data_17588 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RXLR effector P. capsici AVR3a4 ; _BMRB_accession_number 17588 _BMRB_flat_file_name bmr17588.str _Entry_type original _Submission_date 2011-04-12 _Accession_date 2011-04-12 _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 Li Hua . . 2 Koshiba Seizo . . 3 Yaeno Takashi . . 4 Sato Manami . . 5 Watanabe Satoru . . 6 Harada Takushi . . 7 Shirasu Ken . . 8 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" 611 "13C chemical shifts" 458 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-09 original author . stop_ _Original_release_date 2012-05-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Phosphatidylinositol monophosphate-binding interface in the oomycete RXLR effector AVR3a is required for its stability in host cells to modulate plant immunity.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21821794 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yaeno Takashi . . 2 Li Hua . . 3 Chaparro-Garcia Angela . . 4 Schornack Sebastian . . 5 Koshiba Seizo . . 6 Watanabe Satoru . . 7 Kigawa Takanori . . 8 Kamoun Sophien . . 9 Shirasu Ken . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 108 _Journal_issue 35 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14682 _Page_last 14687 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AVR3a4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AVR3a4 $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 AVR3a4 _Molecular_mass 12039.568 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; GSSGSSGNVDSNQNKASMLQ ARLNDEAGGTRLLRVHHESD TEERGFLEKAAVKKMAKAIM ADPNKADEVYKKWADKGYTL TQMSNFLKSKTAGKYDRVYN GYVIHLDY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 SER 3 -2 SER 4 -1 GLY 5 0 SER 6 1 SER 7 2 GLY 8 3 ASN 9 4 VAL 10 5 ASP 11 6 SER 12 7 ASN 13 8 GLN 14 9 ASN 15 10 LYS 16 11 ALA 17 12 SER 18 13 MET 19 14 LEU 20 15 GLN 21 16 ALA 22 17 ARG 23 18 LEU 24 19 ASN 25 20 ASP 26 21 GLU 27 22 ALA 28 23 GLY 29 24 GLY 30 25 THR 31 26 ARG 32 27 LEU 33 28 LEU 34 29 ARG 35 30 VAL 36 31 HIS 37 32 HIS 38 33 GLU 39 34 SER 40 35 ASP 41 36 THR 42 37 GLU 43 38 GLU 44 39 ARG 45 40 GLY 46 41 PHE 47 42 LEU 48 43 GLU 49 44 LYS 50 45 ALA 51 46 ALA 52 47 VAL 53 48 LYS 54 49 LYS 55 50 MET 56 51 ALA 57 52 LYS 58 53 ALA 59 54 ILE 60 55 MET 61 56 ALA 62 57 ASP 63 58 PRO 64 59 ASN 65 60 LYS 66 61 ALA 67 62 ASP 68 63 GLU 69 64 VAL 70 65 TYR 71 66 LYS 72 67 LYS 73 68 TRP 74 69 ALA 75 70 ASP 76 71 LYS 77 72 GLY 78 73 TYR 79 74 THR 80 75 LEU 81 76 THR 82 77 GLN 83 78 MET 84 79 SER 85 80 ASN 86 81 PHE 87 82 LEU 88 83 LYS 89 84 SER 90 85 LYS 91 86 THR 92 87 ALA 93 88 GLY 94 89 LYS 95 90 TYR 96 91 ASP 97 92 ARG 98 93 VAL 99 94 TYR 100 95 ASN 101 96 GLY 102 97 TYR 103 98 VAL 104 99 ILE 105 100 HIS 106 101 LEU 107 102 ASP 108 103 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2LC2 "Solution Structure Of The Rxlr Effector P. Capsici Avr3a4" 99.07 108 100.00 100.00 8.72e-72 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 'Phytophthora capsici' 4784 Eukaryota . Phytophthora capsici 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' . E. "coli - cell free" . . 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 1.11 mM '[U-100% 13C; U-100% 15N]' TRIS 20 mM '[U-100% 2H]' 'sodium chloride' 300 mM 'natural abundance' DTT 1 mM '[U-100% 2H]' 'sodium azide' 0.02 % 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' 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 20090801 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 5.0.4 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, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _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' 320 . 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 64.851 internal indirect . . . 0.251449530 water H 1 protons ppm 4.784 internal direct . . . 1.0 water N 15 protons ppm 117.597 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 AVR3a4 _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 1 6 SER HA H 4.480 0.030 1 2 1 6 SER HB2 H 3.888 0.030 1 3 1 6 SER HB3 H 3.888 0.030 1 4 1 6 SER C C 174.995 0.300 1 5 1 6 SER CA C 58.675 0.300 1 6 1 6 SER CB C 63.822 0.300 1 7 2 7 GLY H H 8.394 0.030 1 8 2 7 GLY HA2 H 3.973 0.030 1 9 2 7 GLY HA3 H 3.973 0.030 1 10 2 7 GLY C C 173.853 0.300 1 11 2 7 GLY CA C 45.347 0.300 1 12 2 7 GLY N N 110.458 0.300 1 13 3 8 ASN H H 8.308 0.030 1 14 3 8 ASN HA H 4.757 0.030 1 15 3 8 ASN HB2 H 2.766 0.030 1 16 3 8 ASN HB3 H 2.766 0.030 1 17 3 8 ASN HD21 H 6.943 0.030 2 18 3 8 ASN HD22 H 7.585 0.030 2 19 3 8 ASN C C 175.389 0.300 1 20 3 8 ASN CA C 53.231 0.300 1 21 3 8 ASN CB C 38.959 0.300 1 22 3 8 ASN N N 119.020 0.300 1 23 3 8 ASN ND2 N 113.102 0.300 1 24 4 9 VAL H H 8.173 0.030 1 25 4 9 VAL HA H 4.115 0.030 1 26 4 9 VAL HB H 2.090 0.030 1 27 4 9 VAL HG1 H 0.912 0.030 1 28 4 9 VAL HG2 H 0.912 0.030 1 29 4 9 VAL C C 175.980 0.300 1 30 4 9 VAL CA C 62.468 0.300 1 31 4 9 VAL CB C 32.712 0.300 1 32 4 9 VAL CG1 C 21.164 0.300 2 33 4 9 VAL CG2 C 20.306 0.300 2 34 4 9 VAL N N 120.281 0.300 1 35 5 10 ASP H H 8.418 0.030 1 36 5 10 ASP HA H 4.624 0.030 1 37 5 10 ASP HB2 H 2.732 0.030 2 38 5 10 ASP HB3 H 2.634 0.030 2 39 5 10 ASP C C 176.599 0.300 1 40 5 10 ASP CA C 54.390 0.300 1 41 5 10 ASP CB C 41.343 0.300 1 42 5 10 ASP N N 123.840 0.300 1 43 6 11 SER H H 8.312 0.030 1 44 6 11 SER HA H 4.395 0.030 1 45 6 11 SER HB2 H 3.912 0.030 1 46 6 11 SER HB3 H 3.912 0.030 1 47 6 11 SER C C 174.834 0.300 1 48 6 11 SER CA C 58.886 0.300 1 49 6 11 SER CB C 63.740 0.300 1 50 6 11 SER N N 117.003 0.300 1 51 7 12 ASN H H 8.511 0.030 1 52 7 12 ASN HA H 4.685 0.030 1 53 7 12 ASN HB2 H 2.826 0.030 1 54 7 12 ASN HB3 H 2.826 0.030 1 55 7 12 ASN HD21 H 6.947 0.030 2 56 7 12 ASN HD22 H 7.686 0.030 2 57 7 12 ASN C C 175.646 0.300 1 58 7 12 ASN CA C 53.793 0.300 1 59 7 12 ASN CB C 38.630 0.300 1 60 7 12 ASN N N 120.512 0.300 1 61 7 12 ASN ND2 N 113.394 0.300 1 62 8 13 GLN H H 8.258 0.030 1 63 8 13 GLN HA H 4.238 0.030 1 64 8 13 GLN HB2 H 1.987 0.030 1 65 8 13 GLN HB3 H 1.987 0.030 1 66 8 13 GLN HG2 H 2.378 0.030 1 67 8 13 GLN HG3 H 2.378 0.030 1 68 8 13 GLN HE21 H 6.881 0.030 2 69 8 13 GLN HE22 H 7.530 0.030 2 70 8 13 GLN C C 175.988 0.300 1 71 8 13 GLN CA C 56.447 0.300 1 72 8 13 GLN CB C 29.137 0.300 1 73 8 13 GLN CG C 33.822 0.300 1 74 8 13 GLN N N 120.057 0.300 1 75 8 13 GLN NE2 N 112.669 0.300 1 76 9 14 ASN H H 8.377 0.030 1 77 9 14 ASN HA H 4.685 0.030 1 78 9 14 ASN HB2 H 2.839 0.030 1 79 9 14 ASN HB3 H 2.839 0.030 1 80 9 14 ASN HD21 H 6.944 0.030 2 81 9 14 ASN HD22 H 7.631 0.030 2 82 9 14 ASN C C 175.552 0.300 1 83 9 14 ASN CA C 53.565 0.300 1 84 9 14 ASN CB C 38.763 0.300 1 85 9 14 ASN N N 119.323 0.300 1 86 9 14 ASN ND2 N 113.089 0.300 1 87 10 15 LYS H H 8.224 0.030 1 88 10 15 LYS HA H 4.214 0.030 1 89 10 15 LYS HB2 H 1.860 0.030 1 90 10 15 LYS HB3 H 1.860 0.030 1 91 10 15 LYS C C 176.933 0.300 1 92 10 15 LYS CA C 57.235 0.300 1 93 10 15 LYS CB C 32.753 0.300 1 94 10 15 LYS CG C 24.781 0.300 1 95 10 15 LYS CD C 29.301 0.300 1 96 10 15 LYS CE C 42.123 0.300 1 97 10 15 LYS N N 121.938 0.300 1 98 11 16 ALA H H 8.292 0.030 1 99 11 16 ALA HA H 4.274 0.030 1 100 11 16 ALA HB H 1.420 0.030 1 101 11 16 ALA C C 178.593 0.300 1 102 11 16 ALA CA C 53.442 0.300 1 103 11 16 ALA CB C 18.863 0.300 1 104 11 16 ALA N N 123.956 0.300 1 105 12 17 SER H H 8.200 0.030 1 106 12 17 SER HA H 4.365 0.030 1 107 12 17 SER HB2 H 3.929 0.030 2 108 12 17 SER HB3 H 3.877 0.030 2 109 12 17 SER C C 175.370 0.300 1 110 12 17 SER CA C 59.077 0.300 1 111 12 17 SER CB C 63.383 0.300 1 112 12 17 SER N N 114.462 0.300 1 113 13 18 MET H H 8.214 0.030 1 114 13 18 MET HA H 4.429 0.030 1 115 13 18 MET HB2 H 2.125 0.030 2 116 13 18 MET HB3 H 2.055 0.030 2 117 13 18 MET HG2 H 2.632 0.030 2 118 13 18 MET HG3 H 2.524 0.030 2 119 13 18 MET HE H 2.077 0.030 1 120 13 18 MET C C 176.829 0.300 1 121 13 18 MET CA C 56.357 0.300 1 122 13 18 MET CB C 32.630 0.300 1 123 13 18 MET CG C 32.089 0.300 1 124 13 18 MET CE C 17.046 0.300 1 125 13 18 MET N N 121.999 0.300 1 126 14 19 LEU H H 8.076 0.030 1 127 14 19 LEU HA H 4.256 0.030 1 128 14 19 LEU HB2 H 1.678 0.030 1 129 14 19 LEU HB3 H 1.678 0.030 1 130 14 19 LEU HG H 1.609 0.030 1 131 14 19 LEU HD1 H 0.903 0.030 2 132 14 19 LEU HD2 H 0.869 0.030 2 133 14 19 LEU C C 177.774 0.300 1 134 14 19 LEU CA C 56.111 0.300 1 135 14 19 LEU CB C 42.041 0.300 1 136 14 19 LEU CG C 27.082 0.300 1 137 14 19 LEU CD1 C 24.832 0.300 2 138 14 19 LEU CD2 C 23.657 0.300 2 139 14 19 LEU N N 122.083 0.300 1 140 15 20 GLN H H 8.174 0.030 1 141 15 20 GLN HA H 4.207 0.030 1 142 15 20 GLN HB2 H 2.096 0.030 2 143 15 20 GLN HB3 H 2.023 0.030 2 144 15 20 GLN HG2 H 2.381 0.030 1 145 15 20 GLN HG3 H 2.381 0.030 1 146 15 20 GLN HE21 H 6.881 0.030 2 147 15 20 GLN HE22 H 7.530 0.030 2 148 15 20 GLN C C 176.166 0.300 1 149 15 20 GLN CA C 56.409 0.300 1 150 15 20 GLN CB C 29.196 0.300 1 151 15 20 GLN CG C 33.904 0.300 1 152 15 20 GLN N N 120.123 0.300 1 153 15 20 GLN NE2 N 112.669 0.300 1 154 16 21 ALA H H 8.151 0.030 1 155 16 21 ALA HA H 4.254 0.030 1 156 16 21 ALA HB H 1.402 0.030 1 157 16 21 ALA C C 178.034 0.300 1 158 16 21 ALA CA C 53.126 0.300 1 159 16 21 ALA CB C 19.071 0.300 1 160 16 21 ALA N N 124.216 0.300 1 161 17 22 ARG H H 8.147 0.030 1 162 17 22 ARG HA H 4.308 0.030 1 163 17 22 ARG HB2 H 1.800 0.030 2 164 17 22 ARG HB3 H 1.867 0.030 2 165 17 22 ARG HG2 H 1.639 0.030 1 166 17 22 ARG HG3 H 1.639 0.030 1 167 17 22 ARG HD2 H 3.188 0.030 1 168 17 22 ARG HD3 H 3.188 0.030 1 169 17 22 ARG C C 176.750 0.300 1 170 17 22 ARG CA C 56.427 0.300 1 171 17 22 ARG CB C 30.616 0.300 1 172 17 22 ARG CG C 27.082 0.300 1 173 17 22 ARG CD C 43.662 0.300 1 174 17 22 ARG N N 119.591 0.300 1 175 18 23 LEU H H 8.220 0.030 1 176 18 23 LEU HA H 4.274 0.030 1 177 18 23 LEU HB2 H 1.676 0.030 2 178 18 23 LEU HB3 H 1.566 0.030 2 179 18 23 LEU HG H 1.637 0.030 1 180 18 23 LEU HD1 H 0.908 0.030 2 181 18 23 LEU HD2 H 0.862 0.030 2 182 18 23 LEU C C 177.547 0.300 1 183 18 23 LEU CA C 55.690 0.300 1 184 18 23 LEU CB C 42.082 0.300 1 185 18 23 LEU CG C 27.018 0.300 1 186 18 23 LEU CD1 C 25.027 0.300 2 187 18 23 LEU CD2 C 23.675 0.300 2 188 18 23 LEU N N 122.553 0.300 1 189 19 24 ASN H H 8.351 0.030 1 190 19 24 ASN HA H 4.673 0.030 1 191 19 24 ASN HB2 H 2.783 0.030 2 192 19 24 ASN HB3 H 2.845 0.030 2 193 19 24 ASN HD21 H 6.944 0.030 2 194 19 24 ASN HD22 H 7.631 0.030 2 195 19 24 ASN C C 175.246 0.300 1 196 19 24 ASN CA C 53.565 0.300 1 197 19 24 ASN CB C 38.836 0.300 1 198 19 24 ASN N N 118.666 0.300 1 199 19 24 ASN ND2 N 113.030 0.300 1 200 20 25 ASP H H 8.234 0.030 1 201 20 25 ASP HA H 4.576 0.030 1 202 20 25 ASP HB2 H 2.676 0.030 1 203 20 25 ASP HB3 H 2.676 0.030 1 204 20 25 ASP C C 176.732 0.300 1 205 20 25 ASP CA C 54.706 0.300 1 206 20 25 ASP CB C 41.219 0.300 1 207 20 25 ASP N N 120.897 0.300 1 208 21 26 GLU H H 8.368 0.030 1 209 21 26 GLU HA H 4.214 0.030 1 210 21 26 GLU HB2 H 1.977 0.030 2 211 21 26 GLU HB3 H 2.077 0.030 2 212 21 26 GLU HG2 H 2.267 0.030 1 213 21 26 GLU HG3 H 2.267 0.030 1 214 21 26 GLU C C 176.857 0.300 1 215 21 26 GLU CA C 57.247 0.300 1 216 21 26 GLU CB C 29.959 0.300 1 217 21 26 GLU CG C 36.333 0.300 1 218 21 26 GLU N N 121.168 0.300 1 219 22 27 ALA H H 8.289 0.030 1 220 22 27 ALA HA H 4.317 0.030 1 221 22 27 ALA HB H 1.402 0.030 1 222 22 27 ALA C C 178.520 0.300 1 223 22 27 ALA CA C 52.986 0.300 1 224 22 27 ALA CB C 18.945 0.300 1 225 22 27 ALA N N 124.100 0.300 1 226 23 28 GLY H H 8.315 0.030 1 227 23 28 GLY HA2 H 3.972 0.030 1 228 23 28 GLY HA3 H 3.972 0.030 1 229 23 28 GLY C C 175.019 0.300 1 230 23 28 GLY CA C 45.628 0.300 1 231 23 28 GLY N N 107.844 0.300 1 232 24 29 GLY H H 8.266 0.030 1 233 24 29 GLY HA2 H 4.013 0.030 1 234 24 29 GLY HA3 H 4.013 0.030 1 235 24 29 GLY C C 174.659 0.300 1 236 24 29 GLY CA C 45.487 0.300 1 237 24 29 GLY N N 108.754 0.300 1 238 25 30 THR H H 8.111 0.030 1 239 25 30 THR HA H 4.301 0.030 1 240 25 30 THR HB H 4.248 0.030 1 241 25 30 THR HG2 H 1.187 0.030 1 242 25 30 THR C C 174.789 0.300 1 243 25 30 THR CA C 62.327 0.300 1 244 25 30 THR CB C 69.553 0.300 1 245 25 30 THR CG2 C 21.657 0.300 1 246 25 30 THR N N 114.068 0.300 1 247 26 31 ARG H H 8.343 0.030 1 248 26 31 ARG HA H 4.299 0.030 1 249 26 31 ARG HB2 H 1.788 0.030 1 250 26 31 ARG HB3 H 1.788 0.030 1 251 26 31 ARG HG2 H 1.606 0.030 1 252 26 31 ARG HG3 H 1.606 0.030 1 253 26 31 ARG HD2 H 3.183 0.030 1 254 26 31 ARG HD3 H 3.183 0.030 1 255 26 31 ARG C C 176.125 0.300 1 256 26 31 ARG CA C 56.462 0.300 1 257 26 31 ARG CB C 30.657 0.300 1 258 26 31 ARG CG C 27.082 0.300 1 259 26 31 ARG CD C 43.274 0.300 1 260 26 31 ARG N N 123.536 0.300 1 261 27 32 LEU H H 8.203 0.030 1 262 27 32 LEU HA H 4.319 0.030 1 263 27 32 LEU HB2 H 1.553 0.030 1 264 27 32 LEU HB3 H 1.553 0.030 1 265 27 32 LEU HG H 1.584 0.030 1 266 27 32 LEU HD1 H 0.905 0.030 2 267 27 32 LEU HD2 H 0.844 0.030 2 268 27 32 LEU C C 177.036 0.300 1 269 27 32 LEU CA C 55.233 0.300 1 270 27 32 LEU CB C 42.264 0.300 1 271 27 32 LEU CG C 27.082 0.300 1 272 27 32 LEU CD1 C 24.781 0.300 2 273 27 32 LEU CD2 C 23.551 0.300 2 274 27 32 LEU N N 122.865 0.300 1 275 28 33 LEU H H 8.150 0.030 1 276 28 33 LEU HA H 4.336 0.030 1 277 28 33 LEU HB2 H 1.623 0.030 1 278 28 33 LEU HB3 H 1.623 0.030 1 279 28 33 LEU HG H 1.585 0.030 1 280 28 33 LEU HD1 H 0.905 0.030 2 281 28 33 LEU HD2 H 0.845 0.030 2 282 28 33 LEU C C 177.022 0.300 1 283 28 33 LEU CA C 55.069 0.300 1 284 28 33 LEU CB C 42.288 0.300 1 285 28 33 LEU CG C 27.146 0.300 1 286 28 33 LEU CD1 C 24.973 0.300 2 287 28 33 LEU CD2 C 23.694 0.300 2 288 28 33 LEU N N 123.054 0.300 1 289 29 34 ARG H H 8.248 0.030 1 290 29 34 ARG HA H 4.337 0.030 1 291 29 34 ARG HB2 H 1.728 0.030 2 292 29 34 ARG HB3 H 1.782 0.030 2 293 29 34 ARG HG2 H 1.532 0.030 1 294 29 34 ARG HG3 H 1.532 0.030 1 295 29 34 ARG HD2 H 3.156 0.030 1 296 29 34 ARG HD3 H 3.156 0.030 1 297 29 34 ARG C C 175.950 0.300 1 298 29 34 ARG CA C 55.918 0.300 1 299 29 34 ARG CB C 30.781 0.300 1 300 29 34 ARG CG C 27.082 0.300 1 301 29 34 ARG CD C 43.274 0.300 1 302 29 34 ARG N N 122.226 0.300 1 303 30 35 VAL H H 8.107 0.030 1 304 30 35 VAL HA H 4.041 0.030 1 305 30 35 VAL HB H 1.958 0.030 1 306 30 35 VAL HG1 H 0.779 0.030 2 307 30 35 VAL HG2 H 0.850 0.030 2 308 30 35 VAL C C 175.709 0.300 1 309 30 35 VAL CA C 62.240 0.300 1 310 30 35 VAL CB C 32.753 0.300 1 311 30 35 VAL CG1 C 21.029 0.300 2 312 30 35 VAL CG2 C 20.517 0.300 2 313 30 35 VAL N N 121.294 0.300 1 314 31 36 HIS H H 8.410 0.030 1 315 31 36 HIS HA H 4.598 0.030 1 316 31 36 HIS HB2 H 3.086 0.030 2 317 31 36 HIS HB3 H 3.022 0.030 2 318 31 36 HIS HD2 H 7.000 0.030 1 319 31 36 HIS HE1 H 7.904 0.030 1 320 31 36 HIS C C 174.825 0.300 1 321 31 36 HIS CA C 56.111 0.300 1 322 31 36 HIS CB C 30.944 0.300 1 323 31 36 HIS CD2 C 119.885 0.300 1 324 31 36 HIS CE1 C 138.100 0.300 1 325 31 36 HIS N N 123.522 0.300 1 326 32 37 HIS HA H 4.600 0.030 1 327 32 37 HIS HB2 H 3.055 0.030 1 328 32 37 HIS HB3 H 3.055 0.030 1 329 32 37 HIS HD2 H 7.020 0.030 1 330 32 37 HIS HE1 H 7.904 0.030 1 331 32 37 HIS C C 175.173 0.300 1 332 32 37 HIS CA C 56.217 0.300 1 333 32 37 HIS CB C 31.027 0.300 1 334 32 37 HIS CD2 C 119.967 0.300 1 335 32 37 HIS CE1 C 138.100 0.300 1 336 33 38 GLU H H 8.569 0.030 1 337 33 38 GLU HA H 4.255 0.030 1 338 33 38 GLU HB2 H 2.050 0.030 1 339 33 38 GLU HB3 H 2.050 0.030 1 340 33 38 GLU HG2 H 2.252 0.030 1 341 33 38 GLU HG3 H 2.252 0.030 1 342 33 38 GLU C C 176.483 0.300 1 343 33 38 GLU CA C 56.919 0.300 1 344 33 38 GLU CB C 30.328 0.300 1 345 33 38 GLU CG C 36.205 0.300 1 346 33 38 GLU N N 122.826 0.300 1 347 34 39 SER H H 8.444 0.030 1 348 34 39 SER HA H 4.454 0.030 1 349 34 39 SER HB2 H 3.888 0.030 1 350 34 39 SER HB3 H 3.888 0.030 1 351 34 39 SER C C 174.497 0.300 1 352 34 39 SER CA C 58.552 0.300 1 353 34 39 SER CB C 64.028 0.300 1 354 34 39 SER N N 116.398 0.300 1 355 35 40 ASP H H 8.469 0.030 1 356 35 40 ASP HA H 4.672 0.030 1 357 35 40 ASP HB2 H 2.729 0.030 1 358 35 40 ASP HB3 H 2.729 0.030 1 359 35 40 ASP C C 176.783 0.300 1 360 35 40 ASP CA C 54.759 0.300 1 361 35 40 ASP CB C 41.014 0.300 1 362 35 40 ASP N N 122.831 0.300 1 363 36 41 THR H H 8.066 0.030 1 364 36 41 THR HA H 4.181 0.030 1 365 36 41 THR HB H 4.251 0.030 1 366 36 41 THR HG2 H 1.184 0.030 1 367 36 41 THR C C 175.314 0.300 1 368 36 41 THR CA C 62.819 0.300 1 369 36 41 THR CB C 69.576 0.300 1 370 36 41 THR CG2 C 21.740 0.300 1 371 36 41 THR N N 113.679 0.300 1 372 37 42 GLU H H 8.343 0.030 1 373 37 42 GLU HA H 4.208 0.030 1 374 37 42 GLU HB2 H 1.977 0.030 2 375 37 42 GLU HB3 H 2.068 0.030 2 376 37 42 GLU HG2 H 2.232 0.030 1 377 37 42 GLU HG3 H 2.232 0.030 1 378 37 42 GLU C C 177.129 0.300 1 379 37 42 GLU CA C 57.322 0.300 1 380 37 42 GLU CB C 30.000 0.300 1 381 37 42 GLU CG C 36.452 0.300 1 382 37 42 GLU N N 122.776 0.300 1 383 38 43 GLU H H 8.397 0.030 1 384 38 43 GLU HA H 4.211 0.030 1 385 38 43 GLU HB2 H 2.042 0.030 1 386 38 43 GLU HB3 H 2.042 0.030 1 387 38 43 GLU HG2 H 2.276 0.030 1 388 38 43 GLU HG3 H 2.276 0.030 1 389 38 43 GLU C C 177.313 0.300 1 390 38 43 GLU CA C 57.453 0.300 1 391 38 43 GLU CB C 29.959 0.300 1 392 38 43 GLU CG C 36.288 0.300 1 393 38 43 GLU N N 121.898 0.300 1 394 39 44 ARG H H 8.401 0.030 1 395 39 44 ARG HA H 4.226 0.030 1 396 39 44 ARG HB2 H 1.876 0.030 1 397 39 44 ARG HB3 H 1.876 0.030 1 398 39 44 ARG HG2 H 1.649 0.030 2 399 39 44 ARG HG3 H 1.740 0.030 2 400 39 44 ARG HD2 H 3.220 0.030 1 401 39 44 ARG HD3 H 3.220 0.030 1 402 39 44 ARG C C 178.048 0.300 1 403 39 44 ARG CA C 57.779 0.300 1 404 39 44 ARG CB C 30.366 0.300 1 405 39 44 ARG CG C 27.270 0.300 1 406 39 44 ARG CD C 43.356 0.300 1 407 39 44 ARG N N 121.336 0.300 1 408 40 45 GLY H H 8.536 0.030 1 409 40 45 GLY HA2 H 4.021 0.030 1 410 40 45 GLY HA3 H 4.021 0.030 1 411 40 45 GLY C C 175.522 0.300 1 412 40 45 GLY CA C 46.400 0.300 1 413 40 45 GLY N N 109.098 0.300 1 414 41 46 PHE H H 8.071 0.030 1 415 41 46 PHE HA H 4.417 0.030 1 416 41 46 PHE HB2 H 3.243 0.030 1 417 41 46 PHE HB3 H 3.243 0.030 1 418 41 46 PHE HD1 H 7.268 0.030 1 419 41 46 PHE HD2 H 7.268 0.030 1 420 41 46 PHE HE1 H 7.373 0.030 1 421 41 46 PHE HE2 H 7.373 0.030 1 422 41 46 PHE HZ H 7.316 0.030 1 423 41 46 PHE C C 177.561 0.300 1 424 41 46 PHE CA C 60.080 0.300 1 425 41 46 PHE CB C 38.911 0.300 1 426 41 46 PHE CD1 C 131.814 0.300 1 427 41 46 PHE CD2 C 131.814 0.300 1 428 41 46 PHE CE1 C 131.640 0.300 1 429 41 46 PHE CE2 C 131.640 0.300 1 430 41 46 PHE CZ C 130.073 0.300 1 431 41 46 PHE N N 121.592 0.300 1 432 42 47 LEU H H 8.215 0.030 1 433 42 47 LEU HA H 4.042 0.030 1 434 42 47 LEU HB2 H 1.820 0.030 2 435 42 47 LEU HB3 H 1.519 0.030 2 436 42 47 LEU HG H 1.702 0.030 1 437 42 47 LEU HD1 H 0.927 0.030 2 438 42 47 LEU HD2 H 0.899 0.030 2 439 42 47 LEU C C 179.621 0.300 1 440 42 47 LEU CA C 57.460 0.300 1 441 42 47 LEU CB C 41.637 0.300 1 442 42 47 LEU CG C 26.978 0.300 1 443 42 47 LEU CD1 C 25.513 0.300 2 444 42 47 LEU CD2 C 23.076 0.300 2 445 42 47 LEU N N 121.344 0.300 1 446 43 48 GLU H H 8.225 0.030 1 447 43 48 GLU HA H 3.988 0.030 1 448 43 48 GLU HB2 H 2.026 0.030 1 449 43 48 GLU HB3 H 2.026 0.030 1 450 43 48 GLU HG2 H 2.093 0.030 2 451 43 48 GLU HG3 H 2.256 0.030 2 452 43 48 GLU C C 177.573 0.300 1 453 43 48 GLU CA C 59.307 0.300 1 454 43 48 GLU CB C 29.648 0.300 1 455 43 48 GLU CG C 36.534 0.300 1 456 43 48 GLU N N 121.986 0.300 1 457 44 49 LYS H H 7.790 0.030 1 458 44 49 LYS HA H 3.243 0.030 1 459 44 49 LYS HB2 H 1.847 0.030 2 460 44 49 LYS HB3 H 1.796 0.030 2 461 44 49 LYS HG2 H 1.548 0.030 2 462 44 49 LYS HG3 H 1.319 0.030 2 463 44 49 LYS HD2 H 1.781 0.030 1 464 44 49 LYS HD3 H 1.781 0.030 1 465 44 49 LYS HE2 H 3.080 0.030 2 466 44 49 LYS HE3 H 3.005 0.030 2 467 44 49 LYS C C 177.659 0.300 1 468 44 49 LYS CA C 59.886 0.300 1 469 44 49 LYS CB C 32.302 0.300 1 470 44 49 LYS CG C 24.945 0.300 1 471 44 49 LYS CD C 30.001 0.300 1 472 44 49 LYS CE C 42.141 0.300 1 473 44 49 LYS N N 118.759 0.300 1 474 45 50 ALA H H 7.798 0.030 1 475 45 50 ALA HA H 3.959 0.030 1 476 45 50 ALA HB H 1.351 0.030 1 477 45 50 ALA C C 180.486 0.300 1 478 45 50 ALA CA C 54.882 0.300 1 479 45 50 ALA CB C 17.877 0.300 1 480 45 50 ALA N N 120.023 0.300 1 481 46 51 ALA H H 7.809 0.030 1 482 46 51 ALA HA H 4.113 0.030 1 483 46 51 ALA HB H 1.523 0.030 1 484 46 51 ALA C C 180.762 0.300 1 485 46 51 ALA CA C 55.111 0.300 1 486 46 51 ALA CB C 18.041 0.300 1 487 46 51 ALA N N 121.955 0.300 1 488 47 52 VAL H H 7.944 0.030 1 489 47 52 VAL HA H 3.650 0.030 1 490 47 52 VAL HB H 1.386 0.030 1 491 47 52 VAL HG1 H 0.192 0.030 2 492 47 52 VAL HG2 H 0.134 0.030 2 493 47 52 VAL C C 178.567 0.300 1 494 47 52 VAL CA C 67.227 0.300 1 495 47 52 VAL CB C 31.110 0.300 1 496 47 52 VAL CG1 C 21.434 0.300 2 497 47 52 VAL CG2 C 22.678 0.300 2 498 47 52 VAL N N 120.415 0.300 1 499 48 53 LYS H H 8.132 0.030 1 500 48 53 LYS HA H 3.564 0.030 1 501 48 53 LYS HB2 H 1.795 0.030 1 502 48 53 LYS HB3 H 1.795 0.030 1 503 48 53 LYS HG2 H 1.011 0.030 2 504 48 53 LYS HG3 H 1.593 0.030 2 505 48 53 LYS HD2 H 1.716 0.030 1 506 48 53 LYS HD3 H 1.716 0.030 1 507 48 53 LYS HE2 H 3.028 0.030 2 508 48 53 LYS HE3 H 2.960 0.030 2 509 48 53 LYS C C 178.546 0.300 1 510 48 53 LYS CA C 60.720 0.300 1 511 48 53 LYS CB C 32.251 0.300 1 512 48 53 LYS CG C 27.082 0.300 1 513 48 53 LYS CD C 29.451 0.300 1 514 48 53 LYS CE C 42.333 0.300 1 515 48 53 LYS N N 119.231 0.300 1 516 49 54 LYS H H 7.956 0.030 1 517 49 54 LYS HA H 3.993 0.030 1 518 49 54 LYS HB2 H 1.974 0.030 1 519 49 54 LYS HB3 H 1.974 0.030 1 520 49 54 LYS HG2 H 1.398 0.030 2 521 49 54 LYS HG3 H 1.572 0.030 2 522 49 54 LYS HD2 H 1.705 0.030 1 523 49 54 LYS HD3 H 1.705 0.030 1 524 49 54 LYS HE2 H 2.968 0.030 2 525 49 54 LYS HE3 H 3.027 0.030 2 526 49 54 LYS C C 179.987 0.300 1 527 49 54 LYS CA C 60.237 0.300 1 528 49 54 LYS CB C 32.483 0.300 1 529 49 54 LYS CG C 25.471 0.300 1 530 49 54 LYS CD C 29.477 0.300 1 531 49 54 LYS CE C 42.323 0.300 1 532 49 54 LYS N N 119.514 0.300 1 533 50 55 MET H H 7.816 0.030 1 534 50 55 MET HA H 4.251 0.030 1 535 50 55 MET HB2 H 2.198 0.030 2 536 50 55 MET HB3 H 2.581 0.030 2 537 50 55 MET HG2 H 2.663 0.030 2 538 50 55 MET HG3 H 3.015 0.030 2 539 50 55 MET HE H 2.151 0.030 1 540 50 55 MET C C 177.536 0.300 1 541 50 55 MET CA C 58.396 0.300 1 542 50 55 MET CB C 34.228 0.300 1 543 50 55 MET CG C 33.411 0.300 1 544 50 55 MET CE C 18.746 0.300 1 545 50 55 MET N N 119.732 0.300 1 546 51 56 ALA H H 8.724 0.030 1 547 51 56 ALA HA H 4.152 0.030 1 548 51 56 ALA HB H 1.463 0.030 1 549 51 56 ALA C C 179.615 0.300 1 550 51 56 ALA CA C 55.338 0.300 1 551 51 56 ALA CB C 19.106 0.300 1 552 51 56 ALA N N 122.295 0.300 1 553 52 57 LYS H H 8.444 0.030 1 554 52 57 LYS HA H 4.084 0.030 1 555 52 57 LYS HB2 H 1.980 0.030 2 556 52 57 LYS HB3 H 2.074 0.030 2 557 52 57 LYS HG2 H 1.588 0.030 2 558 52 57 LYS HG3 H 1.860 0.030 2 559 52 57 LYS HD2 H 1.762 0.030 1 560 52 57 LYS HD3 H 1.762 0.030 1 561 52 57 LYS HE2 H 3.024 0.030 1 562 52 57 LYS HE3 H 3.024 0.030 1 563 52 57 LYS C C 179.358 0.300 1 564 52 57 LYS CA C 59.974 0.300 1 565 52 57 LYS CB C 32.501 0.300 1 566 52 57 LYS CG C 26.014 0.300 1 567 52 57 LYS CD C 29.877 0.300 1 568 52 57 LYS CE C 42.123 0.300 1 569 52 57 LYS N N 117.704 0.300 1 570 53 58 ALA H H 7.701 0.030 1 571 53 58 ALA HA H 4.171 0.030 1 572 53 58 ALA HB H 1.526 0.030 1 573 53 58 ALA C C 180.708 0.300 1 574 53 58 ALA CA C 55.111 0.300 1 575 53 58 ALA CB C 17.548 0.300 1 576 53 58 ALA N N 122.736 0.300 1 577 54 59 ILE H H 7.547 0.030 1 578 54 59 ILE HA H 3.673 0.030 1 579 54 59 ILE HB H 1.887 0.030 1 580 54 59 ILE HG12 H 0.279 0.030 2 581 54 59 ILE HG13 H 1.649 0.030 2 582 54 59 ILE HG2 H 0.761 0.030 1 583 54 59 ILE HD1 H 0.356 0.030 1 584 54 59 ILE C C 177.728 0.300 1 585 54 59 ILE CA C 63.978 0.300 1 586 54 59 ILE CB C 37.813 0.300 1 587 54 59 ILE CG1 C 28.005 0.300 1 588 54 59 ILE CG2 C 18.205 0.300 1 589 54 59 ILE CD1 C 14.807 0.300 1 590 54 59 ILE N N 117.672 0.300 1 591 55 60 MET H H 7.718 0.030 1 592 55 60 MET HA H 4.098 0.030 1 593 55 60 MET HB2 H 2.219 0.030 1 594 55 60 MET HB3 H 2.219 0.030 1 595 55 60 MET HG2 H 2.693 0.030 2 596 55 60 MET HG3 H 2.853 0.030 2 597 55 60 MET HE H 2.092 0.030 1 598 55 60 MET C C 178.085 0.300 1 599 55 60 MET CA C 58.060 0.300 1 600 55 60 MET CB C 32.178 0.300 1 601 55 60 MET CG C 32.457 0.300 1 602 55 60 MET CE C 16.858 0.300 1 603 55 60 MET N N 117.653 0.300 1 604 56 61 ALA H H 7.513 0.030 1 605 56 61 ALA HA H 4.274 0.030 1 606 56 61 ALA HB H 1.456 0.030 1 607 56 61 ALA C C 177.758 0.300 1 608 56 61 ALA CA C 53.442 0.300 1 609 56 61 ALA CB C 19.068 0.300 1 610 56 61 ALA N N 118.874 0.300 1 611 57 62 ASP H H 7.615 0.030 1 612 57 62 ASP HA H 4.933 0.030 1 613 57 62 ASP HB2 H 2.811 0.030 2 614 57 62 ASP HB3 H 2.503 0.030 2 615 57 62 ASP C C 172.960 0.300 1 616 57 62 ASP CA C 51.124 0.300 1 617 57 62 ASP CB C 41.384 0.300 1 618 57 62 ASP N N 115.735 0.300 1 619 58 63 PRO HA H 4.446 0.030 1 620 58 63 PRO HB2 H 2.459 0.030 2 621 58 63 PRO HB3 H 1.971 0.030 2 622 58 63 PRO HG2 H 2.051 0.030 2 623 58 63 PRO HG3 H 2.099 0.030 2 624 58 63 PRO HD2 H 3.911 0.030 2 625 58 63 PRO HD3 H 3.566 0.030 2 626 58 63 PRO C C 179.157 0.300 1 627 58 63 PRO CA C 64.399 0.300 1 628 58 63 PRO CB C 32.260 0.300 1 629 58 63 PRO CG C 27.051 0.300 1 630 58 63 PRO CD C 50.494 0.300 1 631 59 64 ASN H H 8.094 0.030 1 632 59 64 ASN HA H 4.552 0.030 1 633 59 64 ASN HB2 H 2.830 0.030 2 634 59 64 ASN HB3 H 2.977 0.030 2 635 59 64 ASN HD21 H 7.987 0.030 2 636 59 64 ASN HD22 H 7.042 0.030 2 637 59 64 ASN C C 176.867 0.300 1 638 59 64 ASN CA C 55.321 0.300 1 639 59 64 ASN CB C 37.901 0.300 1 640 59 64 ASN N N 115.566 0.300 1 641 59 64 ASN ND2 N 115.034 0.300 1 642 60 65 LYS H H 8.185 0.030 1 643 60 65 LYS HA H 4.178 0.030 1 644 60 65 LYS HB2 H 1.677 0.030 2 645 60 65 LYS HB3 H 1.761 0.030 2 646 60 65 LYS HG2 H 1.329 0.030 2 647 60 65 LYS HG3 H 1.442 0.030 2 648 60 65 LYS HD2 H 1.552 0.030 1 649 60 65 LYS HD3 H 1.552 0.030 1 650 60 65 LYS HE2 H 2.943 0.030 1 651 60 65 LYS HE3 H 2.943 0.030 1 652 60 65 LYS C C 175.844 0.300 1 653 60 65 LYS CA C 56.234 0.300 1 654 60 65 LYS CB C 32.877 0.300 1 655 60 65 LYS CG C 25.471 0.300 1 656 60 65 LYS CD C 28.644 0.300 1 657 60 65 LYS CE C 42.206 0.300 1 658 60 65 LYS N N 118.691 0.300 1 659 61 66 ALA H H 7.233 0.030 1 660 61 66 ALA HA H 3.042 0.030 1 661 61 66 ALA HB H 1.187 0.030 1 662 61 66 ALA C C 176.697 0.300 1 663 61 66 ALA CA C 55.812 0.300 1 664 61 66 ALA CB C 18.234 0.300 1 665 61 66 ALA N N 120.147 0.300 1 666 62 67 ASP H H 8.114 0.030 1 667 62 67 ASP HA H 4.173 0.030 1 668 62 67 ASP HB2 H 2.647 0.030 2 669 62 67 ASP HB3 H 2.615 0.030 2 670 62 67 ASP C C 178.071 0.300 1 671 62 67 ASP CA C 58.368 0.300 1 672 62 67 ASP CB C 40.644 0.300 1 673 62 67 ASP N N 114.524 0.300 1 674 63 68 GLU H H 7.846 0.030 1 675 63 68 GLU HA H 3.893 0.030 1 676 63 68 GLU HB2 H 1.920 0.030 2 677 63 68 GLU HB3 H 2.018 0.030 2 678 63 68 GLU HG2 H 2.120 0.030 2 679 63 68 GLU HG3 H 2.189 0.030 2 680 63 68 GLU C C 178.885 0.300 1 681 63 68 GLU CA C 58.745 0.300 1 682 63 68 GLU CB C 29.661 0.300 1 683 63 68 GLU CG C 36.251 0.300 1 684 63 68 GLU N N 117.486 0.300 1 685 64 69 VAL H H 7.325 0.030 1 686 64 69 VAL HA H 3.046 0.030 1 687 64 69 VAL HB H 1.188 0.030 1 688 64 69 VAL HG1 H -0.562 0.030 2 689 64 69 VAL HG2 H 0.664 0.030 2 690 64 69 VAL C C 176.618 0.300 1 691 64 69 VAL CA C 66.453 0.300 1 692 64 69 VAL CB C 31.039 0.300 1 693 64 69 VAL CG1 C 21.340 0.300 2 694 64 69 VAL CG2 C 22.752 0.300 2 695 64 69 VAL N N 120.957 0.300 1 696 65 70 TYR H H 8.483 0.030 1 697 65 70 TYR HA H 4.175 0.030 1 698 65 70 TYR HB2 H 2.444 0.030 2 699 65 70 TYR HB3 H 2.360 0.030 2 700 65 70 TYR HD1 H 6.814 0.030 1 701 65 70 TYR HD2 H 6.814 0.030 1 702 65 70 TYR HE1 H 6.748 0.030 1 703 65 70 TYR HE2 H 6.748 0.030 1 704 65 70 TYR C C 178.493 0.300 1 705 65 70 TYR CA C 57.481 0.300 1 706 65 70 TYR CB C 33.863 0.300 1 707 65 70 TYR CD1 C 131.415 0.300 1 708 65 70 TYR CD2 C 131.415 0.300 1 709 65 70 TYR CE1 C 119.339 0.300 1 710 65 70 TYR CE2 C 119.339 0.300 1 711 65 70 TYR N N 117.638 0.300 1 712 66 71 LYS H H 7.754 0.030 1 713 66 71 LYS HA H 4.214 0.030 1 714 66 71 LYS HB2 H 1.918 0.030 1 715 66 71 LYS HB3 H 1.918 0.030 1 716 66 71 LYS HG2 H 1.519 0.030 2 717 66 71 LYS HG3 H 1.699 0.030 2 718 66 71 LYS HD2 H 1.709 0.030 1 719 66 71 LYS HD3 H 1.709 0.030 1 720 66 71 LYS HE2 H 3.033 0.030 1 721 66 71 LYS HE3 H 3.033 0.030 1 722 66 71 LYS C C 178.790 0.300 1 723 66 71 LYS CA C 59.793 0.300 1 724 66 71 LYS CB C 32.507 0.300 1 725 66 71 LYS CG C 25.931 0.300 1 726 66 71 LYS CD C 29.451 0.300 1 727 66 71 LYS CE C 42.206 0.300 1 728 66 71 LYS N N 117.283 0.300 1 729 67 72 LYS H H 7.386 0.030 1 730 67 72 LYS HA H 4.141 0.030 1 731 67 72 LYS HB2 H 1.887 0.030 2 732 67 72 LYS HB3 H 1.981 0.030 2 733 67 72 LYS HG2 H 1.465 0.030 2 734 67 72 LYS HG3 H 1.671 0.030 2 735 67 72 LYS HD2 H 1.577 0.030 1 736 67 72 LYS HD3 H 1.577 0.030 1 737 67 72 LYS HE2 H 2.947 0.030 1 738 67 72 LYS HE3 H 2.947 0.030 1 739 67 72 LYS C C 180.399 0.300 1 740 67 72 LYS CA C 59.728 0.300 1 741 67 72 LYS CB C 32.014 0.300 1 742 67 72 LYS CG C 25.767 0.300 1 743 67 72 LYS CD C 29.416 0.300 1 744 67 72 LYS CE C 42.241 0.300 1 745 67 72 LYS N N 120.053 0.300 1 746 68 73 TRP H H 8.659 0.030 1 747 68 73 TRP HA H 4.513 0.030 1 748 68 73 TRP HB2 H 3.106 0.030 2 749 68 73 TRP HB3 H 3.638 0.030 2 750 68 73 TRP HD1 H 6.985 0.030 1 751 68 73 TRP HE1 H 9.618 0.030 1 752 68 73 TRP HE3 H 6.470 0.030 1 753 68 73 TRP HZ2 H 7.373 0.030 1 754 68 73 TRP HZ3 H 6.707 0.030 1 755 68 73 TRP HH2 H 6.685 0.030 1 756 68 73 TRP C C 177.981 0.300 1 757 68 73 TRP CA C 57.915 0.300 1 758 68 73 TRP CB C 29.562 0.300 1 759 68 73 TRP CD1 C 122.692 0.300 1 760 68 73 TRP CE3 C 121.120 0.300 1 761 68 73 TRP CZ2 C 114.562 0.300 1 762 68 73 TRP CZ3 C 121.083 0.300 1 763 68 73 TRP CH2 C 123.182 0.300 1 764 68 73 TRP N N 121.910 0.300 1 765 68 73 TRP NE1 N 125.142 0.300 1 766 69 74 ALA H H 9.137 0.030 1 767 69 74 ALA HA H 4.492 0.030 1 768 69 74 ALA HB H 1.805 0.030 1 769 69 74 ALA C C 182.881 0.300 1 770 69 74 ALA CA C 55.349 0.300 1 771 69 74 ALA CB C 18.392 0.300 1 772 69 74 ALA N N 123.471 0.300 1 773 70 75 ASP H H 8.804 0.030 1 774 70 75 ASP HA H 4.464 0.030 1 775 70 75 ASP HB2 H 2.932 0.030 2 776 70 75 ASP HB3 H 2.694 0.030 2 777 70 75 ASP C C 178.714 0.300 1 778 70 75 ASP CA C 57.094 0.300 1 779 70 75 ASP CB C 40.585 0.300 1 780 70 75 ASP N N 121.896 0.300 1 781 71 76 LYS H H 7.630 0.030 1 782 71 76 LYS HA H 4.029 0.030 1 783 71 76 LYS HB2 H 1.409 0.030 2 784 71 76 LYS HB3 H 1.208 0.030 2 785 71 76 LYS HG2 H 1.315 0.030 1 786 71 76 LYS HG3 H 1.315 0.030 1 787 71 76 LYS HD2 H 1.554 0.030 1 788 71 76 LYS HD3 H 1.554 0.030 1 789 71 76 LYS HE2 H 2.969 0.030 1 790 71 76 LYS HE3 H 2.969 0.030 1 791 71 76 LYS C C 176.868 0.300 1 792 71 76 LYS CA C 56.497 0.300 1 793 71 76 LYS CB C 31.685 0.300 1 794 71 76 LYS CG C 24.945 0.300 1 795 71 76 LYS CD C 28.726 0.300 1 796 71 76 LYS CE C 42.041 0.300 1 797 71 76 LYS N N 118.966 0.300 1 798 72 77 GLY H H 7.901 0.030 1 799 72 77 GLY HA2 H 4.071 0.030 2 800 72 77 GLY HA3 H 3.757 0.030 2 801 72 77 GLY C C 175.407 0.300 1 802 72 77 GLY CA C 45.189 0.300 1 803 72 77 GLY N N 107.310 0.300 1 804 73 78 TYR H H 7.506 0.030 1 805 73 78 TYR HA H 5.292 0.030 1 806 73 78 TYR HB2 H 2.805 0.030 2 807 73 78 TYR HB3 H 2.729 0.030 2 808 73 78 TYR HD1 H 6.813 0.030 1 809 73 78 TYR HD2 H 6.813 0.030 1 810 73 78 TYR HE1 H 6.648 0.030 1 811 73 78 TYR HE2 H 6.648 0.030 1 812 73 78 TYR C C 178.422 0.300 1 813 73 78 TYR CA C 55.545 0.300 1 814 73 78 TYR CB C 36.781 0.300 1 815 73 78 TYR CD1 C 131.673 0.300 1 816 73 78 TYR CD2 C 131.673 0.300 1 817 73 78 TYR CE1 C 118.064 0.300 1 818 73 78 TYR CE2 C 118.064 0.300 1 819 73 78 TYR N N 117.917 0.300 1 820 74 79 THR H H 8.957 0.030 1 821 74 79 THR HA H 4.518 0.030 1 822 74 79 THR HB H 4.902 0.030 1 823 74 79 THR HG2 H 1.466 0.030 1 824 74 79 THR C C 175.648 0.300 1 825 74 79 THR CA C 60.027 0.300 1 826 74 79 THR CB C 71.622 0.300 1 827 74 79 THR CG2 C 21.904 0.300 1 828 74 79 THR N N 119.420 0.300 1 829 75 80 LEU H H 9.005 0.030 1 830 75 80 LEU HA H 4.180 0.030 1 831 75 80 LEU HB2 H 1.883 0.030 1 832 75 80 LEU HB3 H 1.883 0.030 1 833 75 80 LEU HG H 1.784 0.030 1 834 75 80 LEU HD1 H 0.924 0.030 2 835 75 80 LEU HD2 H 0.629 0.030 2 836 75 80 LEU C C 180.085 0.300 1 837 75 80 LEU CA C 58.913 0.300 1 838 75 80 LEU CB C 39.653 0.300 1 839 75 80 LEU CG C 26.744 0.300 1 840 75 80 LEU CD1 C 25.875 0.300 2 841 75 80 LEU CD2 C 23.771 0.300 2 842 75 80 LEU N N 119.655 0.300 1 843 76 81 THR H H 8.135 0.030 1 844 76 81 THR HA H 3.939 0.030 1 845 76 81 THR HB H 3.997 0.030 1 846 76 81 THR HG2 H 1.163 0.030 1 847 76 81 THR C C 177.000 0.300 1 848 76 81 THR CA C 66.349 0.300 1 849 76 81 THR CB C 68.591 0.300 1 850 76 81 THR CG2 C 21.740 0.300 1 851 76 81 THR N N 115.259 0.300 1 852 77 82 GLN H H 7.641 0.030 1 853 77 82 GLN HA H 3.653 0.030 1 854 77 82 GLN HB2 H 1.331 0.030 2 855 77 82 GLN HB3 H 2.102 0.030 2 856 77 82 GLN HG2 H 2.010 0.030 2 857 77 82 GLN HG3 H 2.185 0.030 2 858 77 82 GLN HE21 H 6.978 0.030 2 859 77 82 GLN HE22 H 7.390 0.030 2 860 77 82 GLN C C 178.354 0.300 1 861 77 82 GLN CA C 58.640 0.300 1 862 77 82 GLN CB C 28.914 0.300 1 863 77 82 GLN CG C 34.808 0.300 1 864 77 82 GLN N N 121.304 0.300 1 865 77 82 GLN NE2 N 111.161 0.300 1 866 78 83 MET H H 8.665 0.030 1 867 78 83 MET HA H 4.425 0.030 1 868 78 83 MET HB2 H 2.060 0.030 1 869 78 83 MET HB3 H 2.060 0.030 1 870 78 83 MET HG2 H 2.298 0.030 2 871 78 83 MET HG3 H 2.467 0.030 2 872 78 83 MET HE H 0.376 0.030 1 873 78 83 MET C C 177.906 0.300 1 874 78 83 MET CA C 55.462 0.300 1 875 78 83 MET CB C 29.014 0.300 1 876 78 83 MET CG C 31.027 0.300 1 877 78 83 MET CE C 14.426 0.300 1 878 78 83 MET N N 117.464 0.300 1 879 79 84 SER H H 8.607 0.030 1 880 79 84 SER HA H 3.689 0.030 1 881 79 84 SER HB2 H 3.781 0.030 1 882 79 84 SER HB3 H 3.781 0.030 1 883 79 84 SER C C 176.666 0.300 1 884 79 84 SER CA C 61.347 0.300 1 885 79 84 SER CB C 62.356 0.300 1 886 79 84 SER N N 114.879 0.300 1 887 80 85 ASN H H 7.204 0.030 1 888 80 85 ASN HA H 4.415 0.030 1 889 80 85 ASN HB2 H 2.647 0.030 2 890 80 85 ASN HB3 H 2.587 0.030 2 891 80 85 ASN HD21 H 6.943 0.030 2 892 80 85 ASN HD22 H 7.466 0.030 2 893 80 85 ASN C C 177.997 0.300 1 894 80 85 ASN CA C 55.953 0.300 1 895 80 85 ASN CB C 38.260 0.300 1 896 80 85 ASN N N 117.904 0.300 1 897 80 85 ASN ND2 N 113.648 0.300 1 898 81 86 PHE H H 8.367 0.030 1 899 81 86 PHE HA H 4.428 0.030 1 900 81 86 PHE HB2 H 3.010 0.030 2 901 81 86 PHE HB3 H 2.750 0.030 2 902 81 86 PHE HD1 H 6.739 0.030 1 903 81 86 PHE HD2 H 6.739 0.030 1 904 81 86 PHE HE1 H 6.397 0.030 1 905 81 86 PHE HE2 H 6.397 0.030 1 906 81 86 PHE HZ H 6.860 0.030 1 907 81 86 PHE C C 177.478 0.300 1 908 81 86 PHE CA C 58.394 0.300 1 909 81 86 PHE CB C 38.835 0.300 1 910 81 86 PHE CD1 C 129.907 0.300 1 911 81 86 PHE CD2 C 129.907 0.300 1 912 81 86 PHE CE1 C 130.791 0.300 1 913 81 86 PHE CE2 C 130.791 0.300 1 914 81 86 PHE CZ C 129.677 0.300 1 915 81 86 PHE N N 118.316 0.300 1 916 82 87 LEU H H 7.778 0.030 1 917 82 87 LEU HA H 4.100 0.030 1 918 82 87 LEU HB2 H 1.594 0.030 2 919 82 87 LEU HB3 H 1.710 0.030 2 920 82 87 LEU HG H 1.657 0.030 1 921 82 87 LEU HD1 H 0.871 0.030 2 922 82 87 LEU HD2 H 0.300 0.030 2 923 82 87 LEU C C 176.474 0.300 1 924 82 87 LEU CA C 54.549 0.300 1 925 82 87 LEU CB C 41.371 0.300 1 926 82 87 LEU CG C 26.074 0.300 1 927 82 87 LEU CD1 C 26.095 0.300 2 928 82 87 LEU CD2 C 21.766 0.300 2 929 82 87 LEU N N 112.533 0.300 1 930 83 88 LYS H H 7.328 0.030 1 931 83 88 LYS HA H 4.248 0.030 1 932 83 88 LYS HB2 H 1.789 0.030 2 933 83 88 LYS HB3 H 1.887 0.030 2 934 83 88 LYS HG2 H 1.382 0.030 2 935 83 88 LYS HG3 H 1.417 0.030 2 936 83 88 LYS HD2 H 1.557 0.030 1 937 83 88 LYS HD3 H 1.557 0.030 1 938 83 88 LYS HE2 H 2.759 0.030 1 939 83 88 LYS HE3 H 2.759 0.030 1 940 83 88 LYS C C 176.594 0.300 1 941 83 88 LYS CA C 57.674 0.300 1 942 83 88 LYS CB C 32.671 0.300 1 943 83 88 LYS CG C 24.698 0.300 1 944 83 88 LYS CD C 29.137 0.300 1 945 83 88 LYS CE C 41.877 0.300 1 946 83 88 LYS N N 119.798 0.300 1 947 84 89 SER H H 8.197 0.030 1 948 84 89 SER HA H 4.785 0.030 1 949 84 89 SER HB2 H 3.990 0.030 2 950 84 89 SER HB3 H 3.854 0.030 2 951 84 89 SER CA C 57.375 0.300 1 952 84 89 SER CB C 64.838 0.300 1 953 84 89 SER N N 117.937 0.300 1 954 85 90 LYS H H 7.981 0.030 1 955 85 90 LYS HA H 4.154 0.030 1 956 85 90 LYS HB2 H 1.922 0.030 1 957 85 90 LYS HB3 H 1.922 0.030 1 958 85 90 LYS HG2 H 1.473 0.030 1 959 85 90 LYS HG3 H 1.473 0.030 1 960 85 90 LYS HD2 H 1.698 0.030 1 961 85 90 LYS HD3 H 1.698 0.030 1 962 85 90 LYS C C 177.472 0.300 1 963 85 90 LYS CA C 58.394 0.300 1 964 85 90 LYS CB C 31.767 0.300 1 965 85 90 LYS CG C 25.109 0.300 1 966 85 90 LYS CD C 29.451 0.300 1 967 85 90 LYS CE C 42.288 0.300 1 968 86 91 THR H H 7.942 0.030 1 969 86 91 THR HA H 4.342 0.030 1 970 86 91 THR HB H 4.161 0.030 1 971 86 91 THR HG2 H 1.169 0.030 1 972 86 91 THR C C 174.236 0.300 1 973 86 91 THR CA C 61.203 0.300 1 974 86 91 THR CB C 69.254 0.300 1 975 86 91 THR CG2 C 21.575 0.300 1 976 86 91 THR N N 113.435 0.300 1 977 87 92 ALA H H 8.603 0.030 1 978 87 92 ALA HA H 4.178 0.030 1 979 87 92 ALA HB H 1.382 0.030 1 980 87 92 ALA C C 178.710 0.300 1 981 87 92 ALA CA C 53.583 0.300 1 982 87 92 ALA CB C 18.081 0.300 1 983 87 92 ALA N N 129.685 0.300 1 984 88 93 GLY H H 8.823 0.030 1 985 88 93 GLY HA2 H 4.009 0.030 1 986 88 93 GLY HA3 H 4.009 0.030 1 987 88 93 GLY C C 176.310 0.300 1 988 88 93 GLY CA C 45.505 0.300 1 989 88 93 GLY N N 109.919 0.300 1 990 89 94 LYS H H 7.501 0.030 1 991 89 94 LYS HA H 3.792 0.030 1 992 89 94 LYS HB2 H 1.663 0.030 2 993 89 94 LYS HB3 H 1.353 0.030 2 994 89 94 LYS HG2 H 0.475 0.030 2 995 89 94 LYS HG3 H 0.904 0.030 2 996 89 94 LYS HD2 H 1.460 0.030 1 997 89 94 LYS HD3 H 1.460 0.030 1 998 89 94 LYS HE2 H 2.774 0.030 2 999 89 94 LYS HE3 H 2.842 0.030 2 1000 89 94 LYS C C 177.630 0.300 1 1001 89 94 LYS CA C 59.606 0.300 1 1002 89 94 LYS CB C 33.246 0.300 1 1003 89 94 LYS CG C 24.193 0.300 1 1004 89 94 LYS CD C 29.526 0.300 1 1005 89 94 LYS CE C 42.148 0.300 1 1006 89 94 LYS N N 120.949 0.300 1 1007 90 95 TYR H H 8.670 0.030 1 1008 90 95 TYR HA H 5.047 0.030 1 1009 90 95 TYR HB2 H 3.515 0.030 2 1010 90 95 TYR HB3 H 2.956 0.030 2 1011 90 95 TYR HD1 H 7.227 0.030 1 1012 90 95 TYR HD2 H 7.227 0.030 1 1013 90 95 TYR HE1 H 6.791 0.030 1 1014 90 95 TYR HE2 H 6.791 0.030 1 1015 90 95 TYR C C 176.649 0.300 1 1016 90 95 TYR CA C 56.936 0.300 1 1017 90 95 TYR CB C 39.000 0.300 1 1018 90 95 TYR CD1 C 133.265 0.300 1 1019 90 95 TYR CD2 C 133.265 0.300 1 1020 90 95 TYR CE1 C 117.695 0.300 1 1021 90 95 TYR CE2 C 117.695 0.300 1 1022 90 95 TYR N N 113.034 0.300 1 1023 91 96 ASP H H 7.756 0.030 1 1024 91 96 ASP HA H 4.329 0.030 1 1025 91 96 ASP HB2 H 2.772 0.030 2 1026 91 96 ASP HB3 H 2.708 0.030 2 1027 91 96 ASP C C 178.087 0.300 1 1028 91 96 ASP CA C 58.619 0.300 1 1029 91 96 ASP CB C 39.570 0.300 1 1030 91 96 ASP N N 123.097 0.300 1 1031 92 97 ARG H H 8.897 0.030 1 1032 92 97 ARG HA H 4.262 0.030 1 1033 92 97 ARG HB2 H 2.019 0.030 2 1034 92 97 ARG HB3 H 1.952 0.030 2 1035 92 97 ARG HG2 H 1.745 0.030 2 1036 92 97 ARG HG3 H 1.817 0.030 2 1037 92 97 ARG HD2 H 3.292 0.030 1 1038 92 97 ARG HD3 H 3.292 0.030 1 1039 92 97 ARG C C 179.927 0.300 1 1040 92 97 ARG CA C 59.746 0.300 1 1041 92 97 ARG CB C 29.794 0.300 1 1042 92 97 ARG CG C 27.493 0.300 1 1043 92 97 ARG CD C 43.603 0.300 1 1044 92 97 ARG N N 118.384 0.300 1 1045 93 98 VAL H H 7.578 0.030 1 1046 93 98 VAL HA H 3.938 0.030 1 1047 93 98 VAL HB H 2.592 0.030 1 1048 93 98 VAL HG1 H 1.454 0.030 2 1049 93 98 VAL HG2 H 1.334 0.030 2 1050 93 98 VAL C C 179.630 0.300 1 1051 93 98 VAL CA C 65.804 0.300 1 1052 93 98 VAL CB C 32.054 0.300 1 1053 93 98 VAL CG1 C 22.864 0.300 2 1054 93 98 VAL CG2 C 22.876 0.300 2 1055 93 98 VAL N N 119.642 0.300 1 1056 94 99 TYR H H 8.635 0.030 1 1057 94 99 TYR HA H 3.934 0.030 1 1058 94 99 TYR HB2 H 2.990 0.030 2 1059 94 99 TYR HB3 H 3.205 0.030 2 1060 94 99 TYR HD1 H 6.925 0.030 1 1061 94 99 TYR HD2 H 6.925 0.030 1 1062 94 99 TYR HE1 H 6.894 0.030 1 1063 94 99 TYR HE2 H 6.894 0.030 1 1064 94 99 TYR C C 176.400 0.300 1 1065 94 99 TYR CA C 62.906 0.300 1 1066 94 99 TYR CB C 38.322 0.300 1 1067 94 99 TYR CD1 C 132.251 0.300 1 1068 94 99 TYR CD2 C 132.251 0.300 1 1069 94 99 TYR CE1 C 118.696 0.300 1 1070 94 99 TYR CE2 C 118.696 0.300 1 1071 94 99 TYR N N 122.432 0.300 1 1072 95 100 ASN H H 9.024 0.030 1 1073 95 100 ASN HA H 4.286 0.030 1 1074 95 100 ASN HB2 H 2.841 0.030 2 1075 95 100 ASN HB3 H 2.959 0.030 2 1076 95 100 ASN HD21 H 7.073 0.030 2 1077 95 100 ASN HD22 H 7.683 0.030 2 1078 95 100 ASN C C 178.488 0.300 1 1079 95 100 ASN CA C 55.856 0.300 1 1080 95 100 ASN CB C 37.849 0.300 1 1081 95 100 ASN N N 117.211 0.300 1 1082 95 100 ASN ND2 N 111.885 0.300 1 1083 96 101 GLY H H 7.908 0.030 1 1084 96 101 GLY HA2 H 3.930 0.030 2 1085 96 101 GLY HA3 H 4.330 0.030 2 1086 96 101 GLY C C 175.833 0.300 1 1087 96 101 GLY CA C 47.032 0.300 1 1088 96 101 GLY N N 105.413 0.300 1 1089 97 102 TYR H H 7.581 0.030 1 1090 97 102 TYR HA H 3.467 0.030 1 1091 97 102 TYR HB2 H 2.982 0.030 2 1092 97 102 TYR HB3 H 2.875 0.030 2 1093 97 102 TYR HD1 H 6.699 0.030 1 1094 97 102 TYR HD2 H 6.699 0.030 1 1095 97 102 TYR HE1 H 6.829 0.030 1 1096 97 102 TYR HE2 H 6.829 0.030 1 1097 97 102 TYR C C 176.016 0.300 1 1098 97 102 TYR CA C 59.553 0.300 1 1099 97 102 TYR CB C 37.890 0.300 1 1100 97 102 TYR CD1 C 132.066 0.300 1 1101 97 102 TYR CD2 C 132.066 0.300 1 1102 97 102 TYR CE1 C 118.558 0.300 1 1103 97 102 TYR CE2 C 118.558 0.300 1 1104 97 102 TYR N N 126.373 0.300 1 1105 98 103 VAL H H 7.510 0.030 1 1106 98 103 VAL HA H 3.142 0.030 1 1107 98 103 VAL HB H 2.158 0.030 1 1108 98 103 VAL HG1 H 0.806 0.030 2 1109 98 103 VAL HG2 H 0.663 0.030 2 1110 98 103 VAL C C 178.786 0.300 1 1111 98 103 VAL CA C 66.577 0.300 1 1112 98 103 VAL CB C 31.747 0.300 1 1113 98 103 VAL CG1 C 21.251 0.300 2 1114 98 103 VAL CG2 C 23.011 0.300 2 1115 98 103 VAL N N 117.870 0.300 1 1116 99 104 ILE H H 7.056 0.030 1 1117 99 104 ILE HA H 3.692 0.030 1 1118 99 104 ILE HB H 1.851 0.030 1 1119 99 104 ILE HG12 H 1.603 0.030 2 1120 99 104 ILE HG13 H 1.215 0.030 2 1121 99 104 ILE HG2 H 0.924 0.030 1 1122 99 104 ILE HD1 H 0.844 0.030 1 1123 99 104 ILE C C 178.703 0.300 1 1124 99 104 ILE CA C 63.837 0.300 1 1125 99 104 ILE CB C 37.932 0.300 1 1126 99 104 ILE CG1 C 28.951 0.300 1 1127 99 104 ILE CG2 C 17.368 0.300 1 1128 99 104 ILE CD1 C 12.780 0.300 1 1129 99 104 ILE N N 116.770 0.300 1 1130 100 105 HIS H H 7.864 0.030 1 1131 100 105 HIS HA H 3.952 0.030 1 1132 100 105 HIS HB2 H 2.972 0.030 2 1133 100 105 HIS HB3 H 3.152 0.030 2 1134 100 105 HIS HD2 H 6.509 0.030 1 1135 100 105 HIS HE1 H 7.782 0.030 1 1136 100 105 HIS C C 176.974 0.300 1 1137 100 105 HIS CA C 60.150 0.300 1 1138 100 105 HIS CB C 30.524 0.300 1 1139 100 105 HIS CD2 C 121.221 0.300 1 1140 100 105 HIS CE1 C 138.878 0.300 1 1141 100 105 HIS N N 121.324 0.300 1 1142 101 106 LEU H H 7.517 0.030 1 1143 101 106 LEU HA H 3.835 0.030 1 1144 101 106 LEU HB2 H 1.391 0.030 2 1145 101 106 LEU HB3 H 1.249 0.030 2 1146 101 106 LEU HG H 1.043 0.030 1 1147 101 106 LEU HD1 H 0.475 0.030 2 1148 101 106 LEU HD2 H 0.769 0.030 2 1149 101 106 LEU C C 177.315 0.300 1 1150 101 106 LEU CA C 55.707 0.300 1 1151 101 106 LEU CB C 42.041 0.300 1 1152 101 106 LEU CG C 26.211 0.300 1 1153 101 106 LEU CD1 C 25.274 0.300 2 1154 101 106 LEU CD2 C 22.030 0.300 2 1155 101 106 LEU N N 115.126 0.300 1 1156 102 107 ASP H H 7.512 0.030 1 1157 102 107 ASP HA H 4.501 0.030 1 1158 102 107 ASP HB2 H 2.726 0.030 2 1159 102 107 ASP HB3 H 2.500 0.030 2 1160 102 107 ASP C C 175.224 0.300 1 1161 102 107 ASP CA C 54.618 0.300 1 1162 102 107 ASP CB C 40.765 0.300 1 1163 102 107 ASP N N 119.221 0.300 1 1164 103 108 TYR H H 7.468 0.030 1 1165 103 108 TYR HA H 4.248 0.030 1 1166 103 108 TYR HB2 H 2.978 0.030 2 1167 103 108 TYR HB3 H 2.849 0.030 2 1168 103 108 TYR HD1 H 7.064 0.030 1 1169 103 108 TYR HD2 H 7.064 0.030 1 1170 103 108 TYR HE1 H 6.762 0.030 1 1171 103 108 TYR HE2 H 6.762 0.030 1 1172 103 108 TYR C C 181.026 0.300 1 1173 103 108 TYR CA C 59.658 0.300 1 1174 103 108 TYR CB C 39.000 0.300 1 1175 103 108 TYR CD1 C 133.143 0.300 1 1176 103 108 TYR CD2 C 133.143 0.300 1 1177 103 108 TYR CE1 C 118.142 0.300 1 1178 103 108 TYR CE2 C 118.142 0.300 1 1179 103 108 TYR N N 124.389 0.300 1 stop_ save_