data_11179 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SH3 domain of SH3-domain kinase binding protein 1 ; _BMRB_accession_number 11179 _BMRB_flat_file_name bmr11179.str _Entry_type original _Submission_date 2010-07-21 _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 Inoue K. . . 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" 387 "13C chemical shifts" 288 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the SH3 domain of SH3-domain kinase binding protein 1' _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 Inoue K. . . 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 kinase binding protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 domain' $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 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; GSSGSSGRRCQVAFSYLPQN DDELELKVGDIIEVVGEVEE GWWEGVLNGKTGMFPSNFIK ELSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 ARG 10 CYS 11 GLN 12 VAL 13 ALA 14 PHE 15 SER 16 TYR 17 LEU 18 PRO 19 GLN 20 ASN 21 ASP 22 ASP 23 GLU 24 LEU 25 GLU 26 LEU 27 LYS 28 VAL 29 GLY 30 ASP 31 ILE 32 ILE 33 GLU 34 VAL 35 VAL 36 GLY 37 GLU 38 VAL 39 GLU 40 GLU 41 GLY 42 TRP 43 TRP 44 GLU 45 GLY 46 VAL 47 LEU 48 ASN 49 GLY 50 LYS 51 THR 52 GLY 53 MET 54 PHE 55 PRO 56 SER 57 ASN 58 PHE 59 ILE 60 LYS 61 GLU 62 LEU 63 SER 64 GLY 65 PRO 66 SER 67 SER 68 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 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 1WI7 "Solution Structure Of The Sh3 Domain Of Sh3-Domain Kinase Binding Protein 1" 100.00 68 100.00 100.00 1.40e-39 PDB 2O2O "Solution Structure Of Domain B From Human Cin85 Protein" 86.76 92 98.31 98.31 1.01e-33 GB EHB03986 "hypothetical protein GW7_14492 [Heterocephalus glaber]" 86.76 771 98.31 98.31 6.15e-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 P030128-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.61mM 13C, 15N-labeled {protein;} 20mM {PiNa;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.61 mM '[U-13C; U-15N]' PiNa 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 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.8992 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 6.0 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 13C-separated NOESY' '3D 15N-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' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.562 0.030 1 2 2 2 SER HB2 H 3.912 0.030 1 3 2 2 SER HB3 H 3.912 0.030 1 4 2 2 SER C C 174.759 0.300 1 5 2 2 SER CA C 58.335 0.300 1 6 2 2 SER CB C 64.000 0.300 1 7 3 3 SER H H 8.580 0.030 1 8 3 3 SER HA H 4.500 0.030 1 9 3 3 SER HB2 H 3.862 0.030 1 10 3 3 SER HB3 H 3.862 0.030 1 11 3 3 SER C C 175.013 0.300 1 12 3 3 SER CA C 58.652 0.300 1 13 3 3 SER CB C 63.858 0.300 1 14 3 3 SER N N 118.118 0.300 1 15 4 4 GLY H H 8.463 0.030 1 16 4 4 GLY HA2 H 3.994 0.030 1 17 4 4 GLY HA3 H 3.994 0.030 1 18 4 4 GLY C C 174.183 0.300 1 19 4 4 GLY CA C 45.382 0.300 1 20 4 4 GLY N N 110.961 0.300 1 21 5 5 SER H H 8.256 0.030 1 22 5 5 SER HA H 4.499 0.030 1 23 5 5 SER HB2 H 3.815 0.030 1 24 5 5 SER HB3 H 3.815 0.030 1 25 5 5 SER C C 174.690 0.300 1 26 5 5 SER CA C 58.311 0.300 1 27 5 5 SER CB C 64.015 0.300 1 28 5 5 SER N N 115.725 0.300 1 29 6 6 SER H H 8.438 0.030 1 30 6 6 SER HA H 4.463 0.030 1 31 6 6 SER HB2 H 3.886 0.030 1 32 6 6 SER HB3 H 3.886 0.030 1 33 6 6 SER C C 174.947 0.300 1 34 6 6 SER CA C 58.690 0.300 1 35 6 6 SER CB C 64.003 0.300 1 36 6 6 SER N N 117.923 0.300 1 37 7 7 GLY H H 8.558 0.030 1 38 7 7 GLY HA2 H 4.005 0.030 1 39 7 7 GLY HA3 H 4.005 0.030 1 40 7 7 GLY C C 173.570 0.300 1 41 7 7 GLY CA C 45.323 0.300 1 42 7 7 GLY N N 111.051 0.300 1 43 8 8 ARG H H 8.244 0.030 1 44 8 8 ARG HA H 4.511 0.030 1 45 8 8 ARG HB2 H 1.765 0.030 2 46 8 8 ARG HB3 H 1.835 0.030 2 47 8 8 ARG HD2 H 2.980 0.030 2 48 8 8 ARG HD3 H 3.090 0.030 2 49 8 8 ARG HE H 7.750 0.030 1 50 8 8 ARG HG2 H 1.614 0.030 2 51 8 8 ARG HG3 H 1.523 0.030 2 52 8 8 ARG C C 175.279 0.300 1 53 8 8 ARG CA C 55.913 0.300 1 54 8 8 ARG CB C 31.753 0.300 1 55 8 8 ARG CD C 43.715 0.300 1 56 8 8 ARG CG C 27.195 0.300 1 57 8 8 ARG N N 121.174 0.300 1 58 8 8 ARG NE N 84.524 0.300 1 59 9 9 ARG H H 8.749 0.030 1 60 9 9 ARG HA H 5.389 0.030 1 61 9 9 ARG HB2 H 1.763 0.030 2 62 9 9 ARG HB3 H 1.685 0.030 2 63 9 9 ARG HD2 H 3.150 0.030 1 64 9 9 ARG HD3 H 3.150 0.030 1 65 9 9 ARG HE H 7.369 0.030 1 66 9 9 ARG HG2 H 1.689 0.030 2 67 9 9 ARG HG3 H 1.544 0.030 2 68 9 9 ARG C C 175.791 0.300 1 69 9 9 ARG CA C 55.215 0.300 1 70 9 9 ARG CB C 33.475 0.300 1 71 9 9 ARG CD C 43.706 0.300 1 72 9 9 ARG CG C 28.012 0.300 1 73 9 9 ARG N N 123.402 0.300 1 74 9 9 ARG NE N 84.605 0.300 1 75 10 10 CYS H H 9.050 0.030 1 76 10 10 CYS HA H 5.081 0.030 1 77 10 10 CYS HB2 H 2.700 0.030 2 78 10 10 CYS HB3 H 3.036 0.030 2 79 10 10 CYS C C 170.916 0.300 1 80 10 10 CYS CA C 56.815 0.300 1 81 10 10 CYS CB C 32.775 0.300 1 82 10 10 CYS N N 117.665 0.300 1 83 11 11 GLN H H 9.029 0.030 1 84 11 11 GLN HA H 5.457 0.030 1 85 11 11 GLN HB2 H 1.765 0.030 2 86 11 11 GLN HB3 H 1.870 0.030 2 87 11 11 GLN HE21 H 7.556 0.030 2 88 11 11 GLN HE22 H 6.890 0.030 2 89 11 11 GLN HG2 H 2.068 0.030 1 90 11 11 GLN HG3 H 2.068 0.030 1 91 11 11 GLN C C 175.478 0.300 1 92 11 11 GLN CA C 53.498 0.300 1 93 11 11 GLN CB C 32.700 0.300 1 94 11 11 GLN CG C 33.756 0.300 1 95 11 11 GLN N N 120.860 0.300 1 96 11 11 GLN NE2 N 111.915 0.300 1 97 12 12 VAL H H 9.180 0.030 1 98 12 12 VAL HA H 3.822 0.030 1 99 12 12 VAL HB H 2.229 0.030 1 100 12 12 VAL HG1 H 0.790 0.030 1 101 12 12 VAL HG2 H 0.940 0.030 1 102 12 12 VAL C C 176.202 0.300 1 103 12 12 VAL CA C 64.787 0.300 1 104 12 12 VAL CB C 32.180 0.300 1 105 12 12 VAL CG1 C 24.777 0.300 2 106 12 12 VAL CG2 C 23.923 0.300 2 107 12 12 VAL N N 125.786 0.300 1 108 13 13 ALA H H 9.159 0.030 1 109 13 13 ALA HA H 4.249 0.030 1 110 13 13 ALA HB H 0.915 0.030 1 111 13 13 ALA C C 174.955 0.300 1 112 13 13 ALA CA C 52.508 0.300 1 113 13 13 ALA CB C 21.035 0.300 1 114 13 13 ALA N N 133.248 0.300 1 115 14 14 PHE H H 7.434 0.030 1 116 14 14 PHE HA H 4.610 0.030 1 117 14 14 PHE HB2 H 2.342 0.030 2 118 14 14 PHE HB3 H 2.968 0.030 2 119 14 14 PHE HD1 H 6.988 0.030 1 120 14 14 PHE HD2 H 6.988 0.030 1 121 14 14 PHE HE1 H 7.206 0.030 1 122 14 14 PHE HE2 H 7.206 0.030 1 123 14 14 PHE HZ H 7.192 0.030 1 124 14 14 PHE C C 172.392 0.300 1 125 14 14 PHE CA C 56.072 0.300 1 126 14 14 PHE CB C 42.800 0.300 1 127 14 14 PHE CD1 C 132.150 0.300 1 128 14 14 PHE CD2 C 132.150 0.300 1 129 14 14 PHE CE1 C 130.922 0.300 1 130 14 14 PHE CE2 C 130.922 0.300 1 131 14 14 PHE CZ C 129.497 0.300 1 132 14 14 PHE N N 116.790 0.300 1 133 15 15 SER H H 8.298 0.030 1 134 15 15 SER HA H 4.144 0.030 1 135 15 15 SER HB2 H 3.987 0.030 1 136 15 15 SER HB3 H 3.987 0.030 1 137 15 15 SER C C 173.520 0.300 1 138 15 15 SER CA C 58.611 0.300 1 139 15 15 SER CB C 64.278 0.300 1 140 15 15 SER N N 114.871 0.300 1 141 16 16 TYR H H 8.662 0.030 1 142 16 16 TYR HA H 4.727 0.030 1 143 16 16 TYR HB2 H 2.927 0.030 2 144 16 16 TYR HB3 H 2.560 0.030 2 145 16 16 TYR HD1 H 7.113 0.030 1 146 16 16 TYR HD2 H 7.113 0.030 1 147 16 16 TYR HE1 H 6.947 0.030 1 148 16 16 TYR HE2 H 6.947 0.030 1 149 16 16 TYR C C 173.180 0.300 1 150 16 16 TYR CA C 58.620 0.300 1 151 16 16 TYR CB C 42.676 0.300 1 152 16 16 TYR CD1 C 132.919 0.300 1 153 16 16 TYR CD2 C 132.919 0.300 1 154 16 16 TYR CE1 C 117.812 0.300 1 155 16 16 TYR CE2 C 117.812 0.300 1 156 16 16 TYR N N 121.374 0.300 1 157 17 17 LEU H H 7.552 0.030 1 158 17 17 LEU HA H 4.729 0.030 1 159 17 17 LEU HB2 H 1.393 0.030 2 160 17 17 LEU HB3 H 1.341 0.030 2 161 17 17 LEU HD1 H 0.834 0.030 1 162 17 17 LEU HD2 H 0.860 0.030 1 163 17 17 LEU HG H 1.533 0.030 1 164 17 17 LEU C C 173.519 0.300 1 165 17 17 LEU CA C 50.574 0.300 1 166 17 17 LEU CB C 41.758 0.300 1 167 17 17 LEU CD1 C 23.910 0.300 2 168 17 17 LEU CD2 C 25.060 0.300 2 169 17 17 LEU CG C 26.708 0.300 1 170 17 17 LEU N N 129.501 0.300 1 171 18 18 PRO HA H 4.442 0.030 1 172 18 18 PRO HB2 H 2.052 0.030 2 173 18 18 PRO HB3 H 2.257 0.030 2 174 18 18 PRO HD2 H 3.675 0.030 1 175 18 18 PRO HD3 H 3.675 0.030 1 176 18 18 PRO HG2 H 2.038 0.030 2 177 18 18 PRO HG3 H 1.968 0.030 2 178 18 18 PRO C C 178.072 0.300 1 179 18 18 PRO CA C 62.630 0.300 1 180 18 18 PRO CB C 33.799 0.300 1 181 18 18 PRO CD C 50.507 0.300 1 182 18 18 PRO CG C 27.518 0.300 1 183 19 19 GLN H H 9.137 0.030 1 184 19 19 GLN HA H 4.253 0.030 1 185 19 19 GLN HB2 H 2.076 0.030 2 186 19 19 GLN HB3 H 2.270 0.030 2 187 19 19 GLN HE21 H 6.824 0.030 2 188 19 19 GLN HE22 H 7.656 0.030 2 189 19 19 GLN HG2 H 2.405 0.030 2 190 19 19 GLN HG3 H 2.587 0.030 2 191 19 19 GLN C C 175.420 0.300 1 192 19 19 GLN CA C 55.383 0.300 1 193 19 19 GLN CB C 30.356 0.300 1 194 19 19 GLN CG C 34.410 0.300 1 195 19 19 GLN N N 119.788 0.300 1 196 19 19 GLN NE2 N 113.889 0.300 1 197 20 20 ASN H H 7.452 0.030 1 198 20 20 ASN HA H 4.731 0.030 1 199 20 20 ASN HB2 H 2.769 0.030 2 200 20 20 ASN HB3 H 2.897 0.030 2 201 20 20 ASN HD21 H 7.490 0.030 2 202 20 20 ASN HD22 H 6.647 0.030 2 203 20 20 ASN C C 175.536 0.300 1 204 20 20 ASN CA C 52.254 0.300 1 205 20 20 ASN CB C 41.329 0.300 1 206 20 20 ASN N N 113.077 0.300 1 207 20 20 ASN ND2 N 114.920 0.300 1 208 21 21 ASP H H 8.613 0.030 1 209 21 21 ASP HA H 4.567 0.030 1 210 21 21 ASP HB2 H 2.655 0.030 2 211 21 21 ASP HB3 H 2.790 0.030 2 212 21 21 ASP C C 176.166 0.300 1 213 21 21 ASP CA C 56.542 0.300 1 214 21 21 ASP CB C 40.862 0.300 1 215 21 21 ASP N N 118.043 0.300 1 216 22 22 ASP H H 8.556 0.030 1 217 22 22 ASP HA H 4.802 0.030 1 218 22 22 ASP HB2 H 2.770 0.030 2 219 22 22 ASP HB3 H 2.844 0.030 2 220 22 22 ASP C C 175.884 0.300 1 221 22 22 ASP CA C 54.379 0.300 1 222 22 22 ASP CB C 40.561 0.300 1 223 22 22 ASP N N 117.406 0.300 1 224 23 23 GLU H H 7.451 0.030 1 225 23 23 GLU HA H 5.234 0.030 1 226 23 23 GLU HB2 H 2.258 0.030 2 227 23 23 GLU HB3 H 2.524 0.030 2 228 23 23 GLU HG2 H 2.191 0.030 2 229 23 23 GLU HG3 H 2.495 0.030 2 230 23 23 GLU C C 176.175 0.300 1 231 23 23 GLU CA C 54.792 0.300 1 232 23 23 GLU CB C 33.001 0.300 1 233 23 23 GLU CG C 36.504 0.300 1 234 23 23 GLU N N 119.140 0.300 1 235 24 24 LEU H H 8.487 0.030 1 236 24 24 LEU HA H 4.423 0.030 1 237 24 24 LEU HB2 H 1.495 0.030 2 238 24 24 LEU HB3 H 1.329 0.030 2 239 24 24 LEU HD1 H 0.752 0.030 1 240 24 24 LEU HD2 H 0.799 0.030 1 241 24 24 LEU HG H 1.480 0.030 1 242 24 24 LEU C C 175.195 0.300 1 243 24 24 LEU CA C 53.833 0.300 1 244 24 24 LEU CB C 44.928 0.300 1 245 24 24 LEU CD1 C 25.641 0.300 2 246 24 24 LEU CD2 C 22.369 0.300 2 247 24 24 LEU CG C 27.046 0.300 1 248 24 24 LEU N N 120.705 0.300 1 249 25 25 GLU H H 7.934 0.030 1 250 25 25 GLU HA H 4.611 0.030 1 251 25 25 GLU HB2 H 1.845 0.030 2 252 25 25 GLU HB3 H 1.987 0.030 2 253 25 25 GLU HG2 H 1.963 0.030 2 254 25 25 GLU HG3 H 2.542 0.030 2 255 25 25 GLU C C 175.968 0.300 1 256 25 25 GLU CA C 55.615 0.300 1 257 25 25 GLU CB C 30.027 0.300 1 258 25 25 GLU CG C 36.397 0.300 1 259 25 25 GLU N N 118.591 0.300 1 260 26 26 LEU H H 8.913 0.030 1 261 26 26 LEU HA H 4.722 0.030 1 262 26 26 LEU HB2 H 2.071 0.030 2 263 26 26 LEU HB3 H 1.689 0.030 2 264 26 26 LEU HD1 H 0.519 0.030 1 265 26 26 LEU HD2 H 0.833 0.030 1 266 26 26 LEU HG H 1.914 0.030 1 267 26 26 LEU C C 176.440 0.300 1 268 26 26 LEU CA C 53.518 0.300 1 269 26 26 LEU CB C 43.131 0.300 1 270 26 26 LEU CD1 C 23.518 0.300 2 271 26 26 LEU CD2 C 25.187 0.300 2 272 26 26 LEU CG C 26.824 0.300 1 273 26 26 LEU N N 126.325 0.300 1 274 27 27 LYS H H 9.119 0.030 1 275 27 27 LYS HA H 4.622 0.030 1 276 27 27 LYS HB2 H 1.676 0.030 2 277 27 27 LYS HB3 H 1.826 0.030 2 278 27 27 LYS HD2 H 1.670 0.030 1 279 27 27 LYS HD3 H 1.670 0.030 1 280 27 27 LYS HE2 H 2.964 0.030 1 281 27 27 LYS HE3 H 2.964 0.030 1 282 27 27 LYS HG2 H 1.377 0.030 1 283 27 27 LYS HG3 H 1.377 0.030 1 284 27 27 LYS C C 175.481 0.300 1 285 27 27 LYS CA C 54.428 0.300 1 286 27 27 LYS CB C 33.730 0.300 1 287 27 27 LYS CD C 29.143 0.300 1 288 27 27 LYS CE C 42.115 0.300 1 289 27 27 LYS CG C 24.776 0.300 1 290 27 27 LYS N N 126.058 0.300 1 291 28 28 VAL H H 8.120 0.030 1 292 28 28 VAL HA H 2.949 0.030 1 293 28 28 VAL HB H 1.779 0.030 1 294 28 28 VAL HG1 H 0.789 0.030 1 295 28 28 VAL HG2 H 0.866 0.030 1 296 28 28 VAL C C 177.187 0.300 1 297 28 28 VAL CA C 65.803 0.300 1 298 28 28 VAL CB C 31.211 0.300 1 299 28 28 VAL CG1 C 20.810 0.300 2 300 28 28 VAL CG2 C 22.589 0.300 2 301 28 28 VAL N N 122.040 0.300 1 302 29 29 GLY H H 8.491 0.030 1 303 29 29 GLY HA2 H 3.492 0.030 2 304 29 29 GLY HA3 H 4.506 0.030 2 305 29 29 GLY C C 174.756 0.300 1 306 29 29 GLY CA C 44.648 0.300 1 307 29 29 GLY N N 115.524 0.300 1 308 30 30 ASP H H 8.202 0.030 1 309 30 30 ASP HA H 4.473 0.030 1 310 30 30 ASP HB2 H 2.805 0.030 2 311 30 30 ASP HB3 H 2.408 0.030 2 312 30 30 ASP C C 175.262 0.300 1 313 30 30 ASP CA C 55.834 0.300 1 314 30 30 ASP CB C 41.861 0.300 1 315 30 30 ASP N N 122.788 0.300 1 316 31 31 ILE H H 8.367 0.030 1 317 31 31 ILE HA H 4.895 0.030 1 318 31 31 ILE HB H 1.848 0.030 1 319 31 31 ILE HD1 H 0.805 0.030 1 320 31 31 ILE HG12 H 1.191 0.030 2 321 31 31 ILE HG13 H 1.647 0.030 2 322 31 31 ILE HG2 H 0.845 0.030 1 323 31 31 ILE C C 175.055 0.300 1 324 31 31 ILE CA C 59.502 0.300 1 325 31 31 ILE CB C 38.130 0.300 1 326 31 31 ILE CD1 C 11.800 0.300 1 327 31 31 ILE CG1 C 27.478 0.300 1 328 31 31 ILE CG2 C 17.532 0.300 1 329 31 31 ILE N N 120.737 0.300 1 330 32 32 ILE H H 8.735 0.030 1 331 32 32 ILE HA H 4.350 0.030 1 332 32 32 ILE HB H 1.348 0.030 1 333 32 32 ILE HD1 H -0.106 0.030 1 334 32 32 ILE HG12 H 0.554 0.030 2 335 32 32 ILE HG13 H 1.154 0.030 2 336 32 32 ILE HG2 H 0.478 0.030 1 337 32 32 ILE C C 175.154 0.300 1 338 32 32 ILE CA C 59.382 0.300 1 339 32 32 ILE CB C 42.044 0.300 1 340 32 32 ILE CD1 C 14.107 0.300 1 341 32 32 ILE CG1 C 28.030 0.300 1 342 32 32 ILE CG2 C 17.405 0.300 1 343 32 32 ILE N N 126.455 0.300 1 344 33 33 GLU H H 8.020 0.030 1 345 33 33 GLU HA H 4.756 0.030 1 346 33 33 GLU HB2 H 1.965 0.030 2 347 33 33 GLU HB3 H 2.063 0.030 2 348 33 33 GLU HG2 H 2.229 0.030 2 349 33 33 GLU HG3 H 2.063 0.030 2 350 33 33 GLU C C 175.600 0.300 1 351 33 33 GLU CA C 55.097 0.300 1 352 33 33 GLU CB C 30.429 0.300 1 353 33 33 GLU CG C 35.945 0.300 1 354 33 33 GLU N N 125.751 0.300 1 355 34 34 VAL H H 8.957 0.030 1 356 34 34 VAL HA H 4.192 0.030 1 357 34 34 VAL HB H 2.004 0.030 1 358 34 34 VAL HG1 H 0.820 0.030 1 359 34 34 VAL HG2 H 1.230 0.030 1 360 34 34 VAL C C 176.340 0.300 1 361 34 34 VAL CA C 64.587 0.300 1 362 34 34 VAL CB C 32.689 0.300 1 363 34 34 VAL CG1 C 21.613 0.300 2 364 34 34 VAL CG2 C 23.700 0.300 2 365 34 34 VAL N N 127.513 0.300 1 366 35 35 VAL H H 9.281 0.030 1 367 35 35 VAL HA H 4.335 0.030 1 368 35 35 VAL HB H 2.004 0.030 1 369 35 35 VAL HG1 H 0.874 0.030 1 370 35 35 VAL HG2 H 0.827 0.030 1 371 35 35 VAL C C 176.196 0.300 1 372 35 35 VAL CA C 62.838 0.300 1 373 35 35 VAL CB C 33.060 0.300 1 374 35 35 VAL CG1 C 21.188 0.300 2 375 35 35 VAL CG2 C 20.358 0.300 2 376 35 35 VAL N N 125.900 0.300 1 377 36 36 GLY H H 7.573 0.030 1 378 36 36 GLY HA2 H 3.877 0.030 2 379 36 36 GLY HA3 H 4.124 0.030 2 380 36 36 GLY C C 170.890 0.300 1 381 36 36 GLY CA C 45.475 0.300 1 382 36 36 GLY N N 106.624 0.300 1 383 37 37 GLU H H 8.421 0.030 1 384 37 37 GLU HA H 4.384 0.030 1 385 37 37 GLU HB2 H 1.612 0.030 2 386 37 37 GLU HB3 H 1.778 0.030 2 387 37 37 GLU HG2 H 1.312 0.030 2 388 37 37 GLU HG3 H 1.749 0.030 2 389 37 37 GLU C C 176.000 0.300 1 390 37 37 GLU CA C 55.908 0.300 1 391 37 37 GLU CB C 30.650 0.300 1 392 37 37 GLU CG C 35.730 0.300 1 393 37 37 GLU N N 120.862 0.300 1 394 38 38 VAL H H 8.407 0.030 1 395 38 38 VAL HA H 4.046 0.030 1 396 38 38 VAL HB H 1.991 0.030 1 397 38 38 VAL HG1 H 0.956 0.030 1 398 38 38 VAL HG2 H 0.916 0.030 1 399 38 38 VAL C C 175.754 0.300 1 400 38 38 VAL CA C 64.634 0.300 1 401 38 38 VAL CB C 33.287 0.300 1 402 38 38 VAL CG1 C 21.312 0.300 2 403 38 38 VAL CG2 C 21.620 0.300 2 404 38 38 VAL N N 124.343 0.300 1 405 39 39 GLU H H 8.312 0.030 1 406 39 39 GLU HA H 4.637 0.030 1 407 39 39 GLU HB2 H 2.066 0.030 2 408 39 39 GLU HB3 H 2.335 0.030 2 409 39 39 GLU HG2 H 2.228 0.030 1 410 39 39 GLU HG3 H 2.228 0.030 1 411 39 39 GLU C C 175.403 0.300 1 412 39 39 GLU CA C 54.683 0.300 1 413 39 39 GLU CB C 32.409 0.300 1 414 39 39 GLU CG C 35.715 0.300 1 415 39 39 GLU N N 116.387 0.300 1 416 40 40 GLU H H 8.974 0.030 1 417 40 40 GLU HA H 4.130 0.030 1 418 40 40 GLU HB2 H 2.037 0.030 2 419 40 40 GLU HB3 H 2.089 0.030 2 420 40 40 GLU HG2 H 2.288 0.030 1 421 40 40 GLU HG3 H 2.288 0.030 1 422 40 40 GLU C C 177.892 0.300 1 423 40 40 GLU CA C 59.346 0.300 1 424 40 40 GLU CB C 29.082 0.300 1 425 40 40 GLU CG C 35.990 0.300 1 426 40 40 GLU N N 121.939 0.300 1 427 41 41 GLY H H 8.836 0.030 1 428 41 41 GLY HA2 H 3.609 0.030 2 429 41 41 GLY HA3 H 3.994 0.030 2 430 41 41 GLY C C 174.839 0.300 1 431 41 41 GLY CA C 45.373 0.300 1 432 41 41 GLY N N 112.229 0.300 1 433 42 42 TRP H H 8.393 0.030 1 434 42 42 TRP HA H 4.869 0.030 1 435 42 42 TRP HB2 H 2.735 0.030 2 436 42 42 TRP HB3 H 2.940 0.030 2 437 42 42 TRP HD1 H 7.100 0.030 1 438 42 42 TRP HE1 H 9.979 0.030 1 439 42 42 TRP HE3 H 7.095 0.030 1 440 42 42 TRP HH2 H 7.195 0.030 1 441 42 42 TRP HZ2 H 7.383 0.030 1 442 42 42 TRP HZ3 H 6.541 0.030 1 443 42 42 TRP C C 174.084 0.300 1 444 42 42 TRP CA C 57.271 0.300 1 445 42 42 TRP CB C 32.295 0.300 1 446 42 42 TRP CD1 C 126.478 0.300 1 447 42 42 TRP CE3 C 119.507 0.300 1 448 42 42 TRP CH2 C 124.934 0.300 1 449 42 42 TRP CZ2 C 114.453 0.300 1 450 42 42 TRP CZ3 C 120.065 0.300 1 451 42 42 TRP N N 121.794 0.300 1 452 42 42 TRP NE1 N 129.223 0.300 1 453 43 43 TRP H H 8.535 0.030 1 454 43 43 TRP HA H 5.293 0.030 1 455 43 43 TRP HB2 H 2.034 0.030 2 456 43 43 TRP HB3 H 2.979 0.030 2 457 43 43 TRP HD1 H 7.166 0.030 1 458 43 43 TRP HE1 H 10.075 0.030 1 459 43 43 TRP HE3 H 7.463 0.030 1 460 43 43 TRP HH2 H 7.210 0.030 1 461 43 43 TRP HZ2 H 7.468 0.030 1 462 43 43 TRP HZ3 H 7.004 0.030 1 463 43 43 TRP C C 172.549 0.300 1 464 43 43 TRP CA C 52.977 0.300 1 465 43 43 TRP CB C 33.573 0.300 1 466 43 43 TRP CD1 C 122.982 0.300 1 467 43 43 TRP CE3 C 120.365 0.300 1 468 43 43 TRP CH2 C 124.780 0.300 1 469 43 43 TRP CZ2 C 114.679 0.300 1 470 43 43 TRP CZ3 C 121.677 0.300 1 471 43 43 TRP N N 125.521 0.300 1 472 43 43 TRP NE1 N 128.422 0.300 1 473 44 44 GLU H H 8.830 0.030 1 474 44 44 GLU HA H 5.240 0.030 1 475 44 44 GLU HB2 H 1.772 0.030 2 476 44 44 GLU HB3 H 1.838 0.030 2 477 44 44 GLU HG2 H 2.014 0.030 2 478 44 44 GLU HG3 H 2.132 0.030 2 479 44 44 GLU C C 176.897 0.300 1 480 44 44 GLU CA C 54.551 0.300 1 481 44 44 GLU CB C 32.349 0.300 1 482 44 44 GLU CG C 35.725 0.300 1 483 44 44 GLU N N 119.599 0.300 1 484 45 45 GLY H H 9.596 0.030 1 485 45 45 GLY HA2 H 5.303 0.030 2 486 45 45 GLY HA3 H 3.925 0.030 2 487 45 45 GLY C C 169.679 0.300 1 488 45 45 GLY CA C 45.856 0.300 1 489 45 45 GLY N N 113.542 0.300 1 490 46 46 VAL H H 8.966 0.030 1 491 46 46 VAL HA H 5.096 0.030 1 492 46 46 VAL HB H 1.956 0.030 1 493 46 46 VAL HG1 H 0.787 0.030 1 494 46 46 VAL HG2 H 0.915 0.030 1 495 46 46 VAL C C 175.851 0.300 1 496 46 46 VAL CA C 60.878 0.300 1 497 46 46 VAL CB C 34.127 0.300 1 498 46 46 VAL CG1 C 21.100 0.300 2 499 46 46 VAL CG2 C 20.865 0.300 2 500 46 46 VAL N N 118.333 0.300 1 501 47 47 LEU H H 9.186 0.030 1 502 47 47 LEU HA H 4.731 0.030 1 503 47 47 LEU HB2 H 1.238 0.030 2 504 47 47 LEU HB3 H 1.817 0.030 2 505 47 47 LEU HD1 H 0.897 0.030 1 506 47 47 LEU HD2 H 0.929 0.030 1 507 47 47 LEU HG H 1.501 0.030 1 508 47 47 LEU C C 176.101 0.300 1 509 47 47 LEU CA C 54.220 0.300 1 510 47 47 LEU CB C 46.537 0.300 1 511 47 47 LEU CD1 C 23.848 0.300 2 512 47 47 LEU CD2 C 26.450 0.300 2 513 47 47 LEU CG C 27.908 0.300 1 514 47 47 LEU N N 130.038 0.300 1 515 48 48 ASN H H 9.801 0.030 1 516 48 48 ASN HA H 4.420 0.030 1 517 48 48 ASN HB2 H 2.789 0.030 2 518 48 48 ASN HB3 H 3.051 0.030 2 519 48 48 ASN HD21 H 7.763 0.030 2 520 48 48 ASN HD22 H 7.138 0.030 2 521 48 48 ASN C C 175.437 0.300 1 522 48 48 ASN CA C 54.398 0.300 1 523 48 48 ASN CB C 37.432 0.300 1 524 48 48 ASN N N 128.184 0.300 1 525 48 48 ASN ND2 N 114.333 0.300 1 526 49 49 GLY H H 8.530 0.030 1 527 49 49 GLY HA2 H 3.561 0.030 2 528 49 49 GLY HA3 H 4.168 0.030 2 529 49 49 GLY C C 173.346 0.300 1 530 49 49 GLY CA C 45.517 0.300 1 531 49 49 GLY N N 103.023 0.300 1 532 50 50 LYS H H 7.888 0.030 1 533 50 50 LYS HA H 4.665 0.030 1 534 50 50 LYS HB2 H 1.780 0.030 2 535 50 50 LYS HB3 H 1.914 0.030 2 536 50 50 LYS HD2 H 1.763 0.030 1 537 50 50 LYS HD3 H 1.763 0.030 1 538 50 50 LYS HE2 H 3.063 0.030 1 539 50 50 LYS HE3 H 3.063 0.030 1 540 50 50 LYS HG2 H 1.313 0.030 2 541 50 50 LYS HG3 H 1.491 0.030 2 542 50 50 LYS C C 174.485 0.300 1 543 50 50 LYS CA C 55.014 0.300 1 544 50 50 LYS CB C 34.956 0.300 1 545 50 50 LYS CD C 29.380 0.300 1 546 50 50 LYS CE C 42.544 0.300 1 547 50 50 LYS CG C 25.373 0.300 1 548 50 50 LYS N N 123.459 0.300 1 549 51 51 THR H H 8.495 0.030 1 550 51 51 THR HA H 5.519 0.030 1 551 51 51 THR HB H 4.027 0.030 1 552 51 51 THR HG2 H 1.176 0.030 1 553 51 51 THR C C 175.130 0.300 1 554 51 51 THR CA C 61.013 0.300 1 555 51 51 THR CB C 69.946 0.300 1 556 51 51 THR CG2 C 21.315 0.300 1 557 51 51 THR N N 119.927 0.300 1 558 52 52 GLY H H 9.062 0.030 1 559 52 52 GLY HA2 H 4.500 0.030 2 560 52 52 GLY HA3 H 3.889 0.030 2 561 52 52 GLY C C 171.163 0.300 1 562 52 52 GLY CA C 45.838 0.300 1 563 52 52 GLY N N 112.796 0.300 1 564 53 53 MET H H 8.830 0.030 1 565 53 53 MET HA H 5.933 0.030 1 566 53 53 MET HB2 H 2.063 0.030 2 567 53 53 MET HB3 H 2.142 0.030 2 568 53 53 MET HE H 1.827 0.030 1 569 53 53 MET HG2 H 2.560 0.030 2 570 53 53 MET HG3 H 2.656 0.030 2 571 53 53 MET C C 176.565 0.300 1 572 53 53 MET CA C 54.134 0.300 1 573 53 53 MET CB C 35.608 0.300 1 574 53 53 MET CE C 16.746 0.300 1 575 53 53 MET CG C 32.098 0.300 1 576 53 53 MET N N 117.526 0.300 1 577 54 54 PHE H H 9.159 0.030 1 578 54 54 PHE HA H 5.091 0.030 1 579 54 54 PHE HB2 H 2.739 0.030 2 580 54 54 PHE HB3 H 3.065 0.030 2 581 54 54 PHE HD1 H 6.893 0.030 1 582 54 54 PHE HD2 H 6.893 0.030 1 583 54 54 PHE HE1 H 6.946 0.030 1 584 54 54 PHE HE2 H 6.946 0.030 1 585 54 54 PHE HZ H 7.296 0.030 1 586 54 54 PHE C C 170.343 0.300 1 587 54 54 PHE CA C 55.292 0.300 1 588 54 54 PHE CB C 39.500 0.300 1 589 54 54 PHE CD1 C 133.458 0.300 1 590 54 54 PHE CD2 C 133.458 0.300 1 591 54 54 PHE CE1 C 129.896 0.300 1 592 54 54 PHE CE2 C 129.896 0.300 1 593 54 54 PHE CZ C 129.147 0.300 1 594 54 54 PHE N N 116.327 0.300 1 595 55 55 PRO HA H 3.775 0.030 1 596 55 55 PRO HB2 H 1.270 0.030 2 597 55 55 PRO HB3 H 0.778 0.030 2 598 55 55 PRO HD2 H 2.701 0.030 1 599 55 55 PRO HD3 H 2.701 0.030 1 600 55 55 PRO HG2 H 0.758 0.030 2 601 55 55 PRO HG3 H 0.164 0.030 2 602 55 55 PRO C C 178.407 0.300 1 603 55 55 PRO CA C 60.593 0.300 1 604 55 55 PRO CB C 30.313 0.300 1 605 55 55 PRO CD C 50.175 0.300 1 606 55 55 PRO CG C 26.773 0.300 1 607 56 56 SER H H 7.574 0.030 1 608 56 56 SER HA H 3.040 0.030 1 609 56 56 SER HB2 H 2.187 0.030 2 610 56 56 SER HB3 H 1.615 0.030 2 611 56 56 SER C C 175.262 0.300 1 612 56 56 SER CA C 60.233 0.300 1 613 56 56 SER CB C 61.170 0.300 1 614 56 56 SER N N 120.338 0.300 1 615 57 57 ASN H H 8.407 0.030 1 616 57 57 ASN HA H 4.569 0.030 1 617 57 57 ASN HB2 H 2.599 0.030 2 618 57 57 ASN HB3 H 2.710 0.030 2 619 57 57 ASN HD21 H 6.660 0.030 2 620 57 57 ASN HD22 H 7.397 0.030 2 621 57 57 ASN C C 175.644 0.300 1 622 57 57 ASN CA C 53.947 0.300 1 623 57 57 ASN CB C 36.318 0.300 1 624 57 57 ASN N N 116.452 0.300 1 625 57 57 ASN ND2 N 112.800 0.300 1 626 58 58 PHE H H 7.614 0.030 1 627 58 58 PHE HA H 4.773 0.030 1 628 58 58 PHE HB2 H 2.968 0.030 2 629 58 58 PHE HB3 H 3.810 0.030 2 630 58 58 PHE HD1 H 7.088 0.030 1 631 58 58 PHE HD2 H 7.088 0.030 1 632 58 58 PHE HE1 H 7.370 0.030 1 633 58 58 PHE HE2 H 7.370 0.030 1 634 58 58 PHE HZ H 7.342 0.030 1 635 58 58 PHE C C 175.121 0.300 1 636 58 58 PHE CA C 57.863 0.300 1 637 58 58 PHE CB C 37.952 0.300 1 638 58 58 PHE CD1 C 130.928 0.300 1 639 58 58 PHE CD2 C 130.928 0.300 1 640 58 58 PHE CE1 C 131.158 0.300 1 641 58 58 PHE CE2 C 131.158 0.300 1 642 58 58 PHE CZ C 129.762 0.300 1 643 58 58 PHE N N 119.196 0.300 1 644 59 59 ILE H H 7.191 0.030 1 645 59 59 ILE HA H 5.112 0.030 1 646 59 59 ILE HB H 1.873 0.030 1 647 59 59 ILE HD1 H 0.758 0.030 1 648 59 59 ILE HG12 H 1.366 0.030 2 649 59 59 ILE HG13 H 1.519 0.030 2 650 59 59 ILE HG2 H 0.737 0.030 1 651 59 59 ILE C C 175.086 0.300 1 652 59 59 ILE CA C 57.877 0.300 1 653 59 59 ILE CB C 42.202 0.300 1 654 59 59 ILE CD1 C 14.449 0.300 1 655 59 59 ILE CG1 C 27.182 0.300 1 656 59 59 ILE CG2 C 21.751 0.300 1 657 59 59 ILE N N 110.998 0.300 1 658 60 60 LYS H H 9.144 0.030 1 659 60 60 LYS HA H 4.665 0.030 1 660 60 60 LYS HB2 H 1.752 0.030 2 661 60 60 LYS HB3 H 1.777 0.030 2 662 60 60 LYS HD2 H 1.627 0.030 1 663 60 60 LYS HD3 H 1.627 0.030 1 664 60 60 LYS HE2 H 2.881 0.030 1 665 60 60 LYS HE3 H 2.881 0.030 1 666 60 60 LYS HG2 H 1.331 0.030 1 667 60 60 LYS HG3 H 1.331 0.030 1 668 60 60 LYS C C 175.644 0.300 1 669 60 60 LYS CA C 55.001 0.300 1 670 60 60 LYS CB C 35.576 0.300 1 671 60 60 LYS CD C 29.257 0.300 1 672 60 60 LYS CE C 42.134 0.300 1 673 60 60 LYS CG C 24.330 0.300 1 674 60 60 LYS N N 120.592 0.300 1 675 61 61 GLU H H 8.952 0.030 1 676 61 61 GLU HA H 4.403 0.030 1 677 61 61 GLU HB2 H 1.995 0.030 2 678 61 61 GLU HB3 H 2.173 0.030 2 679 61 61 GLU HG2 H 2.407 0.030 2 680 61 61 GLU HG3 H 2.462 0.030 2 681 61 61 GLU C C 176.596 0.300 1 682 61 61 GLU CA C 57.259 0.300 1 683 61 61 GLU CB C 30.046 0.300 1 684 61 61 GLU CG C 36.478 0.300 1 685 61 61 GLU N N 123.257 0.300 1 686 62 62 LEU H H 8.611 0.030 1 687 62 62 LEU HA H 4.509 0.030 1 688 62 62 LEU HB2 H 1.589 0.030 1 689 62 62 LEU HB3 H 1.589 0.030 1 690 62 62 LEU HD1 H 0.819 0.030 1 691 62 62 LEU HD2 H 0.831 0.030 1 692 62 62 LEU HG H 1.585 0.030 1 693 62 62 LEU C C 177.069 0.300 1 694 62 62 LEU CA C 54.860 0.300 1 695 62 62 LEU CB C 42.657 0.300 1 696 62 62 LEU CD1 C 25.443 0.300 2 697 62 62 LEU CD2 C 23.528 0.300 2 698 62 62 LEU CG C 27.385 0.300 1 699 62 62 LEU N N 123.745 0.300 1 700 63 63 SER H H 8.386 0.030 1 701 63 63 SER HA H 4.568 0.030 1 702 63 63 SER HB2 H 3.891 0.030 1 703 63 63 SER HB3 H 3.891 0.030 1 704 63 63 SER C C 174.473 0.300 1 705 63 63 SER CA C 58.161 0.300 1 706 63 63 SER CB C 64.291 0.300 1 707 63 63 SER N N 117.100 0.300 1 708 64 64 GLY H H 8.352 0.030 1 709 64 64 GLY HA2 H 4.107 0.030 2 710 64 64 GLY HA3 H 4.193 0.030 2 711 64 64 GLY C C 171.906 0.300 1 712 64 64 GLY CA C 44.730 0.300 1 713 64 64 GLY N N 110.646 0.300 1 714 65 65 PRO HA H 4.478 0.030 1 715 65 65 PRO HB2 H 1.983 0.030 2 716 65 65 PRO HB3 H 2.297 0.030 2 717 65 65 PRO HD2 H 3.624 0.030 2 718 65 65 PRO HD3 H 3.649 0.030 2 719 65 65 PRO HG2 H 2.023 0.030 1 720 65 65 PRO HG3 H 2.023 0.030 1 721 65 65 PRO C C 177.419 0.300 1 722 65 65 PRO CA C 63.344 0.300 1 723 65 65 PRO CB C 32.290 0.300 1 724 65 65 PRO CD C 49.878 0.300 1 725 65 65 PRO CG C 27.177 0.300 1 726 66 66 SER H H 8.530 0.030 1 727 66 66 SER HA H 4.501 0.030 1 728 66 66 SER HB2 H 3.928 0.030 1 729 66 66 SER HB3 H 3.928 0.030 1 730 66 66 SER C C 174.665 0.300 1 731 66 66 SER CA C 58.415 0.300 1 732 66 66 SER CB C 63.746 0.300 1 733 66 66 SER N N 116.253 0.300 1 734 67 67 SER H H 8.305 0.030 1 735 67 67 SER HA H 4.494 0.030 1 736 67 67 SER HB2 H 3.907 0.030 1 737 67 67 SER HB3 H 3.907 0.030 1 738 67 67 SER C C 173.935 0.300 1 739 67 67 SER CA C 58.415 0.300 1 740 67 67 SER CB C 64.102 0.300 1 741 67 67 SER N N 117.744 0.300 1 742 68 68 GLY H H 8.038 0.030 1 743 68 68 GLY HA2 H 3.743 0.030 2 744 68 68 GLY HA3 H 3.799 0.030 2 745 68 68 GLY C C 178.999 0.300 1 746 68 68 GLY CA C 46.271 0.300 1 747 68 68 GLY N N 116.826 0.300 1 stop_ save_