data_10302 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the SH3 domain of human SH3-containing GRB2-like protein 2 ; _BMRB_accession_number 10302 _BMRB_flat_file_name bmr10302.str _Entry_type new _Submission_date 2008-12-24 _Accession_date 2008-12-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sato M. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 383 "13C chemical shifts" 296 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-01-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structures of the SH3 domain of human SH3-containing GRB2-like protein 2 ; _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 Sato M. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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-containing GRB2-like protein 2' _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 73 _Mol_residue_sequence ; GSSGSSGPCCRALYDFEPEN EGELGFKEGDIITLTNQIDE NWYEGMLHGHSGFFPINYVE ILVALPHSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 CYS 10 CYS 11 ARG 12 ALA 13 LEU 14 TYR 15 ASP 16 PHE 17 GLU 18 PRO 19 GLU 20 ASN 21 GLU 22 GLY 23 GLU 24 LEU 25 GLY 26 PHE 27 LYS 28 GLU 29 GLY 30 ASP 31 ILE 32 ILE 33 THR 34 LEU 35 THR 36 ASN 37 GLN 38 ILE 39 ASP 40 GLU 41 ASN 42 TRP 43 TYR 44 GLU 45 GLY 46 MET 47 LEU 48 HIS 49 GLY 50 HIS 51 SER 52 GLY 53 PHE 54 PHE 55 PRO 56 ILE 57 ASN 58 TYR 59 VAL 60 GLU 61 ILE 62 LEU 63 VAL 64 ALA 65 LEU 66 PRO 67 HIS 68 SER 69 GLY 70 PRO 71 SER 72 SER 73 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2DBM "Solution Structures Of The Sh3 Domain Of Human Sh3- Containing Grb2-Like Protein 2" 100.00 73 100.00 100.00 6.36e-45 DBJ BAC31888 "unnamed protein product [Mus musculus]" 82.19 352 98.33 98.33 1.87e-36 DBJ BAE22364 "unnamed protein product [Mus musculus]" 82.19 296 98.33 98.33 3.42e-36 DBJ BAE23963 "unnamed protein product [Mus musculus]" 82.19 352 98.33 98.33 1.72e-36 DBJ BAG35315 "unnamed protein product [Homo sapiens]" 82.19 352 100.00 100.00 1.96e-37 DBJ BAG73715 "SH3-domain GRB2-like 2 [synthetic construct]" 82.19 352 100.00 100.00 1.96e-37 EMBL CAA67971 "SH3GL2 [Homo sapiens]" 82.19 352 100.00 100.00 1.96e-37 EMBL CAD97999 "hypothetical protein [Homo sapiens]" 82.19 290 100.00 100.00 2.59e-37 EMBL CAG46883 "SH3GL2 [Homo sapiens]" 82.19 352 100.00 100.00 1.96e-37 EMBL CAG46899 "SH3GL2 [Homo sapiens]" 82.19 352 100.00 100.00 1.96e-37 GB AAC04764 "EEN-B1 [Homo sapiens]" 82.19 352 100.00 100.00 1.96e-37 GB AAC14883 "SH3p4 [Rattus norvegicus]" 82.19 248 98.33 98.33 1.35e-36 GB AAH18385 "SH3-domain GRB2-like 2 [Mus musculus]" 82.19 352 98.33 98.33 1.46e-36 GB AAI23533 "SH3-domain GRB2-like 2 [Bos taurus]" 82.19 352 98.33 98.33 1.87e-36 GB AAL37407 "SH3 domain protein 2A [Mus musculus]" 82.19 352 98.33 98.33 1.46e-36 REF NP_001070308 "endophilin-A1 [Bos taurus]" 82.19 352 98.33 98.33 1.87e-36 REF NP_003017 "endophilin-A1 [Homo sapiens]" 82.19 352 100.00 100.00 1.96e-37 REF NP_062408 "endophilin-A1 [Mus musculus]" 82.19 352 98.33 98.33 1.46e-36 REF NP_446387 "endophilin-A1 [Rattus norvegicus]" 82.19 352 98.33 98.33 1.44e-36 REF XP_001102732 "PREDICTED: endophilin-A1 [Macaca mulatta]" 82.19 506 100.00 100.00 2.54e-36 SP O35179 "RecName: Full=Endophilin-A1; AltName: Full=Endophilin-1; AltName: Full=SH3 domain protein 2A; AltName: Full=SH3 domain-containi" 82.19 352 98.33 98.33 1.44e-36 SP Q62420 "RecName: Full=Endophilin-A1; AltName: Full=Endophilin-1; AltName: Full=SH3 domain protein 2A; AltName: Full=SH3 domain-containi" 82.19 352 98.33 98.33 1.46e-36 SP Q99962 "RecName: Full=Endophilin-A1; AltName: Full=EEN-B1; AltName: Full=Endophilin-1; AltName: Full=SH3 domain protein 2A; AltName: Fu" 82.19 352 100.00 100.00 1.96e-37 TPG DAA26952 "TPA: SH3-domain GRB2-like 2 [Bos taurus]" 82.19 352 98.33 98.33 1.87e-36 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 human 9606 Eukaryota Metazoa Homo sapiens 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' . . . . plasmid P050620-01 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name cyana _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement 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_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 7.0 0.05 pH pressure 1 0.001 atm temperature 296 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _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 6 6 SER HA H 4.513 0.030 1 2 6 6 SER HB2 H 3.872 0.030 2 3 6 6 SER CA C 58.613 0.300 1 4 6 6 SER CB C 64.053 0.300 1 5 7 7 GLY H H 8.135 0.030 1 6 7 7 GLY HA2 H 4.222 0.030 2 7 7 7 GLY HA3 H 3.972 0.030 2 8 7 7 GLY CA C 44.696 0.300 1 9 7 7 GLY N N 110.950 0.300 1 10 8 8 PRO HA H 4.265 0.030 1 11 8 8 PRO HB2 H 2.155 0.030 2 12 8 8 PRO HB3 H 1.953 0.030 2 13 8 8 PRO HD2 H 3.729 0.030 2 14 8 8 PRO HD3 H 3.608 0.030 2 15 8 8 PRO HG2 H 2.281 0.030 2 16 8 8 PRO HG3 H 2.031 0.030 2 17 8 8 PRO C C 177.829 0.300 1 18 8 8 PRO CA C 63.234 0.300 1 19 8 8 PRO CB C 32.158 0.300 1 20 8 8 PRO CD C 49.833 0.300 1 21 8 8 PRO CG C 28.192 0.300 1 22 9 9 CYS H H 9.543 0.030 1 23 9 9 CYS HA H 5.553 0.030 1 24 9 9 CYS HB2 H 3.527 0.030 2 25 9 9 CYS HB3 H 2.620 0.030 2 26 9 9 CYS C C 172.842 0.300 1 27 9 9 CYS CA C 57.309 0.300 1 28 9 9 CYS CB C 30.251 0.300 1 29 9 9 CYS N N 118.628 0.300 1 30 10 10 CYS H H 9.252 0.030 1 31 10 10 CYS HA H 5.316 0.030 1 32 10 10 CYS HB2 H 2.728 0.030 2 33 10 10 CYS HB3 H 2.594 0.030 2 34 10 10 CYS C C 169.452 0.300 1 35 10 10 CYS CA C 55.247 0.300 1 36 10 10 CYS CB C 33.641 0.300 1 37 10 10 CYS N N 116.093 0.300 1 38 11 11 ARG H H 9.124 0.030 1 39 11 11 ARG HA H 5.250 0.030 1 40 11 11 ARG HB2 H 1.768 0.030 2 41 11 11 ARG HB3 H 1.443 0.030 2 42 11 11 ARG HD2 H 3.210 0.030 2 43 11 11 ARG HD3 H 3.128 0.030 2 44 11 11 ARG HG2 H 1.351 0.030 1 45 11 11 ARG HG3 H 1.351 0.030 1 46 11 11 ARG C C 175.606 0.300 1 47 11 11 ARG CA C 53.373 0.300 1 48 11 11 ARG CB C 34.047 0.300 1 49 11 11 ARG CD C 43.419 0.300 1 50 11 11 ARG CG C 26.883 0.300 1 51 11 11 ARG N N 121.194 0.300 1 52 12 12 ALA H H 8.920 0.030 1 53 12 12 ALA HA H 4.166 0.030 1 54 12 12 ALA HB H 1.402 0.030 1 55 12 12 ALA C C 178.722 0.300 1 56 12 12 ALA CA C 53.103 0.300 1 57 12 12 ALA CB C 21.403 0.300 1 58 12 12 ALA N N 128.753 0.300 1 59 13 13 LEU H H 9.443 0.030 1 60 13 13 LEU HA H 4.077 0.030 1 61 13 13 LEU HB2 H 1.036 0.030 2 62 13 13 LEU HB3 H 0.626 0.030 2 63 13 13 LEU HD1 H 0.655 0.030 1 64 13 13 LEU HD2 H 0.669 0.030 1 65 13 13 LEU HG H 1.370 0.030 1 66 13 13 LEU C C 175.170 0.300 1 67 13 13 LEU CA C 55.397 0.300 1 68 13 13 LEU CB C 43.158 0.300 1 69 13 13 LEU CD1 C 25.475 0.300 2 70 13 13 LEU CD2 C 22.103 0.300 2 71 13 13 LEU CG C 26.966 0.300 1 72 13 13 LEU N N 126.164 0.300 1 73 14 14 TYR H H 7.292 0.030 1 74 14 14 TYR HA H 4.834 0.030 1 75 14 14 TYR HB2 H 3.370 0.030 2 76 14 14 TYR HB3 H 2.501 0.030 2 77 14 14 TYR HD1 H 6.840 0.030 1 78 14 14 TYR HD2 H 6.840 0.030 1 79 14 14 TYR HE1 H 6.692 0.030 1 80 14 14 TYR HE2 H 6.692 0.030 1 81 14 14 TYR C C 173.739 0.300 1 82 14 14 TYR CA C 53.924 0.300 1 83 14 14 TYR CB C 42.928 0.300 1 84 14 14 TYR CD1 C 134.071 0.300 1 85 14 14 TYR CD2 C 134.071 0.300 1 86 14 14 TYR CE1 C 117.704 0.300 1 87 14 14 TYR CE2 C 117.704 0.300 1 88 14 14 TYR N N 113.070 0.300 1 89 15 15 ASP H H 8.589 0.030 1 90 15 15 ASP HA H 4.715 0.030 1 91 15 15 ASP HB2 H 2.786 0.030 2 92 15 15 ASP HB3 H 2.711 0.030 2 93 15 15 ASP C C 175.668 0.300 1 94 15 15 ASP CA C 54.876 0.300 1 95 15 15 ASP CB C 41.138 0.300 1 96 15 15 ASP N N 118.400 0.300 1 97 16 16 PHE H H 8.473 0.030 1 98 16 16 PHE HA H 4.786 0.030 1 99 16 16 PHE HB2 H 2.327 0.030 2 100 16 16 PHE HB3 H 1.135 0.030 2 101 16 16 PHE HD1 H 6.990 0.030 1 102 16 16 PHE HD2 H 6.990 0.030 1 103 16 16 PHE HE1 H 7.267 0.030 1 104 16 16 PHE HE2 H 7.267 0.030 1 105 16 16 PHE HZ H 7.353 0.030 1 106 16 16 PHE C C 173.329 0.300 1 107 16 16 PHE CA C 56.410 0.300 1 108 16 16 PHE CB C 42.092 0.300 1 109 16 16 PHE CD1 C 132.427 0.300 1 110 16 16 PHE CD2 C 132.427 0.300 1 111 16 16 PHE CE1 C 130.750 0.300 1 112 16 16 PHE CE2 C 130.750 0.300 1 113 16 16 PHE CZ C 129.064 0.300 1 114 16 16 PHE N N 122.610 0.300 1 115 17 17 GLU H H 7.932 0.030 1 116 17 17 GLU HA H 4.588 0.030 1 117 17 17 GLU HB2 H 1.737 0.030 1 118 17 17 GLU HB3 H 1.737 0.030 1 119 17 17 GLU HG2 H 2.058 0.030 1 120 17 17 GLU HG3 H 2.058 0.030 1 121 17 17 GLU C C 172.882 0.300 1 122 17 17 GLU CA C 51.561 0.300 1 123 17 17 GLU CB C 30.015 0.300 1 124 17 17 GLU CG C 35.499 0.300 1 125 17 17 GLU N N 128.906 0.300 1 126 18 18 PRO HA H 3.969 0.030 1 127 18 18 PRO HB2 H 1.984 0.030 2 128 18 18 PRO HB3 H 1.828 0.030 2 129 18 18 PRO HD2 H 3.479 0.030 1 130 18 18 PRO HD3 H 3.479 0.030 1 131 18 18 PRO HG2 H 1.876 0.030 2 132 18 18 PRO HG3 H 1.510 0.030 2 133 18 18 PRO C C 176.787 0.300 1 134 18 18 PRO CA C 62.634 0.300 1 135 18 18 PRO CB C 33.354 0.300 1 136 18 18 PRO CD C 50.734 0.300 1 137 18 18 PRO CG C 26.966 0.300 1 138 19 19 GLU H H 8.926 0.030 1 139 19 19 GLU HA H 4.302 0.030 1 140 19 19 GLU HB2 H 2.080 0.030 2 141 19 19 GLU HB3 H 1.975 0.030 2 142 19 19 GLU HG2 H 2.293 0.030 2 143 19 19 GLU HG3 H 2.184 0.030 2 144 19 19 GLU C C 175.795 0.300 1 145 19 19 GLU CA C 56.563 0.300 1 146 19 19 GLU CB C 32.290 0.300 1 147 19 19 GLU CG C 36.653 0.300 1 148 19 19 GLU N N 121.507 0.300 1 149 20 20 ASN H H 7.736 0.030 1 150 20 20 ASN HA H 4.955 0.030 1 151 20 20 ASN HB2 H 2.707 0.030 2 152 20 20 ASN HB3 H 2.430 0.030 2 153 20 20 ASN HD21 H 8.329 0.030 2 154 20 20 ASN HD22 H 7.046 0.030 2 155 20 20 ASN C C 174.861 0.300 1 156 20 20 ASN CA C 51.562 0.300 1 157 20 20 ASN CB C 42.048 0.300 1 158 20 20 ASN N N 115.855 0.300 1 159 20 20 ASN ND2 N 118.175 0.300 1 160 21 21 GLU H H 8.820 0.030 1 161 21 21 GLU HA H 4.078 0.030 1 162 21 21 GLU HB2 H 2.003 0.030 1 163 21 21 GLU HB3 H 2.003 0.030 1 164 21 21 GLU HG2 H 2.304 0.030 1 165 21 21 GLU HG3 H 2.304 0.030 1 166 21 21 GLU C C 176.797 0.300 1 167 21 21 GLU CA C 58.195 0.300 1 168 21 21 GLU CB C 29.586 0.300 1 169 21 21 GLU CG C 36.114 0.300 1 170 21 21 GLU N N 122.385 0.300 1 171 22 22 GLY H H 8.792 0.030 1 172 22 22 GLY HA2 H 4.163 0.030 2 173 22 22 GLY HA3 H 3.738 0.030 2 174 22 22 GLY C C 174.367 0.300 1 175 22 22 GLY CA C 44.897 0.300 1 176 22 22 GLY N N 112.352 0.300 1 177 23 23 GLU H H 7.251 0.030 1 178 23 23 GLU HA H 4.715 0.030 1 179 23 23 GLU HB2 H 2.264 0.030 2 180 23 23 GLU HB3 H 2.159 0.030 2 181 23 23 GLU HG2 H 2.399 0.030 2 182 23 23 GLU HG3 H 2.161 0.030 2 183 23 23 GLU C C 175.968 0.300 1 184 23 23 GLU CA C 55.511 0.300 1 185 23 23 GLU CB C 31.540 0.300 1 186 23 23 GLU CG C 37.845 0.300 1 187 23 23 GLU N N 119.298 0.300 1 188 24 24 LEU H H 8.979 0.030 1 189 24 24 LEU HA H 4.414 0.030 1 190 24 24 LEU HB2 H 2.001 0.030 2 191 24 24 LEU HB3 H 0.876 0.030 2 192 24 24 LEU HD1 H 0.929 0.030 1 193 24 24 LEU HD2 H 0.737 0.030 1 194 24 24 LEU HG H 1.727 0.030 1 195 24 24 LEU C C 173.139 0.300 1 196 24 24 LEU CA C 53.642 0.300 1 197 24 24 LEU CB C 45.138 0.300 1 198 24 24 LEU CD1 C 23.999 0.300 2 199 24 24 LEU CD2 C 26.194 0.300 2 200 24 24 LEU CG C 26.554 0.300 1 201 24 24 LEU N N 127.067 0.300 1 202 25 25 GLY H H 7.921 0.030 1 203 25 25 GLY HA2 H 4.192 0.030 2 204 25 25 GLY HA3 H 3.408 0.030 2 205 25 25 GLY C C 173.343 0.300 1 206 25 25 GLY CA C 44.756 0.300 1 207 25 25 GLY N N 108.558 0.300 1 208 26 26 PHE H H 7.996 0.030 1 209 26 26 PHE HA H 4.727 0.030 1 210 26 26 PHE HB2 H 3.328 0.030 2 211 26 26 PHE HB3 H 3.220 0.030 2 212 26 26 PHE HD1 H 6.738 0.030 1 213 26 26 PHE HD2 H 6.738 0.030 1 214 26 26 PHE HE1 H 7.128 0.030 1 215 26 26 PHE HE2 H 7.128 0.030 1 216 26 26 PHE HZ H 6.982 0.030 1 217 26 26 PHE C C 174.507 0.300 1 218 26 26 PHE CA C 56.251 0.300 1 219 26 26 PHE CB C 40.305 0.300 1 220 26 26 PHE CD1 C 133.353 0.300 1 221 26 26 PHE CD2 C 133.353 0.300 1 222 26 26 PHE CE1 C 131.881 0.300 1 223 26 26 PHE CE2 C 131.881 0.300 1 224 26 26 PHE CZ C 118.600 0.300 1 225 26 26 PHE N N 112.968 0.300 1 226 27 27 LYS H H 9.459 0.030 1 227 27 27 LYS HA H 5.044 0.030 1 228 27 27 LYS HB2 H 1.803 0.030 1 229 27 27 LYS HB3 H 1.803 0.030 1 230 27 27 LYS HD2 H 1.689 0.030 2 231 27 27 LYS HD3 H 1.634 0.030 2 232 27 27 LYS HE2 H 3.037 0.030 2 233 27 27 LYS HE3 H 2.974 0.030 2 234 27 27 LYS HG2 H 1.464 0.030 1 235 27 27 LYS HG3 H 1.464 0.030 1 236 27 27 LYS C C 175.682 0.300 1 237 27 27 LYS CA C 52.955 0.300 1 238 27 27 LYS CB C 35.248 0.300 1 239 27 27 LYS CD C 28.456 0.300 1 240 27 27 LYS CE C 42.377 0.300 1 241 27 27 LYS CG C 24.507 0.300 1 242 27 27 LYS N N 120.550 0.300 1 243 28 28 GLU H H 9.048 0.030 1 244 28 28 GLU HA H 3.227 0.030 1 245 28 28 GLU HB2 H 1.876 0.030 2 246 28 28 GLU HB3 H 1.787 0.030 2 247 28 28 GLU HG2 H 2.132 0.030 2 248 28 28 GLU HG3 H 1.916 0.030 2 249 28 28 GLU C C 176.805 0.300 1 250 28 28 GLU CA C 58.567 0.300 1 251 28 28 GLU CB C 29.685 0.300 1 252 28 28 GLU CG C 35.200 0.300 1 253 28 28 GLU N N 120.481 0.300 1 254 29 29 GLY H H 8.831 0.030 1 255 29 29 GLY HA2 H 4.454 0.030 2 256 29 29 GLY HA3 H 3.436 0.030 2 257 29 29 GLY C C 174.367 0.300 1 258 29 29 GLY CA C 44.960 0.300 1 259 29 29 GLY N N 115.031 0.300 1 260 30 30 ASP H H 8.446 0.030 1 261 30 30 ASP HA H 4.521 0.030 1 262 30 30 ASP HB2 H 2.767 0.030 2 263 30 30 ASP HB3 H 2.296 0.030 2 264 30 30 ASP C C 175.120 0.300 1 265 30 30 ASP CA C 56.181 0.300 1 266 30 30 ASP CB C 41.580 0.300 1 267 30 30 ASP N N 122.671 0.300 1 268 31 31 ILE H H 8.165 0.030 1 269 31 31 ILE HA H 4.822 0.030 1 270 31 31 ILE HB H 1.904 0.030 1 271 31 31 ILE HD1 H 0.733 0.030 1 272 31 31 ILE HG12 H 1.544 0.030 2 273 31 31 ILE HG13 H 1.311 0.030 2 274 31 31 ILE HG2 H 0.744 0.030 1 275 31 31 ILE C C 175.309 0.300 1 276 31 31 ILE CA C 58.825 0.300 1 277 31 31 ILE CB C 36.655 0.300 1 278 31 31 ILE CD1 C 10.804 0.300 1 279 31 31 ILE CG1 C 26.730 0.300 1 280 31 31 ILE CG2 C 16.993 0.300 1 281 31 31 ILE N N 120.114 0.300 1 282 32 32 ILE H H 8.663 0.030 1 283 32 32 ILE HA H 3.998 0.030 1 284 32 32 ILE HB H 1.337 0.030 1 285 32 32 ILE HD1 H -0.547 0.030 1 286 32 32 ILE HG12 H 0.931 0.030 2 287 32 32 ILE HG13 H 0.351 0.030 2 288 32 32 ILE HG2 H 0.455 0.030 1 289 32 32 ILE C C 176.801 0.300 1 290 32 32 ILE CA C 60.694 0.300 1 291 32 32 ILE CB C 41.271 0.300 1 292 32 32 ILE CD1 C 14.691 0.300 1 293 32 32 ILE CG1 C 29.174 0.300 1 294 32 32 ILE CG2 C 18.477 0.300 1 295 32 32 ILE N N 130.247 0.300 1 296 33 33 THR H H 8.628 0.030 1 297 33 33 THR HA H 4.325 0.030 1 298 33 33 THR HB H 4.197 0.030 1 299 33 33 THR HG2 H 1.257 0.030 1 300 33 33 THR C C 173.989 0.300 1 301 33 33 THR CA C 63.673 0.300 1 302 33 33 THR CB C 69.957 0.300 1 303 33 33 THR CG2 C 21.282 0.300 1 304 33 33 THR N N 124.592 0.300 1 305 34 34 LEU H H 7.742 0.030 1 306 34 34 LEU HA H 4.668 0.030 1 307 34 34 LEU HB2 H 1.456 0.030 2 308 34 34 LEU HB3 H 1.219 0.030 2 309 34 34 LEU HD1 H 0.667 0.030 1 310 34 34 LEU HD2 H 0.659 0.030 1 311 34 34 LEU HG H 1.362 0.030 1 312 34 34 LEU C C 175.739 0.300 1 313 34 34 LEU CA C 54.629 0.300 1 314 34 34 LEU CB C 44.881 0.300 1 315 34 34 LEU CD1 C 25.144 0.300 2 316 34 34 LEU CD2 C 25.552 0.300 2 317 34 34 LEU CG C 27.313 0.300 1 318 34 34 LEU N N 128.231 0.300 1 319 35 35 THR H H 9.150 0.030 1 320 35 35 THR HA H 4.491 0.030 1 321 35 35 THR HB H 4.119 0.030 1 322 35 35 THR HG2 H 1.078 0.030 1 323 35 35 THR C C 174.942 0.300 1 324 35 35 THR CA C 62.525 0.300 1 325 35 35 THR CB C 69.478 0.300 1 326 35 35 THR CG2 C 22.374 0.300 1 327 35 35 THR N N 112.697 0.300 1 328 36 36 ASN H H 7.956 0.030 1 329 36 36 ASN HA H 4.846 0.030 1 330 36 36 ASN HB2 H 2.913 0.030 2 331 36 36 ASN HB3 H 2.503 0.030 2 332 36 36 ASN HD21 H 7.824 0.030 2 333 36 36 ASN HD22 H 6.909 0.030 2 334 36 36 ASN C C 172.825 0.300 1 335 36 36 ASN CA C 53.483 0.300 1 336 36 36 ASN CB C 42.130 0.300 1 337 36 36 ASN N N 117.154 0.300 1 338 36 36 ASN ND2 N 113.926 0.300 1 339 37 37 GLN H H 8.675 0.030 1 340 37 37 GLN HA H 4.525 0.030 1 341 37 37 GLN HB2 H 1.947 0.030 2 342 37 37 GLN HB3 H 1.781 0.030 2 343 37 37 GLN HE21 H 6.979 0.030 2 344 37 37 GLN HE22 H 6.709 0.030 2 345 37 37 GLN HG2 H 2.163 0.030 2 346 37 37 GLN HG3 H 1.958 0.030 2 347 37 37 GLN C C 174.550 0.300 1 348 37 37 GLN CA C 56.181 0.300 1 349 37 37 GLN CB C 29.108 0.300 1 350 37 37 GLN CG C 33.199 0.300 1 351 37 37 GLN N N 123.039 0.300 1 352 37 37 GLN NE2 N 110.182 0.300 1 353 38 38 ILE H H 8.294 0.030 1 354 38 38 ILE HA H 3.852 0.030 1 355 38 38 ILE HB H 1.670 0.030 1 356 38 38 ILE HD1 H 0.528 0.030 1 357 38 38 ILE HG12 H 1.098 0.030 2 358 38 38 ILE HG13 H 0.978 0.030 2 359 38 38 ILE HG2 H 0.665 0.030 1 360 38 38 ILE C C 175.772 0.300 1 361 38 38 ILE CA C 62.617 0.300 1 362 38 38 ILE CB C 38.050 0.300 1 363 38 38 ILE CD1 C 12.050 0.300 1 364 38 38 ILE CG1 C 27.558 0.300 1 365 38 38 ILE CG2 C 16.931 0.300 1 366 38 38 ILE N N 127.499 0.300 1 367 39 39 ASP H H 8.015 0.030 1 368 39 39 ASP HA H 4.465 0.030 1 369 39 39 ASP HB2 H 3.099 0.030 2 370 39 39 ASP HB3 H 3.035 0.030 2 371 39 39 ASP C C 175.412 0.300 1 372 39 39 ASP CA C 53.465 0.300 1 373 39 39 ASP CB C 39.946 0.300 1 374 39 39 ASP N N 118.957 0.300 1 375 40 40 GLU H H 8.764 0.030 1 376 40 40 GLU HA H 3.916 0.030 1 377 40 40 GLU HB2 H 2.006 0.030 2 378 40 40 GLU HB3 H 1.951 0.030 2 379 40 40 GLU HG2 H 2.252 0.030 1 380 40 40 GLU HG3 H 2.252 0.030 1 381 40 40 GLU C C 175.884 0.300 1 382 40 40 GLU CA C 58.772 0.300 1 383 40 40 GLU CB C 29.438 0.300 1 384 40 40 GLU CG C 36.135 0.300 1 385 40 40 GLU N N 114.028 0.300 1 386 41 41 ASN H H 8.852 0.030 1 387 41 41 ASN HA H 4.846 0.030 1 388 41 41 ASN HB2 H 2.643 0.030 2 389 41 41 ASN HB3 H 2.322 0.030 2 390 41 41 ASN HD21 H 7.662 0.030 2 391 41 41 ASN HD22 H 6.876 0.030 2 392 41 41 ASN C C 175.260 0.300 1 393 41 41 ASN CA C 54.065 0.300 1 394 41 41 ASN CB C 42.389 0.300 1 395 41 41 ASN N N 115.151 0.300 1 396 41 41 ASN ND2 N 114.959 0.300 1 397 42 42 TRP H H 8.149 0.030 1 398 42 42 TRP HA H 5.006 0.030 1 399 42 42 TRP HB2 H 2.842 0.030 2 400 42 42 TRP HB3 H 2.778 0.030 2 401 42 42 TRP HD1 H 7.895 0.030 1 402 42 42 TRP HE1 H 10.143 0.030 1 403 42 42 TRP HE3 H 7.398 0.030 1 404 42 42 TRP HH2 H 7.403 0.030 1 405 42 42 TRP HZ2 H 7.502 0.030 1 406 42 42 TRP HZ3 H 6.944 0.030 1 407 42 42 TRP C C 175.014 0.300 1 408 42 42 TRP CA C 57.370 0.300 1 409 42 42 TRP CB C 31.988 0.300 1 410 42 42 TRP CD1 C 129.685 0.300 1 411 42 42 TRP CE3 C 120.015 0.300 1 412 42 42 TRP CH2 C 125.105 0.300 1 413 42 42 TRP CZ2 C 114.761 0.300 1 414 42 42 TRP CZ3 C 120.395 0.300 1 415 42 42 TRP N N 121.448 0.300 1 416 42 42 TRP NE1 N 129.197 0.300 1 417 43 43 TYR H H 8.663 0.030 1 418 43 43 TYR HA H 5.032 0.030 1 419 43 43 TYR HB2 H 2.686 0.030 2 420 43 43 TYR HB3 H 1.721 0.030 2 421 43 43 TYR HD1 H 6.968 0.030 1 422 43 43 TYR HD2 H 6.968 0.030 1 423 43 43 TYR HE1 H 6.683 0.030 1 424 43 43 TYR HE2 H 6.683 0.030 1 425 43 43 TYR C C 173.673 0.300 1 426 43 43 TYR CA C 55.572 0.300 1 427 43 43 TYR CB C 42.625 0.300 1 428 43 43 TYR CD1 C 132.013 0.300 1 429 43 43 TYR CD2 C 132.013 0.300 1 430 43 43 TYR CE1 C 118.222 0.300 1 431 43 43 TYR CE2 C 118.222 0.300 1 432 43 43 TYR N N 122.040 0.300 1 433 44 44 GLU H H 8.785 0.030 1 434 44 44 GLU HA H 5.186 0.030 1 435 44 44 GLU HB2 H 2.040 0.030 2 436 44 44 GLU HB3 H 1.873 0.030 2 437 44 44 GLU HG2 H 2.217 0.030 2 438 44 44 GLU HG3 H 2.102 0.030 2 439 44 44 GLU C C 175.935 0.300 1 440 44 44 GLU CA C 54.788 0.300 1 441 44 44 GLU CB C 34.076 0.300 1 442 44 44 GLU CG C 37.248 0.300 1 443 44 44 GLU N N 117.703 0.300 1 444 45 45 GLY H H 9.046 0.030 1 445 45 45 GLY HA2 H 5.012 0.030 2 446 45 45 GLY HA3 H 4.264 0.030 2 447 45 45 GLY C C 170.922 0.300 1 448 45 45 GLY CA C 46.536 0.300 1 449 45 45 GLY N N 112.097 0.300 1 450 46 46 MET H H 8.856 0.030 1 451 46 46 MET HA H 5.581 0.030 1 452 46 46 MET HB2 H 1.924 0.030 2 453 46 46 MET HB3 H 1.816 0.030 2 454 46 46 MET HE H 1.992 0.030 1 455 46 46 MET HG2 H 2.406 0.030 2 456 46 46 MET HG3 H 2.366 0.030 2 457 46 46 MET C C 174.128 0.300 1 458 46 46 MET CA C 54.470 0.300 1 459 46 46 MET CB C 37.391 0.300 1 460 46 46 MET CE C 16.659 0.300 1 461 46 46 MET CG C 31.581 0.300 1 462 46 46 MET N N 116.988 0.300 1 463 47 47 LEU H H 8.845 0.030 1 464 47 47 LEU HA H 4.556 0.030 1 465 47 47 LEU HB2 H 1.788 0.030 2 466 47 47 LEU HB3 H 1.340 0.030 2 467 47 47 LEU HD1 H 0.604 0.030 1 468 47 47 LEU HD2 H 1.009 0.030 1 469 47 47 LEU HG H 1.322 0.030 1 470 47 47 LEU C C 175.966 0.300 1 471 47 47 LEU CA C 54.961 0.300 1 472 47 47 LEU CB C 46.265 0.300 1 473 47 47 LEU CD1 C 23.244 0.300 2 474 47 47 LEU CD2 C 27.078 0.300 2 475 47 47 LEU CG C 27.362 0.300 1 476 47 47 LEU N N 124.256 0.300 1 477 48 48 HIS H H 9.598 0.030 1 478 48 48 HIS HA H 4.489 0.030 1 479 48 48 HIS HB2 H 3.362 0.030 1 480 48 48 HIS HB3 H 3.362 0.030 1 481 48 48 HIS HD2 H 7.167 0.030 1 482 48 48 HIS C C 175.397 0.300 1 483 48 48 HIS CA C 56.304 0.300 1 484 48 48 HIS CB C 28.280 0.300 1 485 48 48 HIS CD2 C 119.416 0.300 1 486 48 48 HIS N N 126.058 0.300 1 487 49 49 GLY H H 8.726 0.030 1 488 49 49 GLY HA2 H 4.119 0.030 2 489 49 49 GLY HA3 H 3.664 0.030 2 490 49 49 GLY C C 173.784 0.300 1 491 49 49 GLY CA C 45.602 0.300 1 492 49 49 GLY N N 104.310 0.300 1 493 50 50 HIS H H 8.027 0.030 1 494 50 50 HIS HA H 4.960 0.030 1 495 50 50 HIS HB2 H 3.275 0.030 2 496 50 50 HIS HB3 H 3.224 0.030 2 497 50 50 HIS HD2 H 7.280 0.030 1 498 50 50 HIS C C 173.185 0.300 1 499 50 50 HIS CA C 54.611 0.300 1 500 50 50 HIS CB C 31.495 0.300 1 501 50 50 HIS CD2 C 120.690 0.300 1 502 50 50 HIS N N 120.308 0.300 1 503 51 51 SER H H 8.641 0.030 1 504 51 51 SER HA H 5.804 0.030 1 505 51 51 SER HB2 H 3.805 0.030 2 506 51 51 SER HB3 H 3.777 0.030 2 507 51 51 SER C C 174.465 0.300 1 508 51 51 SER CA C 56.648 0.300 1 509 51 51 SER CB C 66.184 0.300 1 510 51 51 SER N N 116.317 0.300 1 511 52 52 GLY H H 8.640 0.030 1 512 52 52 GLY HA2 H 4.070 0.030 1 513 52 52 GLY HA3 H 4.070 0.030 1 514 52 52 GLY C C 171.100 0.300 1 515 52 52 GLY CA C 45.990 0.300 1 516 52 52 GLY N N 109.156 0.300 1 517 53 53 PHE H H 8.220 0.030 1 518 53 53 PHE HA H 6.430 0.030 1 519 53 53 PHE HB2 H 3.187 0.030 2 520 53 53 PHE HB3 H 3.035 0.030 2 521 53 53 PHE HD1 H 7.038 0.030 1 522 53 53 PHE HD2 H 7.038 0.030 1 523 53 53 PHE HE1 H 7.157 0.030 1 524 53 53 PHE HE2 H 7.157 0.030 1 525 53 53 PHE HZ H 7.182 0.030 1 526 53 53 PHE C C 176.868 0.300 1 527 53 53 PHE CA C 54.594 0.300 1 528 53 53 PHE CB C 42.183 0.300 1 529 53 53 PHE CD1 C 131.452 0.300 1 530 53 53 PHE CD2 C 131.452 0.300 1 531 53 53 PHE CE1 C 131.407 0.300 1 532 53 53 PHE CE2 C 131.407 0.300 1 533 53 53 PHE CZ C 129.913 0.300 1 534 53 53 PHE N N 117.011 0.300 1 535 54 54 PHE H H 9.128 0.030 1 536 54 54 PHE HA H 5.295 0.030 1 537 54 54 PHE HB2 H 3.728 0.030 2 538 54 54 PHE HB3 H 2.793 0.030 2 539 54 54 PHE HD1 H 7.090 0.030 1 540 54 54 PHE HD2 H 7.090 0.030 1 541 54 54 PHE HE1 H 6.987 0.030 1 542 54 54 PHE HE2 H 6.987 0.030 1 543 54 54 PHE HZ H 6.855 0.030 1 544 54 54 PHE C C 171.158 0.300 1 545 54 54 PHE CA C 55.830 0.300 1 546 54 54 PHE CB C 38.910 0.300 1 547 54 54 PHE CD1 C 133.541 0.300 1 548 54 54 PHE CD2 C 133.541 0.300 1 549 54 54 PHE CE1 C 130.498 0.300 1 550 54 54 PHE CE2 C 130.498 0.300 1 551 54 54 PHE CZ C 129.029 0.300 1 552 54 54 PHE N N 116.440 0.300 1 553 55 55 PRO HA H 4.143 0.030 1 554 55 55 PRO HB2 H 1.620 0.030 2 555 55 55 PRO HB3 H 1.453 0.030 2 556 55 55 PRO HD2 H 2.835 0.030 2 557 55 55 PRO HD3 H 2.365 0.030 2 558 55 55 PRO HG2 H 1.115 0.030 2 559 55 55 PRO HG3 H 0.867 0.030 2 560 55 55 PRO C C 178.467 0.300 1 561 55 55 PRO CA C 61.541 0.300 1 562 55 55 PRO CB C 31.431 0.300 1 563 55 55 PRO CD C 50.775 0.300 1 564 55 55 PRO CG C 27.290 0.300 1 565 56 56 ILE H H 7.835 0.030 1 566 56 56 ILE HA H 3.694 0.030 1 567 56 56 ILE HB H 1.347 0.030 1 568 56 56 ILE HD1 H 0.295 0.030 1 569 56 56 ILE HG12 H 0.923 0.030 2 570 56 56 ILE HG13 H 0.075 0.030 2 571 56 56 ILE HG2 H 0.694 0.030 1 572 56 56 ILE C C 177.030 0.300 1 573 56 56 ILE CA C 62.818 0.300 1 574 56 56 ILE CB C 38.890 0.300 1 575 56 56 ILE CD1 C 13.482 0.300 1 576 56 56 ILE CG1 C 27.825 0.300 1 577 56 56 ILE CG2 C 17.014 0.300 1 578 56 56 ILE N N 123.127 0.300 1 579 57 57 ASN H H 8.297 0.030 1 580 57 57 ASN HA H 4.703 0.030 1 581 57 57 ASN HB2 H 2.939 0.030 2 582 57 57 ASN HB3 H 2.777 0.030 2 583 57 57 ASN HD21 H 7.489 0.030 2 584 57 57 ASN HD22 H 6.608 0.030 2 585 57 57 ASN C C 175.689 0.300 1 586 57 57 ASN CA C 54.118 0.300 1 587 57 57 ASN CB C 36.981 0.300 1 588 57 57 ASN N N 114.049 0.300 1 589 57 57 ASN ND2 N 111.165 0.300 1 590 58 58 TYR H H 7.822 0.030 1 591 58 58 TYR HA H 4.822 0.030 1 592 58 58 TYR HB2 H 3.715 0.030 2 593 58 58 TYR HB3 H 3.392 0.030 2 594 58 58 TYR HD1 H 6.724 0.030 1 595 58 58 TYR HD2 H 6.724 0.030 1 596 58 58 TYR HE1 H 7.152 0.030 1 597 58 58 TYR HE2 H 7.152 0.030 1 598 58 58 TYR C C 175.451 0.300 1 599 58 58 TYR CA C 58.967 0.300 1 600 58 58 TYR CB C 39.602 0.300 1 601 58 58 TYR CD1 C 127.841 0.300 1 602 58 58 TYR CD2 C 127.841 0.300 1 603 58 58 TYR CE1 C 120.169 0.300 1 604 58 58 TYR CE2 C 120.169 0.300 1 605 58 58 TYR N N 118.260 0.300 1 606 59 59 VAL H H 7.730 0.030 1 607 59 59 VAL HA H 5.285 0.030 1 608 59 59 VAL HB H 1.635 0.030 1 609 59 59 VAL HG1 H 0.638 0.030 1 610 59 59 VAL HG2 H 1.131 0.030 1 611 59 59 VAL C C 173.289 0.300 1 612 59 59 VAL CA C 58.879 0.300 1 613 59 59 VAL CB C 36.453 0.300 1 614 59 59 VAL CG1 C 21.589 0.300 2 615 59 59 VAL CG2 C 17.876 0.300 2 616 59 59 VAL N N 109.302 0.300 1 617 60 60 GLU H H 8.909 0.030 1 618 60 60 GLU HA H 4.822 0.030 1 619 60 60 GLU HB2 H 1.926 0.030 1 620 60 60 GLU HB3 H 1.926 0.030 1 621 60 60 GLU HG2 H 2.193 0.030 2 622 60 60 GLU HG3 H 2.094 0.030 2 623 60 60 GLU C C 176.279 0.300 1 624 60 60 GLU CA C 53.289 0.300 1 625 60 60 GLU CB C 32.576 0.300 1 626 60 60 GLU CG C 35.632 0.300 1 627 60 60 GLU N N 119.350 0.300 1 628 61 61 ILE H H 9.181 0.030 1 629 61 61 ILE HA H 3.589 0.030 1 630 61 61 ILE HB H 1.961 0.030 1 631 61 61 ILE HD1 H 0.732 0.030 1 632 61 61 ILE HG12 H 1.554 0.030 2 633 61 61 ILE HG13 H 1.294 0.030 2 634 61 61 ILE HG2 H 0.743 0.030 1 635 61 61 ILE C C 175.503 0.300 1 636 61 61 ILE CA C 62.359 0.300 1 637 61 61 ILE CB C 36.774 0.300 1 638 61 61 ILE CD1 C 11.461 0.300 1 639 61 61 ILE CG1 C 27.849 0.300 1 640 61 61 ILE CG2 C 16.998 0.300 1 641 61 61 ILE N N 127.216 0.300 1 642 62 62 LEU H H 8.187 0.030 1 643 62 62 LEU HA H 4.544 0.030 1 644 62 62 LEU HB2 H 2.066 0.030 2 645 62 62 LEU HB3 H 1.420 0.030 2 646 62 62 LEU HD1 H 0.815 0.030 1 647 62 62 LEU HD2 H 0.754 0.030 1 648 62 62 LEU HG H 1.570 0.030 1 649 62 62 LEU C C 176.802 0.300 1 650 62 62 LEU CA C 56.040 0.300 1 651 62 62 LEU CB C 42.034 0.300 1 652 62 62 LEU CD1 C 25.754 0.300 2 653 62 62 LEU CD2 C 22.310 0.300 2 654 62 62 LEU CG C 27.249 0.300 1 655 62 62 LEU N N 128.577 0.300 1 656 63 63 VAL H H 7.621 0.030 1 657 63 63 VAL HA H 4.047 0.030 1 658 63 63 VAL HB H 2.191 0.030 1 659 63 63 VAL HG1 H 0.817 0.030 1 660 63 63 VAL HG2 H 0.780 0.030 1 661 63 63 VAL C C 174.325 0.300 1 662 63 63 VAL CA C 62.193 0.300 1 663 63 63 VAL CB C 34.521 0.300 1 664 63 63 VAL CG1 C 20.456 0.300 2 665 63 63 VAL CG2 C 20.708 0.300 2 666 63 63 VAL N N 120.921 0.300 1 667 64 64 ALA H H 8.362 0.030 1 668 64 64 ALA HA H 4.056 0.030 1 669 64 64 ALA HB H 1.372 0.030 1 670 64 64 ALA C C 178.103 0.300 1 671 64 64 ALA CA C 52.103 0.300 1 672 64 64 ALA CB C 19.754 0.300 1 673 64 64 ALA N N 127.282 0.300 1 674 65 65 LEU H H 8.108 0.030 1 675 65 65 LEU HA H 4.238 0.030 1 676 65 65 LEU HB2 H 1.630 0.030 2 677 65 65 LEU HB3 H 1.573 0.030 2 678 65 65 LEU HD1 H 0.902 0.030 1 679 65 65 LEU HD2 H 0.756 0.030 1 680 65 65 LEU HG H 1.553 0.030 1 681 65 65 LEU C C 175.602 0.300 1 682 65 65 LEU CA C 53.757 0.300 1 683 65 65 LEU CB C 41.696 0.300 1 684 65 65 LEU CD1 C 25.652 0.300 2 685 65 65 LEU CD2 C 23.851 0.300 2 686 65 65 LEU CG C 27.275 0.300 1 687 65 65 LEU N N 119.543 0.300 1 688 66 66 PRO HA H 4.405 0.030 1 689 66 66 PRO HB2 H 2.251 0.030 2 690 66 66 PRO HB3 H 1.879 0.030 2 691 66 66 PRO HD2 H 3.770 0.030 2 692 66 66 PRO HD3 H 3.666 0.030 2 693 66 66 PRO HG2 H 2.028 0.030 1 694 66 66 PRO HG3 H 2.028 0.030 1 695 66 66 PRO C C 176.500 0.300 1 696 66 66 PRO CA C 63.144 0.300 1 697 66 66 PRO CB C 31.916 0.300 1 698 66 66 PRO CD C 50.482 0.300 1 699 66 66 PRO CG C 27.391 0.300 1 700 67 67 HIS H H 8.343 0.030 1 701 67 67 HIS HA H 4.653 0.030 1 702 67 67 HIS HB2 H 3.156 0.030 1 703 67 67 HIS HB3 H 3.156 0.030 1 704 67 67 HIS HD2 H 7.096 0.030 1 705 67 67 HIS C C 175.189 0.300 1 706 67 67 HIS CA C 56.075 0.300 1 707 67 67 HIS CB C 30.551 0.300 1 708 67 67 HIS CD2 C 120.109 0.300 1 709 67 67 HIS N N 119.644 0.300 1 710 68 68 SER H H 8.300 0.030 1 711 68 68 SER HA H 4.525 0.030 1 712 68 68 SER HB2 H 3.836 0.030 2 713 68 68 SER C C 174.413 0.300 1 714 68 68 SER CA C 58.138 0.300 1 715 68 68 SER CB C 64.066 0.300 1 716 68 68 SER N N 117.919 0.300 1 717 69 69 GLY H H 8.298 0.030 1 718 69 69 GLY HA2 H 4.132 0.030 1 719 69 69 GLY HA3 H 4.132 0.030 1 720 69 69 GLY C C 171.717 0.300 1 721 69 69 GLY CA C 44.615 0.300 1 722 69 69 GLY N N 110.990 0.300 1 723 70 70 PRO HA H 4.489 0.030 1 724 70 70 PRO HB2 H 2.301 0.030 2 725 70 70 PRO HB3 H 1.986 0.030 2 726 70 70 PRO HD2 H 3.636 0.030 1 727 70 70 PRO HD3 H 3.636 0.030 1 728 70 70 PRO HG2 H 2.028 0.030 1 729 70 70 PRO HG3 H 2.028 0.030 1 730 70 70 PRO C C 177.472 0.300 1 731 70 70 PRO CA C 63.263 0.300 1 732 70 70 PRO CB C 32.252 0.300 1 733 70 70 PRO CD C 49.795 0.300 1 734 70 70 PRO CG C 27.213 0.300 1 735 71 71 SER H H 8.558 0.030 1 736 71 71 SER HA H 4.501 0.030 1 737 71 71 SER HB2 H 3.895 0.030 2 738 71 71 SER C C 174.679 0.300 1 739 71 71 SER CA C 58.349 0.300 1 740 71 71 SER CB C 63.983 0.300 1 741 71 71 SER N N 116.602 0.300 1 742 72 72 SER H H 8.345 0.030 1 743 72 72 SER C C 173.975 0.300 1 744 72 72 SER CA C 58.402 0.300 1 745 72 72 SER CB C 63.659 0.300 1 746 72 72 SER N N 117.883 0.300 1 stop_ save_