data_11209 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SH3 domain of Endophilin B1 (Sh3g1b1) ; _BMRB_accession_number 11209 _BMRB_flat_file_name bmr11209.str _Entry_type original _Submission_date 2010-07-22 _Accession_date 2010-07-23 _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 Qin X. . . 2 Hayashi F. . . 3 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 428 "13C chemical shifts" 326 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-21 original author . stop_ _Original_release_date 2011-07-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the SH3 domain of Endophilin B1 (Sh3g1b1)' _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 Qin X. . . 2 Hayashi F. . . 3 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'SH3 domain GRB2-like protein B1' _Enzyme_commission_number E.C.2.3.1.- loop_ _Mol_system_component_name _Mol_label 'SH3 domain GRB2-like protein B1' $entity_1 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; GSSGSSGLNDLKESSNNRKA RVLYDYDAANSTELSLLADE VITVFSVVGMDSDWLMGERG NQKGKVPITYLELLNSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 ASN 10 ASP 11 LEU 12 LYS 13 GLU 14 SER 15 SER 16 ASN 17 ASN 18 ARG 19 LYS 20 ALA 21 ARG 22 VAL 23 LEU 24 TYR 25 ASP 26 TYR 27 ASP 28 ALA 29 ALA 30 ASN 31 SER 32 THR 33 GLU 34 LEU 35 SER 36 LEU 37 LEU 38 ALA 39 ASP 40 GLU 41 VAL 42 ILE 43 THR 44 VAL 45 PHE 46 SER 47 VAL 48 VAL 49 GLY 50 MET 51 ASP 52 SER 53 ASP 54 TRP 55 LEU 56 MET 57 GLY 58 GLU 59 ARG 60 GLY 61 ASN 62 GLN 63 LYS 64 GLY 65 LYS 66 VAL 67 PRO 68 ILE 69 THR 70 TYR 71 LEU 72 GLU 73 LEU 74 LEU 75 ASN 76 SER 77 GLY 78 PRO 79 SER 80 SER 81 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 1X43 "Solution Structure Of The Sh3 Domain Of Endophilin B1 (Sh3g1b1)" 100.00 81 100.00 100.00 7.44e-49 DBJ BAE34495 "unnamed protein product [Mus musculus]" 74.07 355 98.33 98.33 4.08e-31 GB ABA54268 "endophilin B1 testis variant [Mus musculus]" 74.07 355 98.33 98.33 4.08e-31 GB EDL12028 "SH3-domain GRB2-like B1 (endophilin), isoform CRA_c, partial [Mus musculus]" 74.07 332 98.33 98.33 3.39e-29 REF NP_001268971 "endophilin-B1 isoform 3 [Mus musculus]" 74.07 355 98.33 98.33 4.08e-31 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_1 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P041220-01 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.52mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.52 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address DelaglioF. . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address JohnsonB.A. . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9296 loop_ _Vendor _Address _Electronic_address KobayashiN. . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address GuntertP. . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'SH3 domain GRB2-like protein B1' _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 6 6 SER HA H 4.496 0.030 1 2 6 6 SER HB2 H 3.929 0.030 1 3 6 6 SER HB3 H 3.929 0.030 1 4 6 6 SER C C 175.024 0.300 1 5 6 6 SER CA C 58.743 0.300 1 6 6 6 SER CB C 64.003 0.300 1 7 7 7 GLY H H 8.456 0.030 1 8 7 7 GLY HA2 H 3.975 0.030 1 9 7 7 GLY HA3 H 3.975 0.030 1 10 7 7 GLY C C 174.326 0.300 1 11 7 7 GLY CA C 45.216 0.300 1 12 7 7 GLY N N 110.845 0.300 1 13 8 8 LEU H H 8.111 0.030 1 14 8 8 LEU HA H 4.301 0.030 1 15 8 8 LEU HB2 H 1.629 0.030 2 16 8 8 LEU HB3 H 1.566 0.030 2 17 8 8 LEU HD1 H 0.916 0.030 1 18 8 8 LEU HD2 H 0.859 0.030 1 19 8 8 LEU HG H 1.606 0.030 1 20 8 8 LEU C C 177.440 0.300 1 21 8 8 LEU CA C 55.631 0.300 1 22 8 8 LEU CB C 42.282 0.300 1 23 8 8 LEU CD1 C 24.969 0.300 2 24 8 8 LEU CD2 C 23.589 0.300 2 25 8 8 LEU CG C 27.029 0.300 1 26 8 8 LEU N N 121.391 0.300 1 27 9 9 ASN H H 8.427 0.030 1 28 9 9 ASN HA H 4.670 0.030 1 29 9 9 ASN HB2 H 2.737 0.030 2 30 9 9 ASN HB3 H 2.844 0.030 2 31 9 9 ASN HD21 H 7.600 0.030 2 32 9 9 ASN HD22 H 6.911 0.030 2 33 9 9 ASN C C 174.904 0.300 1 34 9 9 ASN CA C 53.246 0.300 1 35 9 9 ASN CB C 38.665 0.300 1 36 9 9 ASN N N 118.500 0.300 1 37 9 9 ASN ND2 N 113.012 0.300 1 38 10 10 ASP H H 8.174 0.030 1 39 10 10 ASP HA H 4.554 0.030 1 40 10 10 ASP HB2 H 2.608 0.030 2 41 10 10 ASP HB3 H 2.685 0.030 2 42 10 10 ASP C C 176.287 0.300 1 43 10 10 ASP CA C 54.299 0.300 1 44 10 10 ASP CB C 40.856 0.300 1 45 10 10 ASP N N 120.358 0.300 1 46 11 11 LEU H H 8.113 0.030 1 47 11 11 LEU HA H 4.297 0.030 1 48 11 11 LEU HB2 H 1.666 0.030 2 49 11 11 LEU HB3 H 1.592 0.030 2 50 11 11 LEU HD1 H 0.909 0.030 1 51 11 11 LEU HD2 H 0.852 0.030 1 52 11 11 LEU HG H 1.607 0.030 1 53 11 11 LEU C C 177.549 0.300 1 54 11 11 LEU CA C 55.238 0.300 1 55 11 11 LEU CB C 41.811 0.300 1 56 11 11 LEU CD1 C 24.856 0.300 2 57 11 11 LEU CD2 C 23.356 0.300 2 58 11 11 LEU CG C 26.805 0.300 1 59 11 11 LEU N N 122.144 0.300 1 60 12 12 LYS H H 8.249 0.030 1 61 12 12 LYS HA H 4.265 0.030 1 62 12 12 LYS HB2 H 1.831 0.030 2 63 12 12 LYS HB3 H 1.792 0.030 2 64 12 12 LYS HD2 H 1.664 0.030 1 65 12 12 LYS HD3 H 1.664 0.030 1 66 12 12 LYS HE2 H 2.989 0.030 1 67 12 12 LYS HE3 H 2.989 0.030 1 68 12 12 LYS HG2 H 1.437 0.030 2 69 12 12 LYS HG3 H 1.394 0.030 2 70 12 12 LYS C C 176.883 0.300 1 71 12 12 LYS CA C 56.345 0.300 1 72 12 12 LYS CB C 32.552 0.300 1 73 12 12 LYS CD C 28.754 0.300 1 74 12 12 LYS CE C 42.153 0.300 1 75 12 12 LYS CG C 24.507 0.300 1 76 12 12 LYS N N 121.618 0.300 1 77 13 13 GLU H H 8.382 0.030 1 78 13 13 GLU HA H 4.280 0.030 1 79 13 13 GLU HB2 H 2.064 0.030 2 80 13 13 GLU HB3 H 1.947 0.030 2 81 13 13 GLU HG2 H 2.243 0.030 1 82 13 13 GLU HG3 H 2.243 0.030 1 83 13 13 GLU C C 176.718 0.300 1 84 13 13 GLU CA C 56.564 0.300 1 85 13 13 GLU CB C 29.990 0.300 1 86 13 13 GLU CG C 36.055 0.300 1 87 13 13 GLU N N 121.399 0.300 1 88 14 14 SER H H 8.323 0.030 1 89 14 14 SER HA H 4.472 0.030 1 90 14 14 SER HB2 H 3.829 0.030 2 91 14 14 SER HB3 H 3.921 0.030 2 92 14 14 SER C C 174.720 0.300 1 93 14 14 SER CA C 58.128 0.300 1 94 14 14 SER CB C 63.681 0.300 1 95 14 14 SER N N 116.577 0.300 1 96 15 15 SER H H 8.332 0.030 1 97 15 15 SER HA H 4.519 0.030 1 98 15 15 SER HB2 H 3.919 0.030 1 99 15 15 SER HB3 H 3.919 0.030 1 100 15 15 SER C C 174.200 0.300 1 101 15 15 SER CA C 58.132 0.300 1 102 15 15 SER CB C 63.663 0.300 1 103 16 16 ASN HA H 4.787 0.030 1 104 16 16 ASN HB2 H 2.876 0.030 2 105 16 16 ASN HB3 H 2.764 0.030 2 106 16 16 ASN HD21 H 7.592 0.030 2 107 16 16 ASN HD22 H 6.944 0.030 2 108 16 16 ASN C C 174.555 0.300 1 109 16 16 ASN CA C 53.234 0.300 1 110 16 16 ASN CB C 39.030 0.300 1 111 16 16 ASN ND2 N 112.791 0.300 1 112 17 17 ASN H H 8.204 0.030 1 113 17 17 ASN HA H 4.892 0.030 1 114 17 17 ASN HB2 H 2.750 0.030 2 115 17 17 ASN HB3 H 2.699 0.030 2 116 17 17 ASN HD21 H 7.451 0.030 2 117 17 17 ASN HD22 H 6.755 0.030 2 118 17 17 ASN C C 174.746 0.300 1 119 17 17 ASN CA C 53.072 0.300 1 120 17 17 ASN CB C 39.072 0.300 1 121 17 17 ASN N N 118.998 0.300 1 122 17 17 ASN ND2 N 112.333 0.300 1 123 18 18 ARG H H 8.826 0.030 1 124 18 18 ARG HA H 4.592 0.030 1 125 18 18 ARG HB2 H 1.969 0.030 2 126 18 18 ARG HB3 H 1.786 0.030 2 127 18 18 ARG HD2 H 3.232 0.030 1 128 18 18 ARG HD3 H 3.232 0.030 1 129 18 18 ARG HG2 H 1.723 0.030 1 130 18 18 ARG HG3 H 1.723 0.030 1 131 18 18 ARG C C 174.853 0.300 1 132 18 18 ARG CA C 54.804 0.300 1 133 18 18 ARG CB C 32.388 0.300 1 134 18 18 ARG CD C 43.322 0.300 1 135 18 18 ARG CG C 26.433 0.300 1 136 18 18 ARG N N 121.690 0.300 1 137 19 19 LYS H H 8.461 0.030 1 138 19 19 LYS HA H 5.279 0.030 1 139 19 19 LYS HB2 H 1.772 0.030 2 140 19 19 LYS HB3 H 1.593 0.030 2 141 19 19 LYS HD2 H 1.618 0.030 2 142 19 19 LYS HD3 H 1.502 0.030 2 143 19 19 LYS HE2 H 2.902 0.030 1 144 19 19 LYS HE3 H 2.902 0.030 1 145 19 19 LYS HG2 H 1.494 0.030 2 146 19 19 LYS HG3 H 1.407 0.030 2 147 19 19 LYS C C 175.763 0.300 1 148 19 19 LYS CA C 54.072 0.300 1 149 19 19 LYS CB C 35.038 0.300 1 150 19 19 LYS CD C 28.589 0.300 1 151 19 19 LYS CE C 42.047 0.300 1 152 19 19 LYS CG C 24.865 0.300 1 153 19 19 LYS N N 119.746 0.300 1 154 20 20 ALA H H 9.048 0.030 1 155 20 20 ALA HA H 5.090 0.030 1 156 20 20 ALA HB H 1.110 0.030 1 157 20 20 ALA C C 174.321 0.300 1 158 20 20 ALA CA C 50.299 0.300 1 159 20 20 ALA CB C 24.632 0.300 1 160 20 20 ALA N N 121.614 0.300 1 161 21 21 ARG H H 8.980 0.030 1 162 21 21 ARG HA H 5.077 0.030 1 163 21 21 ARG HB2 H 1.822 0.030 2 164 21 21 ARG HB3 H 1.654 0.030 2 165 21 21 ARG HD2 H 3.257 0.030 2 166 21 21 ARG HD3 H 3.100 0.030 2 167 21 21 ARG HE H 7.181 0.030 1 168 21 21 ARG HG2 H 1.391 0.030 1 169 21 21 ARG HG3 H 1.391 0.030 1 170 21 21 ARG C C 175.262 0.300 1 171 21 21 ARG CA C 53.797 0.300 1 172 21 21 ARG CB C 32.890 0.300 1 173 21 21 ARG CD C 42.967 0.300 1 174 21 21 ARG CG C 27.731 0.300 1 175 21 21 ARG N N 122.213 0.300 1 176 21 21 ARG NE N 82.768 0.300 1 177 22 22 VAL H H 8.963 0.030 1 178 22 22 VAL HA H 4.128 0.030 1 179 22 22 VAL HB H 2.264 0.030 1 180 22 22 VAL HG1 H 0.931 0.030 1 181 22 22 VAL HG2 H 0.973 0.030 1 182 22 22 VAL C C 177.794 0.300 1 183 22 22 VAL CA C 62.646 0.300 1 184 22 22 VAL CB C 31.771 0.300 1 185 22 22 VAL CG1 C 24.316 0.300 2 186 22 22 VAL CG2 C 22.865 0.300 2 187 22 22 VAL N N 127.286 0.300 1 188 23 23 LEU H H 9.218 0.030 1 189 23 23 LEU HA H 3.884 0.030 1 190 23 23 LEU HB2 H 0.792 0.030 2 191 23 23 LEU HB3 H 0.313 0.030 2 192 23 23 LEU HD1 H 0.581 0.030 1 193 23 23 LEU HD2 H 0.573 0.030 1 194 23 23 LEU HG H 1.223 0.030 1 195 23 23 LEU C C 176.208 0.300 1 196 23 23 LEU CA C 56.396 0.300 1 197 23 23 LEU CB C 42.947 0.300 1 198 23 23 LEU CD1 C 25.157 0.300 2 199 23 23 LEU CD2 C 21.882 0.300 2 200 23 23 LEU CG C 26.399 0.300 1 201 23 23 LEU N N 128.983 0.300 1 202 24 24 TYR H H 6.815 0.030 1 203 24 24 TYR HA H 4.858 0.030 1 204 24 24 TYR HB2 H 3.301 0.030 2 205 24 24 TYR HB3 H 2.657 0.030 2 206 24 24 TYR HD1 H 6.674 0.030 1 207 24 24 TYR HD2 H 6.674 0.030 1 208 24 24 TYR HE1 H 6.605 0.030 1 209 24 24 TYR HE2 H 6.605 0.030 1 210 24 24 TYR C C 172.570 0.300 1 211 24 24 TYR CA C 53.620 0.300 1 212 24 24 TYR CB C 41.521 0.300 1 213 24 24 TYR CD1 C 133.278 0.300 1 214 24 24 TYR CD2 C 133.278 0.300 1 215 24 24 TYR CE1 C 117.141 0.300 1 216 24 24 TYR CE2 C 117.141 0.300 1 217 24 24 TYR N N 113.611 0.300 1 218 25 25 ASP H H 8.380 0.030 1 219 25 25 ASP HA H 4.464 0.030 1 220 25 25 ASP HB2 H 2.787 0.030 2 221 25 25 ASP HB3 H 2.559 0.030 2 222 25 25 ASP C C 175.952 0.300 1 223 25 25 ASP CA C 54.956 0.300 1 224 25 25 ASP CB C 40.922 0.300 1 225 25 25 ASP N N 118.472 0.300 1 226 26 26 TYR H H 8.715 0.030 1 227 26 26 TYR HA H 4.678 0.030 1 228 26 26 TYR HB2 H 2.799 0.030 2 229 26 26 TYR HB3 H 2.415 0.030 2 230 26 26 TYR HD1 H 6.838 0.030 1 231 26 26 TYR HD2 H 6.838 0.030 1 232 26 26 TYR HE1 H 6.779 0.030 1 233 26 26 TYR HE2 H 6.779 0.030 1 234 26 26 TYR C C 173.944 0.300 1 235 26 26 TYR CA C 57.655 0.300 1 236 26 26 TYR CB C 42.390 0.300 1 237 26 26 TYR CD1 C 131.843 0.300 1 238 26 26 TYR CD2 C 131.843 0.300 1 239 26 26 TYR CE1 C 117.096 0.300 1 240 26 26 TYR CE2 C 117.096 0.300 1 241 26 26 TYR N N 120.392 0.300 1 242 27 27 ASP H H 7.811 0.030 1 243 27 27 ASP HA H 4.717 0.030 1 244 27 27 ASP HB2 H 2.312 0.030 2 245 27 27 ASP HB3 H 2.231 0.030 2 246 27 27 ASP C C 172.953 0.300 1 247 27 27 ASP CA C 52.128 0.300 1 248 27 27 ASP CB C 41.123 0.300 1 249 27 27 ASP N N 128.776 0.300 1 250 28 28 ALA H H 8.102 0.030 1 251 28 28 ALA HA H 4.008 0.030 1 252 28 28 ALA HB H 1.287 0.030 1 253 28 28 ALA C C 178.977 0.300 1 254 28 28 ALA CA C 52.422 0.300 1 255 28 28 ALA CB C 20.015 0.300 1 256 28 28 ALA N N 125.714 0.300 1 257 29 29 ALA H H 8.990 0.030 1 258 29 29 ALA HA H 4.125 0.030 1 259 29 29 ALA HB H 1.482 0.030 1 260 29 29 ALA C C 177.699 0.300 1 261 29 29 ALA CA C 52.831 0.300 1 262 29 29 ALA CB C 19.899 0.300 1 263 29 29 ALA N N 125.863 0.300 1 264 30 30 ASN H H 7.361 0.030 1 265 30 30 ASN HA H 4.629 0.030 1 266 30 30 ASN HB2 H 3.084 0.030 2 267 30 30 ASN HB3 H 2.981 0.030 2 268 30 30 ASN HD21 H 7.117 0.030 2 269 30 30 ASN HD22 H 7.803 0.030 2 270 30 30 ASN C C 175.695 0.300 1 271 30 30 ASN CA C 51.754 0.300 1 272 30 30 ASN CB C 39.478 0.300 1 273 30 30 ASN N N 108.115 0.300 1 274 30 30 ASN ND2 N 118.520 0.300 1 275 31 31 SER HA H 4.412 0.030 1 276 31 31 SER HB2 H 4.135 0.030 2 277 31 31 SER HB3 H 3.960 0.030 2 278 31 31 SER C C 174.950 0.300 1 279 31 31 SER CA C 60.564 0.300 1 280 31 31 SER CB C 62.991 0.300 1 281 32 32 THR H H 8.699 0.030 1 282 32 32 THR HA H 4.502 0.030 1 283 32 32 THR HB H 4.296 0.030 1 284 32 32 THR HG2 H 1.171 0.030 1 285 32 32 THR C C 174.764 0.300 1 286 32 32 THR CA C 62.405 0.300 1 287 32 32 THR CB C 69.064 0.300 1 288 32 32 THR CG2 C 21.524 0.300 1 289 32 32 THR N N 112.266 0.300 1 290 33 33 GLU H H 7.606 0.030 1 291 33 33 GLU HA H 5.122 0.030 1 292 33 33 GLU HB2 H 2.466 0.030 2 293 33 33 GLU HB3 H 2.047 0.030 2 294 33 33 GLU HG2 H 2.148 0.030 2 295 33 33 GLU HG3 H 1.935 0.030 2 296 33 33 GLU C C 174.971 0.300 1 297 33 33 GLU CA C 54.405 0.300 1 298 33 33 GLU CB C 33.214 0.300 1 299 33 33 GLU CG C 35.896 0.300 1 300 33 33 GLU N N 122.659 0.300 1 301 34 34 LEU H H 7.980 0.030 1 302 34 34 LEU HA H 4.558 0.030 1 303 34 34 LEU HB2 H 1.507 0.030 2 304 34 34 LEU HB3 H 1.026 0.030 2 305 34 34 LEU HD1 H 0.666 0.030 1 306 34 34 LEU HD2 H 0.597 0.030 1 307 34 34 LEU HG H 1.398 0.030 1 308 34 34 LEU C C 176.036 0.300 1 309 34 34 LEU CA C 53.314 0.300 1 310 34 34 LEU CB C 44.089 0.300 1 311 34 34 LEU CD1 C 24.564 0.300 2 312 34 34 LEU CD2 C 23.575 0.300 2 313 34 34 LEU CG C 25.905 0.300 1 314 34 34 LEU N N 121.041 0.300 1 315 35 35 SER H H 7.975 0.030 1 316 35 35 SER HA H 4.898 0.030 1 317 35 35 SER HB2 H 4.190 0.030 2 318 35 35 SER HB3 H 3.812 0.030 2 319 35 35 SER C C 173.883 0.300 1 320 35 35 SER CA C 58.922 0.300 1 321 35 35 SER CB C 63.538 0.300 1 322 35 35 SER N N 116.690 0.300 1 323 36 36 LEU H H 9.565 0.030 1 324 36 36 LEU HA H 4.827 0.030 1 325 36 36 LEU HB2 H 1.806 0.030 1 326 36 36 LEU HB3 H 1.806 0.030 1 327 36 36 LEU HD1 H 0.827 0.030 1 328 36 36 LEU HD2 H 0.841 0.030 1 329 36 36 LEU HG H 1.927 0.030 1 330 36 36 LEU C C 176.391 0.300 1 331 36 36 LEU CA C 53.538 0.300 1 332 36 36 LEU CB C 47.479 0.300 1 333 36 36 LEU CD1 C 24.871 0.300 2 334 36 36 LEU CD2 C 23.299 0.300 2 335 36 36 LEU CG C 25.547 0.300 1 336 36 36 LEU N N 121.677 0.300 1 337 37 37 LEU H H 9.199 0.030 1 338 37 37 LEU HA H 4.947 0.030 1 339 37 37 LEU HB2 H 1.473 0.030 2 340 37 37 LEU HB3 H 1.426 0.030 2 341 37 37 LEU HD1 H 0.886 0.030 1 342 37 37 LEU HD2 H 0.867 0.030 1 343 37 37 LEU HG H 1.506 0.030 1 344 37 37 LEU C C 175.753 0.300 1 345 37 37 LEU CA C 52.530 0.300 1 346 37 37 LEU CB C 44.189 0.300 1 347 37 37 LEU CD1 C 25.236 0.300 2 348 37 37 LEU CD2 C 23.731 0.300 2 349 37 37 LEU CG C 26.731 0.300 1 350 37 37 LEU N N 124.923 0.300 1 351 38 38 ALA H H 9.003 0.030 1 352 38 38 ALA HA H 3.327 0.030 1 353 38 38 ALA HB H 1.209 0.030 1 354 38 38 ALA C C 177.865 0.300 1 355 38 38 ALA CA C 53.655 0.300 1 356 38 38 ALA CB C 18.001 0.300 1 357 38 38 ALA N N 123.079 0.300 1 358 39 39 ASP H H 8.971 0.030 1 359 39 39 ASP HA H 4.196 0.030 1 360 39 39 ASP HB2 H 3.099 0.030 2 361 39 39 ASP HB3 H 2.832 0.030 2 362 39 39 ASP C C 176.188 0.300 1 363 39 39 ASP CA C 56.888 0.300 1 364 39 39 ASP CB C 39.439 0.300 1 365 39 39 ASP N N 115.091 0.300 1 366 40 40 GLU H H 7.955 0.030 1 367 40 40 GLU HA H 4.439 0.030 1 368 40 40 GLU HB2 H 2.341 0.030 2 369 40 40 GLU HB3 H 1.881 0.030 2 370 40 40 GLU HG2 H 2.659 0.030 2 371 40 40 GLU HG3 H 2.152 0.030 2 372 40 40 GLU C C 174.155 0.300 1 373 40 40 GLU CA C 56.762 0.300 1 374 40 40 GLU CB C 30.598 0.300 1 375 40 40 GLU CG C 36.950 0.300 1 376 40 40 GLU N N 120.560 0.300 1 377 41 41 VAL H H 8.309 0.030 1 378 41 41 VAL HA H 5.144 0.030 1 379 41 41 VAL HB H 1.903 0.030 1 380 41 41 VAL HG1 H 0.904 0.030 1 381 41 41 VAL HG2 H 0.870 0.030 1 382 41 41 VAL C C 177.188 0.300 1 383 41 41 VAL CA C 61.128 0.300 1 384 41 41 VAL CB C 32.922 0.300 1 385 41 41 VAL CG1 C 21.140 0.300 2 386 41 41 VAL CG2 C 21.515 0.300 2 387 41 41 VAL N N 120.585 0.300 1 388 42 42 ILE H H 9.066 0.030 1 389 42 42 ILE HA H 5.032 0.030 1 390 42 42 ILE HB H 2.047 0.030 1 391 42 42 ILE HD1 H 0.650 0.030 1 392 42 42 ILE HG12 H 0.886 0.030 2 393 42 42 ILE HG13 H 1.258 0.030 2 394 42 42 ILE HG2 H 0.819 0.030 1 395 42 42 ILE C C 174.727 0.300 1 396 42 42 ILE CA C 58.964 0.300 1 397 42 42 ILE CB C 41.598 0.300 1 398 42 42 ILE CD1 C 14.923 0.300 1 399 42 42 ILE CG1 C 25.240 0.300 1 400 42 42 ILE CG2 C 17.442 0.300 1 401 42 42 ILE N N 121.750 0.300 1 402 43 43 THR H H 7.929 0.030 1 403 43 43 THR HA H 5.105 0.030 1 404 43 43 THR HB H 4.163 0.030 1 405 43 43 THR HG2 H 1.230 0.030 1 406 43 43 THR C C 173.905 0.300 1 407 43 43 THR CA C 62.021 0.300 1 408 43 43 THR CB C 70.089 0.300 1 409 43 43 THR CG2 C 22.365 0.300 1 410 43 43 THR N N 117.196 0.300 1 411 44 44 VAL H H 8.848 0.030 1 412 44 44 VAL HA H 5.775 0.030 1 413 44 44 VAL HB H 1.939 0.030 1 414 44 44 VAL HG1 H 0.689 0.030 1 415 44 44 VAL HG2 H 0.554 0.030 1 416 44 44 VAL C C 175.044 0.300 1 417 44 44 VAL CA C 57.856 0.300 1 418 44 44 VAL CB C 36.163 0.300 1 419 44 44 VAL CG1 C 22.598 0.300 2 420 44 44 VAL CG2 C 18.503 0.300 2 421 44 44 VAL N N 116.274 0.300 1 422 45 45 PHE H H 8.765 0.030 1 423 45 45 PHE HA H 4.904 0.030 1 424 45 45 PHE HB2 H 3.314 0.030 2 425 45 45 PHE HB3 H 2.996 0.030 2 426 45 45 PHE HD1 H 6.948 0.030 1 427 45 45 PHE HD2 H 6.948 0.030 1 428 45 45 PHE HE1 H 7.107 0.030 1 429 45 45 PHE HE2 H 7.107 0.030 1 430 45 45 PHE HZ H 7.101 0.030 1 431 45 45 PHE C C 173.335 0.300 1 432 45 45 PHE CA C 56.055 0.300 1 433 45 45 PHE CB C 40.396 0.300 1 434 45 45 PHE CD1 C 132.153 0.300 1 435 45 45 PHE CD2 C 132.153 0.300 1 436 45 45 PHE CE1 C 129.924 0.300 1 437 45 45 PHE CE2 C 129.924 0.300 1 438 45 45 PHE CZ C 128.765 0.300 1 439 45 45 PHE N N 115.689 0.300 1 440 46 46 SER H H 8.606 0.030 1 441 46 46 SER HA H 4.996 0.030 1 442 46 46 SER HB2 H 3.807 0.030 1 443 46 46 SER HB3 H 3.807 0.030 1 444 46 46 SER C C 174.388 0.300 1 445 46 46 SER CA C 57.013 0.300 1 446 46 46 SER CB C 64.456 0.300 1 447 46 46 SER N N 115.109 0.300 1 448 47 47 VAL H H 8.443 0.030 1 449 47 47 VAL HA H 4.426 0.030 1 450 47 47 VAL HB H 1.975 0.030 1 451 47 47 VAL HG1 H 0.952 0.030 1 452 47 47 VAL HG2 H 1.009 0.030 1 453 47 47 VAL C C 176.249 0.300 1 454 47 47 VAL CA C 60.530 0.300 1 455 47 47 VAL CB C 34.899 0.300 1 456 47 47 VAL CG1 C 21.320 0.300 2 457 47 47 VAL CG2 C 20.922 0.300 2 458 47 47 VAL N N 122.470 0.300 1 459 48 48 VAL H H 8.585 0.030 1 460 48 48 VAL HA H 3.816 0.030 1 461 48 48 VAL HB H 1.997 0.030 1 462 48 48 VAL HG1 H 0.952 0.030 1 463 48 48 VAL HG2 H 1.071 0.030 1 464 48 48 VAL C C 177.246 0.300 1 465 48 48 VAL CA C 64.512 0.300 1 466 48 48 VAL CB C 31.353 0.300 1 467 48 48 VAL CG1 C 20.595 0.300 2 468 48 48 VAL CG2 C 21.640 0.300 2 469 48 48 VAL N N 127.797 0.300 1 470 49 49 GLY H H 8.943 0.030 1 471 49 49 GLY HA2 H 4.257 0.030 2 472 49 49 GLY HA3 H 3.689 0.030 2 473 49 49 GLY C C 174.341 0.300 1 474 49 49 GLY CA C 44.771 0.300 1 475 49 49 GLY N N 115.467 0.300 1 476 50 50 MET H H 7.678 0.030 1 477 50 50 MET HA H 4.329 0.030 1 478 50 50 MET HB2 H 2.254 0.030 2 479 50 50 MET HB3 H 2.000 0.030 2 480 50 50 MET HE H 1.987 0.030 1 481 50 50 MET HG2 H 2.793 0.030 2 482 50 50 MET HG3 H 2.553 0.030 2 483 50 50 MET C C 175.842 0.300 1 484 50 50 MET CA C 55.611 0.300 1 485 50 50 MET CB C 33.382 0.300 1 486 50 50 MET CE C 16.860 0.300 1 487 50 50 MET CG C 31.589 0.300 1 488 50 50 MET N N 120.985 0.300 1 489 51 51 ASP H H 8.565 0.030 1 490 51 51 ASP HA H 4.548 0.030 1 491 51 51 ASP HB2 H 2.905 0.030 2 492 51 51 ASP HB3 H 2.737 0.030 2 493 51 51 ASP C C 176.862 0.300 1 494 51 51 ASP CA C 55.172 0.300 1 495 51 51 ASP CB C 42.240 0.300 1 496 51 51 ASP N N 126.706 0.300 1 497 52 52 SER H H 8.471 0.030 1 498 52 52 SER HA H 4.333 0.030 1 499 52 52 SER HB2 H 4.039 0.030 2 500 52 52 SER HB3 H 3.984 0.030 2 501 52 52 SER C C 174.899 0.300 1 502 52 52 SER CA C 60.663 0.300 1 503 52 52 SER CB C 63.280 0.300 1 504 52 52 SER N N 116.747 0.300 1 505 53 53 ASP H H 8.777 0.030 1 506 53 53 ASP HA H 4.635 0.030 1 507 53 53 ASP HB2 H 2.571 0.030 2 508 53 53 ASP HB3 H 2.475 0.030 2 509 53 53 ASP C C 174.988 0.300 1 510 53 53 ASP CA C 54.771 0.300 1 511 53 53 ASP CB C 39.890 0.300 1 512 53 53 ASP N N 119.940 0.300 1 513 54 54 TRP H H 8.220 0.030 1 514 54 54 TRP HA H 5.221 0.030 1 515 54 54 TRP HB2 H 3.198 0.030 2 516 54 54 TRP HB3 H 2.894 0.030 2 517 54 54 TRP HD1 H 7.191 0.030 1 518 54 54 TRP HE1 H 10.229 0.030 1 519 54 54 TRP HE3 H 7.254 0.030 1 520 54 54 TRP HH2 H 7.230 0.030 1 521 54 54 TRP HZ2 H 7.429 0.030 1 522 54 54 TRP HZ3 H 6.587 0.030 1 523 54 54 TRP C C 174.333 0.300 1 524 54 54 TRP CA C 56.146 0.300 1 525 54 54 TRP CB C 32.879 0.300 1 526 54 54 TRP CD1 C 126.785 0.300 1 527 54 54 TRP CE3 C 119.920 0.300 1 528 54 54 TRP CH2 C 124.849 0.300 1 529 54 54 TRP CZ2 C 113.828 0.300 1 530 54 54 TRP CZ3 C 119.903 0.300 1 531 54 54 TRP N N 120.907 0.300 1 532 54 54 TRP NE1 N 129.693 0.300 1 533 55 55 LEU H H 8.845 0.030 1 534 55 55 LEU HA H 4.877 0.030 1 535 55 55 LEU HB2 H 1.398 0.030 2 536 55 55 LEU HB3 H 1.122 0.030 2 537 55 55 LEU HD1 H 0.648 0.030 1 538 55 55 LEU HD2 H 0.891 0.030 1 539 55 55 LEU HG H 1.449 0.030 1 540 55 55 LEU C C 176.184 0.300 1 541 55 55 LEU CA C 52.930 0.300 1 542 55 55 LEU CB C 46.198 0.300 1 543 55 55 LEU CD1 C 26.024 0.300 2 544 55 55 LEU CD2 C 23.098 0.300 2 545 55 55 LEU CG C 26.663 0.300 1 546 55 55 LEU N N 119.858 0.300 1 547 56 56 MET H H 8.295 0.030 1 548 56 56 MET HA H 4.847 0.030 1 549 56 56 MET HB2 H 1.059 0.030 2 550 56 56 MET HB3 H 1.154 0.030 2 551 56 56 MET HE H 1.961 0.030 1 552 56 56 MET HG2 H 2.312 0.030 2 553 56 56 MET HG3 H 2.141 0.030 2 554 56 56 MET C C 174.702 0.300 1 555 56 56 MET CA C 53.410 0.300 1 556 56 56 MET CB C 30.797 0.300 1 557 56 56 MET CE C 15.784 0.300 1 558 56 56 MET CG C 32.532 0.300 1 559 56 56 MET N N 118.461 0.300 1 560 57 57 GLY H H 9.081 0.030 1 561 57 57 GLY HA2 H 5.357 0.030 2 562 57 57 GLY HA3 H 3.213 0.030 2 563 57 57 GLY C C 172.253 0.300 1 564 57 57 GLY CA C 43.530 0.300 1 565 57 57 GLY N N 111.557 0.300 1 566 58 58 GLU H H 8.693 0.030 1 567 58 58 GLU HA H 5.180 0.030 1 568 58 58 GLU HB2 H 1.997 0.030 2 569 58 58 GLU HB3 H 1.952 0.030 2 570 58 58 GLU HG2 H 2.156 0.030 2 571 58 58 GLU HG3 H 2.113 0.030 2 572 58 58 GLU C C 174.830 0.300 1 573 58 58 GLU CA C 54.922 0.300 1 574 58 58 GLU CB C 33.831 0.300 1 575 58 58 GLU CG C 36.680 0.300 1 576 58 58 GLU N N 118.292 0.300 1 577 59 59 ARG H H 8.749 0.030 1 578 59 59 ARG HA H 4.645 0.030 1 579 59 59 ARG HB2 H 1.828 0.030 2 580 59 59 ARG HB3 H 1.567 0.030 2 581 59 59 ARG HD2 H 3.227 0.030 2 582 59 59 ARG HD3 H 3.268 0.030 2 583 59 59 ARG HE H 8.277 0.030 1 584 59 59 ARG HG2 H 1.784 0.030 2 585 59 59 ARG HG3 H 1.414 0.030 2 586 59 59 ARG C C 176.188 0.300 1 587 59 59 ARG CA C 54.765 0.300 1 588 59 59 ARG CB C 32.146 0.300 1 589 59 59 ARG CD C 43.572 0.300 1 590 59 59 ARG CG C 27.271 0.300 1 591 59 59 ARG N N 126.763 0.300 1 592 59 59 ARG NE N 85.591 0.300 1 593 60 60 GLY H H 9.247 0.030 1 594 60 60 GLY HA2 H 4.008 0.030 2 595 60 60 GLY HA3 H 3.737 0.030 2 596 60 60 GLY C C 174.745 0.300 1 597 60 60 GLY CA C 47.222 0.300 1 598 61 61 ASN H H 8.888 0.030 1 599 61 61 ASN HA H 4.734 0.030 1 600 61 61 ASN HB2 H 2.927 0.030 1 601 61 61 ASN HB3 H 2.927 0.030 1 602 61 61 ASN HD21 H 7.589 0.030 2 603 61 61 ASN HD22 H 6.908 0.030 2 604 61 61 ASN C C 174.885 0.300 1 605 61 61 ASN CA C 53.004 0.300 1 606 61 61 ASN CB C 38.214 0.300 1 607 61 61 ASN ND2 N 112.098 0.300 1 608 62 62 GLN H H 8.186 0.030 1 609 62 62 GLN HA H 4.612 0.030 1 610 62 62 GLN HB2 H 2.212 0.030 2 611 62 62 GLN HB3 H 2.083 0.030 2 612 62 62 GLN HE21 H 7.624 0.030 2 613 62 62 GLN HE22 H 6.915 0.030 2 614 62 62 GLN HG2 H 2.460 0.030 2 615 62 62 GLN HG3 H 2.369 0.030 2 616 62 62 GLN C C 174.248 0.300 1 617 62 62 GLN CA C 55.106 0.300 1 618 62 62 GLN CB C 31.257 0.300 1 619 62 62 GLN CG C 34.024 0.300 1 620 62 62 GLN N N 120.278 0.300 1 621 62 62 GLN NE2 N 112.596 0.300 1 622 63 63 LYS H H 8.404 0.030 1 623 63 63 LYS HA H 5.597 0.030 1 624 63 63 LYS HB2 H 1.860 0.030 2 625 63 63 LYS HB3 H 1.763 0.030 2 626 63 63 LYS HD2 H 1.722 0.030 2 627 63 63 LYS HD3 H 1.686 0.030 2 628 63 63 LYS HE2 H 2.953 0.030 1 629 63 63 LYS HE3 H 2.953 0.030 1 630 63 63 LYS HG2 H 1.450 0.030 1 631 63 63 LYS HG3 H 1.450 0.030 1 632 63 63 LYS C C 176.248 0.300 1 633 63 63 LYS CA C 54.305 0.300 1 634 63 63 LYS CB C 36.305 0.300 1 635 63 63 LYS CD C 29.490 0.300 1 636 63 63 LYS CE C 41.887 0.300 1 637 63 63 LYS CG C 24.666 0.300 1 638 63 63 LYS N N 121.252 0.300 1 639 64 64 GLY H H 8.623 0.030 1 640 64 64 GLY HA2 H 4.046 0.030 2 641 64 64 GLY HA3 H 3.748 0.030 2 642 64 64 GLY C C 170.971 0.300 1 643 64 64 GLY CA C 45.155 0.300 1 644 64 64 GLY N N 109.258 0.300 1 645 65 65 LYS H H 9.070 0.030 1 646 65 65 LYS HA H 5.053 0.030 1 647 65 65 LYS HB2 H 1.889 0.030 2 648 65 65 LYS HB3 H 1.565 0.030 2 649 65 65 LYS HD2 H 1.273 0.030 2 650 65 65 LYS HD3 H 1.109 0.030 2 651 65 65 LYS HE2 H 2.164 0.030 2 652 65 65 LYS HE3 H 2.072 0.030 2 653 65 65 LYS HG2 H 1.516 0.030 2 654 65 65 LYS HG3 H 1.380 0.030 2 655 65 65 LYS C C 176.666 0.300 1 656 65 65 LYS CA C 57.246 0.300 1 657 65 65 LYS CB C 34.163 0.300 1 658 65 65 LYS CD C 29.166 0.300 1 659 65 65 LYS CE C 40.797 0.300 1 660 65 65 LYS CG C 25.288 0.300 1 661 65 65 LYS N N 120.565 0.300 1 662 66 66 VAL H H 9.419 0.030 1 663 66 66 VAL HA H 5.083 0.030 1 664 66 66 VAL HB H 1.741 0.030 1 665 66 66 VAL HG1 H 0.988 0.030 1 666 66 66 VAL HG2 H 0.653 0.030 1 667 66 66 VAL C C 172.511 0.300 1 668 66 66 VAL CA C 56.236 0.300 1 669 66 66 VAL CB C 33.771 0.300 1 670 66 66 VAL CG1 C 24.581 0.300 2 671 66 66 VAL CG2 C 19.007 0.300 2 672 66 66 VAL N N 112.773 0.300 1 673 67 67 PRO HA H 3.725 0.030 1 674 67 67 PRO HB2 H 1.327 0.030 2 675 67 67 PRO HB3 H 0.706 0.030 2 676 67 67 PRO HD2 H 2.748 0.030 2 677 67 67 PRO HD3 H 3.046 0.030 2 678 67 67 PRO HG2 H 0.951 0.030 2 679 67 67 PRO HG3 H 0.164 0.030 2 680 67 67 PRO C C 178.820 0.300 1 681 67 67 PRO CA C 60.896 0.300 1 682 67 67 PRO CB C 30.072 0.300 1 683 67 67 PRO CD C 49.891 0.300 1 684 67 67 PRO CG C 25.640 0.300 1 685 68 68 ILE H H 7.841 0.030 1 686 68 68 ILE HA H 3.580 0.030 1 687 68 68 ILE HB H 1.540 0.030 1 688 68 68 ILE HD1 H 0.862 0.030 1 689 68 68 ILE HG12 H 1.306 0.030 2 690 68 68 ILE HG13 H 1.149 0.030 2 691 68 68 ILE HG2 H 0.865 0.030 1 692 68 68 ILE C C 177.490 0.300 1 693 68 68 ILE CA C 64.845 0.300 1 694 68 68 ILE CB C 38.524 0.300 1 695 68 68 ILE CD1 C 17.625 0.300 1 696 68 68 ILE CG1 C 28.757 0.300 1 697 68 68 ILE CG2 C 14.093 0.300 1 698 68 68 ILE N N 123.159 0.300 1 699 69 69 THR H H 7.769 0.030 1 700 69 69 THR HA H 4.126 0.030 1 701 69 69 THR HB H 4.313 0.030 1 702 69 69 THR HG2 H 1.237 0.030 1 703 69 69 THR C C 175.406 0.300 1 704 69 69 THR CA C 63.106 0.300 1 705 69 69 THR CB C 68.655 0.300 1 706 69 69 THR CG2 C 22.394 0.300 1 707 69 69 THR N N 109.835 0.300 1 708 70 70 TYR H H 7.634 0.030 1 709 70 70 TYR HA H 4.471 0.030 1 710 70 70 TYR HB2 H 3.377 0.030 2 711 70 70 TYR HB3 H 2.789 0.030 2 712 70 70 TYR HD1 H 7.223 0.030 1 713 70 70 TYR HD2 H 7.223 0.030 1 714 70 70 TYR HE1 H 6.923 0.030 1 715 70 70 TYR HE2 H 6.923 0.030 1 716 70 70 TYR C C 173.779 0.300 1 717 70 70 TYR CA C 58.456 0.300 1 718 70 70 TYR CB C 37.388 0.300 1 719 70 70 TYR CD1 C 132.420 0.300 1 720 70 70 TYR CD2 C 132.420 0.300 1 721 70 70 TYR CE1 C 117.679 0.300 1 722 70 70 TYR CE2 C 117.679 0.300 1 723 70 70 TYR N N 120.516 0.300 1 724 71 71 LEU H H 7.457 0.030 1 725 71 71 LEU HA H 5.118 0.030 1 726 71 71 LEU HB2 H 1.724 0.030 2 727 71 71 LEU HB3 H 1.017 0.030 2 728 71 71 LEU HD1 H 0.557 0.030 1 729 71 71 LEU HD2 H 0.560 0.030 1 730 71 71 LEU HG H 1.712 0.030 1 731 71 71 LEU C C 175.707 0.300 1 732 71 71 LEU CA C 53.356 0.300 1 733 71 71 LEU CB C 45.578 0.300 1 734 71 71 LEU CD1 C 26.430 0.300 2 735 71 71 LEU CD2 C 22.907 0.300 2 736 71 71 LEU CG C 25.524 0.300 1 737 71 71 LEU N N 118.092 0.300 1 738 72 72 GLU H H 9.101 0.030 1 739 72 72 GLU HA H 4.561 0.030 1 740 72 72 GLU HB2 H 1.996 0.030 2 741 72 72 GLU HB3 H 1.796 0.030 2 742 72 72 GLU HG2 H 2.146 0.030 2 743 72 72 GLU HG3 H 1.943 0.030 2 744 72 72 GLU C C 175.638 0.300 1 745 72 72 GLU CA C 54.370 0.300 1 746 72 72 GLU CB C 32.024 0.300 1 747 72 72 GLU CG C 35.890 0.300 1 748 72 72 GLU N N 121.885 0.300 1 749 73 73 LEU H H 8.818 0.030 1 750 73 73 LEU HA H 4.289 0.030 1 751 73 73 LEU HB2 H 1.742 0.030 2 752 73 73 LEU HB3 H 1.414 0.030 2 753 73 73 LEU HD1 H 0.845 0.030 1 754 73 73 LEU HD2 H 0.697 0.030 1 755 73 73 LEU HG H 1.675 0.030 1 756 73 73 LEU C C 177.245 0.300 1 757 73 73 LEU CA C 55.513 0.300 1 758 73 73 LEU CB C 40.589 0.300 1 759 73 73 LEU CD1 C 24.976 0.300 2 760 73 73 LEU CD2 C 23.325 0.300 2 761 73 73 LEU CG C 27.464 0.300 1 762 73 73 LEU N N 128.116 0.300 1 763 74 74 LEU H H 8.456 0.030 1 764 74 74 LEU HA H 4.469 0.030 1 765 74 74 LEU HB2 H 1.600 0.030 2 766 74 74 LEU HB3 H 1.486 0.030 2 767 74 74 LEU HD1 H 0.828 0.030 1 768 74 74 LEU HD2 H 0.797 0.030 1 769 74 74 LEU HG H 1.659 0.030 1 770 74 74 LEU C C 177.530 0.300 1 771 74 74 LEU CA C 54.223 0.300 1 772 74 74 LEU CB C 41.814 0.300 1 773 74 74 LEU CD1 C 25.515 0.300 2 774 74 74 LEU CD2 C 22.416 0.300 2 775 74 74 LEU CG C 26.913 0.300 1 776 74 74 LEU N N 123.680 0.300 1 777 75 75 ASN H H 8.730 0.030 1 778 75 75 ASN HA H 4.485 0.030 1 779 75 75 ASN HB2 H 2.869 0.030 2 780 75 75 ASN HB3 H 2.771 0.030 2 781 75 75 ASN HD21 H 7.633 0.030 2 782 75 75 ASN HD22 H 6.922 0.030 2 783 75 75 ASN C C 175.182 0.300 1 784 75 75 ASN CA C 53.260 0.300 1 785 75 75 ASN CB C 38.875 0.300 1 786 75 75 ASN ND2 N 113.188 0.300 1 787 76 76 SER HA H 4.519 0.030 1 788 76 76 SER HB2 H 3.898 0.030 1 789 76 76 SER HB3 H 3.898 0.030 1 790 76 76 SER C C 174.488 0.300 1 791 76 76 SER CA C 58.076 0.300 1 792 76 76 SER CB C 63.666 0.300 1 793 77 77 GLY H H 8.331 0.030 1 794 77 77 GLY HA2 H 4.160 0.030 2 795 77 77 GLY HA3 H 4.120 0.030 2 796 77 77 GLY C C 171.843 0.300 1 797 77 77 GLY CA C 44.405 0.300 1 798 77 77 GLY N N 110.709 0.300 1 799 78 78 PRO HA H 4.483 0.030 1 800 78 78 PRO HB2 H 2.299 0.030 2 801 78 78 PRO HB3 H 1.982 0.030 2 802 78 78 PRO HD2 H 3.633 0.030 1 803 78 78 PRO HD3 H 3.633 0.030 1 804 78 78 PRO HG2 H 2.023 0.030 1 805 78 78 PRO HG3 H 2.023 0.030 1 806 78 78 PRO C C 177.378 0.300 1 807 78 78 PRO CA C 63.013 0.300 1 808 78 78 PRO CB C 32.007 0.300 1 809 78 78 PRO CD C 49.551 0.300 1 810 78 78 PRO CG C 26.947 0.300 1 811 79 79 SER HA H 4.476 0.030 1 812 79 79 SER HB2 H 3.906 0.030 1 813 79 79 SER HB3 H 3.906 0.030 1 814 79 79 SER C C 174.638 0.300 1 815 79 79 SER CA C 58.368 0.300 1 816 79 79 SER CB C 63.898 0.300 1 817 80 80 SER HA H 4.512 0.030 1 818 80 80 SER HB2 H 3.906 0.030 1 819 80 80 SER HB3 H 3.906 0.030 1 820 80 80 SER C C 173.929 0.300 1 821 80 80 SER CA C 58.438 0.300 1 822 80 80 SER CB C 64.107 0.300 1 823 81 81 GLY H H 8.048 0.030 1 824 81 81 GLY HA2 H 3.781 0.030 1 825 81 81 GLY HA3 H 3.781 0.030 1 826 81 81 GLY C C 178.985 0.300 1 827 81 81 GLY CA C 46.222 0.300 1 828 81 81 GLY N N 116.849 0.300 1 stop_ save_