data_10212 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SH3 domain of the human SRC-like adopter protein (SLAP) ; _BMRB_accession_number 10212 _BMRB_flat_file_name bmr10212.str _Entry_type new _Submission_date 2008-04-09 _Accession_date 2008-04-10 _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 Ohnishi S. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Sato M. . . 5 Nameki N. . . 6 Koshiba S. . . 7 Inoue M. . . 8 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" 403 "13C chemical shifts" 304 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the SH3 domain of the human SRC-like adopter protein (SLAP) ; _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 Ohnishi S. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Sato M. . . 5 Nameki N. . . 6 Koshiba S. . . 7 Inoue M. . . 8 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 SRC-like-adapter _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 79 _Mol_residue_sequence ; GSSGSSGPLPNPEGLDSDFL AVLSDYPSPDISPPIFRRGE KLRVISDEGGWWKAISLSTG RESYIPGICVARVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 LEU 10 PRO 11 ASN 12 PRO 13 GLU 14 GLY 15 LEU 16 ASP 17 SER 18 ASP 19 PHE 20 LEU 21 ALA 22 VAL 23 LEU 24 SER 25 ASP 26 TYR 27 PRO 28 SER 29 PRO 30 ASP 31 ILE 32 SER 33 PRO 34 PRO 35 ILE 36 PHE 37 ARG 38 ARG 39 GLY 40 GLU 41 LYS 42 LEU 43 ARG 44 VAL 45 ILE 46 SER 47 ASP 48 GLU 49 GLY 50 GLY 51 TRP 52 TRP 53 LYS 54 ALA 55 ILE 56 SER 57 LEU 58 SER 59 THR 60 GLY 61 ARG 62 GLU 63 SER 64 TYR 65 ILE 66 PRO 67 GLY 68 ILE 69 CYS 70 VAL 71 ALA 72 ARG 73 VAL 74 SER 75 GLY 76 PRO 77 SER 78 SER 79 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2CUD "Solution Structure Of The Sh3 Domain Of The Human Src-Like Adopter Protein (Slap)" 100.00 79 100.00 100.00 1.03e-45 DBJ BAA13758 "Src-like adapter protein [Homo sapiens]" 83.54 276 100.00 100.00 1.85e-37 DBJ BAE89471 "unnamed protein product [Macaca fascicularis]" 83.54 276 100.00 100.00 1.34e-37 DBJ BAG35478 "unnamed protein product [Homo sapiens]" 83.54 276 100.00 100.00 1.85e-37 DBJ BAG73760 "Src-like-adaptor [synthetic construct]" 83.54 276 100.00 100.00 1.85e-37 DBJ BAH12578 "unnamed protein product [Homo sapiens]" 83.54 249 100.00 100.00 1.11e-37 EMBL CAB53536 "Src-like adaptor protein [Homo sapiens]" 73.42 72 98.28 98.28 1.04e-30 EMBL CAG38774 "SLA [Homo sapiens]" 83.54 276 100.00 100.00 1.85e-37 GB AAC27662 "Src-like adapter protein [Homo sapiens]" 83.54 276 100.00 100.00 1.85e-37 GB AAC50357 "src-like adapter protein [Homo sapiens]" 83.54 276 100.00 100.00 1.85e-37 GB AAH07042 "Src-like-adaptor [Homo sapiens]" 83.54 276 100.00 100.00 1.85e-37 GB AAV38795 "Src-like-adaptor [synthetic construct]" 83.54 277 100.00 100.00 1.81e-37 GB AAV38796 "Src-like-adaptor [synthetic construct]" 83.54 277 98.48 98.48 7.68e-37 PRF 2204265A "Src-like adapter protein" 83.54 276 100.00 100.00 1.85e-37 REF NP_001039021 "src-like-adapter isoform a [Homo sapiens]" 83.54 276 100.00 100.00 1.85e-37 REF NP_001039022 "src-like-adapter isoform b [Homo sapiens]" 83.54 293 100.00 100.00 2.68e-37 REF NP_001269893 "src-like-adapter isoform d [Homo sapiens]" 83.54 249 100.00 100.00 1.11e-37 REF NP_001274231 "Src-like-adaptor [Macaca fascicularis]" 83.54 276 100.00 100.00 1.34e-37 REF NP_006739 "src-like-adapter isoform c [Homo sapiens]" 83.54 316 100.00 100.00 5.54e-37 SP Q13239 "RecName: Full=Src-like-adapter; AltName: Full=Src-like-adapter protein 1; Short=SLAP-1; Short=hSLAP" 83.54 276 100.00 100.00 1.85e-37 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 P040921-09 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 1.28 mM '[U-13C; U-15N]' d-TrisHCl 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 20030801 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 0.9295 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 900 _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 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 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' _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 CA C 58.416 0.300 1 2 6 6 SER HA H 4.653 0.030 1 3 6 6 SER CB C 64.409 0.300 1 4 6 6 SER HB2 H 3.868 0.030 2 5 7 7 GLY N N 110.730 0.300 1 6 7 7 GLY H H 8.205 0.030 1 7 8 8 PRO CA C 62.968 0.300 1 8 8 8 PRO HA H 4.423 0.030 1 9 8 8 PRO CB C 32.070 0.300 1 10 8 8 PRO HB2 H 1.897 0.030 2 11 8 8 PRO HB3 H 2.232 0.030 2 12 8 8 PRO CG C 26.955 0.300 1 13 8 8 PRO HG2 H 1.976 0.030 2 14 8 8 PRO CD C 49.843 0.300 1 15 8 8 PRO HD2 H 3.593 0.030 2 16 9 9 LEU N N 123.783 0.300 1 17 9 9 LEU H H 8.369 0.030 1 18 9 9 LEU CA C 53.002 0.300 1 19 9 9 LEU HA H 4.594 0.030 1 20 9 9 LEU CB C 41.805 0.300 1 21 9 9 LEU HB2 H 1.585 0.030 2 22 9 9 LEU HB3 H 1.553 0.030 2 23 9 9 LEU CG C 27.123 0.300 1 24 9 9 LEU HG H 1.699 0.030 1 25 9 9 LEU CD1 C 23.411 0.300 2 26 9 9 LEU HD1 H 0.918 0.030 1 27 9 9 LEU CD2 C 23.243 0.300 2 28 9 9 LEU HD2 H 0.940 0.030 1 29 10 10 PRO CA C 62.994 0.300 1 30 10 10 PRO HA H 4.389 0.030 1 31 10 10 PRO CB C 31.948 0.300 1 32 10 10 PRO HB2 H 2.263 0.030 2 33 10 10 PRO HB3 H 1.854 0.030 2 34 10 10 PRO CG C 27.121 0.300 1 35 10 10 PRO HG2 H 1.932 0.030 2 36 10 10 PRO HG3 H 2.005 0.030 2 37 10 10 PRO CD C 50.487 0.300 1 38 10 10 PRO HD2 H 3.629 0.030 2 39 10 10 PRO HD3 H 3.815 0.030 2 40 11 11 ASN N N 120.999 0.300 1 41 11 11 ASN H H 8.051 0.030 1 42 11 11 ASN CA C 51.363 0.300 1 43 11 11 ASN HA H 4.931 0.030 1 44 11 11 ASN CB C 38.778 0.300 1 45 11 11 ASN HB2 H 2.844 0.030 2 46 11 11 ASN HB3 H 2.710 0.030 2 47 11 11 ASN ND2 N 113.119 0.300 1 48 11 11 ASN HD21 H 7.693 0.030 2 49 11 11 ASN HD22 H 7.027 0.030 2 50 12 12 PRO CA C 63.779 0.300 1 51 12 12 PRO HA H 4.399 0.030 1 52 12 12 PRO CB C 32.071 0.300 1 53 12 12 PRO HB2 H 2.272 0.030 2 54 12 12 PRO HB3 H 1.964 0.030 2 55 12 12 PRO CG C 27.331 0.300 1 56 12 12 PRO HG2 H 2.010 0.030 2 57 12 12 PRO CD C 50.483 0.300 1 58 12 12 PRO HD2 H 3.748 0.030 2 59 12 12 PRO HD3 H 3.805 0.030 2 60 12 12 PRO C C 177.129 0.300 1 61 13 13 GLU N N 119.898 0.300 1 62 13 13 GLU H H 8.458 0.030 1 63 13 13 GLU CA C 56.837 0.300 1 64 13 13 GLU HA H 4.275 0.030 1 65 13 13 GLU CB C 30.141 0.300 1 66 13 13 GLU HB2 H 2.077 0.030 2 67 13 13 GLU HB3 H 1.950 0.030 2 68 13 13 GLU CG C 36.460 0.300 1 69 13 13 GLU HG2 H 2.270 0.030 2 70 13 13 GLU HG3 H 2.270 0.030 2 71 13 13 GLU C C 177.080 0.300 1 72 14 14 GLY N N 109.219 0.300 1 73 14 14 GLY H H 8.282 0.030 1 74 14 14 GLY CA C 45.532 0.300 1 75 14 14 GLY HA2 H 3.959 0.030 2 76 14 14 GLY C C 174.191 0.300 1 77 15 15 LEU N N 121.302 0.300 1 78 15 15 LEU H H 8.078 0.030 1 79 15 15 LEU CA C 55.115 0.300 1 80 15 15 LEU HA H 4.396 0.030 1 81 15 15 LEU CB C 42.592 0.300 1 82 15 15 LEU HB2 H 1.613 0.030 2 83 15 15 LEU HB3 H 1.613 0.030 2 84 15 15 LEU CG C 26.954 0.300 1 85 15 15 LEU HG H 1.605 0.030 1 86 15 15 LEU CD1 C 25.093 0.300 2 87 15 15 LEU HD1 H 0.900 0.030 1 88 15 15 LEU CD2 C 23.415 0.300 2 89 15 15 LEU HD2 H 0.854 0.030 1 90 15 15 LEU C C 177.250 0.300 1 91 16 16 ASP N N 120.881 0.300 1 92 16 16 ASP H H 8.451 0.030 1 93 16 16 ASP CA C 54.514 0.300 1 94 16 16 ASP HA H 4.644 0.030 1 95 16 16 ASP CB C 41.138 0.300 1 96 16 16 ASP HB2 H 2.719 0.030 2 97 16 16 ASP HB3 H 2.631 0.030 2 98 16 16 ASP C C 176.157 0.300 1 99 17 17 SER N N 115.170 0.300 1 100 17 17 SER H H 8.063 0.030 1 101 17 17 SER CA C 58.242 0.300 1 102 17 17 SER HA H 4.464 0.030 1 103 17 17 SER CB C 64.595 0.300 1 104 17 17 SER HB2 H 3.736 0.030 2 105 17 17 SER HB3 H 3.673 0.030 2 106 17 17 SER C C 173.049 0.300 1 107 18 18 ASP N N 121.851 0.300 1 108 18 18 ASP H H 8.228 0.030 1 109 18 18 ASP CA C 54.019 0.300 1 110 18 18 ASP HA H 4.792 0.030 1 111 18 18 ASP CB C 41.962 0.300 1 112 18 18 ASP HB2 H 2.503 0.030 2 113 18 18 ASP HB3 H 2.364 0.030 2 114 18 18 ASP C C 174.798 0.300 1 115 19 19 PHE N N 117.691 0.300 1 116 19 19 PHE H H 8.235 0.030 1 117 19 19 PHE CA C 56.318 0.300 1 118 19 19 PHE HA H 5.362 0.030 1 119 19 19 PHE CB C 42.237 0.300 1 120 19 19 PHE HB2 H 2.783 0.030 2 121 19 19 PHE HB3 H 2.908 0.030 2 122 19 19 PHE CD1 C 131.973 0.300 1 123 19 19 PHE HD1 H 7.114 0.030 1 124 19 19 PHE CD2 C 131.973 0.300 1 125 19 19 PHE HD2 H 7.114 0.030 1 126 19 19 PHE CE1 C 131.283 0.300 1 127 19 19 PHE HE1 H 7.280 0.030 1 128 19 19 PHE CE2 C 131.283 0.300 1 129 19 19 PHE HE2 H 7.280 0.030 1 130 19 19 PHE CZ C 129.816 0.300 1 131 19 19 PHE HZ H 7.287 0.030 1 132 19 19 PHE C C 174.361 0.300 1 133 20 20 LEU N N 118.643 0.300 1 134 20 20 LEU H H 8.974 0.030 1 135 20 20 LEU CA C 52.475 0.300 1 136 20 20 LEU HA H 4.917 0.030 1 137 20 20 LEU CB C 45.521 0.300 1 138 20 20 LEU HB2 H 1.128 0.030 2 139 20 20 LEU HB3 H 0.763 0.030 2 140 20 20 LEU CG C 25.506 0.300 1 141 20 20 LEU HG H 0.903 0.030 1 142 20 20 LEU CD1 C 24.923 0.300 2 143 20 20 LEU HD1 H -0.106 0.030 1 144 20 20 LEU CD2 C 20.677 0.300 2 145 20 20 LEU HD2 H -0.325 0.030 1 146 20 20 LEU C C 175.332 0.300 1 147 21 21 ALA N N 123.838 0.300 1 148 21 21 ALA H H 9.122 0.030 1 149 21 21 ALA CA C 50.102 0.300 1 150 21 21 ALA HA H 4.996 0.030 1 151 21 21 ALA CB C 20.907 0.300 1 152 21 21 ALA HB H 1.202 0.030 1 153 21 21 ALA C C 176.983 0.300 1 154 22 22 VAL N N 121.277 0.300 1 155 22 22 VAL H H 8.391 0.030 1 156 22 22 VAL CA C 63.624 0.300 1 157 22 22 VAL HA H 3.956 0.030 1 158 22 22 VAL CB C 31.171 0.300 1 159 22 22 VAL HB H 2.195 0.030 1 160 22 22 VAL CG1 C 23.371 0.300 2 161 22 22 VAL HG1 H 0.750 0.030 1 162 22 22 VAL CG2 C 23.236 0.300 2 163 22 22 VAL HG2 H 0.682 0.030 1 164 22 22 VAL C C 177.857 0.300 1 165 23 23 LEU N N 130.453 0.300 1 166 23 23 LEU H H 9.358 0.030 1 167 23 23 LEU CA C 56.033 0.300 1 168 23 23 LEU HA H 4.282 0.030 1 169 23 23 LEU CB C 43.031 0.300 1 170 23 23 LEU HB2 H 1.521 0.030 2 171 23 23 LEU HB3 H 1.521 0.030 2 172 23 23 LEU CG C 26.757 0.300 1 173 23 23 LEU HG H 1.469 0.030 1 174 23 23 LEU CD1 C 25.473 0.300 2 175 23 23 LEU HD1 H 0.740 0.030 1 176 23 23 LEU CD2 C 21.669 0.300 2 177 23 23 LEU HD2 H 0.713 0.030 1 178 23 23 LEU C C 176.983 0.300 1 179 24 24 SER N N 112.624 0.300 1 180 24 24 SER H H 7.414 0.030 1 181 24 24 SER CA C 56.671 0.300 1 182 24 24 SER HA H 4.559 0.030 1 183 24 24 SER CB C 65.527 0.300 1 184 24 24 SER HB2 H 3.842 0.030 2 185 24 24 SER HB3 H 3.712 0.030 2 186 24 24 SER C C 170.646 0.300 1 187 25 25 ASP N N 121.157 0.300 1 188 25 25 ASP H H 8.438 0.030 1 189 25 25 ASP CA C 55.553 0.300 1 190 25 25 ASP HA H 4.621 0.030 1 191 25 25 ASP CB C 41.188 0.300 1 192 25 25 ASP HB2 H 2.605 0.030 2 193 26 26 TYR N N 120.949 0.300 1 194 26 26 TYR H H 9.006 0.030 1 195 26 26 TYR CA C 55.794 0.300 1 196 26 26 TYR HA H 4.769 0.030 1 197 26 26 TYR CB C 43.171 0.300 1 198 26 26 TYR HB2 H 2.856 0.030 2 199 26 26 TYR HB3 H 3.338 0.030 2 200 26 26 TYR CD1 C 133.267 0.300 1 201 26 26 TYR HD1 H 7.371 0.030 1 202 26 26 TYR CD2 C 133.267 0.300 1 203 26 26 TYR HD2 H 7.371 0.030 1 204 26 26 TYR CE1 C 118.740 0.300 1 205 26 26 TYR HE1 H 7.103 0.030 1 206 26 26 TYR CE2 C 118.740 0.300 1 207 26 26 TYR HE2 H 7.103 0.030 1 208 27 27 PRO CA C 62.928 0.300 1 209 27 27 PRO HA H 3.750 0.030 1 210 27 27 PRO CB C 33.803 0.300 1 211 27 27 PRO HB2 H 1.931 0.030 2 212 27 27 PRO HB3 H 1.714 0.030 2 213 27 27 PRO CG C 25.963 0.300 1 214 27 27 PRO HG2 H 1.168 0.030 2 215 27 27 PRO HG3 H 1.635 0.030 2 216 27 27 PRO CD C 49.857 0.300 1 217 27 27 PRO HD2 H 3.299 0.030 2 218 27 27 PRO HD3 H 3.230 0.030 2 219 27 27 PRO C C 173.244 0.300 1 220 28 28 SER N N 112.815 0.300 1 221 28 28 SER H H 7.927 0.030 1 222 28 28 SER CA C 56.518 0.300 1 223 28 28 SER HA H 4.501 0.030 1 224 28 28 SER CB C 63.124 0.300 1 225 28 28 SER HB2 H 3.863 0.030 2 226 28 28 SER HB3 H 4.089 0.030 2 227 28 28 SER C C 174.943 0.300 1 228 29 29 PRO CA C 64.495 0.300 1 229 29 29 PRO HA H 4.570 0.030 1 230 29 29 PRO CB C 31.364 0.300 1 231 29 29 PRO HB2 H 2.175 0.030 2 232 29 29 PRO HB3 H 1.978 0.030 2 233 29 29 PRO CG C 27.448 0.300 1 234 29 29 PRO HG2 H 2.102 0.030 2 235 29 29 PRO HG3 H 2.006 0.030 2 236 29 29 PRO CD C 50.928 0.300 1 237 29 29 PRO HD2 H 3.875 0.030 2 238 29 29 PRO HD3 H 3.726 0.030 2 239 29 29 PRO C C 177.299 0.300 1 240 30 30 ASP N N 116.144 0.300 1 241 30 30 ASP H H 8.627 0.030 1 242 30 30 ASP CA C 55.093 0.300 1 243 30 30 ASP HA H 4.325 0.030 1 244 30 30 ASP CB C 39.325 0.300 1 245 30 30 ASP HB2 H 2.651 0.030 2 246 30 30 ASP HB3 H 2.577 0.030 2 247 30 30 ASP C C 175.939 0.300 1 248 31 31 ILE N N 121.272 0.300 1 249 31 31 ILE H H 8.301 0.030 1 250 31 31 ILE CA C 62.206 0.300 1 251 31 31 ILE HA H 4.037 0.030 1 252 31 31 ILE CB C 38.327 0.300 1 253 31 31 ILE HB H 2.039 0.030 1 254 31 31 ILE CG1 C 27.218 0.300 1 255 31 31 ILE HG12 H 1.430 0.030 2 256 31 31 ILE HG13 H 1.165 0.030 2 257 31 31 ILE CG2 C 16.751 0.300 1 258 31 31 ILE HG2 H 0.855 0.030 1 259 31 31 ILE CD1 C 11.666 0.300 1 260 31 31 ILE HD1 H 0.807 0.030 1 261 31 31 ILE C C 176.084 0.300 1 262 32 32 SER N N 114.541 0.300 1 263 32 32 SER H H 7.997 0.030 1 264 32 32 SER CA C 57.382 0.300 1 265 32 32 SER HA H 4.643 0.030 1 266 32 32 SER CB C 63.850 0.300 1 267 32 32 SER HB2 H 3.643 0.030 2 268 32 32 SER HB3 H 3.831 0.030 2 269 32 32 SER C C 169.844 0.300 1 270 33 33 PRO CA C 61.486 0.300 1 271 33 33 PRO HA H 4.543 0.030 1 272 33 33 PRO CB C 30.836 0.300 1 273 33 33 PRO HB2 H 1.670 0.030 2 274 33 33 PRO HB3 H 2.291 0.030 2 275 33 33 PRO CG C 28.190 0.300 1 276 33 33 PRO HG2 H 1.865 0.030 2 277 33 33 PRO HG3 H 2.018 0.030 2 278 33 33 PRO CD C 50.508 0.300 1 279 33 33 PRO HD2 H 3.521 0.030 2 280 33 33 PRO HD3 H 3.662 0.030 2 281 34 34 PRO CA C 63.980 0.300 1 282 34 34 PRO HA H 4.093 0.030 1 283 34 34 PRO CB C 32.359 0.300 1 284 34 34 PRO HB2 H 2.197 0.030 2 285 34 34 PRO HB3 H 1.558 0.030 2 286 34 34 PRO CG C 27.218 0.300 1 287 34 34 PRO HG2 H 1.930 0.030 2 288 34 34 PRO HG3 H 2.147 0.030 2 289 34 34 PRO CD C 50.393 0.300 1 290 34 34 PRO HD2 H 3.836 0.030 2 291 34 34 PRO HD3 H 3.532 0.030 2 292 35 35 ILE N N 125.558 0.300 1 293 35 35 ILE H H 9.396 0.030 1 294 35 35 ILE CA C 63.159 0.300 1 295 35 35 ILE HA H 3.803 0.030 1 296 35 35 ILE CB C 39.592 0.300 1 297 35 35 ILE HB H 1.535 0.030 1 298 35 35 ILE CG1 C 28.363 0.300 1 299 35 35 ILE HG12 H 0.951 0.030 2 300 35 35 ILE HG13 H 1.520 0.030 2 301 35 35 ILE CG2 C 16.103 0.300 1 302 35 35 ILE HG2 H 0.109 0.030 1 303 35 35 ILE CD1 C 13.173 0.300 1 304 35 35 ILE HD1 H 0.855 0.030 1 305 36 36 PHE N N 116.860 0.300 1 306 36 36 PHE H H 8.089 0.030 1 307 36 36 PHE CA C 54.651 0.300 1 308 36 36 PHE HA H 5.358 0.030 1 309 36 36 PHE CB C 43.477 0.300 1 310 36 36 PHE HB2 H 2.778 0.030 2 311 36 36 PHE HB3 H 3.125 0.030 2 312 36 36 PHE CD1 C 132.459 0.300 1 313 36 36 PHE HD1 H 7.334 0.030 1 314 36 36 PHE CD2 C 132.459 0.300 1 315 36 36 PHE HD2 H 7.334 0.030 1 316 36 36 PHE CE1 C 131.089 0.300 1 317 36 36 PHE HE1 H 7.062 0.030 1 318 36 36 PHE CE2 C 131.089 0.300 1 319 36 36 PHE HE2 H 7.062 0.030 1 320 36 36 PHE CZ C 131.934 0.300 1 321 36 36 PHE HZ H 7.114 0.030 1 322 36 36 PHE C C 174.409 0.300 1 323 37 37 ARG N N 121.329 0.300 1 324 37 37 ARG H H 9.277 0.030 1 325 37 37 ARG CA C 53.960 0.300 1 326 37 37 ARG HA H 4.892 0.030 1 327 37 37 ARG CB C 32.913 0.300 1 328 37 37 ARG HB2 H 1.881 0.030 2 329 37 37 ARG HB3 H 1.738 0.030 2 330 37 37 ARG CG C 28.147 0.300 1 331 37 37 ARG HG2 H 1.657 0.030 2 332 37 37 ARG HG3 H 1.507 0.030 2 333 37 37 ARG CD C 43.006 0.300 1 334 37 37 ARG HD2 H 3.127 0.030 2 335 37 37 ARG C C 175.817 0.300 1 336 38 38 ARG N N 119.834 0.300 1 337 38 38 ARG H H 8.827 0.030 1 338 38 38 ARG CA C 58.285 0.300 1 339 38 38 ARG HA H 3.445 0.030 1 340 38 38 ARG CB C 30.138 0.300 1 341 38 38 ARG HB2 H 1.598 0.030 2 342 38 38 ARG HB3 H 1.731 0.030 2 343 38 38 ARG CG C 26.727 0.300 1 344 38 38 ARG HG2 H 1.432 0.030 2 345 38 38 ARG HG3 H 1.530 0.030 2 346 38 38 ARG CD C 43.612 0.300 1 347 38 38 ARG HD2 H 3.197 0.030 2 348 38 38 ARG HD3 H 3.275 0.030 2 349 38 38 ARG C C 177.007 0.300 1 350 39 39 GLY N N 115.475 0.300 1 351 39 39 GLY H H 8.958 0.030 1 352 39 39 GLY CA C 44.710 0.300 1 353 39 39 GLY HA2 H 4.430 0.030 2 354 39 39 GLY HA3 H 3.632 0.030 2 355 39 39 GLY C C 174.603 0.300 1 356 40 40 GLU N N 122.920 0.300 1 357 40 40 GLU H H 8.291 0.030 1 358 40 40 GLU CA C 58.394 0.300 1 359 40 40 GLU HA H 4.152 0.030 1 360 40 40 GLU CB C 31.865 0.300 1 361 40 40 GLU HB2 H 2.068 0.030 2 362 40 40 GLU HB3 H 2.258 0.030 2 363 40 40 GLU CG C 37.992 0.300 1 364 40 40 GLU HG2 H 2.342 0.030 2 365 40 40 GLU HG3 H 2.510 0.030 2 366 40 40 GLU C C 174.652 0.300 1 367 41 41 LYS N N 121.488 0.300 1 368 41 41 LYS H H 8.275 0.030 1 369 41 41 LYS CA C 54.762 0.300 1 370 41 41 LYS HA H 5.246 0.030 1 371 41 41 LYS CB C 34.526 0.300 1 372 41 41 LYS HB2 H 1.599 0.030 2 373 41 41 LYS HB3 H 1.727 0.030 2 374 41 41 LYS CG C 25.377 0.300 1 375 41 41 LYS HG2 H 1.272 0.030 2 376 41 41 LYS HG3 H 1.441 0.030 2 377 41 41 LYS CD C 29.142 0.300 1 378 41 41 LYS HD2 H 1.386 0.030 2 379 41 41 LYS HD3 H 1.386 0.030 2 380 41 41 LYS CE C 41.907 0.300 1 381 41 41 LYS HE2 H 2.657 0.030 2 382 41 41 LYS HE3 H 2.589 0.030 2 383 41 41 LYS C C 175.599 0.300 1 384 42 42 LEU N N 122.324 0.300 1 385 42 42 LEU H H 9.432 0.030 1 386 42 42 LEU CA C 51.939 0.300 1 387 42 42 LEU HA H 5.167 0.030 1 388 42 42 LEU CB C 44.965 0.300 1 389 42 42 LEU HB2 H 1.209 0.030 2 390 42 42 LEU HB3 H 1.034 0.030 2 391 42 42 LEU CG C 26.726 0.300 1 392 42 42 LEU HG H 1.173 0.030 1 393 42 42 LEU CD1 C 25.041 0.300 2 394 42 42 LEU HD1 H -0.090 0.030 1 395 42 42 LEU CD2 C 23.232 0.300 2 396 42 42 LEU HD2 H 0.140 0.030 1 397 42 42 LEU C C 176.084 0.300 1 398 43 43 ARG N N 122.124 0.300 1 399 43 43 ARG H H 9.275 0.030 1 400 43 43 ARG CA C 54.650 0.300 1 401 43 43 ARG HA H 4.699 0.030 1 402 43 43 ARG CB C 32.466 0.300 1 403 43 43 ARG HB2 H 1.791 0.030 2 404 43 43 ARG HB3 H 1.653 0.030 2 405 43 43 ARG CG C 27.522 0.300 1 406 43 43 ARG HG2 H 1.368 0.030 2 407 43 43 ARG HG3 H 1.417 0.030 2 408 43 43 ARG CD C 43.410 0.300 1 409 43 43 ARG HD2 H 3.130 0.030 2 410 43 43 ARG HD3 H 3.132 0.030 2 411 43 43 ARG NE N 83.177 0.300 1 412 43 43 ARG HE H 7.295 0.030 1 413 43 43 ARG C C 175.817 0.300 1 414 44 44 VAL N N 126.032 0.300 1 415 44 44 VAL H H 8.398 0.030 1 416 44 44 VAL CA C 65.283 0.300 1 417 44 44 VAL HA H 3.476 0.030 1 418 44 44 VAL CB C 33.251 0.300 1 419 44 44 VAL HB H 1.887 0.030 1 420 44 44 VAL CG1 C 21.580 0.300 2 421 44 44 VAL HG1 H 0.997 0.030 1 422 44 44 VAL CG2 C 22.675 0.300 2 423 44 44 VAL HG2 H 0.515 0.030 1 424 44 44 VAL C C 176.036 0.300 1 425 45 45 ILE N N 127.197 0.300 1 426 45 45 ILE H H 9.132 0.030 1 427 45 45 ILE CA C 62.473 0.300 1 428 45 45 ILE HA H 4.213 0.030 1 429 45 45 ILE CB C 38.423 0.300 1 430 45 45 ILE HB H 1.456 0.030 1 431 45 45 ILE CG1 C 27.341 0.300 1 432 45 45 ILE HG12 H 1.096 0.030 2 433 45 45 ILE HG13 H 1.433 0.030 2 434 45 45 ILE CG2 C 17.285 0.300 1 435 45 45 ILE HG2 H 0.889 0.030 1 436 45 45 ILE CD1 C 12.638 0.300 1 437 45 45 ILE HD1 H 0.694 0.030 1 438 45 45 ILE C C 176.303 0.300 1 439 46 46 SER N N 111.976 0.300 1 440 46 46 SER H H 8.237 0.030 1 441 46 46 SER CA C 57.978 0.300 1 442 46 46 SER HA H 4.663 0.030 1 443 46 46 SER CB C 64.726 0.300 1 444 46 46 SER HB2 H 3.839 0.030 2 445 46 46 SER C C 172.248 0.300 1 446 47 47 ASP N N 122.902 0.300 1 447 47 47 ASP H H 8.533 0.030 1 448 47 47 ASP CA C 53.299 0.300 1 449 47 47 ASP HA H 4.498 0.030 1 450 47 47 ASP CB C 41.710 0.300 1 451 47 47 ASP HB2 H 2.515 0.030 2 452 47 47 ASP HB3 H 2.240 0.030 2 453 47 47 ASP C C 175.866 0.300 1 454 48 48 GLU N N 123.914 0.300 1 455 48 48 GLU H H 8.232 0.030 1 456 48 48 GLU CA C 55.068 0.300 1 457 48 48 GLU HA H 4.490 0.030 1 458 48 48 GLU CB C 30.004 0.300 1 459 48 48 GLU HB2 H 2.166 0.030 2 460 48 48 GLU HB3 H 1.687 0.030 2 461 48 48 GLU CG C 35.807 0.300 1 462 48 48 GLU HG2 H 2.149 0.030 2 463 48 48 GLU C C 177.274 0.300 1 464 49 49 GLY N N 111.930 0.300 1 465 49 49 GLY H H 8.498 0.030 1 466 49 49 GLY CA C 47.360 0.300 1 467 49 49 GLY HA2 H 3.946 0.030 2 468 49 49 GLY HA3 H 3.730 0.030 2 469 49 49 GLY C C 174.919 0.300 1 470 50 50 GLY N N 110.329 0.300 1 471 50 50 GLY H H 8.678 0.030 1 472 50 50 GLY CA C 45.155 0.300 1 473 50 50 GLY HA2 H 4.176 0.030 2 474 50 50 GLY HA3 H 3.576 0.030 2 475 50 50 GLY C C 173.681 0.300 1 476 51 51 TRP N N 120.316 0.300 1 477 51 51 TRP H H 7.453 0.030 1 478 51 51 TRP CA C 56.282 0.300 1 479 51 51 TRP HA H 4.751 0.030 1 480 51 51 TRP CB C 32.006 0.300 1 481 51 51 TRP HB2 H 3.077 0.030 2 482 51 51 TRP HB3 H 3.000 0.030 2 483 51 51 TRP CD1 C 126.873 0.300 1 484 51 51 TRP HD1 H 7.147 0.030 1 485 51 51 TRP NE1 N 130.532 0.300 1 486 51 51 TRP HE1 H 10.210 0.030 1 487 51 51 TRP CE3 C 119.492 0.300 1 488 51 51 TRP HE3 H 7.239 0.030 1 489 51 51 TRP CZ2 C 114.919 0.300 1 490 51 51 TRP HZ2 H 7.468 0.030 1 491 51 51 TRP CZ3 C 121.507 0.300 1 492 51 51 TRP HZ3 H 6.942 0.030 1 493 51 51 TRP CH2 C 124.789 0.300 1 494 51 51 TRP HH2 H 7.314 0.030 1 495 51 51 TRP C C 174.093 0.300 1 496 52 52 TRP N N 120.915 0.300 1 497 52 52 TRP H H 9.122 0.030 1 498 52 52 TRP CA C 55.642 0.300 1 499 52 52 TRP HA H 5.214 0.030 1 500 52 52 TRP CB C 31.266 0.300 1 501 52 52 TRP HB2 H 2.924 0.030 2 502 52 52 TRP HB3 H 2.924 0.030 2 503 52 52 TRP CD1 C 125.802 0.300 1 504 52 52 TRP HD1 H 6.633 0.030 1 505 52 52 TRP NE1 N 127.860 0.300 1 506 52 52 TRP HE1 H 10.054 0.030 1 507 52 52 TRP CE3 C 120.302 0.300 1 508 52 52 TRP HE3 H 7.483 0.030 1 509 52 52 TRP CZ2 C 114.050 0.300 1 510 52 52 TRP HZ2 H 7.282 0.030 1 511 52 52 TRP CZ3 C 122.415 0.300 1 512 52 52 TRP HZ3 H 7.042 0.030 1 513 52 52 TRP CH2 C 124.644 0.300 1 514 52 52 TRP HH2 H 7.092 0.030 1 515 52 52 TRP C C 175.866 0.300 1 516 53 53 LYS N N 124.153 0.300 1 517 53 53 LYS H H 9.176 0.030 1 518 53 53 LYS CA C 56.186 0.300 1 519 53 53 LYS HA H 4.566 0.030 1 520 53 53 LYS CB C 33.332 0.300 1 521 53 53 LYS HB2 H 1.848 0.030 2 522 53 53 LYS HB3 H 1.278 0.030 2 523 53 53 LYS CG C 25.701 0.300 1 524 53 53 LYS HG2 H 0.572 0.030 2 525 53 53 LYS HG3 H 0.953 0.030 2 526 53 53 LYS CD C 29.094 0.300 1 527 53 53 LYS HD2 H 1.389 0.030 2 528 53 53 LYS HD3 H 1.389 0.030 2 529 53 53 LYS CE C 41.955 0.300 1 530 53 53 LYS HE2 H 2.664 0.030 2 531 53 53 LYS HE3 H 2.664 0.030 2 532 53 53 LYS C C 175.550 0.300 1 533 54 54 ALA N N 131.280 0.300 1 534 54 54 ALA H H 8.969 0.030 1 535 54 54 ALA CA C 51.190 0.300 1 536 54 54 ALA HA H 5.159 0.030 1 537 54 54 ALA CB C 25.152 0.300 1 538 54 54 ALA HB H 1.038 0.030 1 539 54 54 ALA C C 173.414 0.300 1 540 55 55 ILE N N 116.247 0.300 1 541 55 55 ILE H H 8.624 0.030 1 542 55 55 ILE CA C 57.882 0.300 1 543 55 55 ILE HA H 5.480 0.030 1 544 55 55 ILE CB C 42.374 0.300 1 545 55 55 ILE HB H 1.548 0.030 1 546 55 55 ILE CG1 C 28.348 0.300 1 547 55 55 ILE HG12 H 1.390 0.030 2 548 55 55 ILE HG13 H 0.885 0.030 2 549 55 55 ILE CG2 C 15.888 0.300 1 550 55 55 ILE HG2 H 0.898 0.030 1 551 55 55 ILE CD1 C 14.234 0.300 1 552 55 55 ILE HD1 H 0.884 0.030 1 553 55 55 ILE C C 175.308 0.300 1 554 56 56 SER N N 119.497 0.300 1 555 56 56 SER H H 8.757 0.030 1 556 56 56 SER CA C 58.186 0.300 1 557 56 56 SER HA H 4.633 0.030 1 558 56 56 SER CB C 63.065 0.300 1 559 56 56 SER HB2 H 4.253 0.030 2 560 56 56 SER C C 178.051 0.300 1 561 57 57 LEU N N 130.674 0.300 1 562 57 57 LEU H H 8.970 0.030 1 563 57 57 LEU CA C 57.046 0.300 1 564 57 57 LEU HA H 4.280 0.030 1 565 57 57 LEU CB C 41.413 0.300 1 566 57 57 LEU HB2 H 1.677 0.030 2 567 57 57 LEU HB3 H 1.772 0.030 2 568 57 57 LEU CG C 27.909 0.300 1 569 57 57 LEU HG H 1.723 0.030 1 570 57 57 LEU CD1 C 25.358 0.300 2 571 57 57 LEU HD1 H 0.838 0.030 1 572 57 57 LEU CD2 C 23.207 0.300 2 573 57 57 LEU HD2 H 0.938 0.030 1 574 57 57 LEU C C 177.469 0.300 1 575 58 58 SER N N 112.420 0.300 1 576 58 58 SER H H 8.615 0.030 1 577 58 58 SER CA C 59.677 0.300 1 578 58 58 SER HA H 4.649 0.030 1 579 58 58 SER CB C 63.934 0.300 1 580 58 58 SER HB2 H 3.916 0.030 2 581 58 58 SER C C 176.740 0.300 1 582 59 59 THR N N 109.093 0.300 1 583 59 59 THR H H 8.266 0.030 1 584 59 59 THR CA C 61.748 0.300 1 585 59 59 THR HA H 4.603 0.030 1 586 59 59 THR CB C 71.340 0.300 1 587 59 59 THR HB H 4.468 0.030 1 588 59 59 THR CG2 C 20.798 0.300 1 589 59 59 THR HG2 H 1.282 0.030 1 590 59 59 THR C C 176.910 0.300 1 591 60 60 GLY N N 110.368 0.300 1 592 60 60 GLY H H 7.840 0.030 1 593 60 60 GLY CA C 45.760 0.300 1 594 60 60 GLY HA2 H 3.805 0.030 2 595 60 60 GLY HA3 H 4.244 0.030 2 596 60 60 GLY C C 173.195 0.300 1 597 61 61 ARG N N 120.120 0.300 1 598 61 61 ARG H H 7.998 0.030 1 599 61 61 ARG CA C 57.008 0.300 1 600 61 61 ARG HA H 4.190 0.030 1 601 61 61 ARG CB C 30.743 0.300 1 602 61 61 ARG HB2 H 1.736 0.030 2 603 61 61 ARG HB3 H 1.675 0.030 2 604 61 61 ARG CG C 27.221 0.300 1 605 61 61 ARG HG2 H 1.510 0.030 2 606 61 61 ARG HG3 H 1.557 0.030 2 607 61 61 ARG CD C 43.253 0.300 1 608 61 61 ARG HD2 H 3.176 0.030 2 609 61 61 ARG HD3 H 3.124 0.030 2 610 61 61 ARG C C 174.676 0.300 1 611 62 62 GLU N N 125.622 0.300 1 612 62 62 GLU H H 8.607 0.030 1 613 62 62 GLU CA C 54.238 0.300 1 614 62 62 GLU HA H 5.542 0.030 1 615 62 62 GLU CB C 32.736 0.300 1 616 62 62 GLU HB2 H 1.958 0.030 2 617 62 62 GLU HB3 H 1.889 0.030 2 618 62 62 GLU CG C 36.662 0.300 1 619 62 62 GLU HG2 H 1.862 0.030 2 620 62 62 GLU HG3 H 2.093 0.030 2 621 62 62 GLU C C 176.546 0.300 1 622 63 63 SER N N 118.180 0.300 1 623 63 63 SER H H 8.954 0.030 1 624 63 63 SER CA C 57.795 0.300 1 625 63 63 SER HA H 4.542 0.030 1 626 63 63 SER CB C 64.704 0.300 1 627 63 63 SER HB2 H 3.865 0.030 2 628 63 63 SER HB3 H 3.591 0.030 2 629 63 63 SER C C 173.414 0.300 1 630 64 64 TYR N N 119.693 0.300 1 631 64 64 TYR H H 8.274 0.030 1 632 64 64 TYR CA C 57.909 0.300 1 633 64 64 TYR HA H 5.960 0.030 1 634 64 64 TYR CB C 41.172 0.300 1 635 64 64 TYR HB2 H 2.923 0.030 2 636 64 64 TYR HB3 H 3.054 0.030 2 637 64 64 TYR CD1 C 132.954 0.300 1 638 64 64 TYR HD1 H 7.022 0.030 1 639 64 64 TYR CD2 C 132.954 0.300 1 640 64 64 TYR HD2 H 7.022 0.030 1 641 64 64 TYR CE1 C 118.070 0.300 1 642 64 64 TYR HE1 H 6.710 0.030 1 643 64 64 TYR CE2 C 118.070 0.300 1 644 64 64 TYR HE2 H 6.710 0.030 1 645 65 65 ILE N N 119.714 0.300 1 646 65 65 ILE H H 9.510 0.030 1 647 65 65 ILE CA C 57.697 0.300 1 648 65 65 ILE HA H 4.751 0.030 1 649 65 65 ILE CB C 42.647 0.300 1 650 65 65 ILE HB H 1.840 0.030 1 651 65 65 ILE CG1 C 28.148 0.300 1 652 65 65 ILE HG12 H 1.011 0.030 2 653 65 65 ILE HG13 H 1.195 0.030 2 654 65 65 ILE CG2 C 15.424 0.300 1 655 65 65 ILE HG2 H 0.688 0.030 1 656 65 65 ILE CD1 C 14.280 0.300 1 657 65 65 ILE HD1 H 0.622 0.030 1 658 66 66 PRO CA C 62.773 0.300 1 659 66 66 PRO HA H 3.790 0.030 1 660 66 66 PRO CB C 31.969 0.300 1 661 66 66 PRO HB2 H 1.461 0.030 2 662 66 66 PRO HB3 H 1.230 0.030 2 663 66 66 PRO CG C 26.944 0.300 1 664 66 66 PRO HG2 H 1.591 0.030 2 665 66 66 PRO HG3 H 0.915 0.030 2 666 66 66 PRO CD C 51.304 0.300 1 667 66 66 PRO HD2 H 2.660 0.030 1 668 66 66 PRO HD3 H 2.660 0.030 1 669 66 66 PRO C C 178.124 0.300 1 670 67 67 GLY N N 108.949 0.300 1 671 67 67 GLY H H 8.397 0.030 1 672 67 67 GLY CA C 47.429 0.300 1 673 67 67 GLY HA2 H 3.932 0.030 2 674 67 67 GLY HA3 H 3.759 0.030 2 675 67 67 GLY C C 175.817 0.300 1 676 68 68 ILE N N 112.898 0.300 1 677 68 68 ILE H H 7.479 0.030 1 678 68 68 ILE CA C 62.473 0.300 1 679 68 68 ILE HA H 4.264 0.030 1 680 68 68 ILE CB C 38.498 0.300 1 681 68 68 ILE HB H 1.923 0.030 1 682 68 68 ILE CG1 C 27.630 0.300 1 683 68 68 ILE HG12 H 1.152 0.030 2 684 68 68 ILE HG13 H 1.465 0.030 2 685 68 68 ILE CG2 C 18.058 0.300 1 686 68 68 ILE HG2 H 0.942 0.030 1 687 68 68 ILE CD1 C 14.284 0.300 1 688 68 68 ILE HD1 H 0.886 0.030 1 689 69 69 CYS N N 116.669 0.300 1 690 69 69 CYS H H 7.631 0.030 1 691 69 69 CYS CA C 60.252 0.300 1 692 69 69 CYS HA H 4.437 0.030 1 693 69 69 CYS CB C 28.520 0.300 1 694 69 69 CYS HB2 H 3.541 0.030 2 695 69 69 CYS HB3 H 2.667 0.030 2 696 70 70 VAL N N 111.368 0.300 1 697 70 70 VAL H H 7.601 0.030 1 698 70 70 VAL CA C 58.697 0.300 1 699 70 70 VAL HA H 5.377 0.030 1 700 70 70 VAL CB C 36.676 0.300 1 701 70 70 VAL HB H 1.710 0.030 1 702 70 70 VAL CG1 C 23.287 0.300 2 703 70 70 VAL HG1 H 0.541 0.030 1 704 70 70 VAL CG2 C 19.308 0.300 2 705 70 70 VAL HG2 H 0.598 0.030 1 706 70 70 VAL C C 173.414 0.300 1 707 71 71 ALA N N 120.333 0.300 1 708 71 71 ALA H H 8.506 0.030 1 709 71 71 ALA CA C 50.279 0.300 1 710 71 71 ALA HA H 4.672 0.030 1 711 71 71 ALA CB C 22.622 0.300 1 712 71 71 ALA HB H 1.331 0.030 1 713 71 71 ALA C C 176.497 0.300 1 714 72 72 ARG N N 121.871 0.300 1 715 72 72 ARG H H 8.627 0.030 1 716 72 72 ARG CA C 56.686 0.300 1 717 72 72 ARG HA H 4.388 0.030 1 718 72 72 ARG CB C 30.432 0.300 1 719 72 72 ARG HB2 H 1.821 0.030 2 720 72 72 ARG HB3 H 1.573 0.030 2 721 72 72 ARG CG C 27.534 0.300 1 722 72 72 ARG HG2 H 1.418 0.030 2 723 72 72 ARG HG3 H 1.590 0.030 2 724 72 72 ARG CD C 43.262 0.300 1 725 72 72 ARG HD2 H 3.141 0.030 2 726 72 72 ARG C C 176.424 0.300 1 727 73 73 VAL N N 123.034 0.300 1 728 73 73 VAL H H 8.235 0.030 1 729 73 73 VAL CA C 61.251 0.300 1 730 73 73 VAL HA H 4.292 0.030 1 731 73 73 VAL CB C 34.070 0.300 1 732 73 73 VAL HB H 1.855 0.030 1 733 73 73 VAL CG1 C 21.601 0.300 2 734 73 73 VAL HG1 H 0.805 0.030 1 735 73 73 VAL CG2 C 20.394 0.300 2 736 73 73 VAL HG2 H 0.734 0.030 1 737 73 73 VAL C C 175.089 0.300 1 738 74 74 SER N N 118.602 0.300 1 739 74 74 SER H H 8.328 0.030 1 740 74 74 SER CA C 58.268 0.300 1 741 74 74 SER HA H 4.627 0.030 1 742 74 74 SER CB C 64.292 0.300 1 743 74 74 SER HB2 H 3.848 0.030 2 744 74 74 SER C C 174.725 0.300 1 745 75 75 GLY N N 110.294 0.300 1 746 75 75 GLY H H 8.375 0.030 1 747 75 75 GLY CA C 44.727 0.300 1 748 75 75 GLY HA2 H 3.917 0.030 2 749 75 75 GLY HA3 H 3.834 0.030 2 750 75 75 GLY C C 171.471 0.300 1 751 76 76 PRO CA C 63.259 0.300 1 752 76 76 PRO HA H 4.374 0.030 1 753 76 76 PRO CB C 32.056 0.300 1 754 76 76 PRO HB2 H 2.189 0.030 2 755 76 76 PRO HB3 H 1.932 0.030 2 756 76 76 PRO CG C 26.987 0.300 1 757 76 76 PRO HG2 H 1.926 0.030 2 758 76 76 PRO CD C 49.665 0.300 1 759 76 76 PRO HD2 H 3.305 0.030 2 760 76 76 PRO HD3 H 3.454 0.030 2 761 77 77 SER N N 116.182 0.300 1 762 77 77 SER H H 8.475 0.030 1 763 78 78 SER N N 117.718 0.300 1 764 78 78 SER H H 8.312 0.030 1 765 78 78 SER CA C 58.439 0.300 1 766 78 78 SER HA H 4.469 0.030 1 767 78 78 SER CB C 64.020 0.300 1 768 78 78 SER HB2 H 3.886 0.030 2 769 78 78 SER C C 173.923 0.300 1 770 79 79 GLY N N 116.800 0.300 1 771 79 79 GLY H H 8.049 0.030 1 772 79 79 GLY CA C 46.204 0.300 1 773 79 79 GLY HA2 H 3.784 0.030 2 774 79 79 GLY HA3 H 3.735 0.030 2 775 79 79 GLY C C 178.998 0.300 1 stop_ save_