data_11597 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain ; _BMRB_accession_number 11597 _BMRB_flat_file_name bmr11597.str _Entry_type original _Submission_date 2015-09-24 _Accession_date 2015-10-01 _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 Kasai Takuma . . 2 Pawlak Jana . . 3 Imamoto Akira . . 4 Kigawa Takanori . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 583 "13C chemical shifts" 440 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-19 original BMRB . stop_ _Original_release_date 2016-09-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A premetazoan origin of the CRK gene family and co-opted signaling network ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shigeno-Nakazawa Yoko . . 2 Kasai Takuma . . 3 Kostyanovskaya Elina . . 4 Pawlak Jana . . 5 Yamagishi Junya . . 6 Okimoto Noriaki . . 7 Taiji Makoto . . 8 Okada Mariko . . 9 Sauka-Spengler Tatjana . . 10 Westbrook Jody . . 11 Satta Yoko . . 12 Kigawa Takanori . . 13 Imamoto Akira . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain' $crka1_SH2_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_crka1_SH2_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common crka1_SH2_domain _Molecular_mass 11482.751 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GSSGSSGMAEAAAPWYHGPL SRTDAENSLLRMPEGTFLVR DSTSSPGDYVLSCSENGKVT HYKLSAEEGKIRIDTHLFDN LDAAITFYMEHELEYSSLKQ PLQR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 . SER 4 -3 GLY 5 -2 SER 6 -1 SER 7 0 GLY 8 1 MET 9 2 ALA 10 3 GLU 11 4 ALA 12 5 ALA 13 6 ALA 14 7 PRO 15 8 TRP 16 9 TYR 17 10 HIS 18 11 GLY 19 12 PRO 20 13 LEU 21 14 SER 22 15 ARG 23 16 THR 24 17 ASP 25 18 ALA 26 19 GLU 27 20 ASN 28 21 SER 29 22 LEU 30 23 LEU 31 24 ARG 32 25 MET 33 26 PRO 34 27 GLU 35 28 GLY 36 29 THR 37 30 PHE 38 31 LEU 39 32 VAL 40 33 ARG 41 34 ASP 42 35 SER 43 36 THR 44 37 SER 45 38 SER 46 39 PRO 47 40 GLY 48 41 ASP 49 42 TYR 50 43 VAL 51 44 LEU 52 45 SER 53 46 CYS 54 47 SER 55 48 GLU 56 49 ASN 57 50 GLY 58 51 LYS 59 52 VAL 60 53 THR 61 54 HIS 62 55 TYR 63 56 LYS 64 57 LEU 65 58 SER 66 59 ALA 67 60 GLU 68 61 GLU 69 62 GLY 70 63 LYS 71 64 ILE 72 65 ARG 73 66 ILE 74 67 ASP 75 68 THR 76 69 HIS 77 70 LEU 78 71 PHE 79 72 ASP 80 73 ASN 81 74 LEU 82 75 ASP 83 76 ALA 84 77 ALA 85 78 ILE 86 79 THR 87 80 PHE 88 81 TYR 89 82 MET 90 83 GLU 91 84 HIS 92 85 GLU 93 86 LEU 94 87 GLU 95 88 TYR 96 89 SER 97 90 SER 98 91 LEU 99 92 LYS 100 93 GLN 101 94 PRO 102 95 LEU 103 96 GLN 104 97 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GB KT795324 crka1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $crka1_SH2_domain 'Monosiga brevicollis' 81824 Eukaryota . Monosiga brevicollis crka1 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 $crka1_SH2_domain 'cell free synthesis' . . . . P100927-01 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 $crka1_SH2_domain 1.1 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DTT 1 mM [U-2H] D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.6 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20110801 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2_01 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9843 loop_ _Vendor _Address _Electronic_address 'Kobayashi, Iwahara, Koshiba, Tomizawa, Tochio, G ntert, Kigawa, Yokoyama' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7.0 . 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 water C 13 protons ppm 4.768 internal indirect . . . 0.251449530 water H 1 protons ppm 4.768 internal direct . . . 1.000000000 water N 15 protons ppm 4.768 internal 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 '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 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 4 GLY HA2 H 4.047 0.030 1 2 -3 4 GLY HA3 H 4.047 0.030 1 3 -3 4 GLY C C 174.400 0.300 1 4 -3 4 GLY CA C 45.452 0.300 1 5 -2 5 SER H H 8.297 0.030 1 6 -2 5 SER HA H 4.547 0.030 1 7 -2 5 SER HB2 H 3.897 0.030 1 8 -2 5 SER HB3 H 3.897 0.030 1 9 -2 5 SER C C 174.847 0.300 1 10 -2 5 SER CA C 58.412 0.300 1 11 -2 5 SER CB C 63.931 0.300 1 12 -2 5 SER N N 115.849 0.300 1 13 -1 6 SER H H 8.451 0.030 1 14 -1 6 SER HA H 4.501 0.030 1 15 -1 6 SER HB2 H 3.942 0.030 1 16 -1 6 SER HB3 H 3.942 0.030 1 17 -1 6 SER C C 175.080 0.300 1 18 -1 6 SER CA C 58.809 0.300 1 19 -1 6 SER CB C 63.870 0.300 1 20 -1 6 SER N N 117.877 0.300 1 21 0 7 GLY H H 8.436 0.030 1 22 0 7 GLY HA2 H 4.004 0.030 1 23 0 7 GLY HA3 H 4.004 0.030 1 24 0 7 GLY C C 174.167 0.300 1 25 0 7 GLY CA C 45.504 0.300 1 26 0 7 GLY N N 110.719 0.300 1 27 1 8 MET H H 8.158 0.030 1 28 1 8 MET HA H 4.486 0.030 1 29 1 8 MET HB2 H 1.982 0.030 2 30 1 8 MET HB3 H 2.058 0.030 2 31 1 8 MET HG2 H 2.496 0.030 2 32 1 8 MET HG3 H 2.545 0.030 2 33 1 8 MET HE H 1.969 0.030 1 34 1 8 MET C C 176.206 0.300 1 35 1 8 MET CA C 55.582 0.300 1 36 1 8 MET CB C 32.986 0.300 1 37 1 8 MET CG C 32.107 0.300 1 38 1 8 MET CE C 17.061 0.300 1 39 1 8 MET N N 119.918 0.300 1 40 2 9 ALA H H 8.390 0.030 1 41 2 9 ALA HA H 4.259 0.030 1 42 2 9 ALA HB H 1.361 0.030 1 43 2 9 ALA C C 178.049 0.300 1 44 2 9 ALA CA C 52.996 0.300 1 45 2 9 ALA CB C 19.049 0.300 1 46 2 9 ALA N N 125.406 0.300 1 47 3 10 GLU H H 8.467 0.030 1 48 3 10 GLU HA H 4.149 0.030 1 49 3 10 GLU HB2 H 1.879 0.030 2 50 3 10 GLU HB3 H 1.999 0.030 2 51 3 10 GLU HG2 H 2.237 0.030 1 52 3 10 GLU HG3 H 2.237 0.030 1 53 3 10 GLU C C 176.260 0.300 1 54 3 10 GLU CA C 57.010 0.300 1 55 3 10 GLU CB C 29.844 0.300 1 56 3 10 GLU CG C 36.538 0.300 1 57 3 10 GLU N N 119.927 0.300 1 58 4 11 ALA H H 8.038 0.030 1 59 4 11 ALA HA H 4.183 0.030 1 60 4 11 ALA HB H 1.326 0.030 1 61 4 11 ALA C C 177.244 0.300 1 62 4 11 ALA CA C 52.680 0.300 1 63 4 11 ALA CB C 19.092 0.300 1 64 4 11 ALA N N 123.615 0.300 1 65 5 12 ALA H H 7.980 0.030 1 66 5 12 ALA HA H 4.252 0.030 1 67 5 12 ALA HB H 1.360 0.030 1 68 5 12 ALA C C 177.011 0.300 1 69 5 12 ALA CA C 51.781 0.300 1 70 5 12 ALA CB C 19.573 0.300 1 71 5 12 ALA N N 121.663 0.300 1 72 6 13 ALA H H 7.957 0.030 1 73 6 13 ALA HA H 4.080 0.030 1 74 6 13 ALA HB H 0.080 0.030 1 75 6 13 ALA C C 177.119 0.300 1 76 6 13 ALA CA C 50.318 0.300 1 77 6 13 ALA CB C 16.643 0.300 1 78 6 13 ALA N N 124.098 0.300 1 79 7 14 PRO HA H 4.229 0.030 1 80 7 14 PRO HB2 H 1.777 0.030 1 81 7 14 PRO HB3 H 2.403 0.030 1 82 7 14 PRO HG2 H 1.956 0.030 1 83 7 14 PRO HG3 H 2.146 0.030 1 84 7 14 PRO HD2 H 3.398 0.030 1 85 7 14 PRO HD3 H 3.683 0.030 1 86 7 14 PRO C C 175.509 0.300 1 87 7 14 PRO CA C 64.568 0.300 1 88 7 14 PRO CB C 32.126 0.300 1 89 7 14 PRO CG C 27.728 0.300 1 90 7 14 PRO CD C 50.367 0.300 1 91 8 15 TRP H H 5.875 0.030 1 92 8 15 TRP HA H 4.658 0.030 1 93 8 15 TRP HB2 H 3.658 0.030 1 94 8 15 TRP HB3 H 2.767 0.030 1 95 8 15 TRP HD1 H 7.401 0.030 1 96 8 15 TRP HE1 H 10.860 0.030 1 97 8 15 TRP HE3 H 7.284 0.030 1 98 8 15 TRP HZ2 H 7.633 0.030 1 99 8 15 TRP HZ3 H 6.736 0.030 1 100 8 15 TRP HH2 H 6.939 0.030 1 101 8 15 TRP C C 176.314 0.300 1 102 8 15 TRP CA C 53.372 0.300 1 103 8 15 TRP CB C 31.251 0.300 1 104 8 15 TRP CD1 C 128.675 0.300 1 105 8 15 TRP CE3 C 120.727 0.300 1 106 8 15 TRP CZ2 C 115.861 0.300 1 107 8 15 TRP CZ3 C 120.660 0.300 1 108 8 15 TRP CH2 C 125.373 0.300 1 109 8 15 TRP N N 106.534 0.300 1 110 8 15 TRP NE1 N 133.138 0.300 1 111 9 16 TYR H H 7.698 0.030 1 112 9 16 TYR HA H 5.421 0.030 1 113 9 16 TYR HB2 H 2.688 0.030 1 114 9 16 TYR HB3 H 2.895 0.030 1 115 9 16 TYR HD1 H 7.125 0.030 1 116 9 16 TYR HD2 H 7.125 0.030 1 117 9 16 TYR HE1 H 7.018 0.030 1 118 9 16 TYR HE2 H 7.018 0.030 1 119 9 16 TYR C C 174.865 0.300 1 120 9 16 TYR CA C 57.631 0.300 1 121 9 16 TYR CB C 37.581 0.300 1 122 9 16 TYR CD1 C 132.929 0.300 1 123 9 16 TYR CD2 C 132.929 0.300 1 124 9 16 TYR CE1 C 119.185 0.300 1 125 9 16 TYR CE2 C 119.185 0.300 1 126 9 16 TYR N N 123.710 0.300 1 127 10 17 HIS H H 9.333 0.030 1 128 10 17 HIS HA H 4.425 0.030 1 129 10 17 HIS HB2 H 2.674 0.030 1 130 10 17 HIS HB3 H 3.453 0.030 1 131 10 17 HIS HD2 H 7.077 0.030 1 132 10 17 HIS HE1 H 7.350 0.030 1 133 10 17 HIS C C 174.794 0.300 1 134 10 17 HIS CA C 56.080 0.300 1 135 10 17 HIS CB C 33.239 0.300 1 136 10 17 HIS CD2 C 116.810 0.300 1 137 10 17 HIS CE1 C 136.964 0.300 1 138 10 17 HIS N N 128.420 0.300 1 139 11 18 GLY H H 5.637 0.030 1 140 11 18 GLY HA2 H 3.463 0.030 1 141 11 18 GLY HA3 H 3.977 0.030 1 142 11 18 GLY C C 173.828 0.300 1 143 11 18 GLY CA C 46.167 0.300 1 144 11 18 GLY N N 105.769 0.300 1 145 12 19 PRO HA H 4.738 0.030 1 146 12 19 PRO HB2 H 2.038 0.030 2 147 12 19 PRO HB3 H 2.322 0.030 2 148 12 19 PRO HG2 H 1.930 0.030 2 149 12 19 PRO HG3 H 2.081 0.030 2 150 12 19 PRO HD2 H 3.602 0.030 2 151 12 19 PRO HD3 H 3.784 0.030 2 152 12 19 PRO C C 175.545 0.300 1 153 12 19 PRO CA C 63.499 0.300 1 154 12 19 PRO CB C 29.444 0.300 1 155 12 19 PRO CG C 26.913 0.300 1 156 12 19 PRO CD C 50.444 0.300 1 157 13 20 LEU H H 7.778 0.030 1 158 13 20 LEU HA H 4.378 0.030 1 159 13 20 LEU HB2 H 1.549 0.030 1 160 13 20 LEU HB3 H 1.512 0.030 1 161 13 20 LEU HG H 1.854 0.030 1 162 13 20 LEU HD1 H 1.066 0.030 1 163 13 20 LEU HD2 H 0.801 0.030 1 164 13 20 LEU C C 176.635 0.300 1 165 13 20 LEU CA C 55.108 0.300 1 166 13 20 LEU CB C 44.521 0.300 1 167 13 20 LEU CG C 26.605 0.300 1 168 13 20 LEU CD1 C 25.053 0.300 1 169 13 20 LEU CD2 C 26.650 0.300 1 170 13 20 LEU N N 126.678 0.300 1 171 14 21 SER H H 9.427 0.030 1 172 14 21 SER HA H 4.382 0.030 1 173 14 21 SER HB2 H 4.134 0.030 2 174 14 21 SER HB3 H 4.382 0.030 2 175 14 21 SER C C 174.364 0.300 1 176 14 21 SER CA C 57.816 0.300 1 177 14 21 SER CB C 65.381 0.300 1 178 14 21 SER N N 123.692 0.300 1 179 15 22 ARG H H 8.907 0.030 1 180 15 22 ARG HA H 3.532 0.030 1 181 15 22 ARG HB2 H 1.769 0.030 1 182 15 22 ARG HB3 H 1.769 0.030 1 183 15 22 ARG HG2 H 0.845 0.030 2 184 15 22 ARG HG3 H 1.262 0.030 2 185 15 22 ARG HD2 H 2.955 0.030 1 186 15 22 ARG HD3 H 2.955 0.030 1 187 15 22 ARG C C 178.049 0.300 1 188 15 22 ARG CA C 60.572 0.300 1 189 15 22 ARG CB C 29.905 0.300 1 190 15 22 ARG CG C 27.497 0.300 1 191 15 22 ARG CD C 43.291 0.300 1 192 15 22 ARG N N 121.868 0.300 1 193 16 23 THR H H 8.125 0.030 1 194 16 23 THR HA H 3.936 0.030 1 195 16 23 THR HB H 4.025 0.030 1 196 16 23 THR HG2 H 1.243 0.030 1 197 16 23 THR C C 176.224 0.300 1 198 16 23 THR CA C 66.221 0.300 1 199 16 23 THR CB C 68.829 0.300 1 200 16 23 THR CG2 C 21.860 0.300 1 201 16 23 THR N N 112.712 0.300 1 202 17 24 ASP H H 7.907 0.030 1 203 17 24 ASP HA H 4.489 0.030 1 204 17 24 ASP HB2 H 2.664 0.030 2 205 17 24 ASP HB3 H 2.741 0.030 2 206 17 24 ASP C C 179.444 0.300 1 207 17 24 ASP CA C 57.633 0.300 1 208 17 24 ASP CB C 40.162 0.300 1 209 17 24 ASP N N 122.651 0.300 1 210 18 25 ALA H H 8.603 0.030 1 211 18 25 ALA HA H 3.874 0.030 1 212 18 25 ALA HB H 1.469 0.030 1 213 18 25 ALA C C 178.925 0.300 1 214 18 25 ALA CA C 55.559 0.300 1 215 18 25 ALA CB C 18.222 0.300 1 216 18 25 ALA N N 123.211 0.300 1 217 19 26 GLU H H 8.546 0.030 1 218 19 26 GLU HA H 3.971 0.030 1 219 19 26 GLU HB2 H 2.272 0.030 1 220 19 26 GLU HB3 H 2.147 0.030 1 221 19 26 GLU HG2 H 2.207 0.030 1 222 19 26 GLU HG3 H 2.845 0.030 1 223 19 26 GLU C C 177.977 0.300 1 224 19 26 GLU CA C 60.313 0.300 1 225 19 26 GLU CB C 28.606 0.300 1 226 19 26 GLU CG C 37.646 0.300 1 227 19 26 GLU N N 116.232 0.300 1 228 20 27 ASN H H 8.409 0.030 1 229 20 27 ASN HA H 4.469 0.030 1 230 20 27 ASN HB2 H 2.850 0.030 2 231 20 27 ASN HB3 H 2.961 0.030 2 232 20 27 ASN HD21 H 7.812 0.030 2 233 20 27 ASN HD22 H 6.896 0.030 2 234 20 27 ASN C C 178.174 0.300 1 235 20 27 ASN CA C 55.855 0.300 1 236 20 27 ASN CB C 38.189 0.300 1 237 20 27 ASN N N 116.085 0.300 1 238 20 27 ASN ND2 N 112.704 0.300 1 239 21 28 SER H H 7.902 0.030 1 240 21 28 SER HA H 4.317 0.030 1 241 21 28 SER HB2 H 3.793 0.030 1 242 21 28 SER HB3 H 3.793 0.030 1 243 21 28 SER C C 175.008 0.300 1 244 21 28 SER CA C 61.630 0.300 1 245 21 28 SER CB C 63.641 0.300 1 246 21 28 SER N N 113.665 0.300 1 247 22 29 LEU H H 7.626 0.030 1 248 22 29 LEU HA H 4.120 0.030 1 249 22 29 LEU HB2 H 1.801 0.030 1 250 22 29 LEU HB3 H 1.187 0.030 1 251 22 29 LEU HG H 1.546 0.030 1 252 22 29 LEU HD1 H 0.629 0.030 1 253 22 29 LEU HD2 H 0.579 0.030 1 254 22 29 LEU C C 178.156 0.300 1 255 22 29 LEU CA C 55.902 0.300 1 256 22 29 LEU CB C 44.328 0.300 1 257 22 29 LEU CG C 27.044 0.300 1 258 22 29 LEU CD1 C 23.612 0.300 1 259 22 29 LEU CD2 C 27.004 0.300 1 260 22 29 LEU N N 118.503 0.300 1 261 23 30 LEU H H 7.807 0.030 1 262 23 30 LEU HA H 3.891 0.030 1 263 23 30 LEU HB2 H 1.602 0.030 2 264 23 30 LEU HB3 H 1.769 0.030 2 265 23 30 LEU HG H 1.643 0.030 1 266 23 30 LEU HD1 H 0.934 0.030 1 267 23 30 LEU HD2 H 0.934 0.030 1 268 23 30 LEU C C 177.869 0.300 1 269 23 30 LEU CA C 57.934 0.300 1 270 23 30 LEU CB C 42.149 0.300 1 271 23 30 LEU CG C 27.098 0.300 1 272 23 30 LEU CD1 C 24.302 0.300 1 273 23 30 LEU CD2 C 24.302 0.300 1 274 23 30 LEU N N 121.573 0.300 1 275 24 31 ARG H H 8.216 0.030 1 276 24 31 ARG HA H 4.204 0.030 1 277 24 31 ARG HB2 H 1.868 0.030 2 278 24 31 ARG HB3 H 2.064 0.030 2 279 24 31 ARG HG2 H 1.588 0.030 1 280 24 31 ARG HG3 H 1.588 0.030 1 281 24 31 ARG HD2 H 3.175 0.030 2 282 24 31 ARG HD3 H 3.238 0.030 2 283 24 31 ARG C C 176.475 0.300 1 284 24 31 ARG CA C 56.232 0.300 1 285 24 31 ARG CB C 28.940 0.300 1 286 24 31 ARG CG C 27.875 0.300 1 287 24 31 ARG CD C 43.272 0.300 1 288 24 31 ARG N N 114.707 0.300 1 289 25 32 MET H H 7.678 0.030 1 290 25 32 MET HA H 5.088 0.030 1 291 25 32 MET HB2 H 2.102 0.030 2 292 25 32 MET HB3 H 2.189 0.030 2 293 25 32 MET HG2 H 2.601 0.030 2 294 25 32 MET HG3 H 2.795 0.030 2 295 25 32 MET HE H 2.166 0.030 1 296 25 32 MET C C 174.972 0.300 1 297 25 32 MET CA C 52.530 0.300 1 298 25 32 MET CB C 30.359 0.300 1 299 25 32 MET CG C 33.800 0.300 1 300 25 32 MET CE C 17.983 0.300 1 301 25 32 MET N N 118.634 0.300 1 302 26 33 PRO HA H 4.403 0.030 1 303 26 33 PRO HB2 H 1.755 0.030 1 304 26 33 PRO HB3 H 2.422 0.030 1 305 26 33 PRO HG2 H 2.068 0.030 1 306 26 33 PRO HG3 H 2.068 0.030 1 307 26 33 PRO HD2 H 3.603 0.030 1 308 26 33 PRO HD3 H 3.979 0.030 1 309 26 33 PRO C C 176.653 0.300 1 310 26 33 PRO CA C 62.857 0.300 1 311 26 33 PRO CB C 32.526 0.300 1 312 26 33 PRO CG C 27.728 0.300 1 313 26 33 PRO CD C 50.759 0.300 1 314 27 34 GLU H H 8.834 0.030 1 315 27 34 GLU HA H 4.090 0.030 1 316 27 34 GLU HB2 H 2.030 0.030 2 317 27 34 GLU HB3 H 2.155 0.030 2 318 27 34 GLU HG2 H 2.460 0.030 1 319 27 34 GLU HG3 H 2.460 0.030 1 320 27 34 GLU C C 177.369 0.300 1 321 27 34 GLU CA C 57.989 0.300 1 322 27 34 GLU CB C 30.024 0.300 1 323 27 34 GLU CG C 36.971 0.300 1 324 27 34 GLU N N 125.661 0.300 1 325 28 35 GLY H H 9.682 0.030 1 326 28 35 GLY HA2 H 3.793 0.030 1 327 28 35 GLY HA3 H 4.448 0.030 1 328 28 35 GLY C C 175.938 0.300 1 329 28 35 GLY CA C 45.113 0.300 1 330 28 35 GLY N N 113.477 0.300 1 331 29 36 THR H H 8.151 0.030 1 332 29 36 THR HA H 5.700 0.030 1 333 29 36 THR HB H 3.965 0.030 1 334 29 36 THR HG1 H 6.551 0.030 1 335 29 36 THR HG2 H 1.226 0.030 1 336 29 36 THR C C 174.203 0.300 1 337 29 36 THR CA C 63.846 0.300 1 338 29 36 THR CB C 68.368 0.300 1 339 29 36 THR CG2 C 21.887 0.300 1 340 29 36 THR N N 122.155 0.300 1 341 30 37 PHE H H 8.195 0.030 1 342 30 37 PHE HA H 5.975 0.030 1 343 30 37 PHE HB2 H 3.123 0.030 1 344 30 37 PHE HB3 H 2.872 0.030 1 345 30 37 PHE HD1 H 6.648 0.030 1 346 30 37 PHE HD2 H 7.563 0.030 1 347 30 37 PHE HE1 H 6.764 0.030 1 348 30 37 PHE HE2 H 6.541 0.030 1 349 30 37 PHE HZ H 6.929 0.030 1 350 30 37 PHE C C 171.681 0.300 1 351 30 37 PHE CA C 55.833 0.300 1 352 30 37 PHE CB C 44.924 0.300 1 353 30 37 PHE CZ C 129.225 0.300 1 354 30 37 PHE N N 122.249 0.300 1 355 31 38 LEU H H 9.304 0.030 1 356 31 38 LEU HA H 4.930 0.030 1 357 31 38 LEU HB2 H 1.620 0.030 1 358 31 38 LEU HB3 H 1.497 0.030 1 359 31 38 LEU HG H 1.772 0.030 1 360 31 38 LEU HD1 H 0.786 0.030 1 361 31 38 LEU HD2 H 0.417 0.030 1 362 31 38 LEU C C 174.060 0.300 1 363 31 38 LEU CA C 54.316 0.300 1 364 31 38 LEU CB C 45.002 0.300 1 365 31 38 LEU CG C 25.272 0.300 1 366 31 38 LEU CD1 C 25.873 0.300 1 367 31 38 LEU CD2 C 28.380 0.300 1 368 31 38 LEU N N 114.936 0.300 1 369 32 39 VAL H H 9.523 0.030 1 370 32 39 VAL HA H 5.504 0.030 1 371 32 39 VAL HB H 2.500 0.030 1 372 32 39 VAL HG1 H 1.254 0.030 1 373 32 39 VAL HG2 H 1.033 0.030 1 374 32 39 VAL C C 173.470 0.300 1 375 32 39 VAL CA C 61.336 0.300 1 376 32 39 VAL CB C 34.551 0.300 1 377 32 39 VAL CG1 C 22.901 0.300 1 378 32 39 VAL CG2 C 23.854 0.300 1 379 32 39 VAL N N 120.262 0.300 1 380 33 40 ARG H H 9.710 0.030 1 381 33 40 ARG HA H 5.646 0.030 1 382 33 40 ARG HB2 H 2.466 0.030 2 383 33 40 ARG HB3 H 1.369 0.030 2 384 33 40 ARG HG2 H 1.669 0.030 2 385 33 40 ARG HG3 H 1.805 0.030 2 386 33 40 ARG HD2 H 3.497 0.030 2 387 33 40 ARG HD3 H 2.502 0.030 2 388 33 40 ARG HE H 7.137 0.030 1 389 33 40 ARG C C 174.793 0.300 1 390 33 40 ARG CA C 52.084 0.300 1 391 33 40 ARG CB C 34.682 0.300 1 392 33 40 ARG CG C 26.333 0.300 1 393 33 40 ARG CD C 44.115 0.300 1 394 33 40 ARG N N 124.606 0.300 1 395 33 40 ARG NE N 83.740 0.300 1 396 34 41 ASP H H 8.647 0.030 1 397 34 41 ASP HA H 4.755 0.030 1 398 34 41 ASP HB2 H 2.748 0.030 1 399 34 41 ASP HB3 H 2.300 0.030 1 400 34 41 ASP C C 176.457 0.300 1 401 34 41 ASP CA C 55.406 0.300 1 402 34 41 ASP CB C 40.923 0.300 1 403 34 41 ASP N N 122.814 0.300 1 404 35 42 SER H H 8.012 0.030 1 405 35 42 SER HA H 4.362 0.030 1 406 35 42 SER HB2 H 3.801 0.030 2 407 35 42 SER HB3 H 3.506 0.030 2 408 35 42 SER C C 176.475 0.300 1 409 35 42 SER CA C 57.877 0.300 1 410 35 42 SER CB C 63.170 0.300 1 411 35 42 SER N N 114.649 0.300 1 412 36 43 THR HA H 4.292 0.030 1 413 36 43 THR HB H 4.345 0.030 1 414 36 43 THR HG2 H 1.229 0.030 1 415 36 43 THR CA C 63.235 0.300 1 416 36 43 THR CB C 68.998 0.300 1 417 36 43 THR CG2 C 22.069 0.300 1 418 37 44 SER HA H 4.470 0.030 1 419 37 44 SER HB2 H 3.810 0.030 1 420 37 44 SER HB3 H 3.810 0.030 1 421 37 44 SER C C 174.686 0.300 1 422 37 44 SER CA C 59.203 0.300 1 423 37 44 SER CB C 63.831 0.300 1 424 38 45 SER H H 7.619 0.030 1 425 38 45 SER HA H 4.820 0.030 1 426 38 45 SER HB2 H 3.510 0.030 2 427 38 45 SER HB3 H 3.952 0.030 2 428 38 45 SER C C 170.537 0.300 1 429 38 45 SER CA C 54.427 0.300 1 430 38 45 SER CB C 63.020 0.300 1 431 38 45 SER N N 117.812 0.300 1 432 39 46 PRO HA H 4.270 0.030 1 433 39 46 PRO HB2 H 1.892 0.030 1 434 39 46 PRO HB3 H 2.288 0.030 1 435 39 46 PRO HG2 H 2.108 0.030 1 436 39 46 PRO HG3 H 1.919 0.030 1 437 39 46 PRO HD2 H 3.650 0.030 1 438 39 46 PRO HD3 H 3.516 0.030 1 439 39 46 PRO C C 177.655 0.300 1 440 39 46 PRO CA C 64.187 0.300 1 441 39 46 PRO CB C 31.625 0.300 1 442 39 46 PRO CG C 27.565 0.300 1 443 39 46 PRO CD C 50.468 0.300 1 444 40 47 GLY H H 8.781 0.030 1 445 40 47 GLY HA2 H 3.506 0.030 1 446 40 47 GLY HA3 H 4.321 0.030 1 447 40 47 GLY C C 172.254 0.300 1 448 40 47 GLY CA C 45.010 0.300 1 449 40 47 GLY N N 115.106 0.300 1 450 41 48 ASP H H 7.708 0.030 1 451 41 48 ASP HA H 5.163 0.030 1 452 41 48 ASP HB2 H 3.024 0.030 1 453 41 48 ASP HB3 H 3.024 0.030 1 454 41 48 ASP C C 176.332 0.300 1 455 41 48 ASP CA C 52.966 0.300 1 456 41 48 ASP CB C 42.084 0.300 1 457 41 48 ASP N N 117.309 0.300 1 458 42 49 TYR H H 8.984 0.030 1 459 42 49 TYR HA H 5.438 0.030 1 460 42 49 TYR HB2 H 2.808 0.030 1 461 42 49 TYR HB3 H 3.248 0.030 1 462 42 49 TYR HD1 H 7.044 0.030 1 463 42 49 TYR HD2 H 7.044 0.030 1 464 42 49 TYR HE1 H 6.838 0.030 1 465 42 49 TYR HE2 H 6.838 0.030 1 466 42 49 TYR C C 174.668 0.300 1 467 42 49 TYR CA C 56.995 0.300 1 468 42 49 TYR CB C 43.508 0.300 1 469 42 49 TYR CD1 C 133.475 0.300 1 470 42 49 TYR CD2 C 133.475 0.300 1 471 42 49 TYR CE1 C 118.875 0.300 1 472 42 49 TYR CE2 C 118.875 0.300 1 473 42 49 TYR N N 117.153 0.300 1 474 43 50 VAL H H 9.862 0.030 1 475 43 50 VAL HA H 4.881 0.030 1 476 43 50 VAL HB H 1.823 0.030 1 477 43 50 VAL HG1 H 1.085 0.030 1 478 43 50 VAL HG2 H 0.910 0.030 1 479 43 50 VAL C C 174.060 0.300 1 480 43 50 VAL CA C 61.814 0.300 1 481 43 50 VAL CB C 35.539 0.300 1 482 43 50 VAL CG1 C 22.682 0.300 1 483 43 50 VAL CG2 C 21.496 0.300 1 484 43 50 VAL N N 122.183 0.300 1 485 44 51 LEU H H 9.488 0.030 1 486 44 51 LEU HA H 5.269 0.030 1 487 44 51 LEU HB2 H 1.346 0.030 1 488 44 51 LEU HB3 H 2.093 0.030 1 489 44 51 LEU HG H 1.552 0.030 1 490 44 51 LEU HD1 H 0.725 0.030 1 491 44 51 LEU HD2 H 0.444 0.030 1 492 44 51 LEU C C 174.990 0.300 1 493 44 51 LEU CA C 53.578 0.300 1 494 44 51 LEU CB C 45.164 0.300 1 495 44 51 LEU CG C 27.652 0.300 1 496 44 51 LEU CD1 C 24.727 0.300 1 497 44 51 LEU CD2 C 25.913 0.300 1 498 44 51 LEU N N 130.637 0.300 1 499 45 52 SER H H 9.425 0.030 1 500 45 52 SER HA H 6.014 0.030 1 501 45 52 SER HB2 H 3.376 0.030 1 502 45 52 SER HB3 H 3.641 0.030 1 503 45 52 SER HG H 7.733 0.030 1 504 45 52 SER C C 172.987 0.300 1 505 45 52 SER CA C 58.485 0.300 1 506 45 52 SER CB C 65.709 0.300 1 507 45 52 SER N N 125.802 0.300 1 508 46 53 CYS H H 9.013 0.030 1 509 46 53 CYS HA H 5.434 0.030 1 510 46 53 CYS HB2 H 2.771 0.030 2 511 46 53 CYS HB3 H 2.865 0.030 2 512 46 53 CYS C C 172.969 0.300 1 513 46 53 CYS CA C 56.436 0.300 1 514 46 53 CYS CB C 31.472 0.300 1 515 46 53 CYS N N 121.287 0.300 1 516 47 54 SER H H 8.657 0.030 1 517 47 54 SER HA H 4.979 0.030 1 518 47 54 SER HB2 H 4.119 0.030 1 519 47 54 SER HB3 H 3.912 0.030 1 520 47 54 SER HG H 4.494 0.030 1 521 47 54 SER C C 174.078 0.300 1 522 47 54 SER CA C 56.157 0.300 1 523 47 54 SER CB C 63.292 0.300 1 524 47 54 SER N N 117.863 0.300 1 525 48 55 GLU H H 8.717 0.030 1 526 48 55 GLU HA H 4.689 0.030 1 527 48 55 GLU HB2 H 1.983 0.030 2 528 48 55 GLU HB3 H 2.036 0.030 2 529 48 55 GLU HG2 H 2.184 0.030 2 530 48 55 GLU HG3 H 2.384 0.030 2 531 48 55 GLU C C 175.223 0.300 1 532 48 55 GLU CA C 56.700 0.300 1 533 48 55 GLU CB C 35.372 0.300 1 534 48 55 GLU CG C 39.525 0.300 1 535 48 55 GLU N N 129.358 0.300 1 536 49 56 ASN H H 10.147 0.030 1 537 49 56 ASN HA H 4.123 0.030 1 538 49 56 ASN HB2 H 1.165 0.030 2 539 49 56 ASN HB3 H 2.430 0.030 2 540 49 56 ASN HD21 H 6.809 0.030 2 541 49 56 ASN HD22 H 6.571 0.030 2 542 49 56 ASN C C 175.205 0.300 1 543 49 56 ASN CA C 53.777 0.300 1 544 49 56 ASN CB C 38.633 0.300 1 545 49 56 ASN N N 124.297 0.300 1 546 49 56 ASN ND2 N 110.361 0.300 1 547 50 57 GLY H H 8.928 0.030 1 548 50 57 GLY HA2 H 3.644 0.030 1 549 50 57 GLY HA3 H 3.987 0.030 1 550 50 57 GLY C C 173.506 0.300 1 551 50 57 GLY CA C 45.740 0.300 1 552 50 57 GLY N N 105.223 0.300 1 553 51 58 LYS H H 8.079 0.030 1 554 51 58 LYS HA H 4.685 0.030 1 555 51 58 LYS HB2 H 1.858 0.030 1 556 51 58 LYS HB3 H 1.858 0.030 1 557 51 58 LYS HG2 H 1.237 0.030 2 558 51 58 LYS HG3 H 1.433 0.030 2 559 51 58 LYS HD2 H 1.641 0.030 1 560 51 58 LYS HD3 H 1.641 0.030 1 561 51 58 LYS HE2 H 2.892 0.030 2 562 51 58 LYS HE3 H 2.927 0.030 2 563 51 58 LYS C C 174.203 0.300 1 564 51 58 LYS CA C 54.040 0.300 1 565 51 58 LYS CB C 35.099 0.300 1 566 51 58 LYS CG C 23.689 0.300 1 567 51 58 LYS CD C 29.448 0.300 1 568 51 58 LYS CE C 42.383 0.300 1 569 51 58 LYS N N 120.655 0.300 1 570 52 59 VAL H H 8.155 0.030 1 571 52 59 VAL HA H 5.197 0.030 1 572 52 59 VAL HB H 1.847 0.030 1 573 52 59 VAL HG1 H 0.607 0.030 1 574 52 59 VAL HG2 H 0.948 0.030 1 575 52 59 VAL C C 175.115 0.300 1 576 52 59 VAL CA C 61.067 0.300 1 577 52 59 VAL CB C 32.934 0.300 1 578 52 59 VAL CG1 C 22.102 0.300 1 579 52 59 VAL CG2 C 22.094 0.300 1 580 52 59 VAL N N 120.313 0.300 1 581 53 60 THR H H 9.274 0.030 1 582 53 60 THR HA H 4.262 0.030 1 583 53 60 THR HB H 3.893 0.030 1 584 53 60 THR HG2 H 1.115 0.030 1 585 53 60 THR C C 172.755 0.300 1 586 53 60 THR CA C 59.406 0.300 1 587 53 60 THR CB C 70.056 0.300 1 588 53 60 THR CG2 C 23.756 0.300 1 589 53 60 THR N N 121.688 0.300 1 590 54 61 HIS H H 7.714 0.030 1 591 54 61 HIS HA H 5.576 0.030 1 592 54 61 HIS HB2 H 2.707 0.030 1 593 54 61 HIS HB3 H 2.611 0.030 1 594 54 61 HIS HD2 H 7.039 0.030 1 595 54 61 HIS HE1 H 7.235 0.030 1 596 54 61 HIS C C 175.438 0.300 1 597 54 61 HIS CA C 54.544 0.300 1 598 54 61 HIS CB C 33.687 0.300 1 599 54 61 HIS CD2 C 120.869 0.300 1 600 54 61 HIS CE1 C 137.261 0.300 1 601 54 61 HIS N N 116.151 0.300 1 602 55 62 TYR H H 9.904 0.030 1 603 55 62 TYR HA H 4.750 0.030 1 604 55 62 TYR HB2 H 2.826 0.030 1 605 55 62 TYR HB3 H 2.826 0.030 1 606 55 62 TYR HD1 H 7.043 0.030 1 607 55 62 TYR HD2 H 7.043 0.030 1 608 55 62 TYR HE1 H 6.846 0.030 1 609 55 62 TYR HE2 H 6.846 0.030 1 610 55 62 TYR C C 175.026 0.300 1 611 55 62 TYR CA C 56.863 0.300 1 612 55 62 TYR CB C 40.812 0.300 1 613 55 62 TYR CD1 C 133.197 0.300 1 614 55 62 TYR CD2 C 133.197 0.300 1 615 55 62 TYR CE1 C 118.586 0.300 1 616 55 62 TYR CE2 C 118.586 0.300 1 617 55 62 TYR N N 124.153 0.300 1 618 56 63 LYS H H 8.856 0.030 1 619 56 63 LYS HA H 4.443 0.030 1 620 56 63 LYS HB2 H 1.897 0.030 1 621 56 63 LYS HB3 H 1.897 0.030 1 622 56 63 LYS HG2 H 1.463 0.030 2 623 56 63 LYS HG3 H 1.645 0.030 2 624 56 63 LYS HD2 H 1.753 0.030 1 625 56 63 LYS HD3 H 1.753 0.030 1 626 56 63 LYS HE2 H 3.014 0.030 1 627 56 63 LYS HE3 H 3.014 0.030 1 628 56 63 LYS C C 175.545 0.300 1 629 56 63 LYS CA C 58.205 0.300 1 630 56 63 LYS CB C 33.165 0.300 1 631 56 63 LYS CG C 25.549 0.300 1 632 56 63 LYS CD C 29.525 0.300 1 633 56 63 LYS CE C 42.156 0.300 1 634 56 63 LYS N N 124.297 0.300 1 635 57 64 LEU H H 8.623 0.030 1 636 57 64 LEU HA H 4.985 0.030 1 637 57 64 LEU HB2 H 1.836 0.030 1 638 57 64 LEU HB3 H 1.385 0.030 1 639 57 64 LEU HG H 1.667 0.030 1 640 57 64 LEU HD1 H 0.808 0.030 1 641 57 64 LEU HD2 H 0.679 0.030 1 642 57 64 LEU C C 175.580 0.300 1 643 57 64 LEU CA C 53.978 0.300 1 644 57 64 LEU CB C 42.937 0.300 1 645 57 64 LEU CG C 27.178 0.300 1 646 57 64 LEU CD1 C 27.138 0.300 1 647 57 64 LEU CD2 C 25.546 0.300 1 648 57 64 LEU N N 126.848 0.300 1 649 58 65 SER H H 8.785 0.030 1 650 58 65 SER HA H 4.726 0.030 1 651 58 65 SER HB2 H 3.819 0.030 2 652 58 65 SER HB3 H 3.886 0.030 2 653 58 65 SER C C 173.452 0.300 1 654 58 65 SER CA C 57.462 0.300 1 655 58 65 SER CB C 64.626 0.300 1 656 58 65 SER N N 118.111 0.300 1 657 59 66 ALA H H 8.929 0.030 1 658 59 66 ALA HA H 4.989 0.030 1 659 59 66 ALA HB H 1.497 0.030 1 660 59 66 ALA C C 177.869 0.300 1 661 59 66 ALA CA C 52.019 0.300 1 662 59 66 ALA CB C 19.112 0.300 1 663 59 66 ALA N N 128.946 0.300 1 664 60 67 GLU H H 8.486 0.030 1 665 60 67 GLU HA H 4.493 0.030 1 666 60 67 GLU HB2 H 1.804 0.030 1 667 60 67 GLU HB3 H 1.804 0.030 1 668 60 67 GLU HG2 H 2.005 0.030 2 669 60 67 GLU HG3 H 2.170 0.030 2 670 60 67 GLU C C 175.140 0.300 1 671 60 67 GLU CA C 55.774 0.300 1 672 60 67 GLU CB C 32.005 0.300 1 673 60 67 GLU CG C 36.115 0.300 1 674 60 67 GLU N N 125.411 0.300 1 675 61 68 GLU H H 9.297 0.030 1 676 61 68 GLU HA H 3.899 0.030 1 677 61 68 GLU HB2 H 2.025 0.030 2 678 61 68 GLU HB3 H 2.255 0.030 2 679 61 68 GLU HG2 H 2.225 0.030 2 680 61 68 GLU HG3 H 2.292 0.030 2 681 61 68 GLU C C 176.081 0.300 1 682 61 68 GLU CA C 57.086 0.300 1 683 61 68 GLU CB C 28.069 0.300 1 684 61 68 GLU CG C 36.713 0.300 1 685 61 68 GLU N N 125.075 0.300 1 686 62 69 GLY H H 8.572 0.030 1 687 62 69 GLY HA2 H 3.727 0.030 1 688 62 69 GLY HA3 H 4.238 0.030 1 689 62 69 GLY C C 173.703 0.300 1 690 62 69 GLY CA C 45.727 0.300 1 691 62 69 GLY N N 106.062 0.300 1 692 63 70 LYS H H 7.874 0.030 1 693 63 70 LYS HA H 4.739 0.030 1 694 63 70 LYS HB2 H 1.850 0.030 2 695 63 70 LYS HB3 H 2.002 0.030 2 696 63 70 LYS HG2 H 1.469 0.030 1 697 63 70 LYS HG3 H 1.469 0.030 1 698 63 70 LYS HD2 H 1.606 0.030 2 699 63 70 LYS HD3 H 1.651 0.030 2 700 63 70 LYS HE2 H 3.011 0.030 1 701 63 70 LYS HE3 H 3.011 0.030 1 702 63 70 LYS C C 175.777 0.300 1 703 63 70 LYS CA C 54.860 0.300 1 704 63 70 LYS CB C 35.051 0.300 1 705 63 70 LYS CG C 26.248 0.300 1 706 63 70 LYS CD C 29.290 0.300 1 707 63 70 LYS CE C 42.508 0.300 1 708 63 70 LYS N N 120.739 0.300 1 709 64 71 ILE H H 8.863 0.030 1 710 64 71 ILE HA H 4.999 0.030 1 711 64 71 ILE HB H 1.743 0.030 1 712 64 71 ILE HG12 H 1.407 0.030 1 713 64 71 ILE HG13 H 1.026 0.030 1 714 64 71 ILE HG2 H 0.781 0.030 1 715 64 71 ILE HD1 H 0.825 0.030 1 716 64 71 ILE C C 173.971 0.300 1 717 64 71 ILE CA C 57.448 0.300 1 718 64 71 ILE CB C 39.470 0.300 1 719 64 71 ILE CG1 C 26.184 0.300 1 720 64 71 ILE CG2 C 18.258 0.300 1 721 64 71 ILE CD1 C 9.492 0.300 1 722 64 71 ILE N N 121.119 0.300 1 723 65 72 ARG H H 9.777 0.030 1 724 65 72 ARG HA H 5.413 0.030 1 725 65 72 ARG HB2 H 1.582 0.030 2 726 65 72 ARG HB3 H 1.844 0.030 2 727 65 72 ARG HG2 H 1.475 0.030 1 728 65 72 ARG HG3 H 1.475 0.030 1 729 65 72 ARG HD2 H 3.080 0.030 2 730 65 72 ARG HD3 H 3.232 0.030 2 731 65 72 ARG HE H 8.181 0.030 1 732 65 72 ARG C C 176.010 0.300 1 733 65 72 ARG CA C 54.126 0.300 1 734 65 72 ARG CB C 32.423 0.300 1 735 65 72 ARG CG C 26.967 0.300 1 736 65 72 ARG CD C 42.383 0.300 1 737 65 72 ARG N N 129.837 0.300 1 738 65 72 ARG NE N 84.564 0.300 1 739 66 73 ILE H H 8.390 0.030 1 740 66 73 ILE HA H 4.626 0.030 1 741 66 73 ILE HB H 2.235 0.030 1 742 66 73 ILE HG12 H 1.192 0.030 1 743 66 73 ILE HG13 H 1.777 0.030 1 744 66 73 ILE HG2 H 1.230 0.030 1 745 66 73 ILE HD1 H 0.692 0.030 1 746 66 73 ILE C C 174.239 0.300 1 747 66 73 ILE CA C 60.451 0.300 1 748 66 73 ILE CB C 39.288 0.300 1 749 66 73 ILE CG1 C 28.024 0.300 1 750 66 73 ILE CG2 C 15.961 0.300 1 751 66 73 ILE CD1 C 13.839 0.300 1 752 66 73 ILE N N 124.160 0.300 1 753 67 74 ASP H H 9.336 0.030 1 754 67 74 ASP HA H 4.221 0.030 1 755 67 74 ASP HB2 H 2.876 0.030 2 756 67 74 ASP HB3 H 3.146 0.030 2 757 67 74 ASP C C 176.063 0.300 1 758 67 74 ASP CA C 56.622 0.300 1 759 67 74 ASP CB C 40.284 0.300 1 760 67 74 ASP N N 127.946 0.300 1 761 68 75 THR H H 7.666 0.030 1 762 68 75 THR HA H 4.143 0.030 1 763 68 75 THR HB H 4.310 0.030 1 764 68 75 THR HG2 H 1.090 0.030 1 765 68 75 THR C C 174.114 0.300 1 766 68 75 THR CA C 61.907 0.300 1 767 68 75 THR CB C 68.969 0.300 1 768 68 75 THR CG2 C 21.509 0.300 1 769 68 75 THR N N 112.070 0.300 1 770 69 76 HIS H H 8.485 0.030 1 771 69 76 HIS HA H 4.294 0.030 1 772 69 76 HIS HB2 H 2.902 0.030 1 773 69 76 HIS HB3 H 1.879 0.030 1 774 69 76 HIS HD2 H 7.089 0.030 1 775 69 76 HIS HE1 H 8.075 0.030 1 776 69 76 HIS C C 172.737 0.300 1 777 69 76 HIS CA C 55.416 0.300 1 778 69 76 HIS CB C 32.512 0.300 1 779 69 76 HIS CD2 C 120.391 0.300 1 780 69 76 HIS CE1 C 137.230 0.300 1 781 69 76 HIS N N 122.021 0.300 1 782 70 77 LEU H H 7.859 0.030 1 783 70 77 LEU HA H 4.876 0.030 1 784 70 77 LEU HB2 H 1.186 0.030 2 785 70 77 LEU HB3 H 1.394 0.030 2 786 70 77 LEU HG H 1.265 0.030 1 787 70 77 LEU HD1 H 0.754 0.030 2 788 70 77 LEU HD2 H 0.808 0.030 2 789 70 77 LEU C C 175.813 0.300 1 790 70 77 LEU CA C 53.384 0.300 1 791 70 77 LEU CB C 44.667 0.300 1 792 70 77 LEU CG C 26.878 0.300 1 793 70 77 LEU CD1 C 24.623 0.300 2 794 70 77 LEU CD2 C 27.091 0.300 2 795 70 77 LEU N N 122.897 0.300 1 796 71 78 PHE H H 9.587 0.030 1 797 71 78 PHE HA H 4.828 0.030 1 798 71 78 PHE HB2 H 2.653 0.030 1 799 71 78 PHE HB3 H 3.221 0.030 1 800 71 78 PHE HD1 H 7.052 0.030 1 801 71 78 PHE HD2 H 7.052 0.030 1 802 71 78 PHE HE1 H 6.751 0.030 1 803 71 78 PHE HE2 H 6.751 0.030 1 804 71 78 PHE HZ H 5.505 0.030 1 805 71 78 PHE C C 176.457 0.300 1 806 71 78 PHE CA C 56.763 0.300 1 807 71 78 PHE CB C 43.272 0.300 1 808 71 78 PHE CD1 C 131.357 0.300 1 809 71 78 PHE CD2 C 131.357 0.300 1 810 71 78 PHE CE1 C 131.328 0.300 1 811 71 78 PHE CE2 C 131.328 0.300 1 812 71 78 PHE CZ C 128.859 0.300 1 813 71 78 PHE N N 123.371 0.300 1 814 72 79 ASP H H 9.285 0.030 1 815 72 79 ASP HA H 4.364 0.030 1 816 72 79 ASP HB2 H 2.452 0.030 2 817 72 79 ASP HB3 H 2.773 0.030 2 818 72 79 ASP C C 175.419 0.300 1 819 72 79 ASP CA C 57.520 0.300 1 820 72 79 ASP CB C 41.668 0.300 1 821 72 79 ASP N N 119.562 0.300 1 822 73 80 ASN H H 7.322 0.030 1 823 73 80 ASN HA H 4.616 0.030 1 824 73 80 ASN HB2 H 3.209 0.030 2 825 73 80 ASN HB3 H 3.412 0.030 2 826 73 80 ASN HD21 H 7.674 0.030 2 827 73 80 ASN HD22 H 6.900 0.030 2 828 73 80 ASN C C 174.740 0.300 1 829 73 80 ASN CA C 51.616 0.300 1 830 73 80 ASN CB C 39.525 0.300 1 831 73 80 ASN N N 106.508 0.300 1 832 73 80 ASN ND2 N 114.768 0.300 1 833 74 81 LEU H H 8.846 0.030 1 834 74 81 LEU HA H 3.773 0.030 1 835 74 81 LEU HB2 H 1.657 0.030 1 836 74 81 LEU HB3 H 1.427 0.030 1 837 74 81 LEU HG H 1.466 0.030 1 838 74 81 LEU HD1 H 0.331 0.030 1 839 74 81 LEU HD2 H 0.422 0.030 1 840 74 81 LEU C C 177.548 0.300 1 841 74 81 LEU CA C 58.311 0.300 1 842 74 81 LEU CB C 42.894 0.300 1 843 74 81 LEU CG C 26.876 0.300 1 844 74 81 LEU CD1 C 24.235 0.300 1 845 74 81 LEU CD2 C 24.488 0.300 1 846 74 81 LEU N N 119.870 0.300 1 847 75 82 ASP H H 8.433 0.030 1 848 75 82 ASP HA H 4.284 0.030 1 849 75 82 ASP HB2 H 2.647 0.030 2 850 75 82 ASP HB3 H 2.732 0.030 2 851 75 82 ASP C C 178.532 0.300 1 852 75 82 ASP CA C 58.078 0.300 1 853 75 82 ASP CB C 41.190 0.300 1 854 75 82 ASP N N 118.228 0.300 1 855 76 83 ALA H H 8.315 0.030 1 856 76 83 ALA HA H 4.063 0.030 1 857 76 83 ALA HB H 1.649 0.030 1 858 76 83 ALA C C 179.712 0.300 1 859 76 83 ALA CA C 54.804 0.300 1 860 76 83 ALA CB C 18.735 0.300 1 861 76 83 ALA N N 120.971 0.300 1 862 77 84 ALA H H 7.133 0.030 1 863 77 84 ALA HA H 2.099 0.030 1 864 77 84 ALA HB H 0.950 0.030 1 865 77 84 ALA C C 177.476 0.300 1 866 77 84 ALA CA C 53.971 0.300 1 867 77 84 ALA CB C 18.106 0.300 1 868 77 84 ALA N N 122.142 0.300 1 869 78 85 ILE H H 7.668 0.030 1 870 78 85 ILE HA H 3.143 0.030 1 871 78 85 ILE HB H 1.559 0.030 1 872 78 85 ILE HG12 H 0.745 0.030 1 873 78 85 ILE HG13 H -0.184 0.030 1 874 78 85 ILE HG2 H 0.128 0.030 1 875 78 85 ILE HD1 H -0.133 0.030 1 876 78 85 ILE C C 177.727 0.300 1 877 78 85 ILE CA C 62.248 0.300 1 878 78 85 ILE CB C 35.352 0.300 1 879 78 85 ILE CG1 C 26.917 0.300 1 880 78 85 ILE CG2 C 17.913 0.300 1 881 78 85 ILE CD1 C 9.474 0.300 1 882 78 85 ILE N N 117.124 0.300 1 883 79 86 THR H H 8.148 0.030 1 884 79 86 THR HA H 3.756 0.030 1 885 79 86 THR HB H 4.103 0.030 1 886 79 86 THR HG2 H 1.226 0.030 1 887 79 86 THR C C 177.369 0.300 1 888 79 86 THR CA C 67.174 0.300 1 889 79 86 THR CB C 68.777 0.300 1 890 79 86 THR CG2 C 21.831 0.300 1 891 79 86 THR N N 114.527 0.300 1 892 80 87 PHE H H 7.588 0.030 1 893 80 87 PHE HA H 4.125 0.030 1 894 80 87 PHE HB2 H 2.794 0.030 2 895 80 87 PHE HB3 H 2.598 0.030 2 896 80 87 PHE HE1 H 6.562 0.030 1 897 80 87 PHE HE2 H 6.562 0.030 1 898 80 87 PHE HZ H 6.383 0.030 1 899 80 87 PHE C C 179.587 0.300 1 900 80 87 PHE CA C 62.330 0.300 1 901 80 87 PHE CB C 39.774 0.300 1 902 80 87 PHE CE1 C 130.799 0.300 1 903 80 87 PHE CE2 C 130.799 0.300 1 904 80 87 PHE CZ C 128.727 0.300 1 905 80 87 PHE N N 122.091 0.300 1 906 81 88 TYR H H 7.741 0.030 1 907 81 88 TYR HA H 4.796 0.030 1 908 81 88 TYR HB2 H 2.294 0.030 1 909 81 88 TYR HB3 H 3.233 0.030 1 910 81 88 TYR HD1 H 6.992 0.030 1 911 81 88 TYR HD2 H 6.992 0.030 1 912 81 88 TYR HE1 H 6.652 0.030 1 913 81 88 TYR HE2 H 6.652 0.030 1 914 81 88 TYR C C 174.686 0.300 1 915 81 88 TYR CA C 62.052 0.300 1 916 81 88 TYR CB C 36.555 0.300 1 917 81 88 TYR CD1 C 132.945 0.300 1 918 81 88 TYR CD2 C 132.945 0.300 1 919 81 88 TYR CE1 C 118.174 0.300 1 920 81 88 TYR CE2 C 118.174 0.300 1 921 81 88 TYR N N 118.739 0.300 1 922 82 89 MET H H 7.617 0.030 1 923 82 89 MET HA H 4.763 0.030 1 924 82 89 MET HB2 H 2.169 0.030 2 925 82 89 MET HB3 H 2.430 0.030 2 926 82 89 MET HG2 H 2.731 0.030 2 927 82 89 MET HG3 H 2.425 0.030 2 928 82 89 MET HE H 2.069 0.030 1 929 82 89 MET C C 177.577 0.300 1 930 82 89 MET CA C 57.420 0.300 1 931 82 89 MET CB C 32.492 0.300 1 932 82 89 MET CG C 32.482 0.300 1 933 82 89 MET CE C 16.722 0.300 1 934 82 89 MET N N 117.835 0.300 1 935 83 90 GLU H H 7.136 0.030 1 936 83 90 GLU HA H 4.333 0.030 1 937 83 90 GLU HB2 H 1.591 0.030 2 938 83 90 GLU HB3 H 1.743 0.030 2 939 83 90 GLU HG2 H 1.856 0.030 2 940 83 90 GLU HG3 H 2.055 0.030 2 941 83 90 GLU C C 174.436 0.300 1 942 83 90 GLU CA C 55.570 0.300 1 943 83 90 GLU CB C 31.508 0.300 1 944 83 90 GLU CG C 35.914 0.300 1 945 83 90 GLU N N 115.665 0.300 1 946 84 91 HIS H H 7.355 0.030 1 947 84 91 HIS HA H 4.389 0.030 1 948 84 91 HIS HB2 H 1.930 0.030 2 949 84 91 HIS HB3 H 3.054 0.030 2 950 84 91 HIS HD2 H 6.721 0.030 1 951 84 91 HIS HE1 H 8.150 0.030 1 952 84 91 HIS C C 172.308 0.300 1 953 84 91 HIS CA C 55.094 0.300 1 954 84 91 HIS CB C 30.609 0.300 1 955 84 91 HIS CD2 C 120.297 0.300 1 956 84 91 HIS CE1 C 135.654 0.300 1 957 84 91 HIS N N 117.703 0.300 1 958 85 92 GLU H H 8.391 0.030 1 959 85 92 GLU HA H 3.705 0.030 1 960 85 92 GLU HB2 H 1.815 0.030 1 961 85 92 GLU HB3 H 1.636 0.030 1 962 85 92 GLU HG2 H 2.175 0.030 2 963 85 92 GLU HG3 H 2.239 0.030 2 964 85 92 GLU C C 177.512 0.300 1 965 85 92 GLU CA C 57.702 0.300 1 966 85 92 GLU CB C 30.184 0.300 1 967 85 92 GLU CG C 36.699 0.300 1 968 85 92 GLU N N 117.931 0.300 1 969 86 93 LEU H H 7.299 0.030 1 970 86 93 LEU HA H 4.164 0.030 1 971 86 93 LEU HB2 H 1.819 0.030 1 972 86 93 LEU HB3 H 1.242 0.030 1 973 86 93 LEU HG H 1.081 0.030 1 974 86 93 LEU HD1 H 0.277 0.030 1 975 86 93 LEU HD2 H -0.777 0.030 1 976 86 93 LEU C C 175.759 0.300 1 977 86 93 LEU CA C 55.210 0.300 1 978 86 93 LEU CB C 38.592 0.300 1 979 86 93 LEU CG C 27.051 0.300 1 980 86 93 LEU CD1 C 26.126 0.300 1 981 86 93 LEU CD2 C 21.543 0.300 1 982 86 93 LEU N N 123.635 0.300 1 983 87 94 GLU H H 8.246 0.030 1 984 87 94 GLU HA H 3.914 0.030 1 985 87 94 GLU HB2 H 2.099 0.030 2 986 87 94 GLU HB3 H 1.735 0.030 2 987 87 94 GLU HG2 H 1.586 0.030 2 988 87 94 GLU HG3 H 2.039 0.030 2 989 87 94 GLU C C 176.779 0.300 1 990 87 94 GLU CA C 59.865 0.300 1 991 87 94 GLU CB C 30.366 0.300 1 992 87 94 GLU CG C 36.192 0.300 1 993 87 94 GLU N N 121.391 0.300 1 994 88 95 TYR H H 9.124 0.030 1 995 88 95 TYR HA H 4.588 0.030 1 996 88 95 TYR HB2 H 2.768 0.030 1 997 88 95 TYR HB3 H 3.182 0.030 1 998 88 95 TYR HD1 H 7.039 0.030 1 999 88 95 TYR HD2 H 7.039 0.030 1 1000 88 95 TYR HE1 H 6.738 0.030 1 1001 88 95 TYR HE2 H 6.738 0.030 1 1002 88 95 TYR C C 175.991 0.300 1 1003 88 95 TYR CA C 58.686 0.300 1 1004 88 95 TYR CB C 41.001 0.300 1 1005 88 95 TYR CD1 C 133.410 0.300 1 1006 88 95 TYR CD2 C 133.410 0.300 1 1007 88 95 TYR CE1 C 118.454 0.300 1 1008 88 95 TYR CE2 C 118.454 0.300 1 1009 88 95 TYR N N 113.766 0.300 1 1010 89 96 SER H H 8.963 0.030 1 1011 89 96 SER HA H 4.880 0.030 1 1012 89 96 SER HB2 H 3.658 0.030 2 1013 89 96 SER HB3 H 3.766 0.030 2 1014 89 96 SER C C 174.704 0.300 1 1015 89 96 SER CA C 56.748 0.300 1 1016 89 96 SER CB C 65.817 0.300 1 1017 89 96 SER N N 113.598 0.300 1 1018 90 97 SER H H 8.327 0.030 1 1019 90 97 SER HA H 4.911 0.030 1 1020 90 97 SER HB2 H 3.402 0.030 2 1021 90 97 SER HB3 H 3.874 0.030 2 1022 90 97 SER C C 174.901 0.300 1 1023 90 97 SER CA C 58.218 0.300 1 1024 90 97 SER CB C 64.878 0.300 1 1025 90 97 SER N N 118.921 0.300 1 1026 91 98 LEU H H 8.838 0.030 1 1027 91 98 LEU HA H 4.038 0.030 1 1028 91 98 LEU HB2 H 1.135 0.030 1 1029 91 98 LEU HB3 H 0.488 0.030 1 1030 91 98 LEU HG H 1.253 0.030 1 1031 91 98 LEU HD1 H -0.155 0.030 1 1032 91 98 LEU HD2 H 0.269 0.030 1 1033 91 98 LEU C C 177.083 0.300 1 1034 91 98 LEU CA C 55.074 0.300 1 1035 91 98 LEU CB C 40.549 0.300 1 1036 91 98 LEU CG C 25.361 0.300 1 1037 91 98 LEU CD1 C 25.416 0.300 1 1038 91 98 LEU CD2 C 22.457 0.300 1 1039 91 98 LEU N N 119.193 0.300 1 1040 92 99 LYS H H 9.100 0.030 1 1041 92 99 LYS HA H 4.631 0.030 1 1042 92 99 LYS HB2 H 1.754 0.030 1 1043 92 99 LYS HB3 H 1.922 0.030 1 1044 92 99 LYS HG2 H 1.355 0.030 2 1045 92 99 LYS HG3 H 1.528 0.030 2 1046 92 99 LYS HD2 H 1.706 0.030 1 1047 92 99 LYS HD3 H 1.706 0.030 1 1048 92 99 LYS HE2 H 2.930 0.030 1 1049 92 99 LYS HE3 H 2.930 0.030 1 1050 92 99 LYS C C 176.135 0.300 1 1051 92 99 LYS CA C 56.916 0.300 1 1052 92 99 LYS CB C 34.817 0.300 1 1053 92 99 LYS CG C 25.164 0.300 1 1054 92 99 LYS CD C 28.628 0.300 1 1055 92 99 LYS CE C 42.383 0.300 1 1056 92 99 LYS N N 120.489 0.300 1 1057 93 100 GLN H H 7.608 0.030 1 1058 93 100 GLN HA H 5.067 0.030 1 1059 93 100 GLN HB2 H 2.008 0.030 2 1060 93 100 GLN HB3 H 2.223 0.030 2 1061 93 100 GLN HG2 H 2.359 0.030 1 1062 93 100 GLN HG3 H 2.359 0.030 1 1063 93 100 GLN HE21 H 7.470 0.030 2 1064 93 100 GLN HE22 H 6.767 0.030 2 1065 93 100 GLN C C 171.789 0.300 1 1066 93 100 GLN CA C 53.016 0.300 1 1067 93 100 GLN CB C 30.428 0.300 1 1068 93 100 GLN CG C 32.802 0.300 1 1069 93 100 GLN N N 115.772 0.300 1 1070 93 100 GLN NE2 N 111.404 0.300 1 1071 94 101 PRO HA H 3.768 0.030 1 1072 94 101 PRO HB2 H 1.700 0.030 1 1073 94 101 PRO HB3 H 1.647 0.030 1 1074 94 101 PRO HG2 H 2.165 0.030 1 1075 94 101 PRO HG3 H 2.053 0.030 1 1076 94 101 PRO HD2 H 3.870 0.030 1 1077 94 101 PRO HD3 H 3.870 0.030 1 1078 94 101 PRO C C 177.047 0.300 1 1079 94 101 PRO CA C 61.287 0.300 1 1080 94 101 PRO CB C 31.944 0.300 1 1081 94 101 PRO CG C 27.133 0.300 1 1082 94 101 PRO CD C 50.697 0.300 1 1083 95 102 LEU H H 8.485 0.030 1 1084 95 102 LEU HA H 4.190 0.030 1 1085 95 102 LEU HB2 H 0.973 0.030 1 1086 95 102 LEU HB3 H 1.535 0.030 1 1087 95 102 LEU HG H 1.621 0.030 1 1088 95 102 LEU HD1 H 0.947 0.030 1 1089 95 102 LEU HD2 H 0.673 0.030 1 1090 95 102 LEU C C 175.849 0.300 1 1091 95 102 LEU CA C 55.053 0.300 1 1092 95 102 LEU CB C 42.157 0.300 1 1093 95 102 LEU CG C 27.045 0.300 1 1094 95 102 LEU CD1 C 24.270 0.300 1 1095 95 102 LEU CD2 C 26.620 0.300 1 1096 95 102 LEU N N 125.368 0.300 1 1097 96 103 GLN H H 8.551 0.030 1 1098 96 103 GLN HA H 4.321 0.030 1 1099 96 103 GLN HB2 H 2.028 0.030 2 1100 96 103 GLN HB3 H 2.102 0.030 2 1101 96 103 GLN HG2 H 2.368 0.030 2 1102 96 103 GLN HG3 H 2.414 0.030 2 1103 96 103 GLN HE21 H 7.745 0.030 2 1104 96 103 GLN HE22 H 6.855 0.030 2 1105 96 103 GLN C C 175.330 0.300 1 1106 96 103 GLN CA C 56.256 0.300 1 1107 96 103 GLN CB C 29.530 0.300 1 1108 96 103 GLN CG C 33.886 0.300 1 1109 96 103 GLN N N 128.144 0.300 1 1110 96 103 GLN NE2 N 112.920 0.300 1 1111 97 104 ARG H H 8.297 0.030 1 1112 97 104 ARG HA H 3.865 0.030 1 1113 97 104 ARG HB2 H 1.413 0.030 2 1114 97 104 ARG HB3 H 1.467 0.030 2 1115 97 104 ARG HG2 H 1.264 0.030 2 1116 97 104 ARG HG3 H 1.338 0.030 2 1117 97 104 ARG HD2 H 2.969 0.030 1 1118 97 104 ARG HD3 H 2.969 0.030 1 1119 97 104 ARG C C 181.196 0.300 1 1120 97 104 ARG CA C 58.165 0.300 1 1121 97 104 ARG CB C 31.046 0.300 1 1122 97 104 ARG CG C 27.200 0.300 1 1123 97 104 ARG CD C 43.633 0.300 1 1124 97 104 ARG N N 129.682 0.300 1 stop_ save_