3 1 393 39 39 LYS CD C 29.0000 0.3 1 394 39 39 LYS CE C 41.4900 0.3 1 395 39 39 LYS N N 121.5260 0.2 1 396 40 40 ASN H H 8.5830 0.02 1 397 40 40 ASN HA H 5.0560 0.02 1 398 40 40 ASN HB2 H 2.9200 0.02 2 399 40 40 ASN HB3 H 3.5790 0.02 2 400 40 40 ASN HD21 H 7.5550 0.02 2 401 40 40 ASN HD22 H 7.8420 0.02 2 402 40 40 ASN C C 177.5240 0.3 1 403 40 40 ASN CA C 50.8400 0.3 1 404 40 40 ASN CB C 39.1560 0.3 1 405 40 40 ASN N N 123.9880 0.2 1 406 40 40 ASN ND2 N 112.3200 0.2 1 407 41 41 GLN H H 8.8560 0.02 1 408 41 41 GLN HA H 4.0600 0.02 1 409 41 41 GLN HB2 H 1.8750 0.02 2 410 41 41 GLN HB3 H 1.7500 0.02 2 411 41 41 GLN HG2 H 1.4950 0.02 2 412 41 41 GLN HG3 H 1.4950 0.02 2 413 41 41 GLN HE21 H 6.8390 0.02 2 414 41 41 GLN HE22 H 7.2810 0.02 2 415 41 41 GLN C C 175.8290 0.3 1 416 41 41 GLN CA C 57.7610 0.3 1 417 41 41 GLN CB C 27.9470 0.3 1 418 41 41 GLN CG C 32.3870 0.3 1 419 41 41 GLN N N 116.5290 0.2 1 420 41 41 GLN NE2 N 112.7200 0.2 1 421 42 42 TYR H H 7.6040 0.02 1 422 42 42 TYR HA H 4.6510 0.02 1 423 42 42 TYR HB2 H 2.8460 0.02 2 424 42 42 TYR HB3 H 3.4850 0.02 2 425 42 42 TYR HD1 H 7.0050 0.02 3 426 42 42 TYR HD2 H 7.0050 0.02 3 427 42 42 TYR HE1 H 6.7540 0.02 3 428 42 42 TYR HE2 H 6.7540 0.02 3 429 42 42 TYR C C 175.7820 0.3 1 430 42 42 TYR CA C 57.1200 0.3 1 431 42 42 TYR CB C 38.1180 0.3 1 432 42 42 TYR CD1 C 132.8400 0.3 3 433 42 42 TYR CD2 C 132.8400 0.3 3 434 42 42 TYR CE1 C 118.3000 0.3 3 435 42 42 TYR CE2 C 118.3000 0.3 3 436 42 42 TYR N N 119.2550 0.2 1 437 43 43 GLY H H 7.9930 0.02 1 438 43 43 GLY HA2 H 4.3730 0.02 2 439 43 43 GLY HA3 H 3.3360 0.02 2 440 43 43 GLY C C 173.2970 0.3 1 441 43 43 GLY CA C 45.1630 0.3 1 442 43 43 GLY N N 106.3540 0.2 1 443 44 44 THR H H 7.7810 0.02 1 444 44 44 THR HA H 4.1760 0.02 1 445 44 44 THR HB H 4.0790 0.02 1 446 44 44 THR HG2 H 1.0680 0.02 1 447 44 44 THR C C 173.9690 0.3 1 448 44 44 THR CA C 62.1320 0.3 1 449 44 44 THR CB C 68.9890 0.3 1 450 44 44 THR CG2 C 23.5980 0.3 1 451 44 44 THR N N 120.0620 0.2 1 452 45 45 TRP H H 8.0410 0.02 1 453 45 45 TRP HA H 5.6760 0.02 1 454 45 45 TRP HB2 H 3.0820 0.02 2 455 45 45 TRP HB3 H 2.9130 0.02 2 456 45 45 TRP HD1 H 7.4370 0.02 1 457 45 45 TRP HE1 H 10.2430 0.02 1 458 45 45 TRP HE3 H 7.3040 0.02 1 459 45 45 TRP HZ2 H 7.4330 0.02 1 460 45 45 TRP HZ3 H 6.8790 0.02 1 461 45 45 TRP HH2 H 7.1480 0.02 1 462 45 45 TRP C C 175.9990 0.3 1 463 45 45 TRP CA C 56.6060 0.3 1 464 45 45 TRP CB C 30.6410 0.3 1 465 45 45 TRP CD1 C 126.9100 0.3 1 466 45 45 TRP CE3 C 119.6000 0.3 1 467 45 45 TRP CZ2 C 114.8500 0.3 1 468 45 45 TRP CZ3 C 121.6400 0.3 1 469 45 45 TRP CH2 C 124.7200 0.3 1 470 45 45 TRP N N 129.6660 0.2 1 471 45 45 TRP NE1 N 129.0900 0.2 1 472 46 46 TYR H H 10.3290 0.02 1 473 46 46 TYR HA H 6.3380 0.02 1 474 46 46 TYR HB2 H 2.8700 0.02 2 475 46 46 TYR HB3 H 3.2440 0.02 2 476 46 46 TYR HD1 H 7.0440 0.02 3 477 46 46 TYR HD2 H 7.0440 0.02 3 478 46 46 TYR HE1 H 6.5690 0.02 3 479 46 46 TYR HE2 H 6.5690 0.02 3 480 46 46 TYR C C 173.6630 0.3 1 481 46 46 TYR CA C 56.3070 0.3 1 482 46 46 TYR CB C 44.1250 0.3 1 483 46 46 TYR CD1 C 133.9000 0.3 3 484 46 46 TYR CD2 C 133.9000 0.3 3 485 46 46 TYR CE1 C 117.5900 0.3 3 486 46 46 TYR CE2 C 117.5900 0.3 3 487 46 46 TYR N N 122.9380 0.2 1 488 47 47 LYS H H 8.9230 0.02 1 489 47 47 LYS HA H 4.7710 0.02 1 490 47 47 LYS HB2 H 0.7860 0.02 2 491 47 47 LYS HB3 H 0.8750 0.02 2 492 47 47 LYS HG2 H 0.3190 0.02 2 493 47 47 LYS HG3 H 0.5460 0.02 2 494 47 47 LYS HD2 H -0.0170 0.02 2 495 47 47 LYS HD3 H 0.6700 0.02 2 496 47 47 LYS HE2 H 2.1340 0.02 2 497 47 47 LYS HE3 H 2.1340 0.02 2 498 47 47 LYS C C 172.4620 0.3 1 499 47 47 LYS CA C 53.7120 0.3 1 500 47 47 LYS CB C 34.1180 0.3 1 501 47 47 LYS CG C 22.4900 0.3 1 502 47 47 LYS CD C 28.8600 0.3 1 503 47 47 LYS CE C 41.6200 0.3 1 504 47 47 LYS N N 118.9860 0.2 1 505 48 48 PRO HA H 4.8020 0.02 1 506 48 48 PRO HB2 H 2.4000 0.02 2 507 48 48 PRO HB3 H 1.9660 0.02 2 508 48 48 PRO HG2 H 2.1330 0.02 2 509 48 48 PRO HG3 H 2.1330 0.02 2 510 48 48 PRO HD2 H 3.8210 0.02 2 511 48 48 PRO HD3 H 3.6030 0.02 2 512 48 48 PRO C C 176.7470 0.3 1 513 48 48 PRO CA C 62.6650 0.3 1 514 48 48 PRO CB C 32.0390 0.3 1 515 48 48 PRO CG C 27.8300 0.3 1 516 48 48 PRO CD C 50.8800 0.3 1 517 49 49 GLU H H 7.7710 0.02 1 518 49 49 GLU HA H 3.9880 0.02 1 519 49 49 GLU HB2 H 1.9550 0.02 2 520 49 49 GLU HB3 H 1.9550 0.02 2 521 49 49 GLU HG2 H 1.8250 0.02 2 522 49 49 GLU HG3 H 2.0490 0.02 2 523 49 49 GLU C C 170.9270 0.3 1 524 49 49 GLU CA C 57.8700 0.3 1 525 49 49 GLU CB C 33.2300 0.3 1 526 49 49 GLU CG C 37.4600 0.3 1 527 49 49 GLU N N 125.2850 0.2 1 528 50 50 ASN H H 8.1480 0.02 1 529 50 50 ASN HA H 5.3980 0.02 1 530 50 50 ASN HB2 H 2.6260 0.02 2 531 50 50 ASN HB3 H 2.6260 0.02 2 532 50 50 ASN HD21 H 6.8860 0.02 2 533 50 50 ASN HD22 H 7.6590 0.02 2 534 50 50 ASN C C 173.6480 0.3 1 535 50 50 ASN CA C 51.6860 0.3 1 536 50 50 ASN CB C 39.6460 0.3 1 537 50 50 ASN N N 122.3280 0.2 1 538 50 50 ASN ND2 N 112.6100 0.2 1 539 51 51 ALA H H 7.0850 0.02 1 540 51 51 ALA HA H 4.4530 0.02 1 541 51 51 ALA HB H 1.4410 0.02 1 542 51 51 ALA C C 172.8720 0.3 1 543 51 51 ALA CA C 51.5970 0.3 1 544 51 51 ALA CB C 19.6700 0.3 1 545 51 51 ALA N N 126.5270 0.2 1 546 52 52 THR H H 8.0360 0.02 1 547 52 52 THR HA H 5.1670 0.02 1 548 52 52 THR HB H 3.8220 0.02 1 549 52 52 THR HG2 H 1.0110 0.02 1 550 52 52 THR C C 172.8520 0.3 1 551 52 52 THR CA C 62.2320 0.3 1 552 52 52 THR CB C 71.0680 0.3 1 553 52 52 THR CG2 C 21.8700 0.3 1 554 52 52 THR N N 112.8310 0.2 1 555 53 53 PHE H H 9.7140 0.02 1 556 53 53 PHE HA H 5.3230 0.02 1 557 53 53 PHE HB2 H 2.9900 0.02 2 558 53 53 PHE HB3 H 2.7820 0.02 2 559 53 53 PHE HD1 H 7.0940 0.02 3 560 53 53 PHE HD2 H 7.0940 0.02 3 561 53 53 PHE C C 172.9280 0.3 1 562 53 53 PHE CA C 55.2750 0.3 1 563 53 53 PHE CB C 43.2050 0.3 1 564 53 53 PHE CD1 C 130.5200 0.3 3 565 53 53 PHE CD2 C 130.5200 0.3 3 566 53 53 PHE CZ C 124.5600 0.3 1 567 53 53 PHE N N 127.8830 0.2 1 568 54 54 VAL H H 8.5830 0.02 1 569 54 54 VAL HA H 4.3200 0.02 1 570 54 54 VAL HB H 1.6300 0.02 1 571 54 54 VAL HG1 H 0.5880 0.02 2 572 54 54 VAL HG2 H 0.6930 0.02 2 573 54 54 VAL C C 175.8420 0.3 1 574 54 54 VAL CA C 60.1520 0.3 1 575 54 54 VAL CB C 31.7380 0.3 1 576 54 54 VAL CG1 C 20.0300 0.3 2 577 54 54 VAL CG2 C 20.0300 0.3 2 578 54 54 VAL N N 127.2840 0.2 1 579 55 55 ASN H H 8.9700 0.02 1 580 55 55 ASN HA H 4.1600 0.02 1 581 55 55 ASN HB2 H 2.6120 0.02 2 582 55 55 ASN HB3 H 2.8900 0.02 2 583 55 55 ASN HD21 H 6.6490 0.02 2 584 55 55 ASN HD22 H 6.7460 0.02 2 585 55 55 ASN C C 176.3330 0.3 1 586 55 55 ASN CA C 53.5890 0.3 1 587 55 55 ASN CB C 38.6450 0.3 1 588 55 55 ASN N N 125.7230 0.2 1 589 55 55 ASN ND2 N 108.4150 0.2 1 590 56 56 GLY H H 8.3600 0.02 1 591 56 56 GLY HA2 H 3.7860 0.02 2 592 56 56 GLY HA3 H 4.2000 0.02 2 593 56 56 GLY C C 173.8820 0.3 1 594 56 56 GLY CA C 44.6760 0.3 1 595 56 56 GLY N N 114.3890 0.2 1 596 57 57 ASN H H 8.1490 0.02 1 597 57 57 ASN HA H 4.5110 0.02 1 598 57 57 ASN HB2 H 2.8320 0.02 2 599 57 57 ASN HB3 H 2.8320 0.02 2 600 57 57 ASN HD21 H 6.8660 0.02 2 601 57 57 ASN HD22 H 7.5570 0.02 2 602 57 57 ASN C C 174.7410 0.3 1 603 57 57 ASN CA C 54.2130 0.3 1 604 57 57 ASN CB C 38.6290 0.3 1 605 57 57 ASN N N 115.5110 0.2 1 606 57 57 ASN ND2 N 111.9600 0.2 1 607 58 58 GLN H H 7.7020 0.02 1 608 58 58 GLN HA H 4.9600 0.02 1 609 58 58 GLN HB2 H 1.8110 0.02 2 610 58 58 GLN HB3 H 1.9980 0.02 2 611 58 58 GLN HG2 H 2.2270 0.02 2 612 58 58 GLN HG3 H 2.2270 0.02 2 613 58 58 GLN HE21 H 6.8250 0.02 2 614 58 58 GLN HE22 H 7.3620 0.02 2 615 58 58 GLN C C 172.6030 0.3 1 616 58 58 GLN CA C 52.6330 0.3 1 617 58 58 GLN CB C 30.5680 0.3 1 618 58 58 GLN CG C 33.2000 0.3 1 619 58 58 GLN N N 118.1280 0.2 1 620 58 58 GLN NE2 N 112.6500 0.2 1 621 59 59 PRO HA H 4.9400 0.02 1 622 59 59 PRO HB2 H 1.7030 0.02 2 623 59 59 PRO HB3 H 2.2230 0.02 2 624 59 59 PRO HG2 H 2.0240 0.02 2 625 59 59 PRO HG3 H 2.0240 0.02 2 626 59 59 PRO HD2 H 3.7120 0.02 2 627 59 59 PRO HD3 H 3.7710 0.02 2 628 59 59 PRO C C 176.5060 0.3 1 629 59 59 PRO CA C 62.2560 0.3 1 630 59 59 PRO CB C 32.6600 0.3 1 631 59 59 PRO CG C 27.3600 0.3 1 632 59 59 PRO CD C 50.9200 0.3 1 633 60 60 ILE H H 8.1260 0.02 1 634 60 60 ILE HA H 4.2740 0.02 1 635 60 60 ILE HB H 1.5760 0.02 1 636 60 60 ILE HG12 H 0.9720 0.02 2 637 60 60 ILE HG13 H 1.8630 0.02 2 638 60 60 ILE HG2 H 1.2100 0.02 1 639 60 60 ILE HD1 H 1.2290 0.02 1 640 60 60 ILE C C 175.1900 0.3 1 641 60 60 ILE CA C 60.6870 0.3 1 642 60 60 ILE CB C 42.7450 0.3 1 643 60 60 ILE CG1 C 27.9100 0.3 1 644 60 60 ILE CG2 C 19.9400 0.3 1 645 60 60 ILE CD1 C 14.6700 0.3 1 646 60 60 ILE N N 120.9740 0.2 1 647 61 61 VAL H H 8.4210 0.02 1 648 61 61 VAL HA H 4.1130 0.02 1 649 61 61 VAL HB H 2.0220 0.02 1 650 61 61 VAL HG1 H 1.0230 0.02 2 651 61 61 VAL HG2 H 1.1000 0.02 2 652 61 61 VAL C C 175.9730 0.3 1 653 61 61 VAL CA C 64.2760 0.3 1 654 61 61 VAL CB C 31.9300 0.3 1 655 61 61 VAL CG1 C 21.7200 0.3 2 656 61 61 VAL CG2 C 21.7200 0.3 2 657 61 61 VAL N N 128.2240 0.2 1 658 62 62 THR H H 7.9890 0.02 1 659 62 62 THR HA H 5.0210 0.02 1 660 62 62 THR HB H 4.2850 0.02 1 661 62 62 THR HG2 H 1.3680 0.02 1 662 62 62 THR C C 174.9360 0.3 1 663 62 62 THR CA C 61.2860 0.3 1 664 62 62 THR CB C 71.1330 0.3 1 665 62 62 THR CG2 C 22.0500 0.3 1 666 62 62 THR N N 118.4540 0.2 1 667 63 63 ARG H H 9.3360 0.02 1 668 63 63 ARG HA H 5.4290 0.02 1 669 63 63 ARG HB2 H 2.0600 0.02 2 670 63 63 ARG HB3 H 2.0600 0.02 2 671 63 63 ARG HG2 H 1.8120 0.02 2 672 63 63 ARG HG3 H 2.3850 0.02 2 673 63 63 ARG HD2 H 3.1720 0.02 2 674 63 63 ARG HD3 H 3.2780 0.02 2 675 63 63 ARG C C 175.6070 0.3 1 676 63 63 ARG CA C 52.6470 0.3 1 677 63 63 ARG CB C 33.6030 0.3 1 678 63 63 ARG CG C 26.4600 0.3 1 679 63 63 ARG CD C 43.2800 0.3 1 680 63 63 ARG N N 118.2250 0.2 1 681 64 64 ILE H H 8.7410 0.02 1 682 64 64 ILE HA H 4.4650 0.02 1 683 64 64 ILE HB H 1.6950 0.02 1 684 64 64 ILE HG12 H 1.0170 0.02 2 685 64 64 ILE HG13 H 1.4220 0.02 2 686 64 64 ILE HG2 H 0.8590 0.02 1 687 64 64 ILE HD1 H 0.7860 0.02 1 688 64 64 ILE C C 179.2060 0.3 1 689 64 64 ILE CA C 60.1890 0.3 1 690 64 64 ILE CB C 38.2480 0.3 1 691 64 64 ILE CG1 C 27.2600 0.3 1 692 64 64 ILE CG2 C 17.1800 0.3 1 693 64 64 ILE CD1 C 12.1700 0.3 1 694 64 64 ILE N N 119.7460 0.2 1 695 65 65 GLY H H 9.3160 0.02 1 696 65 65 GLY HA2 H 3.5840 0.02 2 697 65 65 GLY HA3 H 4.3650 0.02 2 698 65 65 GLY C C 174.1850 0.3 1 699 65 65 GLY CA C 47.6710 0.3 1 700 65 65 GLY N N 116.0590 0.2 1 701 66 66 SER H H 7.4120 0.02 1 702 66 66 SER HA H 4.1600 0.02 1 703 66 66 SER HB2 H 3.4010 0.02 2 704 66 66 SER HB3 H 3.5720 0.02 2 705 66 66 SER C C 170.2810 0.3 1 706 66 66 SER CA C 56.2070 0.3 1 707 66 66 SER CB C 63.7370 0.3 1 708 66 66 SER N N 114.8400 0.2 1 709 67 67 PRO HA H 2.6390 0.02 1 710 67 67 PRO HB2 H -0.3520 0.02 2 711 67 67 PRO HB3 H -0.3520 0.02 2 712 67 67 PRO HG2 H 0.6410 0.02 2 713 67 67 PRO HG3 H 0.9710 0.02 2 714 67 67 PRO HD2 H 1.5140 0.02 2 715 67 67 PRO HD3 H 2.7380 0.02 2 716 67 67 PRO C C 170.0300 0.3 1 717 67 67 PRO CA C 59.6700 0.3 1 718 67 67 PRO CB C 25.9100 0.3 1 719 67 67 PRO CG C 26.6900 0.3 1 720 67 67 PRO CD C 48.7800 0.3 1 721 68 68 PHE H H 6.6100 0.02 1 722 68 68 PHE HA H 4.4930 0.02 1 723 68 68 PHE HB2 H 2.3650 0.02 2 724 68 68 PHE HB3 H 3.1410 0.02 2 725 68 68 PHE HD1 H 7.0060 0.02 3 726 68 68 PHE HD2 H 7.0060 0.02 3 727 68 68 PHE HE1 H 6.9750 0.02 3 728 68 68 PHE HE2 H 6.9750 0.02 3 729 68 68 PHE C C 177.0550 0.3 1 730 68 68 PHE CA C 55.6280 0.3 1 731 68 68 PHE CB C 43.3580 0.3 1 732 68 68 PHE CD1 C 131.6600 0.3 3 733 68 68 PHE CD2 C 131.6600 0.3 3 734 68 68 PHE CE1 C 129.0900 0.3 3 735 68 68 PHE CE2 C 129.0900 0.3 3 736 68 68 PHE N N 111.7780 0.2 1 737 69 69 LEU H H 8.3880 0.02 1 738 69 69 LEU HA H 4.3130 0.02 1 739 69 69 LEU HB2 H 1.7770 0.02 2 740 69 69 LEU HB3 H 1.8770 0.02 2 741 69 69 LEU HG H 1.8960 0.02 1 742 69 69 LEU HD1 H 1.1720 0.02 2 743 69 69 LEU HD2 H 0.8630 0.02 2 744 69 69 LEU C C 176.3260 0.3 1 745 69 69 LEU CA C 56.2310 0.3 1 746 69 69 LEU CB C 40.8700 0.3 1 747 69 69 LEU CG C 27.7500 0.3 1 748 69 69 LEU CD1 C 25.8800 0.3 2 749 69 69 LEU CD2 C 22.4400 0.3 2 750 69 69 LEU N N 119.4910 0.2 1 751 70 70 ASN H H 7.6750 0.02 1 752 70 70 ASN HA H 4.8420 0.02 1 753 70 70 ASN HB2 H 2.7080 0.02 2 754 70 70 ASN HB3 H 3.0990 0.02 2 755 70 70 ASN HD21 H 6.6530 0.02 2 756 70 70 ASN HD22 H 7.5060 0.02 2 757 70 70 ASN C C 175.6200 0.3 1 758 70 70 ASN CA C 51.6680 0.3 1 759 70 70 ASN CB C 37.6530 0.3 1 760 70 70 ASN N N 112.2290 0.2 1 761 70 70 ASN ND2 N 111.1400 0.2 1 762 71 71 ALA H H 7.1520 0.02 1 763 71 71 ALA HA H 4.5590 0.02 1 764 71 71 ALA HB H 1.6370 0.02 1 765 71 71 ALA C C 174.2740 0.3 1 766 71 71 ALA CA C 51.4700 0.3 1 767 71 71 ALA CB C 17.8430 0.3 1 768 71 71 ALA N N 123.9550 0.2 1 769 72 72 PRO HA H 4.4130 0.02 1 770 72 72 PRO HB2 H 2.3900 0.02 2 771 72 72 PRO HB3 H 1.9630 0.02 2 772 72 72 PRO HG2 H 2.1140 0.02 2 773 72 72 PRO HG3 H 2.1140 0.02 2 774 72 72 PRO HD2 H 3.8230 0.02 2 775 72 72 PRO HD3 H 3.6010 0.02 2 776 72 72 PRO C C 176.3420 0.3 1 777 72 72 PRO CA C 63.1190 0.3 1 778 72 72 PRO CB C 32.1560 0.3 1 779 72 72 PRO CG C 27.8000 0.3 1 780 72 72 PRO CD C 51.0500 0.3 1 781 73 73 VAL H H 8.3280 0.02 1 782 73 73 VAL HA H 4.2840 0.02 1 783 73 73 VAL HB H 2.1480 0.02 1 784 73 73 VAL HG1 H 1.0860 0.02 2 785 73 73 VAL HG2 H 1.0860 0.02 2 786 73 73 VAL C C 177.8640 0.3 1 787 73 73 VAL CA C 63.2770 0.3 1 788 73 73 VAL CB C 32.7240 0.3 1 789 73 73 VAL CG1 C 21.6400 0.3 2 790 73 73 VAL CG2 C 21.6400 0.3 2 791 73 73 VAL N N 121.0780 0.2 1 792 74 74 GLY H H 8.7810 0.02 1 793 74 74 GLY HA2 H 3.4120 0.02 2 794 74 74 GLY HA3 H 4.3350 0.02 2 795 74 74 GLY C C 173.9630 0.3 1 796 74 74 GLY CA C 44.7850 0.3 1 797 74 74 GLY N N 114.1180 0.2 1 798 75 75 GLY H H 7.2780 0.02 1 799 75 75 GLY HA2 H 3.8990 0.02 2 800 75 75 GLY HA3 H 4.3030 0.02 2 801 75 75 GLY C C 173.4600 0.3 1 802 75 75 GLY CA C 43.7480 0.3 1 803 75 75 GLY N N 107.3240 0.2 1 804 76 76 ASN H H 8.7970 0.02 1 805 76 76 ASN HA H 5.4220 0.02 1 806 76 76 ASN HB2 H 2.2580 0.02 2 807 76 76 ASN HB3 H 2.6060 0.02 2 808 76 76 ASN HD21 H 6.7400 0.02 2 809 76 76 ASN HD22 H 7.3470 0.02 2 810 76 76 ASN C C 175.7600 0.3 1 811 76 76 ASN CA C 52.2770 0.3 1 812 76 76 ASN CB C 39.2130 0.3 1 813 76 76 ASN N N 119.6820 0.2 1 814 76 76 ASN ND2 N 111.1600 0.2 1 815 77 77 LEU H H 10.0830 0.02 1 816 77 77 LEU HA H 4.8710 0.02 1 817 77 77 LEU HB2 H 1.3870 0.02 2 818 77 77 LEU HB3 H 2.0720 0.02 2 819 77 77 LEU HG H 1.6360 0.02 1 820 77 77 LEU HD1 H 0.9970 0.02 2 821 77 77 LEU HD2 H 1.1310 0.02 2 822 77 77 LEU C C 174.3740 0.3 1 823 77 77 LEU CA C 52.2140 0.3 1 824 77 77 LEU CB C 43.0710 0.3 1 825 77 77 LEU CG C 27.0860 0.3 1 826 77 77 LEU CD1 C 24.8950 0.3 2 827 77 77 LEU CD2 C 27.0860 0.3 2 828 77 77 LEU N N 129.5450 0.2 1 829 78 78 PRO HA H 4.3290 0.02 1 830 78 78 PRO HB2 H 2.3700 0.02 2 831 78 78 PRO HB3 H 1.8490 0.02 2 832 78 78 PRO HG2 H 1.9790 0.02 2 833 78 78 PRO HG3 H 2.0540 0.02 2 834 78 78 PRO HD2 H 4.3160 0.02 2 835 78 78 PRO HD3 H 3.5310 0.02 2 836 78 78 PRO C C 177.5530 0.3 1 837 78 78 PRO CA C 62.5810 0.3 1 838 78 78 PRO CB C 32.7210 0.3 1 839 78 78 PRO CG C 27.4900 0.3 1 840 78 78 PRO CD C 51.4700 0.3 1 841 79 79 ALA H H 8.5850 0.02 1 842 79 79 ALA HA H 4.2600 0.02 1 843 79 79 ALA HB H 1.1580 0.02 1 844 79 79 ALA C C 179.9840 0.3 1 845 79 79 ALA CA C 53.1780 0.3 1 846 79 79 ALA CB C 18.2460 0.3 1 847 79 79 ALA N N 125.2940 0.2 1 848 80 80 GLY H H 8.0040 0.02 1 849 80 80 GLY HA2 H 3.8770 0.02 2 850 80 80 GLY HA3 H 3.8770 0.02 2 851 80 80 GLY C C 173.4990 0.3 1 852 80 80 GLY CA C 45.9540 0.3 1 853 80 80 GLY N N 110.9700 0.2 1 854 81 81 ALA H H 7.3630 0.02 1 855 81 81 ALA HA H 4.2510 0.02 1 856 81 81 ALA HB H 1.4440 0.02 1 857 81 81 ALA C C 175.7090 0.3 1 858 81 81 ALA CA C 52.7650 0.3 1 859 81 81 ALA CB C 20.8530 0.3 1 860 81 81 ALA N N 122.2490 0.2 1 861 82 82 THR H H 8.1810 0.02 1 862 82 82 THR HA H 5.1710 0.02 1 863 82 82 THR HB H 3.9020 0.02 1 864 82 82 THR HG2 H 1.0450 0.02 1 865 82 82 THR C C 174.6180 0.3 1 866 82 82 THR CA C 62.1180 0.3 1 867 82 82 THR CB C 70.5550 0.3 1 868 82 82 THR CG2 C 21.5500 0.3 1 869 82 82 THR N N 114.9800 0.2 1 870 83 83 ILE H H 9.6270 0.02 1 871 83 83 ILE HA H 4.4040 0.02 1 872 83 83 ILE HB H 1.6820 0.02 1 873 83 83 ILE HG12 H 0.8140 0.02 2 874 83 83 ILE HG13 H 1.0960 0.02 2 875 83 83 ILE HG2 H 0.4080 0.02 1 876 83 83 ILE HD1 H 0.6080 0.02 1 877 83 83 ILE C C 173.9260 0.3 1 878 83 83 ILE CA C 58.3390 0.3 1 879 83 83 ILE CB C 42.2280 0.3 1 880 83 83 ILE CG1 C 27.0400 0.3 1 881 83 83 ILE CG2 C 18.0800 0.3 1 882 83 83 ILE CD1 C 12.3600 0.3 1 883 83 83 ILE N N 127.4800 0.2 1 884 84 84 VAL H H 8.0590 0.02 1 885 84 84 VAL HA H 4.6730 0.02 1 886 84 84 VAL HB H 1.9500 0.02 1 887 84 84 VAL HG1 H 0.8490 0.02 2 888 84 84 VAL HG2 H 0.8490 0.02 2 889 84 84 VAL C C 175.5010 0.3 1 890 84 84 VAL CA C 62.1350 0.3 1 891 84 84 VAL CB C 31.6560 0.3 1 892 84 84 VAL CG1 C 21.0400 0.3 2 893 84 84 VAL CG2 C 21.0400 0.3 2 894 84 84 VAL N N 128.2460 0.2 1 895 85 85 TYR H H 8.8400 0.02 1 896 85 85 TYR HA H 5.4250 0.02 1 897 85 85 TYR HB2 H 2.6070 0.02 2 898 85 85 TYR HB3 H 3.9550 0.02 2 899 85 85 TYR HD1 H 7.3890 0.02 3 900 85 85 TYR HD2 H 7.3890 0.02 3 901 85 85 TYR HE1 H 6.6860 0.02 3 902 85 85 TYR HE2 H 6.6860 0.02 3 903 85 85 TYR C C 174.2730 0.3 1 904 85 85 TYR CA C 55.8110 0.3 1 905 85 85 TYR CB C 42.2760 0.3 1 906 85 85 TYR CD1 C 135.6500 0.3 3 907 85 85 TYR CD2 C 135.6500 0.3 3 908 85 85 TYR CE1 C 116.5900 0.3 3 909 85 85 TYR CE2 C 116.5900 0.3 3 910 85 85 TYR N N 126.8620 0.2 1 911 86 86 ASP H H 8.8430 0.02 1 912 86 86 ASP HA H 5.4680 0.02 1 913 86 86 ASP HB2 H 2.4350 0.02 2 914 86 86 ASP HB3 H 3.0670 0.02 2 915 86 86 ASP C C 177.9430 0.3 1 916 86 86 ASP CA C 54.2030 0.3 1 917 86 86 ASP CB C 43.5750 0.3 1 918 86 86 ASP N N 115.0860 0.2 1 919 87 87 GLU H H 8.1210 0.02 1 920 87 87 GLU HA H 5.1150 0.02 1 921 87 87 GLU HB2 H 1.8400 0.02 2 922 87 87 GLU HB3 H 2.1030 0.02 2 923 87 87 GLU HG2 H 2.2810 0.02 2 924 87 87 GLU HG3 H 2.3580 0.02 2 925 87 87 GLU C C 173.6130 0.3 1 926 87 87 GLU CA C 55.7720 0.3 1 927 87 87 GLU CB C 35.5070 0.3 1 928 87 87 GLU CG C 37.2500 0.3 1 929 87 87 GLU N N 124.2080 0.2 1 930 88 88 VAL H H 8.8220 0.02 1 931 88 88 VAL HA H 5.7140 0.02 1 932 88 88 VAL HB H 1.8990 0.02 1 933 88 88 VAL HG1 H 0.9180 0.02 2 934 88 88 VAL HG2 H 1.0050 0.02 2 935 88 88 VAL C C 175.4800 0.3 1 936 88 88 VAL CA C 59.7700 0.3 1 937 88 88 VAL CB C 35.6440 0.3 1 938 88 88 VAL CG1 C 22.3200 0.3 2 939 88 88 VAL CG2 C 22.3200 0.3 2 940 88 88 VAL N N 121.7540 0.2 1 941 89 89 CYS H H 9.4040 0.02 1 942 89 89 CYS HA H 6.2990 0.02 1 943 89 89 CYS HB2 H 2.4390 0.02 2 944 89 89 CYS HB3 H 2.9130 0.02 2 945 89 89 CYS C C 174.1260 0.3 1 946 89 89 CYS CA C 56.0850 0.3 1 947 89 89 CYS CB C 33.1040 0.3 1 948 89 89 CYS N N 118.2340 0.2 1 949 90 90 ILE H H 9.7730 0.02 1 950 90 90 ILE HA H 5.2330 0.02 1 951 90 90 ILE HB H 1.4120 0.02 1 952 90 90 ILE HG12 H 0.8530 0.02 2 953 90 90 ILE HG13 H 1.3340 0.02 2 954 90 90 ILE HG2 H 0.7960 0.02 1 955 90 90 ILE HD1 H -0.5850 0.02 1 956 90 90 ILE C C 176.2100 0.3 1 957 90 90 ILE CA C 61.5590 0.3 1 958 90 90 ILE CB C 41.4890 0.3 1 959 90 90 ILE CG1 C 28.0400 0.3 1 960 90 90 ILE CG2 C 17.1000 0.3 1 961 90 90 ILE CD1 C 13.7000 0.3 1 962 90 90 ILE N N 122.0850 0.2 1 963 91 91 GLN H H 8.9100 0.02 1 964 91 91 GLN HA H 4.6190 0.02 1 965 91 91 GLN HB2 H 1.7380 0.02 2 966 91 91 GLN HB3 H 2.3160 0.02 2 967 91 91 GLN HG2 H 1.0560 0.02 2 968 91 91 GLN HG3 H 1.5830 0.02 2 969 91 91 GLN HE21 H 6.5180 0.02 2 970 91 91 GLN HE22 H 7.7590 0.02 2 971 91 91 GLN C C 176.0190 0.3 1 972 91 91 GLN CA C 55.2220 0.3 1 973 91 91 GLN CB C 31.1930 0.3 1 974 91 91 GLN CG C 34.8900 0.3 1 975 91 91 GLN N N 125.8840 0.2 1 976 91 91 GLN NE2 N 116.0100 0.2 1 977 92 92 ALA H H 9.8880 0.02 1 978 92 92 ALA HA H 4.5240 0.02 1 979 92 92 ALA HB H 1.8880 0.02 1 980 92 92 ALA C C 178.5140 0.3 1 981 92 92 ALA CA C 53.4660 0.3 1 982 92 92 ALA CB C 18.2690 0.3 1 983 92 92 ALA N N 131.3000 0.2 1 984 93 93 GLY H H 9.6750 0.02 1 985 93 93 GLY HA2 H 4.0870 0.02 2 986 93 93 GLY HA3 H 3.8060 0.02 2 987 93 93 GLY C C 174.7960 0.3 1 988 93 93 GLY CA C 46.4700 0.3 1 989 93 93 GLY N N 107.6220 0.2 1 990 94 94 HIS H H 8.3370 0.02 1 991 94 94 HIS HA H 4.8260 0.02 1 992 94 94 HIS HB2 H 2.2300 0.02 2 993 94 94 HIS HB3 H 2.5300 0.02 2 994 94 94 HIS HD2 H 6.3640 0.02 1 995 94 94 HIS HE1 H 7.8490 0.02 1 996 94 94 HIS C C 173.5750 0.3 1 997 94 94 HIS CA C 56.2200 0.3 1 998 94 94 HIS CB C 31.7330 0.3 1 999 94 94 HIS CD2 C 127.2900 0.3 1 1000 94 94 HIS CE1 C 139.1200 0.3 1 1001 94 94 HIS N N 118.2330 0.2 1 1002 95 95 ILE H H 8.1160 0.02 1 1003 95 95 ILE HA H 5.2110 0.02 1 1004 95 95 ILE HB H 1.2780 0.02 1 1005 95 95 ILE HG12 H 1.0230 0.02 2 1006 95 95 ILE HG13 H 1.4060 0.02 2 1007 95 95 ILE HG2 H 0.9020 0.02 1 1008 95 95 ILE HD1 H 0.8510 0.02 1 1009 95 95 ILE C C 174.5550 0.3 1 1010 95 95 ILE CA C 60.9820 0.3 1 1011 95 95 ILE CB C 38.7830 0.3 1 1012 95 95 ILE CG1 C 30.3800 0.3 1 1013 95 95 ILE CG2 C 17.2700 0.3 1 1014 95 95 ILE CD1 C 13.6600 0.3 1 1015 95 95 ILE N N 118.9640 0.2 1 1016 96 96 TRP H H 9.8690 0.02 1 1017 96 96 TRP HA H 5.4770 0.02 1 1018 96 96 TRP HB2 H 2.7780 0.02 2 1019 96 96 TRP HB3 H 3.1650 0.02 2 1020 96 96 TRP HD1 H 7.1670 0.02 1 1021 96 96 TRP HE1 H 10.3390 0.02 1 1022 96 96 TRP HE3 H 7.0580 0.02 1 1023 96 96 TRP HZ2 H 6.7410 0.02 1 1024 96 96 TRP HZ3 H 6.8230 0.02 1 1025 96 96 TRP HH2 H 6.5920 0.02 1 1026 96 96 TRP C C 176.2160 0.3 1 1027 96 96 TRP CA C 54.2430 0.3 1 1028 96 96 TRP CB C 31.7680 0.3 1 1029 96 96 TRP CD1 C 127.3700 0.3 1 1030 96 96 TRP CE3 C 119.9500 0.3 1 1031 96 96 TRP CZ2 C 113.6800 0.3 1 1032 96 96 TRP CZ3 C 121.2000 0.3 1 1033 96 96 TRP CH2 C 123.3400 0.3 1 1034 96 96 TRP N N 127.0920 0.2 1 1035 96 96 TRP NE1 N 133.3100 0.2 1 1036 97 97 ILE H H 8.8930 0.02 1 1037 97 97 ILE HA H 5.4720 0.02 1 1038 97 97 ILE HB H 1.5060 0.02 1 1039 97 97 ILE HG12 H 1.1170 0.02 2 1040 97 97 ILE HG13 H 1.6190 0.02 2 1041 97 97 ILE HG2 H 0.1150 0.02 1 1042 97 97 ILE HD1 H 0.4590 0.02 1 1043 97 97 ILE C C 175.2780 0.3 1 1044 97 97 ILE CA C 59.1840 0.3 1 1045 97 97 ILE CB C 39.6490 0.3 1 1046 97 97 ILE CG1 C 25.4200 0.3 1 1047 97 97 ILE CG2 C 15.7970 0.3 1 1048 97 97 ILE CD1 C 14.3760 0.3 1 1049 97 97 ILE N N 113.2830 0.2 1 1050 98 98 GLY H H 9.0430 0.02 1 1051 98 98 GLY HA2 H 3.0650 0.02 2 1052 98 98 GLY HA3 H 5.0790 0.02 2 1053 98 98 GLY C C 172.0480 0.3 1 1054 98 98 GLY CA C 45.1200 0.3 1 1055 98 98 GLY N N 109.6840 0.2 1 1056 99 99 TYR H H 8.4340 0.02 1 1057 99 99 TYR HA H 4.9080 0.02 1 1058 99 99 TYR HB2 H 3.0820 0.02 2 1059 99 99 TYR HB3 H 3.2900 0.02 2 1060 99 99 TYR HD1 H 6.6280 0.02 3 1061 99 99 TYR HD2 H 6.6280 0.02 3 1062 99 99 TYR HE1 H 6.4950 0.02 3 1063 99 99 TYR HE2 H 6.4950 0.02 3 1064 99 99 TYR C C 172.6260 0.3 1 1065 99 99 TYR CA C 56.2590 0.3 1 1066 99 99 TYR CB C 40.1470 0.3 1 1067 99 99 TYR CD1 C 133.9000 0.3 3 1068 99 99 TYR CD2 C 133.9000 0.3 3 1069 99 99 TYR CE1 C 117.4000 0.3 3 1070 99 99 TYR CE2 C 117.4000 0.3 3 1071 99 99 TYR N N 117.8090 0.2 1 1072 100 100 ASN H H 8.8440 0.02 1 1073 100 100 ASN HA H 5.2860 0.02 1 1074 100 100 ASN HB2 H 2.5750 0.02 2 1075 100 100 ASN HB3 H 2.7590 0.02 2 1076 100 100 ASN HD21 H 7.5060 0.02 2 1077 100 100 ASN HD22 H 7.0990 0.02 2 1078 100 100 ASN C C 175.3150 0.3 1 1079 100 100 ASN CA C 51.9860 0.3 1 1080 100 100 ASN CB C 39.3750 0.3 1 1081 100 100 ASN N N 117.1390 0.2 1 1082 100 100 ASN ND2 N 115.0500 0.2 1 1083 101 101 ALA H H 8.8700 0.02 1 1084 101 101 ALA HA H 4.6370 0.02 1 1085 101 101 ALA HB H 1.5040 0.02 1 1086 101 101 ALA C C 179.0950 0.3 1 1087 101 101 ALA CA C 51.2120 0.3 1 1088 101 101 ALA CB C 20.6420 0.3 1 1089 101 101 ALA N N 126.2180 0.2 1 1090 102 102 TYR H H 8.7200 0.02 1 1091 102 102 TYR HA H 4.3390 0.02 1 1092 102 102 TYR HB2 H 3.1200 0.02 2 1093 102 102 TYR HB3 H 3.1870 0.02 2 1094 102 102 TYR HD1 H 7.1970 0.02 3 1095 102 102 TYR HD2 H 7.1970 0.02 3 1096 102 102 TYR HE1 H 6.8950 0.02 3 1097 102 102 TYR HE2 H 6.8950 0.02 3 1098 102 102 TYR C C 175.9860 0.3 1 1099 102 102 TYR CA C 60.1440 0.3 1 1100 102 102 TYR CB C 37.6530 0.3 1 1101 102 102 TYR CD1 C 133.2900 0.3 3 1102 102 102 TYR CD2 C 133.2900 0.3 3 1103 102 102 TYR CE1 C 118.4200 0.3 3 1104 102 102 TYR CE2 C 118.4200 0.3 3 1105 102 102 TYR N N 121.0670 0.2 1 1106 103 103 ASN H H 7.4900 0.02 1 1107 103 103 ASN HA H 4.4120 0.02 1 1108 103 103 ASN HB2 H 2.5200 0.02 2 1109 103 103 ASN HB3 H 3.0550 0.02 2 1110 103 103 ASN HD21 H 6.5960 0.02 2 1111 103 103 ASN HD22 H 7.4130 0.02 2 1112 103 103 ASN C C 175.9630 0.3 1 1113 103 103 ASN CA C 52.2460 0.3 1 1114 103 103 ASN CB C 37.2450 0.3 1 1115 103 103 ASN N N 115.2890 0.2 1 1116 103 103 ASN ND2 N 109.3700 0.2 1 1117 104 104 GLY H H 8.0200 0.02 1 1118 104 104 GLY HA2 H 3.6000 0.02 2 1119 104 104 GLY HA3 H 4.2690 0.02 2 1120 104 104 GLY C C 174.6200 0.3 1 1121 104 104 GLY CA C 45.1280 0.3 1 1122 104 104 GLY N N 107.2040 0.2 1 1123 105 105 ASN H H 7.7030 0.02 1 1124 105 105 ASN HA H 4.5760 0.02 1 1125 105 105 ASN HB2 H 2.4290 0.02 2 1126 105 105 ASN HB3 H 2.6680 0.02 2 1127 105 105 ASN HD21 H 7.1170 0.02 2 1128 105 105 ASN HD22 H 7.3180 0.02 2 1129 105 105 ASN C C 173.8050 0.3 1 1130 105 105 ASN CA C 53.0300 0.3 1 1131 105 105 ASN CB C 38.9840 0.3 1 1132 105 105 ASN N N 118.5810 0.2 1 1133 105 105 ASN ND2 N 111.6500 0.2 1 1134 106 106 ARG H H 8.6350 0.02 1 1135 106 106 ARG HA H 4.5640 0.02 1 1136 106 106 ARG HB2 H 1.6460 0.02 2 1137 106 106 ARG HB3 H 1.8770 0.02 2 1138 106 106 ARG HG2 H 1.2420 0.02 2 1139 106 106 ARG HG3 H 1.7340 0.02 2 1140 106 106 ARG HD2 H 2.9500 0.02 2 1141 106 106 ARG HD3 H 3.0880 0.02 2 1142 106 106 ARG C C 174.3600 0.3 1 1143 106 106 ARG CA C 54.6620 0.3 1 1144 106 106 ARG CB C 30.6070 0.3 1 1145 106 106 ARG CG C 25.8900 0.3 1 1146 106 106 ARG CD C 42.3100 0.3 1 1147 106 106 ARG N N 123.1910 0.2 1 1148 107 107 VAL H H 8.6680 0.02 1 1149 107 107 VAL HA H 4.5530 0.02 1 1150 107 107 VAL HB H 0.7620 0.02 1 1151 107 107 VAL HG1 H 0.7820 0.02 2 1152 107 107 VAL HG2 H 0.5400 0.02 2 1153 107 107 VAL C C 172.2900 0.3 1 1154 107 107 VAL CA C 60.6840 0.3 1 1155 107 107 VAL CB C 34.4770 0.3 1 1156 107 107 VAL CG1 C 22.6100 0.3 2 1157 107 107 VAL CG2 C 21.9400 0.3 2 1158 107 107 VAL N N 128.4820 0.2 1 1159 108 108 TYR H H 8.9440 0.02 1 1160 108 108 TYR HA H 5.4930 0.02 1 1161 108 108 TYR HB2 H 2.1090 0.02 2 1162 108 108 TYR HB3 H 2.7050 0.02 2 1163 108 108 TYR HD1 H 6.4200 0.02 3 1164 108 108 TYR HD2 H 6.4200 0.02 3 1165 108 108 TYR HE1 H 6.5080 0.02 3 1166 108 108 TYR HE2 H 6.5080 0.02 3 1167 108 108 TYR C C 175.2150 0.3 1 1168 108 108 TYR CA C 56.5720 0.3 1 1169 108 108 TYR CB C 42.4350 0.3 1 1170 108 108 TYR CD1 C 132.2500 0.3 3 1171 108 108 TYR CD2 C 132.2500 0.3 3 1172 108 108 TYR CE1 C 118.0000 0.3 3 1173 108 108 TYR CE2 C 118.0000 0.3 3 1174 108 108 TYR N N 119.0550 0.2 1 1175 109 109 CYS H H 9.6750 0.02 1 1176 109 109 CYS HA H 5.4450 0.02 1 1177 109 109 CYS HB2 H 2.5910 0.02 2 1178 109 109 CYS HB3 H 3.1230 0.02 2 1179 109 109 CYS C C 171.8990 0.3 1 1180 109 109 CYS CA C 54.1650 0.3 1 1181 109 109 CYS CB C 29.8030 0.3 1 1182 109 109 CYS N N 124.3770 0.2 1 1183 110 110 PRO HA H 4.1790 0.02 1 1184 110 110 PRO HB2 H 1.0980 0.02 2 1185 110 110 PRO HB3 H -0.4200 0.02 2 1186 110 110 PRO HG2 H 1.3500 0.02 2 1187 110 110 PRO HG3 H 2.0410 0.02 2 1188 110 110 PRO HD2 H 4.1640 0.02 2 1189 110 110 PRO HD3 H 3.8600 0.02 2 1190 110 110 PRO C C 175.4900 0.3 1 1191 110 110 PRO CA C 62.5980 0.3 1 1192 110 110 PRO CB C 29.4560 0.3 1 1193 110 110 PRO CG C 25.8400 0.3 1 1194 110 110 PRO CD C 50.8500 0.3 1 1195 111 111 VAL H H 8.3820 0.02 1 1196 111 111 VAL HA H 4.4090 0.02 1 1197 111 111 VAL HB H 1.9290 0.02 1 1198 111 111 VAL HG1 H -0.0810 0.02 2 1199 111 111 VAL HG2 H 0.4890 0.02 2 1200 111 111 VAL C C 173.5980 0.3 1 1201 111 111 VAL CA C 61.0930 0.3 1 1202 111 111 VAL CB C 33.5210 0.3 1 1203 111 111 VAL CG1 C 21.7200 0.3 2 1204 111 111 VAL CG2 C 18.4200 0.3 2 1205 111 111 VAL N N 109.2930 0.2 1 1206 112 112 ARG H H 6.7350 0.02 1 1207 112 112 ARG HA H 3.1580 0.02 1 1208 112 112 ARG HB2 H 1.4220 0.02 2 1209 112 112 ARG HB3 H 2.1680 0.02 2 1210 112 112 ARG HG2 H 1.4020 0.02 2 1211 112 112 ARG HG3 H 1.5450 0.02 2 1212 112 112 ARG HD2 H 2.7140 0.02 2 1213 112 112 ARG HD3 H 3.3300 0.02 2 1214 112 112 ARG C C 175.4800 0.3 1 1215 112 112 ARG CA C 54.4490 0.3 1 1216 112 112 ARG CB C 32.1460 0.3 1 1217 112 112 ARG CG C 22.6100 0.3 1 1218 112 112 ARG CD C 44.9200 0.3 1 1219 112 112 ARG N N 110.8250 0.2 1 1220 113 113 THR H H 8.8980 0.02 1 1221 113 113 THR HA H 4.2380 0.02 1 1222 113 113 THR HB H 4.1390 0.02 1 1223 113 113 THR HG2 H 1.2830 0.02 1 1224 113 113 THR C C 174.1230 0.3 1 1225 113 113 THR CA C 62.4680 0.3 1 1226 113 113 THR CB C 70.5020 0.3 1 1227 113 113 THR CG2 C 21.8100 0.3 1 1228 113 113 THR N N 111.0020 0.2 1 1229 114 114 CYS H H 7.9360 0.02 1 1230 114 114 CYS HA H 4.5150 0.02 1 1231 114 114 CYS HB2 H 2.2960 0.02 2 1232 114 114 CYS HB3 H 2.3620 0.02 2 1233 114 114 CYS C C 172.6690 0.3 1 1234 114 114 CYS CA C 59.6170 0.3 1 1235 114 114 CYS CB C 29.5450 0.3 1 1236 114 114 CYS N N 119.5220 0.2 1 1237 115 115 GLN H H 7.9630 0.02 1 1238 115 115 GLN HA H 4.6280 0.02 1 1239 115 115 GLN HB2 H 2.0660 0.02 2 1240 115 115 GLN HB3 H 1.9230 0.02 2 1241 115 115 GLN HG2 H 2.3000 0.02 2 1242 115 115 GLN HG3 H 2.3400 0.02 2 1243 115 115 GLN HE21 H 6.8510 0.02 2 1244 115 115 GLN HE22 H 7.5560 0.02 2 1245 115 115 GLN C C 175.4560 0.3 1 1246 115 115 GLN CA C 54.2420 0.3 1 1247 115 115 GLN CB C 31.1760 0.3 1 1248 115 115 GLN CG C 33.8800 0.3 1 1249 115 115 GLN N N 129.3420 0.2 1 1250 115 115 GLN NE2 N 112.2500 0.2 1 1251 116 116 GLY H H 8.5910 0.02 1 1252 116 116 GLY HA2 H 3.7200 0.02 2 1253 116 116 GLY HA3 H 4.1400 0.02 2 1254 116 116 GLY C C 171.9070 0.3 1 1255 116 116 GLY CA C 44.2170 0.3 1 1256 116 116 GLY N N 112.3110 0.2 1 1257 117 117 VAL H H 7.7450 0.02 1 1258 117 117 VAL HA H 4.1380 0.02 1 1259 117 117 VAL HB H 1.3030 0.02 1 1260 117 117 VAL HG1 H 0.7910 0.02 2 1261 117 117 VAL HG2 H 0.6300 0.02 2 1262 117 117 VAL C C 171.8570 0.3 1 1263 117 117 VAL CA C 57.9570 0.3 1 1264 117 117 VAL CB C 32.5490 0.3 1 1265 117 117 VAL CG1 C 21.4500 0.3 2 1266 117 117 VAL CG2 C 17.6000 0.3 2 1267 117 117 VAL N N 110.1130 0.2 1 1268 118 118 PRO HA H 4.4960 0.02 1 1269 118 118 PRO HB2 H 0.1710 0.02 2 1270 118 118 PRO HB3 H 0.9590 0.02 2 1271 118 118 PRO HG2 H -0.6120 0.02 2 1272 118 118 PRO HG3 H -0.0520 0.02 2 1273 118 118 PRO HD2 H 2.1270 0.02 2 1274 118 118 PRO HD3 H 1.1680 0.02 2 1275 118 118 PRO CA C 61.4900 0.3 1 1276 118 118 PRO CB C 29.7600 0.3 1 1277 118 118 PRO CG C 26.6900 0.3 1 1278 118 118 PRO CD C 49.3100 0.3 1 1279 119 119 PRO HA H 4.3760 0.02 1 1280 119 119 PRO HB2 H 2.3350 0.02 2 1281 119 119 PRO HB3 H 2.1220 0.02 2 1282 119 119 PRO HG2 H 1.5670 0.02 2 1283 119 119 PRO HG3 H 1.9290 0.02 2 1284 119 119 PRO HD2 H 3.3150 0.02 2 1285 119 119 PRO HD3 H 3.2520 0.02 2 1286 119 119 PRO C C 176.0060 0.3 1 1287 119 119 PRO CA C 64.1560 0.3 1 1288 119 119 PRO CB C 34.0350 0.3 1 1289 119 119 PRO CG C 24.2200 0.3 1 1290 119 119 PRO CD C 49.1500 0.3 1 1291 120 120 ASN H H 8.4140 0.02 1 1292 120 120 ASN HA H 4.9040 0.02 1 1293 120 120 ASN HB2 H 2.5530 0.02 2 1294 120 120 ASN HB3 H 2.9390 0.02 2 1295 120 120 ASN HD21 H 7.0040 0.02 2 1296 120 120 ASN HD22 H 7.7000 0.02 2 1297 120 120 ASN C C 172.9630 0.3 1 1298 120 120 ASN CA C 53.1150 0.3 1 1299 120 120 ASN CB C 39.2270 0.3 1 1300 120 120 ASN N N 124.4720 0.2 1 1301 120 120 ASN ND2 N 114.5900 0.2 1 1302 121 121 HIS H H 8.5910 0.02 1 1303 121 121 HIS HA H 4.4270 0.02 1 1304 121 121 HIS HB2 H 1.7000 0.02 2 1305 121 121 HIS HB3 H 2.1300 0.02 2 1306 121 121 HIS HD2 H 6.2360 0.02 1 1307 121 121 HIS HE1 H 7.3630 0.02 1 1308 121 121 HIS C C 174.7880 0.3 1 1309 121 121 HIS CA C 55.7000 0.3 1 1310 121 121 HIS CB C 30.7080 0.3 1 1311 121 121 HIS CD2 C 115.3850 0.3 1 1312 121 121 HIS CE1 C 137.9100 0.3 1 1313 121 121 HIS N N 120.2760 0.2 1 1314 122 122 ILE H H 8.8830 0.02 1 1315 122 122 ILE HA H 4.3450 0.02 1 1316 122 122 ILE HB H 1.7400 0.02 1 1317 122 122 ILE HG12 H 0.8690 0.02 2 1318 122 122 ILE HG13 H 1.3920 0.02 2 1319 122 122 ILE HG2 H 0.7160 0.02 1 1320 122 122 ILE HD1 H 0.7250 0.02 1 1321 122 122 ILE C C 174.7180 0.3 1 1322 122 122 ILE CA C 58.1300 0.3 1 1323 122 122 ILE CB C 39.7700 0.3 1 1324 122 122 ILE CG1 C 26.4300 0.3 1 1325 122 122 ILE CG2 C 17.5800 0.3 1 1326 122 122 ILE CD1 C 13.1300 0.3 1 1327 122 122 ILE N N 120.4740 0.2 1 1328 123 123 PRO HA H 4.4960 0.02 1 1329 123 123 PRO HB2 H 2.0670 0.02 2 1330 123 123 PRO HB3 H 1.9370 0.02 2 1331 123 123 PRO HG2 H 1.6830 0.02 2 1332 123 123 PRO HG3 H 1.6830 0.02 2 1333 123 123 PRO HD2 H 3.5760 0.02 2 1334 123 123 PRO HD3 H 3.4800 0.02 2 1335 123 123 PRO C C 177.1040 0.3 1 1336 123 123 PRO CA C 62.6070 0.3 1 1337 123 123 PRO CB C 32.5290 0.3 1 1338 123 123 PRO CG C 27.4300 0.3 1 1339 123 123 PRO CD C 51.4900 0.3 1 1340 124 124 GLY H H 8.5530 0.02 1 1341 124 124 GLY HA2 H 3.7540 0.02 2 1342 124 124 GLY HA3 H 4.2470 0.02 2 1343 124 124 GLY C C 173.9060 0.3 1 1344 124 124 GLY CA C 43.1170 0.3 1 1345 124 124 GLY N N 111.0300 0.2 1 1346 125 125 VAL H H 8.4930 0.02 1 1347 125 125 VAL HA H 3.9200 0.02 1 1348 125 125 VAL HB H 2.0860 0.02 1 1349 125 125 VAL HG1 H 1.1110 0.02 2 1350 125 125 VAL HG2 H 1.1220 0.02 2 1351 125 125 VAL C C 176.1480 0.3 1 1352 125 125 VAL CA C 63.6380 0.3 1 1353 125 125 VAL CB C 32.1180 0.3 1 1354 125 125 VAL CG1 C 20.8900 0.3 2 1355 125 125 VAL CG2 C 21.4200 0.3 2 1356 125 125 VAL N N 121.9160 0.2 1 1357 126 126 ALA H H 8.8350 0.02 1 1358 126 126 ALA HA H 4.4900 0.02 1 1359 126 126 ALA HB H 1.7380 0.02 1 1360 126 126 ALA C C 179.4470 0.3 1 1361 126 126 ALA CA C 52.6690 0.3 1 1362 126 126 ALA CB C 20.6280 0.3 1 1363 126 126 ALA N N 127.8720 0.2 1 1364 127 127 TRP H H 8.5550 0.02 1 1365 127 127 TRP HA H 5.1130 0.02 1 1366 127 127 TRP HB2 H 3.2540 0.02 2 1367 127 127 TRP HB3 H 3.7310 0.02 2 1368 127 127 TRP HD1 H 7.1300 0.02 1 1369 127 127 TRP HE1 H 9.9850 0.02 1 1370 127 127 TRP HE3 H 7.5910 0.02 1 1371 127 127 TRP HZ2 H 7.4540 0.02 1 1372 127 127 TRP HZ3 H 6.7920 0.02 1 1373 127 127 TRP HH2 H 7.2320 0.02 1 1374 127 127 TRP C C 174.6840 0.3 1 1375 127 127 TRP CA C 55.6290 0.3 1 1376 127 127 TRP CB C 28.1540 0.3 1 1377 127 127 TRP CD1 C 125.3800 0.3 1 1378 127 127 TRP CE3 C 121.2300 0.3 1 1379 127 127 TRP CZ2 C 113.6900 0.3 1 1380 127 127 TRP CZ3 C 121.2200 0.3 1 1381 127 127 TRP CH2 C 124.1600 0.3 1 1382 127 127 TRP N N 121.9280 0.2 1 1383 127 127 TRP NE1 N 128.2100 0.2 1 1384 128 128 GLY H H 7.2800 0.02 1 1385 128 128 GLY HA2 H 3.9370 0.02 2 1386 128 128 GLY HA3 H 3.9370 0.02 2 1387 128 128 GLY C C 171.6940 0.3 1 1388 128 128 GLY CA C 45.6890 0.3 1 1389 128 128 GLY N N 103.9810 0.2 1 1390 129 129 VAL H H 8.2740 0.02 1 1391 129 129 VAL HA H 4.3430 0.02 1 1392 129 129 VAL HB H 1.8370 0.02 1 1393 129 129 VAL HG1 H 0.8110 0.02 2 1394 129 129 VAL HG2 H 0.8630 0.02 2 1395 129 129 VAL C C 173.2550 0.3 1 1396 129 129 VAL CA C 60.6610 0.3 1 1397 129 129 VAL CB C 35.5510 0.3 1 1398 129 129 VAL CG1 C 21.0000 0.3 2 1399 129 129 VAL CG2 C 21.0000 0.3 2 1400 129 129 VAL N N 119.0780 0.2 1 1401 130 130 PHE H H 8.4640 0.02 1 1402 130 130 PHE HA H 5.5440 0.02 1 1403 130 130 PHE HB2 H 2.9420 0.02 2 1404 130 130 PHE HB3 H 3.4050 0.02 2 1405 130 130 PHE HD1 H 7.6960 0.02 3 1406 130 130 PHE HD2 H 7.6960 0.02 3 1407 130 130 PHE HE1 H 7.0900 0.02 3 1408 130 130 PHE HE2 H 7.0900 0.02 3 1409 130 130 PHE HZ H 6.8540 0.02 1 1410 130 130 PHE C C 175.7710 0.3 1 1411 130 130 PHE CA C 57.1760 0.3 1 1412 130 130 PHE CB C 40.6700 0.3 1 1413 130 130 PHE CD1 C 133.2900 0.3 3 1414 130 130 PHE CD2 C 133.2900 0.3 3 1415 130 130 PHE CE1 C 130.5000 0.3 3 1416 130 130 PHE CE2 C 130.5000 0.3 3 1417 130 130 PHE CZ C 128.3400 0.3 1 1418 130 130 PHE N N 122.6330 0.2 1 1419 131 131 LYS H H 9.3750 0.02 1 1420 131 131 LYS HA H 4.4520 0.02 1 1421 131 131 LYS HB2 H 1.6610 0.02 2 1422 131 131 LYS HB3 H 1.7970 0.02 2 1423 131 131 LYS HG2 H 1.2350 0.02 2 1424 131 131 LYS HG3 H 1.2350 0.02 2 1425 131 131 LYS HD2 H 1.5770 0.02 2 1426 131 131 LYS HD3 H 1.5770 0.02 2 1427 131 131 LYS HE2 H 2.8410 0.02 2 1428 131 131 LYS HE3 H 2.8410 0.02 2 1429 131 131 LYS C C 180.4930 0.3 1 1430 131 131 LYS CA C 57.1340 0.3 1 1431 131 131 LYS CB C 35.0230 0.3 1 1432 131 131 LYS CG C 24.5900 0.3 1 1433 131 131 LYS CD C 29.5200 0.3 1 1434 131 131 LYS CE C 41.9400 0.3 1 1435 131 131 LYS N N 128.7800 0.2 1 stop_ save_